data_34870 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34870 _Entry.Title ; Solution NMR structure of the novel adaptor domain TomBN91 from the Tomaymycin non-ribosomal peptide synthetase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-10-11 _Entry.Accession_date 2023-10-11 _Entry.Last_release_date 2023-11-21 _Entry.Original_release_date 2023-11-21 _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 NMR' _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 . _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 M. Karanth M. N. . . 34870 2 J. Kirkpatrick J. P. . . 34870 3 T. Carlomagno T. . . . 34870 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Adaptor protein' . 34870 'BIOSYNTHETIC PROTEIN' . 34870 NRPS . 34870 'Non-ribosomal peptide synthetase' . 34870 Tomaymycin . 34870 'novel protein' . 34870 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34870 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 371 34870 '15N chemical shifts' 88 34870 '1H chemical shifts' 620 34870 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-06-20 . original BMRB . 34870 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8QSX 'BMRB Entry Tracking System' 34870 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34870 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38896613 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The specificity of intermodular recognition in a prototypical nonribosomal peptide synthetase depends on an adaptor domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science advances' _Citation.Journal_volume 10 _Citation.Journal_issue 25 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2375-2548 _Citation.Journal_CSD 0353 _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 eadm9404 _Citation.Page_last eadm9404 _Citation.Year 2024 _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 M. Karanth M. N. . . 34870 1 2 J. Kirkpatrick J. P. . . 34870 1 3 J. Krausze J. . . . 34870 1 4 S. Schmelz S. . . . 34870 1 5 A. Scrima A. . . . 34870 1 6 T. Carlomagno T. . . . 34870 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34870 _Assembly.ID 1 _Assembly.Name TomBN91 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34870 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34870 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPMLMNSPLRTTVLDLARTT LGSADLTAHEPLADRCEHPA LLDDLATTLTAVFAVEITGA DLAAGATVADVAARMDDRRD APRIPELRAGLAPRD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9985.311 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; First four residues (GPML) in the protein are from cloning artifacts. Therefore, the appropriate residue numbering has the first residue (G) designated as residue-number '-3', so that the fifth residue has residue-number '1'. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 -3 GLY . 34870 1 2 -2 PRO . 34870 1 3 -1 MET . 34870 1 4 0 LEU . 34870 1 5 1 MET . 34870 1 6 2 ASN . 34870 1 7 3 SER . 34870 1 8 4 PRO . 34870 1 9 5 LEU . 34870 1 10 6 ARG . 34870 1 11 7 THR . 34870 1 12 8 THR . 34870 1 13 9 VAL . 34870 1 14 10 LEU . 34870 1 15 11 ASP . 34870 1 16 12 LEU . 34870 1 17 13 ALA . 34870 1 18 14 ARG . 34870 1 19 15 THR . 34870 1 20 16 THR . 34870 1 21 17 LEU . 34870 1 22 18 GLY . 34870 1 23 19 SER . 34870 1 24 20 ALA . 34870 1 25 21 ASP . 34870 1 26 22 LEU . 34870 1 27 23 THR . 34870 1 28 24 ALA . 34870 1 29 25 HIS . 34870 1 30 26 GLU . 34870 1 31 27 PRO . 34870 1 32 28 LEU . 34870 1 33 29 ALA . 34870 1 34 30 ASP . 34870 1 35 31 ARG . 34870 1 36 32 CYS . 34870 1 37 33 GLU . 34870 1 38 34 HIS . 34870 1 39 35 PRO . 34870 1 40 36 ALA . 34870 1 41 37 LEU . 34870 1 42 38 LEU . 34870 1 43 39 ASP . 34870 1 44 40 ASP . 34870 1 45 41 LEU . 34870 1 46 42 ALA . 34870 1 47 43 THR . 34870 1 48 44 THR . 34870 1 49 45 LEU . 34870 1 50 46 THR . 34870 1 51 47 ALA . 34870 1 52 48 VAL . 34870 1 53 49 PHE . 34870 1 54 50 ALA . 34870 1 55 51 VAL . 34870 1 56 52 GLU . 34870 1 57 53 ILE . 34870 1 58 54 THR . 34870 1 59 55 GLY . 34870 1 60 56 ALA . 34870 1 61 57 ASP . 34870 1 62 58 LEU . 34870 1 63 59 ALA . 34870 1 64 60 ALA . 34870 1 65 61 GLY . 34870 1 66 62 ALA . 34870 1 67 63 THR . 34870 1 68 64 VAL . 34870 1 69 65 ALA . 34870 1 70 66 ASP . 34870 1 71 67 VAL . 34870 1 72 68 ALA . 34870 1 73 69 ALA . 34870 1 74 70 ARG . 34870 1 75 71 MET . 34870 1 76 72 ASP . 34870 1 77 73 ASP . 34870 1 78 74 ARG . 34870 1 79 75 ARG . 34870 1 80 76 ASP . 34870 1 81 77 ALA . 34870 1 82 78 PRO . 34870 1 83 79 ARG . 34870 1 84 80 ILE . 34870 1 85 81 PRO . 34870 1 86 82 GLU . 34870 1 87 83 LEU . 34870 1 88 84 ARG . 34870 1 89 85 ALA . 34870 1 90 86 GLY . 34870 1 91 87 LEU . 34870 1 92 88 ALA . 34870 1 93 89 PRO . 34870 1 94 90 ARG . 34870 1 95 91 ASP . 34870 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 34870 1 . PRO 2 2 34870 1 . MET 3 3 34870 1 . LEU 4 4 34870 1 . MET 5 5 34870 1 . ASN 6 6 34870 1 . SER 7 7 34870 1 . PRO 8 8 34870 1 . LEU 9 9 34870 1 . ARG 10 10 34870 1 . THR 11 11 34870 1 . THR 12 12 34870 1 . VAL 13 13 34870 1 . LEU 14 14 34870 1 . ASP 15 15 34870 1 . LEU 16 16 34870 1 . ALA 17 17 34870 1 . ARG 18 18 34870 1 . THR 19 19 34870 1 . THR 20 20 34870 1 . LEU 21 21 34870 1 . GLY 22 22 34870 1 . SER 23 23 34870 1 . ALA 24 24 34870 1 . ASP 25 25 34870 1 . LEU 26 26 34870 1 . THR 27 27 34870 1 . ALA 28 28 34870 1 . HIS 29 29 34870 1 . GLU 30 30 34870 1 . PRO 31 31 34870 1 . LEU 32 32 34870 1 . ALA 33 33 34870 1 . ASP 34 34 34870 1 . ARG 35 35 34870 1 . CYS 36 36 34870 1 . GLU 37 37 34870 1 . HIS 38 38 34870 1 . PRO 39 39 34870 1 . ALA 40 40 34870 1 . LEU 41 41 34870 1 . LEU 42 42 34870 1 . ASP 43 43 34870 1 . ASP 44 44 34870 1 . LEU 45 45 34870 1 . ALA 46 46 34870 1 . THR 47 47 34870 1 . THR 48 48 34870 1 . LEU 49 49 34870 1 . THR 50 50 34870 1 . ALA 51 51 34870 1 . VAL 52 52 34870 1 . PHE 53 53 34870 1 . ALA 54 54 34870 1 . VAL 55 55 34870 1 . GLU 56 56 34870 1 . ILE 57 57 34870 1 . THR 58 58 34870 1 . GLY 59 59 34870 1 . ALA 60 60 34870 1 . ASP 61 61 34870 1 . LEU 62 62 34870 1 . ALA 63 63 34870 1 . ALA 64 64 34870 1 . GLY 65 65 34870 1 . ALA 66 66 34870 1 . THR 67 67 34870 1 . VAL 68 68 34870 1 . ALA 69 69 34870 1 . ASP 70 70 34870 1 . VAL 71 71 34870 1 . ALA 72 72 34870 1 . ALA 73 73 34870 1 . ARG 74 74 34870 1 . MET 75 75 34870 1 . ASP 76 76 34870 1 . ASP 77 77 34870 1 . ARG 78 78 34870 1 . ARG 79 79 34870 1 . ASP 80 80 34870 1 . ALA 81 81 34870 1 . PRO 82 82 34870 1 . ARG 83 83 34870 1 . ILE 84 84 34870 1 . PRO 85 85 34870 1 . GLU 86 86 34870 1 . LEU 87 87 34870 1 . ARG 88 88 34870 1 . ALA 89 89 34870 1 . GLY 90 90 34870 1 . LEU 91 91 34870 1 . ALA 92 92 34870 1 . PRO 93 93 34870 1 . ARG 94 94 34870 1 . ASP 95 95 34870 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34870 _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 . 68263 organism . 'Streptomyces regensis' 'Streptomyces regensis' . . Bacteria . Streptomyces regensis . FH6421 . . . . . . . . . . . 34870 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34870 _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 BL21(DE3)' . . 469008 . . . . . . . . . . . . 34870 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34870 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 500 uM [U-13C; U-15N] Non-ribosomal protein TomBN91, 50 mM sodium phosphate, 150 mM sodium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 10 % v/v [U-2H] D2O, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Non-ribosomal protein TomBN91' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . . 500 . . uM 10 . . . 34870 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM 5 . . . 34870 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 15 . . . 34870 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 34870 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' 0.002 . . . 34870 1 6 D2O [U-2H] . . . . . . 10 . . '% v/v' 0.5 . . . 34870 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34870 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 300 uM [U-15N] TomBN91, 50 mM sodium phosphate, 150 mM sodium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 10 v/v [U-2H] D2O, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM 5 . . . 34870 2 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 15 . . . 34870 2 3 TCEP 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 34870 2 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' 0.002 . . . 34870 2 5 D2O [U-2H] . . . . . . 10 . . v/v 0.5 . . . 34870 2 6 TomBN91 [U-15N] 1 $assembly 1 $entity_1 . . 300 . . uM 10 . . . 34870 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34870 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 800 uM [U-13C; U-15N] TomBN91, 50 mM sodium phosphate, 150 mM sodium chloride, 1 mM TCEP, 0.02 % w/v sodium azide, 10 % v/v [U-2H] D2O, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM 5 . . . 34870 3 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 15 . . . 34870 3 3 TCEP 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 34870 3 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' 0.002 . . . 34870 3 5 D2O [U-2H] . . . . . . 10 . . '% v/v' 0.5 . . . 34870 3 6 TomBN91 '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . . 800 . . uM 10 . . . 34870 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 34870 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 265 . mM 34870 1 pH 7.0 . pH 34870 1 pressure 1 . atm 34870 1 temperature 298 . K 34870 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34870 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34870 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34870 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34870 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34870 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34870 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34870 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34870 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34870 3 'peak picking' . 34870 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34870 _Software.ID 4 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34870 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34870 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34870 _Software.ID 5 _Software.Type . _Software.Name ARIA _Software.Version 2.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34870 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34870 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 34870 _Software.ID 6 _Software.Type . _Software.Name CNS _Software.Version 1.21 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34870 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34870 6 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 34870 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34870 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34870 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III HD' . 600 . . . 34870 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 850 . . . 34870 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34870 _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 . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34870 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34870 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34870 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34870 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34870 1 6 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34870 1 7 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34870 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34870 1 9 '3D TOCSY-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34870 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34870 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34870 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34870 1 stop_ 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 34870 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 water protons . . . . ppm 4.773 internal indirect 0.251449530 . . . . . 34870 1 H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . 34870 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . 34870 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 34870 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 34870 1 2 '2D 1H-13C HSQC' . . . 34870 1 3 '3D HNCO' . . . 34870 1 4 '3D HNCA' . . . 34870 1 5 '3D HNCACB' . . . 34870 1 6 '3D HN(COCA)CB' . . . 34870 1 7 '3D HN(CO)CA' . . . 34870 1 8 '3D HCCH-TOCSY' . . . 34870 1 9 '3D TOCSY-HSQC' . . . 34870 1 10 '3D HBHA(CO)NH' . . . 34870 1 11 '3D 1H-15N NOESY' . . . 34870 1 12 '3D 1H-13C NOESY' . . . 34870 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 2 2 PRO HA H 1 4.458 0.003 . 1 . . . . A -2 PRO HA . 34870 1 2 . 1 . 1 2 2 PRO HB2 H 1 1.907 0.005 . 2 . . . . A -2 PRO HB2 . 34870 1 3 . 1 . 1 2 2 PRO HB3 H 1 2.295 0.002 . 2 . . . . A -2 PRO HB3 . 34870 1 4 . 1 . 1 2 2 PRO HG2 H 1 2.009 0.006 . 2 . . . . A -2 PRO HG2 . 34870 1 5 . 1 . 1 2 2 PRO HG3 H 1 2.011 0.006 . 2 . . . . A -2 PRO HG3 . 34870 1 6 . 1 . 1 2 2 PRO HD2 H 1 3.573 0.006 . 2 . . . . A -2 PRO HD2 . 34870 1 7 . 1 . 1 2 2 PRO HD3 H 1 3.575 0.004 . 2 . . . . A -2 PRO HD3 . 34870 1 8 . 1 . 1 2 2 PRO C C 13 176.698 0.000 . 1 . . . . A -2 PRO C . 34870 1 9 . 1 . 1 2 2 PRO CA C 13 63.030 0.010 . 1 . . . . A -2 PRO CA . 34870 1 10 . 1 . 1 2 2 PRO CB C 13 32.297 0.068 . 1 . . . . A -2 PRO CB . 34870 1 11 . 1 . 1 2 2 PRO CG C 13 27.059 0.019 . 1 . . . . A -2 PRO CG . 34870 1 12 . 1 . 1 2 2 PRO CD C 13 49.678 0.015 . 1 . . . . A -2 PRO CD . 34870 1 13 . 1 . 1 3 3 MET H H 1 8.542 0.003 . 1 . . . . A -1 MET H . 34870 1 14 . 1 . 1 3 3 MET HA H 1 4.452 0.003 . 1 . . . . A -1 MET HA . 34870 1 15 . 1 . 1 3 3 MET HB2 H 1 2.039 0.021 . 2 . . . . A -1 MET HB2 . 34870 1 16 . 1 . 1 3 3 MET HB3 H 1 2.049 0.023 . 2 . . . . A -1 MET HB3 . 34870 1 17 . 1 . 1 3 3 MET HG2 H 1 2.581 0.021 . 2 . . . . A -1 MET HG2 . 34870 1 18 . 1 . 1 3 3 MET HG3 H 1 2.590 0.013 . 2 . . . . A -1 MET HG3 . 34870 1 19 . 1 . 1 3 3 MET HE1 H 1 0.936 0.000 . 1 . . . . A -1 MET HE1 . 34870 1 20 . 1 . 1 3 3 MET HE2 H 1 0.936 0.000 . 1 . . . . A -1 MET HE2 . 34870 1 21 . 1 . 1 3 3 MET HE3 H 1 0.936 0.000 . 1 . . . . A -1 MET HE3 . 34870 1 22 . 1 . 1 3 3 MET C C 13 175.992 0.000 . 1 . . . . A -1 MET C . 34870 1 23 . 1 . 1 3 3 MET CA C 13 55.654 0.008 . 1 . . . . A -1 MET CA . 34870 1 24 . 1 . 1 3 3 MET CB C 13 32.896 0.058 . 1 . . . . A -1 MET CB . 34870 1 25 . 1 . 1 3 3 MET CG C 13 32.565 0.586 . 1 . . . . A -1 MET CG . 34870 1 26 . 1 . 1 3 3 MET N N 15 121.079 0.031 . 1 . . . . A -1 MET N . 34870 1 27 . 1 . 1 4 4 LEU H H 1 8.346 0.001 . 1 . . . . A 0 LEU H . 34870 1 28 . 1 . 1 4 4 LEU HA H 1 4.373 0.001 . 1 . . . . A 0 LEU HA . 34870 1 29 . 1 . 1 4 4 LEU HB2 H 1 1.567 0.000 . 2 . . . . A 0 LEU HB2 . 34870 1 30 . 1 . 1 4 4 LEU HB3 H 1 1.639 0.012 . 2 . . . . A 0 LEU HB3 . 34870 1 31 . 1 . 1 4 4 LEU HD11 H 1 0.907 0.000 . 1 . . . . A 0 LEU HD11 . 34870 1 32 . 1 . 1 4 4 LEU HD12 H 1 0.907 0.000 . 1 . . . . A 0 LEU HD12 . 34870 1 33 . 1 . 1 4 4 LEU HD13 H 1 0.907 0.000 . 1 . . . . A 0 LEU HD13 . 34870 1 34 . 1 . 1 4 4 LEU HD21 H 1 0.907 0.000 . 1 . . . . A 0 LEU HD21 . 34870 1 35 . 1 . 1 4 4 LEU HD22 H 1 0.907 0.000 . 1 . . . . A 0 LEU HD22 . 34870 1 36 . 1 . 1 4 4 LEU HD23 H 1 0.907 0.000 . 1 . . . . A 0 LEU HD23 . 34870 1 37 . 1 . 1 4 4 LEU C C 13 177.211 0.000 . 1 . . . . A 0 LEU C . 34870 1 38 . 1 . 1 4 4 LEU CA C 13 55.191 0.062 . 1 . . . . A 0 LEU CA . 34870 1 39 . 1 . 1 4 4 LEU CB C 13 42.294 0.003 . 1 . . . . A 0 LEU CB . 34870 1 40 . 1 . 1 4 4 LEU N N 15 124.351 0.039 . 1 . . . . A 0 LEU N . 34870 1 41 . 1 . 1 5 5 MET H H 1 8.398 0.003 . 1 . . . . A 1 MET H . 34870 1 42 . 1 . 1 5 5 MET HA H 1 4.460 0.007 . 1 . . . . A 1 MET HA . 34870 1 43 . 1 . 1 5 5 MET HB2 H 1 2.050 0.028 . 2 . . . . A 1 MET HB2 . 34870 1 44 . 1 . 1 5 5 MET HB3 H 1 2.083 0.004 . 2 . . . . A 1 MET HB3 . 34870 1 45 . 1 . 1 5 5 MET HG2 H 1 2.550 0.029 . 2 . . . . A 1 MET HG2 . 34870 1 46 . 1 . 1 5 5 MET HG3 H 1 2.560 0.038 . 2 . . . . A 1 MET HG3 . 34870 1 47 . 1 . 1 5 5 MET HE1 H 1 0.938 0.003 . 1 . . . . A 1 MET HE1 . 34870 1 48 . 1 . 1 5 5 MET HE2 H 1 0.938 0.003 . 1 . . . . A 1 MET HE2 . 34870 1 49 . 1 . 1 5 5 MET HE3 H 1 0.938 0.003 . 1 . . . . A 1 MET HE3 . 34870 1 50 . 1 . 1 5 5 MET C C 13 175.807 0.000 . 1 . . . . A 1 MET C . 34870 1 51 . 1 . 1 5 5 MET CA C 13 55.417 0.032 . 1 . . . . A 1 MET CA . 34870 1 52 . 1 . 1 5 5 MET CB C 13 32.793 0.108 . 1 . . . . A 1 MET CB . 34870 1 53 . 1 . 1 5 5 MET CG C 13 32.564 0.588 . 1 . . . . A 1 MET CG . 34870 1 54 . 1 . 1 5 5 MET N N 15 121.129 0.021 . 1 . . . . A 1 MET N . 34870 1 55 . 1 . 1 6 6 ASN H H 1 8.440 0.003 . 1 . . . . A 2 ASN H . 34870 1 56 . 1 . 1 6 6 ASN HA H 1 4.703 0.004 . 1 . . . . A 2 ASN HA . 34870 1 57 . 1 . 1 6 6 ASN HB2 H 1 2.772 0.004 . 2 . . . . A 2 ASN HB2 . 34870 1 58 . 1 . 1 6 6 ASN HB3 H 1 2.777 0.007 . 2 . . . . A 2 ASN HB3 . 34870 1 59 . 1 . 1 6 6 ASN HD21 H 1 6.894 0.001 . 1 . . . . A 2 ASN HD21 . 34870 1 60 . 1 . 1 6 6 ASN HD22 H 1 7.648 0.001 . 1 . . . . A 2 ASN HD22 . 34870 1 61 . 1 . 1 6 6 ASN C C 13 174.781 0.000 . 1 . . . . A 2 ASN C . 34870 1 62 . 1 . 1 6 6 ASN CA C 13 53.069 0.023 . 1 . . . . A 2 ASN CA . 34870 1 63 . 1 . 1 6 6 ASN CB C 13 38.958 0.017 . 1 . . . . A 2 ASN CB . 34870 1 64 . 1 . 1 6 6 ASN N N 15 119.611 0.013 . 1 . . . . A 2 ASN N . 34870 1 65 . 1 . 1 6 6 ASN ND2 N 15 112.833 0.023 . 1 . . . . A 2 ASN ND2 . 34870 1 66 . 1 . 1 7 7 SER H H 1 8.251 0.005 . 1 . . . . A 3 SER H . 34870 1 67 . 1 . 1 7 7 SER HA H 1 4.759 0.004 . 1 . . . . A 3 SER HA . 34870 1 68 . 1 . 1 7 7 SER HB2 H 1 3.952 0.001 . 2 . . . . A 3 SER HB2 . 34870 1 69 . 1 . 1 7 7 SER HB3 H 1 3.837 0.005 . 2 . . . . A 3 SER HB3 . 34870 1 70 . 1 . 1 7 7 SER CA C 13 56.701 0.032 . 1 . . . . A 3 SER CA . 34870 1 71 . 1 . 1 7 7 SER CB C 13 63.459 0.052 . 1 . . . . A 3 SER CB . 34870 1 72 . 1 . 1 7 7 SER N N 15 116.989 0.011 . 1 . . . . A 3 SER N . 34870 1 73 . 1 . 1 8 8 PRO HA H 1 4.439 0.005 . 1 . . . . A 4 PRO HA . 34870 1 74 . 1 . 1 8 8 PRO HB2 H 1 1.956 0.012 . 2 . . . . A 4 PRO HB2 . 34870 1 75 . 1 . 1 8 8 PRO HB3 H 1 2.366 0.003 . 2 . . . . A 4 PRO HB3 . 34870 1 76 . 1 . 1 8 8 PRO HG2 H 1 2.030 0.004 . 2 . . . . A 4 PRO HG2 . 34870 1 77 . 1 . 1 8 8 PRO HG3 H 1 2.086 0.006 . 2 . . . . A 4 PRO HG3 . 34870 1 78 . 1 . 1 8 8 PRO HD2 H 1 3.848 0.003 . 1 . . . . A 4 PRO HD2 . 34870 1 79 . 1 . 1 8 8 PRO HD3 H 1 3.849 0.003 . 1 . . . . A 4 PRO HD3 . 34870 1 80 . 1 . 1 8 8 PRO C C 13 178.039 0.000 . 1 . . . . A 4 PRO C . 34870 1 81 . 1 . 1 8 8 PRO CA C 13 64.432 0.028 . 1 . . . . A 4 PRO CA . 34870 1 82 . 1 . 1 8 8 PRO CB C 13 32.012 0.012 . 1 . . . . A 4 PRO CB . 34870 1 83 . 1 . 1 8 8 PRO CG C 13 27.652 0.074 . 1 . . . . A 4 PRO CG . 34870 1 84 . 1 . 1 8 8 PRO CD C 13 50.886 0.013 . 1 . . . . A 4 PRO CD . 34870 1 85 . 1 . 1 9 9 LEU H H 1 8.228 0.003 . 1 . . . . A 5 LEU H . 34870 1 86 . 1 . 1 9 9 LEU HA H 1 4.218 0.010 . 1 . . . . A 5 LEU HA . 34870 1 87 . 1 . 1 9 9 LEU HB2 H 1 1.529 0.003 . 2 . . . . A 5 LEU HB2 . 34870 1 88 . 1 . 1 9 9 LEU HB3 H 1 1.679 0.006 . 2 . . . . A 5 LEU HB3 . 34870 1 89 . 1 . 1 9 9 LEU HG H 1 1.529 0.010 . 1 . . . . A 5 LEU HG . 34870 1 90 . 1 . 1 9 9 LEU HD11 H 1 0.814 0.010 . 2 . . . . A 5 LEU HD11 . 34870 1 91 . 1 . 1 9 9 LEU HD12 H 1 0.814 0.010 . 2 . . . . A 5 LEU HD12 . 34870 1 92 . 1 . 1 9 9 LEU HD13 H 1 0.814 0.010 . 2 . . . . A 5 LEU HD13 . 34870 1 93 . 1 . 1 9 9 LEU HD21 H 1 0.808 0.011 . 2 . . . . A 5 LEU HD21 . 34870 1 94 . 1 . 1 9 9 LEU HD22 H 1 0.808 0.011 . 2 . . . . A 5 LEU HD22 . 34870 1 95 . 1 . 1 9 9 LEU HD23 H 1 0.808 0.011 . 2 . . . . A 5 LEU HD23 . 34870 1 96 . 1 . 1 9 9 LEU C C 13 178.070 0.000 . 1 . . . . A 5 LEU C . 34870 1 97 . 1 . 1 9 9 LEU CA C 13 57.667 0.064 . 1 . . . . A 5 LEU CA . 34870 1 98 . 1 . 1 9 9 LEU CB C 13 42.106 0.056 . 1 . . . . A 5 LEU CB . 34870 1 99 . 1 . 1 9 9 LEU CG C 13 27.477 0.027 . 1 . . . . A 5 LEU CG . 34870 1 100 . 1 . 1 9 9 LEU CD1 C 13 24.938 0.119 . 2 . . . . A 5 LEU CD1 . 34870 1 101 . 1 . 1 9 9 LEU CD2 C 13 25.008 0.061 . 2 . . . . A 5 LEU CD2 . 34870 1 102 . 1 . 1 9 9 LEU N N 15 121.239 0.046 . 1 . . . . A 5 LEU N . 34870 1 103 . 1 . 1 10 10 ARG H H 1 8.179 0.005 . 1 . . . . A 6 ARG H . 34870 1 104 . 1 . 1 10 10 ARG HA H 1 3.689 0.011 . 1 . . . . A 6 ARG HA . 34870 1 105 . 1 . 1 10 10 ARG HB2 H 1 1.886 0.004 . 1 . . . . A 6 ARG HB2 . 34870 1 106 . 1 . 1 10 10 ARG HB3 H 1 1.885 0.005 . 1 . . . . A 6 ARG HB3 . 34870 1 107 . 1 . 1 10 10 ARG HG2 H 1 1.552 0.010 . 2 . . . . A 6 ARG HG2 . 34870 1 108 . 1 . 1 10 10 ARG HG3 H 1 1.456 0.016 . 2 . . . . A 6 ARG HG3 . 34870 1 109 . 1 . 1 10 10 ARG HD2 H 1 3.125 0.004 . 1 . . . . A 6 ARG HD2 . 34870 1 110 . 1 . 1 10 10 ARG HD3 H 1 3.124 0.004 . 1 . . . . A 6 ARG HD3 . 34870 1 111 . 1 . 1 10 10 ARG C C 13 177.342 0.000 . 1 . . . . A 6 ARG C . 34870 1 112 . 1 . 1 10 10 ARG CA C 13 59.761 0.032 . 1 . . . . A 6 ARG CA . 34870 1 113 . 1 . 1 10 10 ARG CB C 13 30.331 0.053 . 1 . . . . A 6 ARG CB . 34870 1 114 . 1 . 1 10 10 ARG CG C 13 27.674 0.031 . 1 . . . . A 6 ARG CG . 34870 1 115 . 1 . 1 10 10 ARG CD C 13 43.721 0.055 . 1 . . . . A 6 ARG CD . 34870 1 116 . 1 . 1 10 10 ARG N N 15 119.304 0.032 . 1 . . . . A 6 ARG N . 34870 1 117 . 1 . 1 11 11 THR H H 1 7.944 0.011 . 1 . . . . A 7 THR H . 34870 1 118 . 1 . 1 11 11 THR HA H 1 3.993 0.012 . 1 . . . . A 7 THR HA . 34870 1 119 . 1 . 1 11 11 THR HB H 1 4.241 0.006 . 1 . . . . A 7 THR HB . 34870 1 120 . 1 . 1 11 11 THR HG21 H 1 1.263 0.006 . 1 . . . . A 7 THR HG21 . 34870 1 121 . 1 . 1 11 11 THR HG22 H 1 1.263 0.006 . 1 . . . . A 7 THR HG22 . 34870 1 122 . 1 . 1 11 11 THR HG23 H 1 1.263 0.006 . 1 . . . . A 7 THR HG23 . 34870 1 123 . 1 . 1 11 11 THR C C 13 175.438 0.000 . 1 . . . . A 7 THR C . 34870 1 124 . 1 . 1 11 11 THR CA C 13 65.650 0.037 . 1 . . . . A 7 THR CA . 34870 1 125 . 1 . 1 11 11 THR CB C 13 68.857 0.033 . 1 . . . . A 7 THR CB . 34870 1 126 . 1 . 1 11 11 THR CG2 C 13 21.886 0.107 . 1 . . . . A 7 THR CG2 . 34870 1 127 . 1 . 1 11 11 THR N N 15 114.489 0.047 . 1 . . . . A 7 THR N . 34870 1 128 . 1 . 1 12 12 THR H H 1 8.073 0.006 . 1 . . . . A 8 THR H . 34870 1 129 . 1 . 1 12 12 THR HA H 1 4.217 0.011 . 1 . . . . A 8 THR HA . 34870 1 130 . 1 . 1 12 12 THR HB H 1 4.431 0.006 . 1 . . . . A 8 THR HB . 34870 1 131 . 1 . 1 12 12 THR HG21 H 1 1.328 0.008 . 1 . . . . A 8 THR HG21 . 34870 1 132 . 1 . 1 12 12 THR HG22 H 1 1.328 0.008 . 1 . . . . A 8 THR HG22 . 34870 1 133 . 1 . 1 12 12 THR HG23 H 1 1.328 0.008 . 1 . . . . A 8 THR HG23 . 34870 1 134 . 1 . 1 12 12 THR C C 13 176.455 0.000 . 1 . . . . A 8 THR C . 34870 1 135 . 1 . 1 12 12 THR CA C 13 65.834 0.053 . 1 . . . . A 8 THR CA . 34870 1 136 . 1 . 1 12 12 THR CB C 13 69.271 0.048 . 1 . . . . A 8 THR CB . 34870 1 137 . 1 . 1 12 12 THR CG2 C 13 21.910 0.021 . 1 . . . . A 8 THR CG2 . 34870 1 138 . 1 . 1 12 12 THR N N 15 118.368 0.013 . 1 . . . . A 8 THR N . 34870 1 139 . 1 . 1 13 13 VAL H H 1 8.404 0.004 . 1 . . . . A 9 VAL H . 34870 1 140 . 1 . 1 13 13 VAL HA H 1 3.515 0.003 . 1 . . . . A 9 VAL HA . 34870 1 141 . 1 . 1 13 13 VAL HB H 1 1.982 0.005 . 1 . . . . A 9 VAL HB . 34870 1 142 . 1 . 1 13 13 VAL HG11 H 1 0.892 0.009 . 2 . . . . A 9 VAL HG11 . 34870 1 143 . 1 . 1 13 13 VAL HG12 H 1 0.892 0.009 . 2 . . . . A 9 VAL HG12 . 34870 1 144 . 1 . 1 13 13 VAL HG13 H 1 0.892 0.009 . 2 . . . . A 9 VAL HG13 . 34870 1 145 . 1 . 1 13 13 VAL HG21 H 1 0.795 0.009 . 2 . . . . A 9 VAL HG21 . 34870 1 146 . 1 . 1 13 13 VAL HG22 H 1 0.795 0.009 . 2 . . . . A 9 VAL HG22 . 34870 1 147 . 1 . 1 13 13 VAL HG23 H 1 0.795 0.009 . 2 . . . . A 9 VAL HG23 . 34870 1 148 . 1 . 1 13 13 VAL C C 13 177.004 0.000 . 1 . . . . A 9 VAL C . 34870 1 149 . 1 . 1 13 13 VAL CA C 13 67.407 0.027 . 1 . . . . A 9 VAL CA . 34870 1 150 . 1 . 1 13 13 VAL CB C 13 30.920 0.041 . 1 . . . . A 9 VAL CB . 34870 1 151 . 1 . 1 13 13 VAL CG1 C 13 22.060 0.018 . 2 . . . . A 9 VAL CG1 . 34870 1 152 . 1 . 1 13 13 VAL CG2 C 13 23.551 0.009 . 2 . . . . A 9 VAL CG2 . 34870 1 153 . 1 . 1 13 13 VAL N N 15 120.951 0.027 . 1 . . . . A 9 VAL N . 34870 1 154 . 1 . 1 14 14 LEU H H 1 8.322 0.006 . 1 . . . . A 10 LEU H . 34870 1 155 . 1 . 1 14 14 LEU HA H 1 4.000 0.010 . 1 . . . . A 10 LEU HA . 34870 1 156 . 1 . 1 14 14 LEU HB2 H 1 1.417 0.008 . 2 . . . . A 10 LEU HB2 . 34870 1 157 . 1 . 1 14 14 LEU HB3 H 1 2.113 0.004 . 2 . . . . A 10 LEU HB3 . 34870 1 158 . 1 . 1 14 14 LEU HG H 1 1.410 0.007 . 1 . . . . A 10 LEU HG . 34870 1 159 . 1 . 1 14 14 LEU HD11 H 1 0.755 0.009 . 2 . . . . A 10 LEU HD11 . 34870 1 160 . 1 . 1 14 14 LEU HD12 H 1 0.755 0.009 . 2 . . . . A 10 LEU HD12 . 34870 1 161 . 1 . 1 14 14 LEU HD13 H 1 0.755 0.009 . 2 . . . . A 10 LEU HD13 . 34870 1 162 . 1 . 1 14 14 LEU HD21 H 1 0.940 0.005 . 2 . . . . A 10 LEU HD21 . 34870 1 163 . 1 . 1 14 14 LEU HD22 H 1 0.940 0.005 . 2 . . . . A 10 LEU HD22 . 34870 1 164 . 1 . 1 14 14 LEU HD23 H 1 0.940 0.005 . 2 . . . . A 10 LEU HD23 . 34870 1 165 . 1 . 1 14 14 LEU C C 13 177.989 0.000 . 1 . . . . A 10 LEU C . 34870 1 166 . 1 . 1 14 14 LEU CA C 13 58.441 0.011 . 1 . . . . A 10 LEU CA . 34870 1 167 . 1 . 1 14 14 LEU CB C 13 41.809 0.025 . 1 . . . . A 10 LEU CB . 34870 1 168 . 1 . 1 14 14 LEU CG C 13 27.152 0.020 . 1 . . . . A 10 LEU CG . 34870 1 169 . 1 . 1 14 14 LEU CD1 C 13 23.249 0.010 . 2 . . . . A 10 LEU CD1 . 34870 1 170 . 1 . 1 14 14 LEU CD2 C 13 25.980 0.024 . 2 . . . . A 10 LEU CD2 . 34870 1 171 . 1 . 1 14 14 LEU N N 15 120.309 0.026 . 1 . . . . A 10 LEU N . 34870 1 172 . 1 . 1 15 15 ASP H H 1 8.222 0.004 . 1 . . . . A 11 ASP H . 34870 1 173 . 1 . 1 15 15 ASP HA H 1 4.404 0.003 . 1 . . . . A 11 ASP HA . 34870 1 174 . 1 . 1 15 15 ASP HB2 H 1 2.729 0.003 . 2 . . . . A 11 ASP HB2 . 34870 1 175 . 1 . 1 15 15 ASP HB3 H 1 2.831 0.002 . 2 . . . . A 11 ASP HB3 . 34870 1 176 . 1 . 1 15 15 ASP C C 13 179.363 0.000 . 1 . . . . A 11 ASP C . 34870 1 177 . 1 . 1 15 15 ASP CA C 13 57.995 0.048 . 1 . . . . A 11 ASP CA . 34870 1 178 . 1 . 1 15 15 ASP CB C 13 40.796 0.031 . 1 . . . . A 11 ASP CB . 34870 1 179 . 1 . 1 15 15 ASP N N 15 119.200 0.014 . 1 . . . . A 11 ASP N . 34870 1 180 . 1 . 1 16 16 LEU H H 1 8.066 0.003 . 1 . . . . A 12 LEU H . 34870 1 181 . 1 . 1 16 16 LEU HA H 1 4.181 0.005 . 1 . . . . A 12 LEU HA . 34870 1 182 . 1 . 1 16 16 LEU HB2 H 1 1.353 0.009 . 2 . . . . A 12 LEU HB2 . 34870 1 183 . 1 . 1 16 16 LEU HB3 H 1 1.970 0.003 . 2 . . . . A 12 LEU HB3 . 34870 1 184 . 1 . 1 16 16 LEU HG H 1 1.855 0.002 . 1 . . . . A 12 LEU HG . 34870 1 185 . 1 . 1 16 16 LEU HD11 H 1 0.854 0.010 . 2 . . . . A 12 LEU HD11 . 34870 1 186 . 1 . 1 16 16 LEU HD12 H 1 0.854 0.010 . 2 . . . . A 12 LEU HD12 . 34870 1 187 . 1 . 1 16 16 LEU HD13 H 1 0.854 0.010 . 2 . . . . A 12 LEU HD13 . 34870 1 188 . 1 . 1 16 16 LEU HD21 H 1 0.877 0.005 . 2 . . . . A 12 LEU HD21 . 34870 1 189 . 1 . 1 16 16 LEU HD22 H 1 0.877 0.005 . 2 . . . . A 12 LEU HD22 . 34870 1 190 . 1 . 1 16 16 LEU HD23 H 1 0.877 0.005 . 2 . . . . A 12 LEU HD23 . 34870 1 191 . 1 . 1 16 16 LEU C C 13 180.310 0.000 . 1 . . . . A 12 LEU C . 34870 1 192 . 1 . 1 16 16 LEU CA C 13 57.760 0.035 . 1 . . . . A 12 LEU CA . 34870 1 193 . 1 . 1 16 16 LEU CB C 13 42.328 0.019 . 1 . . . . A 12 LEU CB . 34870 1 194 . 1 . 1 16 16 LEU CG C 13 26.875 0.022 . 1 . . . . A 12 LEU CG . 34870 1 195 . 1 . 1 16 16 LEU CD1 C 13 23.345 0.039 . 2 . . . . A 12 LEU CD1 . 34870 1 196 . 1 . 1 16 16 LEU CD2 C 13 25.874 0.041 . 2 . . . . A 12 LEU CD2 . 34870 1 197 . 1 . 1 16 16 LEU N N 15 120.269 0.071 . 1 . . . . A 12 LEU N . 34870 1 198 . 1 . 1 17 17 ALA H H 1 8.999 0.004 . 1 . . . . A 13 ALA H . 34870 1 199 . 1 . 1 17 17 ALA HA H 1 4.021 0.005 . 1 . . . . A 13 ALA HA . 34870 1 200 . 1 . 1 17 17 ALA HB1 H 1 1.361 0.004 . 1 . . . . A 13 ALA HB1 . 34870 1 201 . 1 . 1 17 17 ALA HB2 H 1 1.361 0.004 . 1 . . . . A 13 ALA HB2 . 34870 1 202 . 1 . 1 17 17 ALA HB3 H 1 1.361 0.004 . 1 . . . . A 13 ALA HB3 . 34870 1 203 . 1 . 1 17 17 ALA C C 13 178.500 0.000 . 1 . . . . A 13 ALA C . 34870 1 204 . 1 . 1 17 17 ALA CA C 13 55.882 0.014 . 1 . . . . A 13 ALA CA . 34870 1 205 . 1 . 1 17 17 ALA CB C 13 18.677 0.020 . 1 . . . . A 13 ALA CB . 34870 1 206 . 1 . 1 17 17 ALA N N 15 124.838 0.091 . 1 . . . . A 13 ALA N . 34870 1 207 . 1 . 1 18 18 ARG H H 1 8.932 0.006 . 1 . . . . A 14 ARG H . 34870 1 208 . 1 . 1 18 18 ARG HA H 1 3.896 0.005 . 1 . . . . A 14 ARG HA . 34870 1 209 . 1 . 1 18 18 ARG HB2 H 1 1.859 0.005 . 2 . . . . A 14 ARG HB2 . 34870 1 210 . 1 . 1 18 18 ARG HB3 H 1 2.069 0.003 . 2 . . . . A 14 ARG HB3 . 34870 1 211 . 1 . 1 18 18 ARG HG2 H 1 1.957 0.004 . 2 . . . . A 14 ARG HG2 . 34870 1 212 . 1 . 1 18 18 ARG HG3 H 1 2.070 0.005 . 2 . . . . A 14 ARG HG3 . 34870 1 213 . 1 . 1 18 18 ARG HD2 H 1 3.130 0.013 . 2 . . . . A 14 ARG HD2 . 34870 1 214 . 1 . 1 18 18 ARG HD3 H 1 3.143 0.014 . 2 . . . . A 14 ARG HD3 . 34870 1 215 . 1 . 1 18 18 ARG C C 13 180.318 0.000 . 1 . . . . A 14 ARG C . 34870 1 216 . 1 . 1 18 18 ARG CA C 13 60.449 0.013 . 1 . . . . A 14 ARG CA . 34870 1 217 . 1 . 1 18 18 ARG CB C 13 31.480 0.051 . 1 . . . . A 14 ARG CB . 34870 1 218 . 1 . 1 18 18 ARG CG C 13 29.161 0.043 . 1 . . . . A 14 ARG CG . 34870 1 219 . 1 . 1 18 18 ARG CD C 13 44.442 0.011 . 1 . . . . A 14 ARG CD . 34870 1 220 . 1 . 1 18 18 ARG N N 15 118.073 0.043 . 1 . . . . A 14 ARG N . 34870 1 221 . 1 . 1 19 19 THR H H 1 8.112 0.004 . 1 . . . . A 15 THR H . 34870 1 222 . 1 . 1 19 19 THR HA H 1 3.981 0.010 . 1 . . . . A 15 THR HA . 34870 1 223 . 1 . 1 19 19 THR HB H 1 4.230 0.006 . 1 . . . . A 15 THR HB . 34870 1 224 . 1 . 1 19 19 THR HG21 H 1 1.263 0.010 . 1 . . . . A 15 THR HG21 . 34870 1 225 . 1 . 1 19 19 THR HG22 H 1 1.263 0.010 . 1 . . . . A 15 THR HG22 . 34870 1 226 . 1 . 1 19 19 THR HG23 H 1 1.263 0.010 . 1 . . . . A 15 THR HG23 . 34870 1 227 . 1 . 1 19 19 THR C C 13 176.998 0.000 . 1 . . . . A 15 THR C . 34870 1 228 . 1 . 1 19 19 THR CA C 13 66.000 0.025 . 1 . . . . A 15 THR CA . 34870 1 229 . 1 . 1 19 19 THR CB C 13 68.912 0.026 . 1 . . . . A 15 THR CB . 34870 1 230 . 1 . 1 19 19 THR CG2 C 13 21.780 0.055 . 1 . . . . A 15 THR CG2 . 34870 1 231 . 1 . 1 19 19 THR N N 15 113.668 0.032 . 1 . . . . A 15 THR N . 34870 1 232 . 1 . 1 20 20 THR H H 1 8.321 0.004 . 1 . . . . A 16 THR H . 34870 1 233 . 1 . 1 20 20 THR HA H 1 3.971 0.006 . 1 . . . . A 16 THR HA . 34870 1 234 . 1 . 1 20 20 THR HB H 1 4.028 0.007 . 1 . . . . A 16 THR HB . 34870 1 235 . 1 . 1 20 20 THR HG21 H 1 1.218 0.006 . 1 . . . . A 16 THR HG21 . 34870 1 236 . 1 . 1 20 20 THR HG22 H 1 1.218 0.006 . 1 . . . . A 16 THR HG22 . 34870 1 237 . 1 . 1 20 20 THR HG23 H 1 1.218 0.006 . 1 . . . . A 16 THR HG23 . 34870 1 238 . 1 . 1 20 20 THR C C 13 175.580 0.000 . 1 . . . . A 16 THR C . 34870 1 239 . 1 . 1 20 20 THR CA C 13 67.233 0.034 . 1 . . . . A 16 THR CA . 34870 1 240 . 1 . 1 20 20 THR CB C 13 68.831 0.022 . 1 . . . . A 16 THR CB . 34870 1 241 . 1 . 1 20 20 THR CG2 C 13 21.576 0.021 . 1 . . . . A 16 THR CG2 . 34870 1 242 . 1 . 1 20 20 THR N N 15 118.694 0.030 . 1 . . . . A 16 THR N . 34870 1 243 . 1 . 1 21 21 LEU H H 1 8.359 0.004 . 1 . . . . A 17 LEU H . 34870 1 244 . 1 . 1 21 21 LEU HA H 1 4.304 0.003 . 1 . . . . A 17 LEU HA . 34870 1 245 . 1 . 1 21 21 LEU HB2 H 1 1.695 0.007 . 2 . . . . A 17 LEU HB2 . 34870 1 246 . 1 . 1 21 21 LEU HB3 H 1 1.844 0.014 . 2 . . . . A 17 LEU HB3 . 34870 1 247 . 1 . 1 21 21 LEU HG H 1 1.893 0.004 . 1 . . . . A 17 LEU HG . 34870 1 248 . 1 . 1 21 21 LEU HD11 H 1 0.802 0.005 . 2 . . . . A 17 LEU HD11 . 34870 1 249 . 1 . 1 21 21 LEU HD12 H 1 0.802 0.005 . 2 . . . . A 17 LEU HD12 . 34870 1 250 . 1 . 1 21 21 LEU HD13 H 1 0.802 0.005 . 2 . . . . A 17 LEU HD13 . 34870 1 251 . 1 . 1 21 21 LEU HD21 H 1 0.816 0.004 . 2 . . . . A 17 LEU HD21 . 34870 1 252 . 1 . 1 21 21 LEU HD22 H 1 0.816 0.004 . 2 . . . . A 17 LEU HD22 . 34870 1 253 . 1 . 1 21 21 LEU HD23 H 1 0.816 0.004 . 2 . . . . A 17 LEU HD23 . 34870 1 254 . 1 . 1 21 21 LEU C C 13 177.541 0.000 . 1 . . . . A 17 LEU C . 34870 1 255 . 1 . 1 21 21 LEU CA C 13 55.966 0.070 . 1 . . . . A 17 LEU CA . 34870 1 256 . 1 . 1 21 21 LEU CB C 13 40.468 0.023 . 1 . . . . A 17 LEU CB . 34870 1 257 . 1 . 1 21 21 LEU CG C 13 28.539 0.024 . 1 . . . . A 17 LEU CG . 34870 1 258 . 1 . 1 21 21 LEU CD1 C 13 24.096 0.010 . 2 . . . . A 17 LEU CD1 . 34870 1 259 . 1 . 1 21 21 LEU CD2 C 13 25.344 0.018 . 2 . . . . A 17 LEU CD2 . 34870 1 260 . 1 . 1 21 21 LEU N N 15 116.744 0.040 . 1 . . . . A 17 LEU N . 34870 1 261 . 1 . 1 22 22 GLY H H 1 7.536 0.003 . 1 . . . . A 18 GLY H . 34870 1 262 . 1 . 1 22 22 GLY HA2 H 1 3.860 0.010 . 2 . . . . A 18 GLY HA2 . 34870 1 263 . 1 . 1 22 22 GLY HA3 H 1 4.012 0.003 . 2 . . . . A 18 GLY HA3 . 34870 1 264 . 1 . 1 22 22 GLY C C 13 174.350 0.000 . 1 . . . . A 18 GLY C . 34870 1 265 . 1 . 1 22 22 GLY CA C 13 46.729 0.011 . 1 . . . . A 18 GLY CA . 34870 1 266 . 1 . 1 22 22 GLY N N 15 108.312 0.042 . 1 . . . . A 18 GLY N . 34870 1 267 . 1 . 1 23 23 SER H H 1 7.714 0.003 . 1 . . . . A 19 SER H . 34870 1 268 . 1 . 1 23 23 SER HA H 1 4.797 0.013 . 1 . . . . A 19 SER HA . 34870 1 269 . 1 . 1 23 23 SER HB2 H 1 3.646 0.012 . 2 . . . . A 19 SER HB2 . 34870 1 270 . 1 . 1 23 23 SER HB3 H 1 3.663 0.006 . 2 . . . . A 19 SER HB3 . 34870 1 271 . 1 . 1 23 23 SER C C 13 174.094 0.000 . 1 . . . . A 19 SER C . 34870 1 272 . 1 . 1 23 23 SER CA C 13 55.632 0.043 . 1 . . . . A 19 SER CA . 34870 1 273 . 1 . 1 23 23 SER CB C 13 64.495 0.025 . 1 . . . . A 19 SER CB . 34870 1 274 . 1 . 1 23 23 SER N N 15 113.666 0.033 . 1 . . . . A 19 SER N . 34870 1 275 . 1 . 1 24 24 ALA H H 1 8.744 0.003 . 1 . . . . A 20 ALA H . 34870 1 276 . 1 . 1 24 24 ALA HA H 1 4.033 0.007 . 1 . . . . A 20 ALA HA . 34870 1 277 . 1 . 1 24 24 ALA HB1 H 1 1.390 0.005 . 1 . . . . A 20 ALA HB1 . 34870 1 278 . 1 . 1 24 24 ALA HB2 H 1 1.390 0.005 . 1 . . . . A 20 ALA HB2 . 34870 1 279 . 1 . 1 24 24 ALA HB3 H 1 1.390 0.005 . 1 . . . . A 20 ALA HB3 . 34870 1 280 . 1 . 1 24 24 ALA C C 13 177.420 0.000 . 1 . . . . A 20 ALA C . 34870 1 281 . 1 . 1 24 24 ALA CA C 13 54.399 0.016 . 1 . . . . A 20 ALA CA . 34870 1 282 . 1 . 1 24 24 ALA CB C 13 18.735 0.012 . 1 . . . . A 20 ALA CB . 34870 1 283 . 1 . 1 24 24 ALA N N 15 127.840 0.036 . 1 . . . . A 20 ALA N . 34870 1 284 . 1 . 1 25 25 ASP H H 1 8.099 0.002 . 1 . . . . A 21 ASP H . 34870 1 285 . 1 . 1 25 25 ASP HA H 1 4.518 0.003 . 1 . . . . A 21 ASP HA . 34870 1 286 . 1 . 1 25 25 ASP HB2 H 1 2.580 0.005 . 2 . . . . A 21 ASP HB2 . 34870 1 287 . 1 . 1 25 25 ASP HB3 H 1 2.749 0.001 . 2 . . . . A 21 ASP HB3 . 34870 1 288 . 1 . 1 25 25 ASP C C 13 176.486 0.000 . 1 . . . . A 21 ASP C . 34870 1 289 . 1 . 1 25 25 ASP CA C 13 52.779 0.014 . 1 . . . . A 21 ASP CA . 34870 1 290 . 1 . 1 25 25 ASP CB C 13 40.681 0.039 . 1 . . . . A 21 ASP CB . 34870 1 291 . 1 . 1 25 25 ASP N N 15 112.291 0.036 . 1 . . . . A 21 ASP N . 34870 1 292 . 1 . 1 26 26 LEU H H 1 6.914 0.002 . 1 . . . . A 22 LEU H . 34870 1 293 . 1 . 1 26 26 LEU HA H 1 4.163 0.003 . 1 . . . . A 22 LEU HA . 34870 1 294 . 1 . 1 26 26 LEU HB2 H 1 1.508 0.003 . 2 . . . . A 22 LEU HB2 . 34870 1 295 . 1 . 1 26 26 LEU HB3 H 1 1.670 0.004 . 2 . . . . A 22 LEU HB3 . 34870 1 296 . 1 . 1 26 26 LEU HG H 1 1.853 0.005 . 1 . . . . A 22 LEU HG . 34870 1 297 . 1 . 1 26 26 LEU HD11 H 1 0.759 0.006 . 2 . . . . A 22 LEU HD11 . 34870 1 298 . 1 . 1 26 26 LEU HD12 H 1 0.759 0.006 . 2 . . . . A 22 LEU HD12 . 34870 1 299 . 1 . 1 26 26 LEU HD13 H 1 0.759 0.006 . 2 . . . . A 22 LEU HD13 . 34870 1 300 . 1 . 1 26 26 LEU HD21 H 1 0.908 0.002 . 2 . . . . A 22 LEU HD21 . 34870 1 301 . 1 . 1 26 26 LEU HD22 H 1 0.908 0.002 . 2 . . . . A 22 LEU HD22 . 34870 1 302 . 1 . 1 26 26 LEU HD23 H 1 0.908 0.002 . 2 . . . . A 22 LEU HD23 . 34870 1 303 . 1 . 1 26 26 LEU C C 13 176.302 0.000 . 1 . . . . A 22 LEU C . 34870 1 304 . 1 . 1 26 26 LEU CA C 13 56.325 0.063 . 1 . . . . A 22 LEU CA . 34870 1 305 . 1 . 1 26 26 LEU CB C 13 43.955 0.022 . 1 . . . . A 22 LEU CB . 34870 1 306 . 1 . 1 26 26 LEU CG C 13 25.922 0.056 . 1 . . . . A 22 LEU CG . 34870 1 307 . 1 . 1 26 26 LEU CD1 C 13 27.414 0.015 . 2 . . . . A 22 LEU CD1 . 34870 1 308 . 1 . 1 26 26 LEU CD2 C 13 24.187 0.014 . 2 . . . . A 22 LEU CD2 . 34870 1 309 . 1 . 1 26 26 LEU N N 15 122.550 0.078 . 1 . . . . A 22 LEU N . 34870 1 310 . 1 . 1 27 27 THR H H 1 8.783 0.004 . 1 . . . . A 23 THR H . 34870 1 311 . 1 . 1 27 27 THR HA H 1 4.847 0.002 . 1 . . . . A 23 THR HA . 34870 1 312 . 1 . 1 27 27 THR HB H 1 4.575 0.002 . 1 . . . . A 23 THR HB . 34870 1 313 . 1 . 1 27 27 THR HG21 H 1 1.330 0.002 . 1 . . . . A 23 THR HG21 . 34870 1 314 . 1 . 1 27 27 THR HG22 H 1 1.330 0.002 . 1 . . . . A 23 THR HG22 . 34870 1 315 . 1 . 1 27 27 THR HG23 H 1 1.330 0.002 . 1 . . . . A 23 THR HG23 . 34870 1 316 . 1 . 1 27 27 THR C C 13 175.711 0.000 . 1 . . . . A 23 THR C . 34870 1 317 . 1 . 1 27 27 THR CA C 13 60.187 0.032 . 1 . . . . A 23 THR CA . 34870 1 318 . 1 . 1 27 27 THR CB C 13 71.782 0.024 . 1 . . . . A 23 THR CB . 34870 1 319 . 1 . 1 27 27 THR CG2 C 13 21.553 0.020 . 1 . . . . A 23 THR CG2 . 34870 1 320 . 1 . 1 27 27 THR N N 15 118.185 0.040 . 1 . . . . A 23 THR N . 34870 1 321 . 1 . 1 28 28 ALA H H 1 8.973 0.005 . 1 . . . . A 24 ALA H . 34870 1 322 . 1 . 1 28 28 ALA HA H 1 3.971 0.009 . 1 . . . . A 24 ALA HA . 34870 1 323 . 1 . 1 28 28 ALA HB1 H 1 1.112 0.005 . 1 . . . . A 24 ALA HB1 . 34870 1 324 . 1 . 1 28 28 ALA HB2 H 1 1.112 0.005 . 1 . . . . A 24 ALA HB2 . 34870 1 325 . 1 . 1 28 28 ALA HB3 H 1 1.112 0.005 . 1 . . . . A 24 ALA HB3 . 34870 1 326 . 1 . 1 28 28 ALA C C 13 175.437 0.000 . 1 . . . . A 24 ALA C . 34870 1 327 . 1 . 1 28 28 ALA CA C 13 53.721 0.007 . 1 . . . . A 24 ALA CA . 34870 1 328 . 1 . 1 28 28 ALA CB C 13 18.407 0.011 . 1 . . . . A 24 ALA CB . 34870 1 329 . 1 . 1 28 28 ALA N N 15 118.312 0.040 . 1 . . . . A 24 ALA N . 34870 1 330 . 1 . 1 29 29 HIS H H 1 7.429 0.002 . 1 . . . . A 25 HIS H . 34870 1 331 . 1 . 1 29 29 HIS HA H 1 4.903 0.003 . 1 . . . . A 25 HIS HA . 34870 1 332 . 1 . 1 29 29 HIS HB2 H 1 2.864 0.005 . 2 . . . . A 25 HIS HB2 . 34870 1 333 . 1 . 1 29 29 HIS HB3 H 1 3.375 0.003 . 2 . . . . A 25 HIS HB3 . 34870 1 334 . 1 . 1 29 29 HIS HD2 H 1 7.709 0.000 . 1 . . . . A 25 HIS HD2 . 34870 1 335 . 1 . 1 29 29 HIS C C 13 174.177 0.000 . 1 . . . . A 25 HIS C . 34870 1 336 . 1 . 1 29 29 HIS CA C 13 55.306 0.022 . 1 . . . . A 25 HIS CA . 34870 1 337 . 1 . 1 29 29 HIS CB C 13 31.004 0.013 . 1 . . . . A 25 HIS CB . 34870 1 338 . 1 . 1 29 29 HIS N N 15 110.513 0.026 . 1 . . . . A 25 HIS N . 34870 1 339 . 1 . 1 30 30 GLU H H 1 6.999 0.002 . 1 . . . . A 26 GLU H . 34870 1 340 . 1 . 1 30 30 GLU HA H 1 4.959 0.007 . 1 . . . . A 26 GLU HA . 34870 1 341 . 1 . 1 30 30 GLU HB2 H 1 1.812 0.005 . 2 . . . . A 26 GLU HB2 . 34870 1 342 . 1 . 1 30 30 GLU HB3 H 1 2.121 0.006 . 2 . . . . A 26 GLU HB3 . 34870 1 343 . 1 . 1 30 30 GLU HG2 H 1 2.053 0.005 . 2 . . . . A 26 GLU HG2 . 34870 1 344 . 1 . 1 30 30 GLU HG3 H 1 2.241 0.006 . 2 . . . . A 26 GLU HG3 . 34870 1 345 . 1 . 1 30 30 GLU CA C 13 52.827 0.018 . 1 . . . . A 26 GLU CA . 34870 1 346 . 1 . 1 30 30 GLU CB C 13 31.086 0.034 . 1 . . . . A 26 GLU CB . 34870 1 347 . 1 . 1 30 30 GLU CG C 13 36.169 0.055 . 1 . . . . A 26 GLU CG . 34870 1 348 . 1 . 1 30 30 GLU N N 15 120.022 0.028 . 1 . . . . A 26 GLU N . 34870 1 349 . 1 . 1 31 31 PRO HA H 1 4.065 0.004 . 1 . . . . A 27 PRO HA . 34870 1 350 . 1 . 1 31 31 PRO HB2 H 1 1.884 0.008 . 2 . . . . A 27 PRO HB2 . 34870 1 351 . 1 . 1 31 31 PRO HB3 H 1 2.103 0.005 . 2 . . . . A 27 PRO HB3 . 34870 1 352 . 1 . 1 31 31 PRO HG2 H 1 1.943 0.003 . 2 . . . . A 27 PRO HG2 . 34870 1 353 . 1 . 1 31 31 PRO HG3 H 1 2.208 0.002 . 2 . . . . A 27 PRO HG3 . 34870 1 354 . 1 . 1 31 31 PRO HD2 H 1 3.695 0.006 . 2 . . . . A 27 PRO HD2 . 34870 1 355 . 1 . 1 31 31 PRO HD3 H 1 3.932 0.006 . 2 . . . . A 27 PRO HD3 . 34870 1 356 . 1 . 1 31 31 PRO C C 13 178.112 0.000 . 1 . . . . A 27 PRO C . 34870 1 357 . 1 . 1 31 31 PRO CA C 13 63.189 0.018 . 1 . . . . A 27 PRO CA . 34870 1 358 . 1 . 1 31 31 PRO CB C 13 31.585 0.027 . 1 . . . . A 27 PRO CB . 34870 1 359 . 1 . 1 31 31 PRO CG C 13 28.271 0.007 . 1 . . . . A 27 PRO CG . 34870 1 360 . 1 . 1 31 31 PRO CD C 13 50.617 0.016 . 1 . . . . A 27 PRO CD . 34870 1 361 . 1 . 1 32 32 LEU H H 1 8.366 0.002 . 1 . . . . A 28 LEU H . 34870 1 362 . 1 . 1 32 32 LEU HA H 1 3.730 0.003 . 1 . . . . A 28 LEU HA . 34870 1 363 . 1 . 1 32 32 LEU HB2 H 1 1.178 0.005 . 2 . . . . A 28 LEU HB2 . 34870 1 364 . 1 . 1 32 32 LEU HB3 H 1 1.833 0.015 . 2 . . . . A 28 LEU HB3 . 34870 1 365 . 1 . 1 32 32 LEU HG H 1 1.789 0.005 . 1 . . . . A 28 LEU HG . 34870 1 366 . 1 . 1 32 32 LEU HD11 H 1 0.714 0.007 . 2 . . . . A 28 LEU HD11 . 34870 1 367 . 1 . 1 32 32 LEU HD12 H 1 0.714 0.007 . 2 . . . . A 28 LEU HD12 . 34870 1 368 . 1 . 1 32 32 LEU HD13 H 1 0.714 0.007 . 2 . . . . A 28 LEU HD13 . 34870 1 369 . 1 . 1 32 32 LEU HD21 H 1 0.842 0.012 . 2 . . . . A 28 LEU HD21 . 34870 1 370 . 1 . 1 32 32 LEU HD22 H 1 0.842 0.012 . 2 . . . . A 28 LEU HD22 . 34870 1 371 . 1 . 1 32 32 LEU HD23 H 1 0.842 0.012 . 2 . . . . A 28 LEU HD23 . 34870 1 372 . 1 . 1 32 32 LEU C C 13 178.852 0.000 . 1 . . . . A 28 LEU C . 34870 1 373 . 1 . 1 32 32 LEU CA C 13 58.207 0.014 . 1 . . . . A 28 LEU CA . 34870 1 374 . 1 . 1 32 32 LEU CB C 13 42.510 0.021 . 1 . . . . A 28 LEU CB . 34870 1 375 . 1 . 1 32 32 LEU CG C 13 27.578 0.033 . 1 . . . . A 28 LEU CG . 34870 1 376 . 1 . 1 32 32 LEU CD1 C 13 26.151 0.013 . 2 . . . . A 28 LEU CD1 . 34870 1 377 . 1 . 1 32 32 LEU CD2 C 13 25.074 0.020 . 2 . . . . A 28 LEU CD2 . 34870 1 378 . 1 . 1 32 32 LEU N N 15 127.719 0.021 . 1 . . . . A 28 LEU N . 34870 1 379 . 1 . 1 33 33 ALA H H 1 9.290 0.003 . 1 . . . . A 29 ALA H . 34870 1 380 . 1 . 1 33 33 ALA HA H 1 3.991 0.003 . 1 . . . . A 29 ALA HA . 34870 1 381 . 1 . 1 33 33 ALA HB1 H 1 1.419 0.003 . 1 . . . . A 29 ALA HB1 . 34870 1 382 . 1 . 1 33 33 ALA HB2 H 1 1.419 0.003 . 1 . . . . A 29 ALA HB2 . 34870 1 383 . 1 . 1 33 33 ALA HB3 H 1 1.419 0.003 . 1 . . . . A 29 ALA HB3 . 34870 1 384 . 1 . 1 33 33 ALA C C 13 179.150 0.000 . 1 . . . . A 29 ALA C . 34870 1 385 . 1 . 1 33 33 ALA CA C 13 54.379 0.016 . 1 . . . . A 29 ALA CA . 34870 1 386 . 1 . 1 33 33 ALA CB C 13 18.713 0.013 . 1 . . . . A 29 ALA CB . 34870 1 387 . 1 . 1 33 33 ALA N N 15 117.751 0.037 . 1 . . . . A 29 ALA N . 34870 1 388 . 1 . 1 34 34 ASP H H 1 7.145 0.006 . 1 . . . . A 30 ASP H . 34870 1 389 . 1 . 1 34 34 ASP HA H 1 4.494 0.009 . 1 . . . . A 30 ASP HA . 34870 1 390 . 1 . 1 34 34 ASP HB2 H 1 2.732 0.005 . 1 . . . . A 30 ASP HB2 . 34870 1 391 . 1 . 1 34 34 ASP HB3 H 1 2.732 0.005 . 1 . . . . A 30 ASP HB3 . 34870 1 392 . 1 . 1 34 34 ASP C C 13 177.159 0.000 . 1 . . . . A 30 ASP C . 34870 1 393 . 1 . 1 34 34 ASP CA C 13 56.039 0.040 . 1 . . . . A 30 ASP CA . 34870 1 394 . 1 . 1 34 34 ASP CB C 13 40.482 0.028 . 1 . . . . A 30 ASP CB . 34870 1 395 . 1 . 1 34 34 ASP N N 15 115.223 0.075 . 1 . . . . A 30 ASP N . 34870 1 396 . 1 . 1 35 35 ARG H H 1 7.496 0.003 . 1 . . . . A 31 ARG H . 34870 1 397 . 1 . 1 35 35 ARG HA H 1 4.514 0.002 . 1 . . . . A 31 ARG HA . 34870 1 398 . 1 . 1 35 35 ARG HB2 H 1 1.699 0.003 . 2 . . . . A 31 ARG HB2 . 34870 1 399 . 1 . 1 35 35 ARG HB3 H 1 2.068 0.002 . 2 . . . . A 31 ARG HB3 . 34870 1 400 . 1 . 1 35 35 ARG HG2 H 1 1.517 0.005 . 2 . . . . A 31 ARG HG2 . 34870 1 401 . 1 . 1 35 35 ARG HG3 H 1 1.591 0.016 . 2 . . . . A 31 ARG HG3 . 34870 1 402 . 1 . 1 35 35 ARG HD2 H 1 3.075 0.003 . 2 . . . . A 31 ARG HD2 . 34870 1 403 . 1 . 1 35 35 ARG HD3 H 1 3.260 0.003 . 2 . . . . A 31 ARG HD3 . 34870 1 404 . 1 . 1 35 35 ARG C C 13 175.365 0.000 . 1 . . . . A 31 ARG C . 34870 1 405 . 1 . 1 35 35 ARG CA C 13 53.761 0.019 . 1 . . . . A 31 ARG CA . 34870 1 406 . 1 . 1 35 35 ARG CB C 13 29.887 0.011 . 1 . . . . A 31 ARG CB . 34870 1 407 . 1 . 1 35 35 ARG CG C 13 26.285 0.051 . 1 . . . . A 31 ARG CG . 34870 1 408 . 1 . 1 35 35 ARG CD C 13 41.946 0.009 . 1 . . . . A 31 ARG CD . 34870 1 409 . 1 . 1 35 35 ARG N N 15 116.439 0.032 . 1 . . . . A 31 ARG N . 34870 1 410 . 1 . 1 36 36 CYS H H 1 7.269 0.009 . 1 . . . . A 32 CYS H . 34870 1 411 . 1 . 1 36 36 CYS HA H 1 4.534 0.003 . 1 . . . . A 32 CYS HA . 34870 1 412 . 1 . 1 36 36 CYS HB2 H 1 2.755 0.002 . 2 . . . . A 32 CYS HB2 . 34870 1 413 . 1 . 1 36 36 CYS HB3 H 1 2.839 0.001 . 2 . . . . A 32 CYS HB3 . 34870 1 414 . 1 . 1 36 36 CYS C C 13 175.158 0.000 . 1 . . . . A 32 CYS C . 34870 1 415 . 1 . 1 36 36 CYS CA C 13 58.165 0.028 . 1 . . . . A 32 CYS CA . 34870 1 416 . 1 . 1 36 36 CYS CB C 13 28.061 0.011 . 1 . . . . A 32 CYS CB . 34870 1 417 . 1 . 1 36 36 CYS N N 15 118.102 0.040 . 1 . . . . A 32 CYS N . 34870 1 418 . 1 . 1 37 37 GLU H H 1 9.143 0.004 . 1 . . . . A 33 GLU H . 34870 1 419 . 1 . 1 37 37 GLU HA H 1 4.132 0.003 . 1 . . . . A 33 GLU HA . 34870 1 420 . 1 . 1 37 37 GLU HB2 H 1 1.995 0.005 . 1 . . . . A 33 GLU HB2 . 34870 1 421 . 1 . 1 37 37 GLU HB3 H 1 1.995 0.005 . 1 . . . . A 33 GLU HB3 . 34870 1 422 . 1 . 1 37 37 GLU HG2 H 1 2.185 0.004 . 2 . . . . A 33 GLU HG2 . 34870 1 423 . 1 . 1 37 37 GLU HG3 H 1 2.302 0.001 . 2 . . . . A 33 GLU HG3 . 34870 1 424 . 1 . 1 37 37 GLU C C 13 175.576 0.000 . 1 . . . . A 33 GLU C . 34870 1 425 . 1 . 1 37 37 GLU CA C 13 58.336 0.036 . 1 . . . . A 33 GLU CA . 34870 1 426 . 1 . 1 37 37 GLU CB C 13 30.379 0.033 . 1 . . . . A 33 GLU CB . 34870 1 427 . 1 . 1 37 37 GLU CG C 13 36.303 0.016 . 1 . . . . A 33 GLU CG . 34870 1 428 . 1 . 1 37 37 GLU N N 15 127.348 0.031 . 1 . . . . A 33 GLU N . 34870 1 429 . 1 . 1 38 38 HIS H H 1 7.312 0.003 . 1 . . . . A 34 HIS H . 34870 1 430 . 1 . 1 38 38 HIS HA H 1 5.013 0.002 . 1 . . . . A 34 HIS HA . 34870 1 431 . 1 . 1 38 38 HIS HB2 H 1 3.102 0.003 . 1 . . . . A 34 HIS HB2 . 34870 1 432 . 1 . 1 38 38 HIS HB3 H 1 3.102 0.003 . 1 . . . . A 34 HIS HB3 . 34870 1 433 . 1 . 1 38 38 HIS HD2 H 1 7.133 0.001 . 1 . . . . A 34 HIS HD2 . 34870 1 434 . 1 . 1 38 38 HIS HE1 H 1 8.294 0.002 . 1 . . . . A 34 HIS HE1 . 34870 1 435 . 1 . 1 38 38 HIS CA C 13 53.977 0.013 . 1 . . . . A 34 HIS CA . 34870 1 436 . 1 . 1 38 38 HIS CB C 13 32.778 0.012 . 1 . . . . A 34 HIS CB . 34870 1 437 . 1 . 1 38 38 HIS N N 15 116.331 0.017 . 1 . . . . A 34 HIS N . 34870 1 438 . 1 . 1 39 39 PRO HA H 1 4.237 0.002 . 1 . . . . A 35 PRO HA . 34870 1 439 . 1 . 1 39 39 PRO HB2 H 1 2.363 0.002 . 2 . . . . A 35 PRO HB2 . 34870 1 440 . 1 . 1 39 39 PRO HB3 H 1 1.992 0.014 . 2 . . . . A 35 PRO HB3 . 34870 1 441 . 1 . 1 39 39 PRO HG2 H 1 1.971 0.015 . 2 . . . . A 35 PRO HG2 . 34870 1 442 . 1 . 1 39 39 PRO HG3 H 1 2.011 0.011 . 2 . . . . A 35 PRO HG3 . 34870 1 443 . 1 . 1 39 39 PRO HD2 H 1 3.358 0.002 . 2 . . . . A 35 PRO HD2 . 34870 1 444 . 1 . 1 39 39 PRO HD3 H 1 3.759 0.002 . 2 . . . . A 35 PRO HD3 . 34870 1 445 . 1 . 1 39 39 PRO C C 13 178.642 0.000 . 1 . . . . A 35 PRO C . 34870 1 446 . 1 . 1 39 39 PRO CA C 13 65.394 0.012 . 1 . . . . A 35 PRO CA . 34870 1 447 . 1 . 1 39 39 PRO CB C 13 31.980 0.019 . 1 . . . . A 35 PRO CB . 34870 1 448 . 1 . 1 39 39 PRO CG C 13 27.353 0.037 . 1 . . . . A 35 PRO CG . 34870 1 449 . 1 . 1 39 39 PRO CD C 13 51.036 0.006 . 1 . . . . A 35 PRO CD . 34870 1 450 . 1 . 1 40 40 ALA H H 1 9.535 0.003 . 1 . . . . A 36 ALA H . 34870 1 451 . 1 . 1 40 40 ALA HA H 1 4.339 0.004 . 1 . . . . A 36 ALA HA . 34870 1 452 . 1 . 1 40 40 ALA HB1 H 1 1.536 0.003 . 1 . . . . A 36 ALA HB1 . 34870 1 453 . 1 . 1 40 40 ALA HB2 H 1 1.536 0.003 . 1 . . . . A 36 ALA HB2 . 34870 1 454 . 1 . 1 40 40 ALA HB3 H 1 1.536 0.003 . 1 . . . . A 36 ALA HB3 . 34870 1 455 . 1 . 1 40 40 ALA C C 13 179.920 0.000 . 1 . . . . A 36 ALA C . 34870 1 456 . 1 . 1 40 40 ALA CA C 13 54.931 0.017 . 1 . . . . A 36 ALA CA . 34870 1 457 . 1 . 1 40 40 ALA CB C 13 18.349 0.031 . 1 . . . . A 36 ALA CB . 34870 1 458 . 1 . 1 40 40 ALA N N 15 123.178 0.018 . 1 . . . . A 36 ALA N . 34870 1 459 . 1 . 1 41 41 LEU H H 1 7.853 0.005 . 1 . . . . A 37 LEU H . 34870 1 460 . 1 . 1 41 41 LEU HA H 1 4.260 0.010 . 1 . . . . A 37 LEU HA . 34870 1 461 . 1 . 1 41 41 LEU HB2 H 1 1.545 0.003 . 2 . . . . A 37 LEU HB2 . 34870 1 462 . 1 . 1 41 41 LEU HB3 H 1 1.936 0.001 . 2 . . . . A 37 LEU HB3 . 34870 1 463 . 1 . 1 41 41 LEU HG H 1 1.689 0.003 . 1 . . . . A 37 LEU HG . 34870 1 464 . 1 . 1 41 41 LEU HD11 H 1 1.011 0.001 . 2 . . . . A 37 LEU HD11 . 34870 1 465 . 1 . 1 41 41 LEU HD12 H 1 1.011 0.001 . 2 . . . . A 37 LEU HD12 . 34870 1 466 . 1 . 1 41 41 LEU HD13 H 1 1.011 0.001 . 2 . . . . A 37 LEU HD13 . 34870 1 467 . 1 . 1 41 41 LEU HD21 H 1 1.171 0.003 . 2 . . . . A 37 LEU HD21 . 34870 1 468 . 1 . 1 41 41 LEU HD22 H 1 1.171 0.003 . 2 . . . . A 37 LEU HD22 . 34870 1 469 . 1 . 1 41 41 LEU HD23 H 1 1.171 0.003 . 2 . . . . A 37 LEU HD23 . 34870 1 470 . 1 . 1 41 41 LEU C C 13 179.552 0.000 . 1 . . . . A 37 LEU C . 34870 1 471 . 1 . 1 41 41 LEU CA C 13 57.109 0.010 . 1 . . . . A 37 LEU CA . 34870 1 472 . 1 . 1 41 41 LEU CB C 13 42.291 0.012 . 1 . . . . A 37 LEU CB . 34870 1 473 . 1 . 1 41 41 LEU CG C 13 27.250 0.059 . 1 . . . . A 37 LEU CG . 34870 1 474 . 1 . 1 41 41 LEU CD1 C 13 22.594 0.005 . 2 . . . . A 37 LEU CD1 . 34870 1 475 . 1 . 1 41 41 LEU CD2 C 13 26.411 0.049 . 2 . . . . A 37 LEU CD2 . 34870 1 476 . 1 . 1 41 41 LEU N N 15 116.639 0.035 . 1 . . . . A 37 LEU N . 34870 1 477 . 1 . 1 42 42 LEU H H 1 7.513 0.003 . 1 . . . . A 38 LEU H . 34870 1 478 . 1 . 1 42 42 LEU HA H 1 4.070 0.011 . 1 . . . . A 38 LEU HA . 34870 1 479 . 1 . 1 42 42 LEU HB2 H 1 1.515 0.014 . 2 . . . . A 38 LEU HB2 . 34870 1 480 . 1 . 1 42 42 LEU HB3 H 1 2.044 0.004 . 2 . . . . A 38 LEU HB3 . 34870 1 481 . 1 . 1 42 42 LEU HG H 1 1.985 0.002 . 1 . . . . A 38 LEU HG . 34870 1 482 . 1 . 1 42 42 LEU HD11 H 1 0.871 0.004 . 2 . . . . A 38 LEU HD11 . 34870 1 483 . 1 . 1 42 42 LEU HD12 H 1 0.871 0.004 . 2 . . . . A 38 LEU HD12 . 34870 1 484 . 1 . 1 42 42 LEU HD13 H 1 0.871 0.004 . 2 . . . . A 38 LEU HD13 . 34870 1 485 . 1 . 1 42 42 LEU HD21 H 1 0.729 0.003 . 2 . . . . A 38 LEU HD21 . 34870 1 486 . 1 . 1 42 42 LEU HD22 H 1 0.729 0.003 . 2 . . . . A 38 LEU HD22 . 34870 1 487 . 1 . 1 42 42 LEU HD23 H 1 0.729 0.003 . 2 . . . . A 38 LEU HD23 . 34870 1 488 . 1 . 1 42 42 LEU C C 13 179.294 0.000 . 1 . . . . A 38 LEU C . 34870 1 489 . 1 . 1 42 42 LEU CA C 13 57.550 0.021 . 1 . . . . A 38 LEU CA . 34870 1 490 . 1 . 1 42 42 LEU CB C 13 40.758 0.022 . 1 . . . . A 38 LEU CB . 34870 1 491 . 1 . 1 42 42 LEU CG C 13 26.752 0.044 . 1 . . . . A 38 LEU CG . 34870 1 492 . 1 . 1 42 42 LEU CD1 C 13 25.172 0.012 . 2 . . . . A 38 LEU CD1 . 34870 1 493 . 1 . 1 42 42 LEU CD2 C 13 23.254 0.007 . 2 . . . . A 38 LEU CD2 . 34870 1 494 . 1 . 1 42 42 LEU N N 15 117.650 0.063 . 1 . . . . A 38 LEU N . 34870 1 495 . 1 . 1 43 43 ASP H H 1 7.350 0.003 . 1 . . . . A 39 ASP H . 34870 1 496 . 1 . 1 43 43 ASP HA H 1 4.375 0.005 . 1 . . . . A 39 ASP HA . 34870 1 497 . 1 . 1 43 43 ASP HB2 H 1 2.772 0.004 . 2 . . . . A 39 ASP HB2 . 34870 1 498 . 1 . 1 43 43 ASP HB3 H 1 2.914 0.003 . 2 . . . . A 39 ASP HB3 . 34870 1 499 . 1 . 1 43 43 ASP C C 13 178.976 0.000 . 1 . . . . A 39 ASP C . 34870 1 500 . 1 . 1 43 43 ASP CA C 13 57.786 0.019 . 1 . . . . A 39 ASP CA . 34870 1 501 . 1 . 1 43 43 ASP CB C 13 40.082 0.032 . 1 . . . . A 39 ASP CB . 34870 1 502 . 1 . 1 43 43 ASP N N 15 119.694 0.028 . 1 . . . . A 39 ASP N . 34870 1 503 . 1 . 1 44 44 ASP H H 1 7.898 0.002 . 1 . . . . A 40 ASP H . 34870 1 504 . 1 . 1 44 44 ASP HA H 1 4.405 0.004 . 1 . . . . A 40 ASP HA . 34870 1 505 . 1 . 1 44 44 ASP HB2 H 1 2.686 0.005 . 2 . . . . A 40 ASP HB2 . 34870 1 506 . 1 . 1 44 44 ASP HB3 H 1 2.803 0.003 . 2 . . . . A 40 ASP HB3 . 34870 1 507 . 1 . 1 44 44 ASP C C 13 179.096 0.000 . 1 . . . . A 40 ASP C . 34870 1 508 . 1 . 1 44 44 ASP CA C 13 57.544 0.101 . 1 . . . . A 40 ASP CA . 34870 1 509 . 1 . 1 44 44 ASP CB C 13 40.075 0.022 . 1 . . . . A 40 ASP CB . 34870 1 510 . 1 . 1 44 44 ASP N N 15 121.540 0.025 . 1 . . . . A 40 ASP N . 34870 1 511 . 1 . 1 45 45 LEU H H 1 8.310 0.003 . 1 . . . . A 41 LEU H . 34870 1 512 . 1 . 1 45 45 LEU HA H 1 4.136 0.007 . 1 . . . . A 41 LEU HA . 34870 1 513 . 1 . 1 45 45 LEU HB2 H 1 1.494 0.012 . 2 . . . . A 41 LEU HB2 . 34870 1 514 . 1 . 1 45 45 LEU HB3 H 1 2.037 0.006 . 2 . . . . A 41 LEU HB3 . 34870 1 515 . 1 . 1 45 45 LEU HG H 1 1.515 0.001 . 1 . . . . A 41 LEU HG . 34870 1 516 . 1 . 1 45 45 LEU HD11 H 1 0.894 0.005 . 2 . . . . A 41 LEU HD11 . 34870 1 517 . 1 . 1 45 45 LEU HD12 H 1 0.894 0.005 . 2 . . . . A 41 LEU HD12 . 34870 1 518 . 1 . 1 45 45 LEU HD13 H 1 0.894 0.005 . 2 . . . . A 41 LEU HD13 . 34870 1 519 . 1 . 1 45 45 LEU HD21 H 1 0.889 0.005 . 2 . . . . A 41 LEU HD21 . 34870 1 520 . 1 . 1 45 45 LEU HD22 H 1 0.889 0.005 . 2 . . . . A 41 LEU HD22 . 34870 1 521 . 1 . 1 45 45 LEU HD23 H 1 0.889 0.005 . 2 . . . . A 41 LEU HD23 . 34870 1 522 . 1 . 1 45 45 LEU C C 13 177.579 0.000 . 1 . . . . A 41 LEU C . 34870 1 523 . 1 . 1 45 45 LEU CA C 13 57.770 0.018 . 1 . . . . A 41 LEU CA . 34870 1 524 . 1 . 1 45 45 LEU CB C 13 40.813 0.023 . 1 . . . . A 41 LEU CB . 34870 1 525 . 1 . 1 45 45 LEU CG C 13 26.900 0.091 . 1 . . . . A 41 LEU CG . 34870 1 526 . 1 . 1 45 45 LEU CD1 C 13 22.062 0.011 . 2 . . . . A 41 LEU CD1 . 34870 1 527 . 1 . 1 45 45 LEU CD2 C 13 26.742 0.059 . 2 . . . . A 41 LEU CD2 . 34870 1 528 . 1 . 1 45 45 LEU N N 15 121.624 0.028 . 1 . . . . A 41 LEU N . 34870 1 529 . 1 . 1 46 46 ALA H H 1 8.389 0.004 . 1 . . . . A 42 ALA H . 34870 1 530 . 1 . 1 46 46 ALA HA H 1 3.786 0.004 . 1 . . . . A 42 ALA HA . 34870 1 531 . 1 . 1 46 46 ALA HB1 H 1 1.472 0.003 . 1 . . . . A 42 ALA HB1 . 34870 1 532 . 1 . 1 46 46 ALA HB2 H 1 1.472 0.003 . 1 . . . . A 42 ALA HB2 . 34870 1 533 . 1 . 1 46 46 ALA HB3 H 1 1.472 0.003 . 1 . . . . A 42 ALA HB3 . 34870 1 534 . 1 . 1 46 46 ALA C C 13 179.819 0.000 . 1 . . . . A 42 ALA C . 34870 1 535 . 1 . 1 46 46 ALA CA C 13 56.287 0.010 . 1 . . . . A 42 ALA CA . 34870 1 536 . 1 . 1 46 46 ALA CB C 13 17.675 0.012 . 1 . . . . A 42 ALA CB . 34870 1 537 . 1 . 1 46 46 ALA N N 15 122.398 0.061 . 1 . . . . A 42 ALA N . 34870 1 538 . 1 . 1 47 47 THR H H 1 8.495 0.006 . 1 . . . . A 43 THR H . 34870 1 539 . 1 . 1 47 47 THR HA H 1 3.982 0.003 . 1 . . . . A 43 THR HA . 34870 1 540 . 1 . 1 47 47 THR HB H 1 4.442 0.004 . 1 . . . . A 43 THR HB . 34870 1 541 . 1 . 1 47 47 THR HG21 H 1 1.304 0.003 . 1 . . . . A 43 THR HG21 . 34870 1 542 . 1 . 1 47 47 THR HG22 H 1 1.304 0.003 . 1 . . . . A 43 THR HG22 . 34870 1 543 . 1 . 1 47 47 THR HG23 H 1 1.304 0.003 . 1 . . . . A 43 THR HG23 . 34870 1 544 . 1 . 1 47 47 THR C C 13 177.247 0.000 . 1 . . . . A 43 THR C . 34870 1 545 . 1 . 1 47 47 THR CA C 13 66.963 0.035 . 1 . . . . A 43 THR CA . 34870 1 546 . 1 . 1 47 47 THR CB C 13 68.773 0.063 . 1 . . . . A 43 THR CB . 34870 1 547 . 1 . 1 47 47 THR CG2 C 13 21.986 0.014 . 1 . . . . A 43 THR CG2 . 34870 1 548 . 1 . 1 47 47 THR N N 15 117.112 0.075 . 1 . . . . A 43 THR N . 34870 1 549 . 1 . 1 48 48 THR H H 1 8.191 0.006 . 1 . . . . A 44 THR H . 34870 1 550 . 1 . 1 48 48 THR HA H 1 4.029 0.007 . 1 . . . . A 44 THR HA . 34870 1 551 . 1 . 1 48 48 THR HB H 1 4.347 0.005 . 1 . . . . A 44 THR HB . 34870 1 552 . 1 . 1 48 48 THR HG21 H 1 1.228 0.003 . 1 . . . . A 44 THR HG21 . 34870 1 553 . 1 . 1 48 48 THR HG22 H 1 1.228 0.003 . 1 . . . . A 44 THR HG22 . 34870 1 554 . 1 . 1 48 48 THR HG23 H 1 1.228 0.003 . 1 . . . . A 44 THR HG23 . 34870 1 555 . 1 . 1 48 48 THR C C 13 175.681 0.000 . 1 . . . . A 44 THR C . 34870 1 556 . 1 . 1 48 48 THR CA C 13 67.180 0.028 . 1 . . . . A 44 THR CA . 34870 1 557 . 1 . 1 48 48 THR CB C 13 68.674 0.031 . 1 . . . . A 44 THR CB . 34870 1 558 . 1 . 1 48 48 THR CG2 C 13 22.174 0.049 . 1 . . . . A 44 THR CG2 . 34870 1 559 . 1 . 1 48 48 THR N N 15 121.200 0.025 . 1 . . . . A 44 THR N . 34870 1 560 . 1 . 1 49 49 LEU H H 1 8.938 0.004 . 1 . . . . A 45 LEU H . 34870 1 561 . 1 . 1 49 49 LEU HA H 1 4.047 0.005 . 1 . . . . A 45 LEU HA . 34870 1 562 . 1 . 1 49 49 LEU HB2 H 1 2.060 0.009 . 2 . . . . A 45 LEU HB2 . 34870 1 563 . 1 . 1 49 49 LEU HB3 H 1 1.426 0.007 . 2 . . . . A 45 LEU HB3 . 34870 1 564 . 1 . 1 49 49 LEU HG H 1 2.051 0.008 . 1 . . . . A 45 LEU HG . 34870 1 565 . 1 . 1 49 49 LEU HD11 H 1 0.807 0.008 . 2 . . . . A 45 LEU HD11 . 34870 1 566 . 1 . 1 49 49 LEU HD12 H 1 0.807 0.008 . 2 . . . . A 45 LEU HD12 . 34870 1 567 . 1 . 1 49 49 LEU HD13 H 1 0.807 0.008 . 2 . . . . A 45 LEU HD13 . 34870 1 568 . 1 . 1 49 49 LEU HD21 H 1 0.962 0.003 . 2 . . . . A 45 LEU HD21 . 34870 1 569 . 1 . 1 49 49 LEU HD22 H 1 0.962 0.003 . 2 . . . . A 45 LEU HD22 . 34870 1 570 . 1 . 1 49 49 LEU HD23 H 1 0.962 0.003 . 2 . . . . A 45 LEU HD23 . 34870 1 571 . 1 . 1 49 49 LEU C C 13 178.909 0.000 . 1 . . . . A 45 LEU C . 34870 1 572 . 1 . 1 49 49 LEU CA C 13 58.508 0.015 . 1 . . . . A 45 LEU CA . 34870 1 573 . 1 . 1 49 49 LEU CB C 13 41.929 0.039 . 1 . . . . A 45 LEU CB . 34870 1 574 . 1 . 1 49 49 LEU CG C 13 26.641 0.093 . 1 . . . . A 45 LEU CG . 34870 1 575 . 1 . 1 49 49 LEU CD1 C 13 27.086 0.077 . 2 . . . . A 45 LEU CD1 . 34870 1 576 . 1 . 1 49 49 LEU CD2 C 13 23.762 0.011 . 2 . . . . A 45 LEU CD2 . 34870 1 577 . 1 . 1 49 49 LEU N N 15 120.668 0.030 . 1 . . . . A 45 LEU N . 34870 1 578 . 1 . 1 50 50 THR H H 1 8.415 0.003 . 1 . . . . A 46 THR H . 34870 1 579 . 1 . 1 50 50 THR HA H 1 4.488 0.002 . 1 . . . . A 46 THR HA . 34870 1 580 . 1 . 1 50 50 THR HB H 1 4.340 0.006 . 1 . . . . A 46 THR HB . 34870 1 581 . 1 . 1 50 50 THR HG21 H 1 1.242 0.002 . 1 . . . . A 46 THR HG21 . 34870 1 582 . 1 . 1 50 50 THR HG22 H 1 1.242 0.002 . 1 . . . . A 46 THR HG22 . 34870 1 583 . 1 . 1 50 50 THR HG23 H 1 1.242 0.002 . 1 . . . . A 46 THR HG23 . 34870 1 584 . 1 . 1 50 50 THR C C 13 177.182 0.000 . 1 . . . . A 46 THR C . 34870 1 585 . 1 . 1 50 50 THR CA C 13 66.569 0.014 . 1 . . . . A 46 THR CA . 34870 1 586 . 1 . 1 50 50 THR CB C 13 69.356 0.038 . 1 . . . . A 46 THR CB . 34870 1 587 . 1 . 1 50 50 THR CG2 C 13 21.577 0.011 . 1 . . . . A 46 THR CG2 . 34870 1 588 . 1 . 1 50 50 THR N N 15 116.851 0.021 . 1 . . . . A 46 THR N . 34870 1 589 . 1 . 1 51 51 ALA H H 1 7.784 0.003 . 1 . . . . A 47 ALA H . 34870 1 590 . 1 . 1 51 51 ALA HA H 1 4.128 0.003 . 1 . . . . A 47 ALA HA . 34870 1 591 . 1 . 1 51 51 ALA HB1 H 1 1.548 0.002 . 1 . . . . A 47 ALA HB1 . 34870 1 592 . 1 . 1 51 51 ALA HB2 H 1 1.548 0.002 . 1 . . . . A 47 ALA HB2 . 34870 1 593 . 1 . 1 51 51 ALA HB3 H 1 1.548 0.002 . 1 . . . . A 47 ALA HB3 . 34870 1 594 . 1 . 1 51 51 ALA C C 13 179.838 0.000 . 1 . . . . A 47 ALA C . 34870 1 595 . 1 . 1 51 51 ALA CA C 13 54.955 0.017 . 1 . . . . A 47 ALA CA . 34870 1 596 . 1 . 1 51 51 ALA CB C 13 18.469 0.013 . 1 . . . . A 47 ALA CB . 34870 1 597 . 1 . 1 51 51 ALA N N 15 123.706 0.029 . 1 . . . . A 47 ALA N . 34870 1 598 . 1 . 1 52 52 VAL H H 1 8.202 0.004 . 1 . . . . A 48 VAL H . 34870 1 599 . 1 . 1 52 52 VAL HA H 1 3.583 0.007 . 1 . . . . A 48 VAL HA . 34870 1 600 . 1 . 1 52 52 VAL HB H 1 1.566 0.004 . 1 . . . . A 48 VAL HB . 34870 1 601 . 1 . 1 52 52 VAL HG11 H 1 0.881 0.005 . 2 . . . . A 48 VAL HG11 . 34870 1 602 . 1 . 1 52 52 VAL HG12 H 1 0.881 0.005 . 2 . . . . A 48 VAL HG12 . 34870 1 603 . 1 . 1 52 52 VAL HG13 H 1 0.881 0.005 . 2 . . . . A 48 VAL HG13 . 34870 1 604 . 1 . 1 52 52 VAL HG21 H 1 0.003 0.003 . 2 . . . . A 48 VAL HG21 . 34870 1 605 . 1 . 1 52 52 VAL HG22 H 1 0.003 0.003 . 2 . . . . A 48 VAL HG22 . 34870 1 606 . 1 . 1 52 52 VAL HG23 H 1 0.003 0.003 . 2 . . . . A 48 VAL HG23 . 34870 1 607 . 1 . 1 52 52 VAL C C 13 177.572 0.000 . 1 . . . . A 48 VAL C . 34870 1 608 . 1 . 1 52 52 VAL CA C 13 65.670 0.017 . 1 . . . . A 48 VAL CA . 34870 1 609 . 1 . 1 52 52 VAL CB C 13 32.857 0.020 . 1 . . . . A 48 VAL CB . 34870 1 610 . 1 . 1 52 52 VAL CG1 C 13 22.665 0.042 . 2 . . . . A 48 VAL CG1 . 34870 1 611 . 1 . 1 52 52 VAL CG2 C 13 20.579 0.010 . 2 . . . . A 48 VAL CG2 . 34870 1 612 . 1 . 1 52 52 VAL N N 15 116.916 0.038 . 1 . . . . A 48 VAL N . 34870 1 613 . 1 . 1 53 53 PHE H H 1 8.290 0.003 . 1 . . . . A 49 PHE H . 34870 1 614 . 1 . 1 53 53 PHE HA H 1 4.575 0.003 . 1 . . . . A 49 PHE HA . 34870 1 615 . 1 . 1 53 53 PHE HB2 H 1 2.922 0.003 . 2 . . . . A 49 PHE HB2 . 34870 1 616 . 1 . 1 53 53 PHE HB3 H 1 3.374 0.003 . 2 . . . . A 49 PHE HB3 . 34870 1 617 . 1 . 1 53 53 PHE HD1 H 1 7.394 0.002 . 1 . . . . A 49 PHE HD1 . 34870 1 618 . 1 . 1 53 53 PHE HD2 H 1 7.394 0.002 . 1 . . . . A 49 PHE HD2 . 34870 1 619 . 1 . 1 53 53 PHE HE1 H 1 7.109 0.001 . 1 . . . . A 49 PHE HE1 . 34870 1 620 . 1 . 1 53 53 PHE HE2 H 1 7.109 0.001 . 1 . . . . A 49 PHE HE2 . 34870 1 621 . 1 . 1 53 53 PHE HZ H 1 6.967 0.002 . 1 . . . . A 49 PHE HZ . 34870 1 622 . 1 . 1 53 53 PHE C C 13 175.253 0.000 . 1 . . . . A 49 PHE C . 34870 1 623 . 1 . 1 53 53 PHE CA C 13 59.262 0.018 . 1 . . . . A 49 PHE CA . 34870 1 624 . 1 . 1 53 53 PHE CB C 13 40.262 0.028 . 1 . . . . A 49 PHE CB . 34870 1 625 . 1 . 1 53 53 PHE N N 15 114.851 0.067 . 1 . . . . A 49 PHE N . 34870 1 626 . 1 . 1 54 54 ALA H H 1 8.127 0.004 . 1 . . . . A 50 ALA H . 34870 1 627 . 1 . 1 54 54 ALA HA H 1 4.248 0.005 . 1 . . . . A 50 ALA HA . 34870 1 628 . 1 . 1 54 54 ALA HB1 H 1 1.490 0.005 . 1 . . . . A 50 ALA HB1 . 34870 1 629 . 1 . 1 54 54 ALA HB2 H 1 1.490 0.005 . 1 . . . . A 50 ALA HB2 . 34870 1 630 . 1 . 1 54 54 ALA HB3 H 1 1.490 0.005 . 1 . . . . A 50 ALA HB3 . 34870 1 631 . 1 . 1 54 54 ALA C C 13 175.878 0.000 . 1 . . . . A 50 ALA C . 34870 1 632 . 1 . 1 54 54 ALA CA C 13 53.353 0.011 . 1 . . . . A 50 ALA CA . 34870 1 633 . 1 . 1 54 54 ALA CB C 13 16.461 0.062 . 1 . . . . A 50 ALA CB . 34870 1 634 . 1 . 1 54 54 ALA N N 15 120.315 0.028 . 1 . . . . A 50 ALA N . 34870 1 635 . 1 . 1 55 55 VAL H H 1 7.003 0.003 . 1 . . . . A 51 VAL H . 34870 1 636 . 1 . 1 55 55 VAL HA H 1 4.243 0.003 . 1 . . . . A 51 VAL HA . 34870 1 637 . 1 . 1 55 55 VAL HB H 1 1.844 0.004 . 1 . . . . A 51 VAL HB . 34870 1 638 . 1 . 1 55 55 VAL HG11 H 1 0.844 0.015 . 2 . . . . A 51 VAL HG11 . 34870 1 639 . 1 . 1 55 55 VAL HG12 H 1 0.844 0.015 . 2 . . . . A 51 VAL HG12 . 34870 1 640 . 1 . 1 55 55 VAL HG13 H 1 0.844 0.015 . 2 . . . . A 51 VAL HG13 . 34870 1 641 . 1 . 1 55 55 VAL HG21 H 1 0.880 0.010 . 2 . . . . A 51 VAL HG21 . 34870 1 642 . 1 . 1 55 55 VAL HG22 H 1 0.880 0.010 . 2 . . . . A 51 VAL HG22 . 34870 1 643 . 1 . 1 55 55 VAL HG23 H 1 0.880 0.010 . 2 . . . . A 51 VAL HG23 . 34870 1 644 . 1 . 1 55 55 VAL C C 13 173.903 0.000 . 1 . . . . A 51 VAL C . 34870 1 645 . 1 . 1 55 55 VAL CA C 13 60.306 0.015 . 1 . . . . A 51 VAL CA . 34870 1 646 . 1 . 1 55 55 VAL CB C 13 34.885 0.017 . 1 . . . . A 51 VAL CB . 34870 1 647 . 1 . 1 55 55 VAL CG1 C 13 21.164 0.012 . 2 . . . . A 51 VAL CG1 . 34870 1 648 . 1 . 1 55 55 VAL CG2 C 13 20.632 0.010 . 2 . . . . A 51 VAL CG2 . 34870 1 649 . 1 . 1 55 55 VAL N N 15 115.570 0.040 . 1 . . . . A 51 VAL N . 34870 1 650 . 1 . 1 56 56 GLU H H 1 8.369 0.010 . 1 . . . . A 52 GLU H . 34870 1 651 . 1 . 1 56 56 GLU HA H 1 4.209 0.005 . 1 . . . . A 52 GLU HA . 34870 1 652 . 1 . 1 56 56 GLU HB2 H 1 1.905 0.014 . 2 . . . . A 52 GLU HB2 . 34870 1 653 . 1 . 1 56 56 GLU HB3 H 1 1.948 0.018 . 2 . . . . A 52 GLU HB3 . 34870 1 654 . 1 . 1 56 56 GLU HG2 H 1 2.165 0.005 . 2 . . . . A 52 GLU HG2 . 34870 1 655 . 1 . 1 56 56 GLU HG3 H 1 2.076 0.006 . 2 . . . . A 52 GLU HG3 . 34870 1 656 . 1 . 1 56 56 GLU C C 13 175.154 0.000 . 1 . . . . A 52 GLU C . 34870 1 657 . 1 . 1 56 56 GLU CA C 13 57.488 0.051 . 1 . . . . A 52 GLU CA . 34870 1 658 . 1 . 1 56 56 GLU CB C 13 29.528 0.018 . 1 . . . . A 52 GLU CB . 34870 1 659 . 1 . 1 56 56 GLU CG C 13 36.266 0.073 . 1 . . . . A 52 GLU CG . 34870 1 660 . 1 . 1 56 56 GLU N N 15 123.665 0.035 . 1 . . . . A 52 GLU N . 34870 1 661 . 1 . 1 57 57 ILE H H 1 8.193 0.003 . 1 . . . . A 53 ILE H . 34870 1 662 . 1 . 1 57 57 ILE HA H 1 4.447 0.003 . 1 . . . . A 53 ILE HA . 34870 1 663 . 1 . 1 57 57 ILE HB H 1 1.786 0.003 . 1 . . . . A 53 ILE HB . 34870 1 664 . 1 . 1 57 57 ILE HG12 H 1 1.240 0.003 . 2 . . . . A 53 ILE HG12 . 34870 1 665 . 1 . 1 57 57 ILE HG13 H 1 1.528 0.004 . 2 . . . . A 53 ILE HG13 . 34870 1 666 . 1 . 1 57 57 ILE HG21 H 1 0.881 0.004 . 1 . . . . A 53 ILE HG21 . 34870 1 667 . 1 . 1 57 57 ILE HG22 H 1 0.881 0.004 . 1 . . . . A 53 ILE HG22 . 34870 1 668 . 1 . 1 57 57 ILE HG23 H 1 0.881 0.004 . 1 . . . . A 53 ILE HG23 . 34870 1 669 . 1 . 1 57 57 ILE HD11 H 1 0.726 0.004 . 1 . . . . A 53 ILE HD11 . 34870 1 670 . 1 . 1 57 57 ILE HD12 H 1 0.726 0.004 . 1 . . . . A 53 ILE HD12 . 34870 1 671 . 1 . 1 57 57 ILE HD13 H 1 0.726 0.004 . 1 . . . . A 53 ILE HD13 . 34870 1 672 . 1 . 1 57 57 ILE C C 13 173.686 0.000 . 1 . . . . A 53 ILE C . 34870 1 673 . 1 . 1 57 57 ILE CA C 13 59.584 0.015 . 1 . . . . A 53 ILE CA . 34870 1 674 . 1 . 1 57 57 ILE CB C 13 40.502 0.018 . 1 . . . . A 53 ILE CB . 34870 1 675 . 1 . 1 57 57 ILE CG1 C 13 28.056 0.026 . 1 . . . . A 53 ILE CG1 . 34870 1 676 . 1 . 1 57 57 ILE CG2 C 13 16.920 0.008 . 1 . . . . A 53 ILE CG2 . 34870 1 677 . 1 . 1 57 57 ILE CD1 C 13 13.602 0.011 . 1 . . . . A 53 ILE CD1 . 34870 1 678 . 1 . 1 57 57 ILE N N 15 128.722 0.018 . 1 . . . . A 53 ILE N . 34870 1 679 . 1 . 1 58 58 THR H H 1 8.820 0.004 . 1 . . . . A 54 THR H . 34870 1 680 . 1 . 1 58 58 THR HA H 1 4.795 0.007 . 1 . . . . A 54 THR HA . 34870 1 681 . 1 . 1 58 58 THR HB H 1 4.552 0.004 . 1 . . . . A 54 THR HB . 34870 1 682 . 1 . 1 58 58 THR HG21 H 1 1.185 0.003 . 1 . . . . A 54 THR HG21 . 34870 1 683 . 1 . 1 58 58 THR HG22 H 1 1.185 0.003 . 1 . . . . A 54 THR HG22 . 34870 1 684 . 1 . 1 58 58 THR HG23 H 1 1.185 0.003 . 1 . . . . A 54 THR HG23 . 34870 1 685 . 1 . 1 58 58 THR C C 13 176.179 0.000 . 1 . . . . A 54 THR C . 34870 1 686 . 1 . 1 58 58 THR CA C 13 59.882 0.022 . 1 . . . . A 54 THR CA . 34870 1 687 . 1 . 1 58 58 THR CB C 13 72.504 0.028 . 1 . . . . A 54 THR CB . 34870 1 688 . 1 . 1 58 58 THR CG2 C 13 21.401 0.029 . 1 . . . . A 54 THR CG2 . 34870 1 689 . 1 . 1 58 58 THR N N 15 115.927 0.015 . 1 . . . . A 54 THR N . 34870 1 690 . 1 . 1 59 59 GLY H H 1 9.140 0.003 . 1 . . . . A 55 GLY H . 34870 1 691 . 1 . 1 59 59 GLY HA2 H 1 3.449 0.004 . 2 . . . . A 55 GLY HA2 . 34870 1 692 . 1 . 1 59 59 GLY HA3 H 1 4.087 0.002 . 2 . . . . A 55 GLY HA3 . 34870 1 693 . 1 . 1 59 59 GLY C C 13 176.707 0.000 . 1 . . . . A 55 GLY C . 34870 1 694 . 1 . 1 59 59 GLY CA C 13 47.295 0.013 . 1 . . . . A 55 GLY CA . 34870 1 695 . 1 . 1 59 59 GLY N N 15 109.521 0.027 . 1 . . . . A 55 GLY N . 34870 1 696 . 1 . 1 60 60 ALA H H 1 8.055 0.002 . 1 . . . . A 56 ALA H . 34870 1 697 . 1 . 1 60 60 ALA HA H 1 4.076 0.003 . 1 . . . . A 56 ALA HA . 34870 1 698 . 1 . 1 60 60 ALA HB1 H 1 1.358 0.003 . 1 . . . . A 56 ALA HB1 . 34870 1 699 . 1 . 1 60 60 ALA HB2 H 1 1.358 0.003 . 1 . . . . A 56 ALA HB2 . 34870 1 700 . 1 . 1 60 60 ALA HB3 H 1 1.358 0.003 . 1 . . . . A 56 ALA HB3 . 34870 1 701 . 1 . 1 60 60 ALA C C 13 180.850 0.000 . 1 . . . . A 56 ALA C . 34870 1 702 . 1 . 1 60 60 ALA CA C 13 54.869 0.010 . 1 . . . . A 56 ALA CA . 34870 1 703 . 1 . 1 60 60 ALA CB C 13 18.124 0.057 . 1 . . . . A 56 ALA CB . 34870 1 704 . 1 . 1 60 60 ALA N N 15 123.044 0.032 . 1 . . . . A 56 ALA N . 34870 1 705 . 1 . 1 61 61 ASP H H 1 7.703 0.003 . 1 . . . . A 57 ASP H . 34870 1 706 . 1 . 1 61 61 ASP HA H 1 4.341 0.005 . 1 . . . . A 57 ASP HA . 34870 1 707 . 1 . 1 61 61 ASP HB2 H 1 2.524 0.002 . 2 . . . . A 57 ASP HB2 . 34870 1 708 . 1 . 1 61 61 ASP HB3 H 1 3.120 0.004 . 2 . . . . A 57 ASP HB3 . 34870 1 709 . 1 . 1 61 61 ASP C C 13 178.320 0.000 . 1 . . . . A 57 ASP C . 34870 1 710 . 1 . 1 61 61 ASP CA C 13 57.073 0.031 . 1 . . . . A 57 ASP CA . 34870 1 711 . 1 . 1 61 61 ASP CB C 13 41.050 0.012 . 1 . . . . A 57 ASP CB . 34870 1 712 . 1 . 1 61 61 ASP N N 15 118.006 0.046 . 1 . . . . A 57 ASP N . 34870 1 713 . 1 . 1 62 62 LEU H H 1 7.520 0.003 . 1 . . . . A 58 LEU H . 34870 1 714 . 1 . 1 62 62 LEU HA H 1 4.171 0.008 . 1 . . . . A 58 LEU HA . 34870 1 715 . 1 . 1 62 62 LEU HB2 H 1 2.054 0.005 . 2 . . . . A 58 LEU HB2 . 34870 1 716 . 1 . 1 62 62 LEU HB3 H 1 1.464 0.005 . 2 . . . . A 58 LEU HB3 . 34870 1 717 . 1 . 1 62 62 LEU HG H 1 1.866 0.004 . 1 . . . . A 58 LEU HG . 34870 1 718 . 1 . 1 62 62 LEU HD11 H 1 0.603 0.005 . 2 . . . . A 58 LEU HD11 . 34870 1 719 . 1 . 1 62 62 LEU HD12 H 1 0.603 0.005 . 2 . . . . A 58 LEU HD12 . 34870 1 720 . 1 . 1 62 62 LEU HD13 H 1 0.603 0.005 . 2 . . . . A 58 LEU HD13 . 34870 1 721 . 1 . 1 62 62 LEU HD21 H 1 0.890 0.006 . 2 . . . . A 58 LEU HD21 . 34870 1 722 . 1 . 1 62 62 LEU HD22 H 1 0.890 0.006 . 2 . . . . A 58 LEU HD22 . 34870 1 723 . 1 . 1 62 62 LEU HD23 H 1 0.890 0.006 . 2 . . . . A 58 LEU HD23 . 34870 1 724 . 1 . 1 62 62 LEU C C 13 177.375 0.000 . 1 . . . . A 58 LEU C . 34870 1 725 . 1 . 1 62 62 LEU CA C 13 55.436 0.022 . 1 . . . . A 58 LEU CA . 34870 1 726 . 1 . 1 62 62 LEU CB C 13 42.163 0.038 . 1 . . . . A 58 LEU CB . 34870 1 727 . 1 . 1 62 62 LEU CG C 13 26.524 0.065 . 1 . . . . A 58 LEU CG . 34870 1 728 . 1 . 1 62 62 LEU CD1 C 13 23.382 0.010 . 2 . . . . A 58 LEU CD1 . 34870 1 729 . 1 . 1 62 62 LEU CD2 C 13 26.600 0.103 . 2 . . . . A 58 LEU CD2 . 34870 1 730 . 1 . 1 62 62 LEU N N 15 116.938 0.055 . 1 . . . . A 58 LEU N . 34870 1 731 . 1 . 1 63 63 ALA H H 1 7.860 0.010 . 1 . . . . A 59 ALA H . 34870 1 732 . 1 . 1 63 63 ALA HA H 1 4.116 0.004 . 1 . . . . A 59 ALA HA . 34870 1 733 . 1 . 1 63 63 ALA HB1 H 1 1.471 0.003 . 1 . . . . A 59 ALA HB1 . 34870 1 734 . 1 . 1 63 63 ALA HB2 H 1 1.471 0.003 . 1 . . . . A 59 ALA HB2 . 34870 1 735 . 1 . 1 63 63 ALA HB3 H 1 1.471 0.003 . 1 . . . . A 59 ALA HB3 . 34870 1 736 . 1 . 1 63 63 ALA C C 13 177.435 0.000 . 1 . . . . A 59 ALA C . 34870 1 737 . 1 . 1 63 63 ALA CA C 13 53.234 0.011 . 1 . . . . A 59 ALA CA . 34870 1 738 . 1 . 1 63 63 ALA CB C 13 19.077 0.009 . 1 . . . . A 59 ALA CB . 34870 1 739 . 1 . 1 63 63 ALA N N 15 121.762 0.043 . 1 . . . . A 59 ALA N . 34870 1 740 . 1 . 1 64 64 ALA H H 1 7.813 0.006 . 1 . . . . A 60 ALA H . 34870 1 741 . 1 . 1 64 64 ALA HA H 1 4.408 0.002 . 1 . . . . A 60 ALA HA . 34870 1 742 . 1 . 1 64 64 ALA HB1 H 1 1.438 0.007 . 1 . . . . A 60 ALA HB1 . 34870 1 743 . 1 . 1 64 64 ALA HB2 H 1 1.438 0.007 . 1 . . . . A 60 ALA HB2 . 34870 1 744 . 1 . 1 64 64 ALA HB3 H 1 1.438 0.007 . 1 . . . . A 60 ALA HB3 . 34870 1 745 . 1 . 1 64 64 ALA C C 13 177.406 0.000 . 1 . . . . A 60 ALA C . 34870 1 746 . 1 . 1 64 64 ALA CA C 13 52.240 0.016 . 1 . . . . A 60 ALA CA . 34870 1 747 . 1 . 1 64 64 ALA CB C 13 17.955 0.011 . 1 . . . . A 60 ALA CB . 34870 1 748 . 1 . 1 64 64 ALA N N 15 120.396 0.028 . 1 . . . . A 60 ALA N . 34870 1 749 . 1 . 1 65 65 GLY H H 1 7.694 0.004 . 1 . . . . A 61 GLY H . 34870 1 750 . 1 . 1 65 65 GLY HA2 H 1 3.660 0.005 . 2 . . . . A 61 GLY HA2 . 34870 1 751 . 1 . 1 65 65 GLY HA3 H 1 4.371 0.009 . 2 . . . . A 61 GLY HA3 . 34870 1 752 . 1 . 1 65 65 GLY C C 13 174.124 0.000 . 1 . . . . A 61 GLY C . 34870 1 753 . 1 . 1 65 65 GLY CA C 13 45.506 0.010 . 1 . . . . A 61 GLY CA . 34870 1 754 . 1 . 1 65 65 GLY N N 15 105.643 0.035 . 1 . . . . A 61 GLY N . 34870 1 755 . 1 . 1 66 66 ALA H H 1 7.126 0.003 . 1 . . . . A 62 ALA H . 34870 1 756 . 1 . 1 66 66 ALA HA H 1 4.522 0.003 . 1 . . . . A 62 ALA HA . 34870 1 757 . 1 . 1 66 66 ALA HB1 H 1 1.409 0.003 . 1 . . . . A 62 ALA HB1 . 34870 1 758 . 1 . 1 66 66 ALA HB2 H 1 1.409 0.003 . 1 . . . . A 62 ALA HB2 . 34870 1 759 . 1 . 1 66 66 ALA HB3 H 1 1.409 0.003 . 1 . . . . A 62 ALA HB3 . 34870 1 760 . 1 . 1 66 66 ALA C C 13 177.744 0.000 . 1 . . . . A 62 ALA C . 34870 1 761 . 1 . 1 66 66 ALA CA C 13 53.364 0.041 . 1 . . . . A 62 ALA CA . 34870 1 762 . 1 . 1 66 66 ALA CB C 13 19.620 0.014 . 1 . . . . A 62 ALA CB . 34870 1 763 . 1 . 1 66 66 ALA N N 15 121.390 0.029 . 1 . . . . A 62 ALA N . 34870 1 764 . 1 . 1 67 67 THR H H 1 8.731 0.003 . 1 . . . . A 63 THR H . 34870 1 765 . 1 . 1 67 67 THR HA H 1 4.636 0.003 . 1 . . . . A 63 THR HA . 34870 1 766 . 1 . 1 67 67 THR HB H 1 4.536 0.006 . 1 . . . . A 63 THR HB . 34870 1 767 . 1 . 1 67 67 THR HG21 H 1 0.989 0.003 . 1 . . . . A 63 THR HG21 . 34870 1 768 . 1 . 1 67 67 THR HG22 H 1 0.989 0.003 . 1 . . . . A 63 THR HG22 . 34870 1 769 . 1 . 1 67 67 THR HG23 H 1 0.989 0.003 . 1 . . . . A 63 THR HG23 . 34870 1 770 . 1 . 1 67 67 THR C C 13 175.314 0.000 . 1 . . . . A 63 THR C . 34870 1 771 . 1 . 1 67 67 THR CA C 13 59.174 0.012 . 1 . . . . A 63 THR CA . 34870 1 772 . 1 . 1 67 67 THR CB C 13 72.391 0.027 . 1 . . . . A 63 THR CB . 34870 1 773 . 1 . 1 67 67 THR CG2 C 13 21.118 0.015 . 1 . . . . A 63 THR CG2 . 34870 1 774 . 1 . 1 67 67 THR N N 15 113.293 0.028 . 1 . . . . A 63 THR N . 34870 1 775 . 1 . 1 68 68 VAL H H 1 9.885 0.003 . 1 . . . . A 64 VAL H . 34870 1 776 . 1 . 1 68 68 VAL HA H 1 3.331 0.002 . 1 . . . . A 64 VAL HA . 34870 1 777 . 1 . 1 68 68 VAL HB H 1 2.094 0.007 . 1 . . . . A 64 VAL HB . 34870 1 778 . 1 . 1 68 68 VAL HG11 H 1 1.085 0.010 . 2 . . . . A 64 VAL HG11 . 34870 1 779 . 1 . 1 68 68 VAL HG12 H 1 1.085 0.010 . 2 . . . . A 64 VAL HG12 . 34870 1 780 . 1 . 1 68 68 VAL HG13 H 1 1.085 0.010 . 2 . . . . A 64 VAL HG13 . 34870 1 781 . 1 . 1 68 68 VAL HG21 H 1 0.808 0.007 . 2 . . . . A 64 VAL HG21 . 34870 1 782 . 1 . 1 68 68 VAL HG22 H 1 0.808 0.007 . 2 . . . . A 64 VAL HG22 . 34870 1 783 . 1 . 1 68 68 VAL HG23 H 1 0.808 0.007 . 2 . . . . A 64 VAL HG23 . 34870 1 784 . 1 . 1 68 68 VAL C C 13 176.992 0.000 . 1 . . . . A 64 VAL C . 34870 1 785 . 1 . 1 68 68 VAL CA C 13 67.770 0.011 . 1 . . . . A 64 VAL CA . 34870 1 786 . 1 . 1 68 68 VAL CB C 13 31.110 0.028 . 1 . . . . A 64 VAL CB . 34870 1 787 . 1 . 1 68 68 VAL CG1 C 13 24.777 0.014 . 2 . . . . A 64 VAL CG1 . 34870 1 788 . 1 . 1 68 68 VAL CG2 C 13 21.140 0.015 . 2 . . . . A 64 VAL CG2 . 34870 1 789 . 1 . 1 68 68 VAL N N 15 121.846 0.025 . 1 . . . . A 64 VAL N . 34870 1 790 . 1 . 1 69 69 ALA H H 1 8.499 0.003 . 1 . . . . A 65 ALA H . 34870 1 791 . 1 . 1 69 69 ALA HA H 1 3.865 0.005 . 1 . . . . A 65 ALA HA . 34870 1 792 . 1 . 1 69 69 ALA HB1 H 1 1.245 0.005 . 1 . . . . A 65 ALA HB1 . 34870 1 793 . 1 . 1 69 69 ALA HB2 H 1 1.245 0.005 . 1 . . . . A 65 ALA HB2 . 34870 1 794 . 1 . 1 69 69 ALA HB3 H 1 1.245 0.005 . 1 . . . . A 65 ALA HB3 . 34870 1 795 . 1 . 1 69 69 ALA C C 13 180.540 0.000 . 1 . . . . A 65 ALA C . 34870 1 796 . 1 . 1 69 69 ALA CA C 13 55.565 0.018 . 1 . . . . A 65 ALA CA . 34870 1 797 . 1 . 1 69 69 ALA CB C 13 17.823 0.014 . 1 . . . . A 65 ALA CB . 34870 1 798 . 1 . 1 69 69 ALA N N 15 121.138 0.035 . 1 . . . . A 65 ALA N . 34870 1 799 . 1 . 1 70 70 ASP H H 1 7.894 0.010 . 1 . . . . A 66 ASP H . 34870 1 800 . 1 . 1 70 70 ASP HA H 1 4.355 0.004 . 1 . . . . A 66 ASP HA . 34870 1 801 . 1 . 1 70 70 ASP HB2 H 1 2.723 0.005 . 2 . . . . A 66 ASP HB2 . 34870 1 802 . 1 . 1 70 70 ASP HB3 H 1 3.023 0.003 . 2 . . . . A 66 ASP HB3 . 34870 1 803 . 1 . 1 70 70 ASP C C 13 178.900 0.000 . 1 . . . . A 66 ASP C . 34870 1 804 . 1 . 1 70 70 ASP CA C 13 57.435 0.021 . 1 . . . . A 66 ASP CA . 34870 1 805 . 1 . 1 70 70 ASP CB C 13 41.329 0.033 . 1 . . . . A 66 ASP CB . 34870 1 806 . 1 . 1 70 70 ASP N N 15 119.230 0.025 . 1 . . . . A 66 ASP N . 34870 1 807 . 1 . 1 71 71 VAL H H 1 8.069 0.008 . 1 . . . . A 67 VAL H . 34870 1 808 . 1 . 1 71 71 VAL HA H 1 3.362 0.007 . 1 . . . . A 67 VAL HA . 34870 1 809 . 1 . 1 71 71 VAL HB H 1 2.073 0.003 . 1 . . . . A 67 VAL HB . 34870 1 810 . 1 . 1 71 71 VAL HG11 H 1 0.715 0.003 . 2 . . . . A 67 VAL HG11 . 34870 1 811 . 1 . 1 71 71 VAL HG12 H 1 0.715 0.003 . 2 . . . . A 67 VAL HG12 . 34870 1 812 . 1 . 1 71 71 VAL HG13 H 1 0.715 0.003 . 2 . . . . A 67 VAL HG13 . 34870 1 813 . 1 . 1 71 71 VAL HG21 H 1 0.855 0.011 . 2 . . . . A 67 VAL HG21 . 34870 1 814 . 1 . 1 71 71 VAL HG22 H 1 0.855 0.011 . 2 . . . . A 67 VAL HG22 . 34870 1 815 . 1 . 1 71 71 VAL HG23 H 1 0.855 0.011 . 2 . . . . A 67 VAL HG23 . 34870 1 816 . 1 . 1 71 71 VAL C C 13 177.818 0.000 . 1 . . . . A 67 VAL C . 34870 1 817 . 1 . 1 71 71 VAL CA C 13 66.563 0.011 . 1 . . . . A 67 VAL CA . 34870 1 818 . 1 . 1 71 71 VAL CB C 13 31.648 0.018 . 1 . . . . A 67 VAL CB . 34870 1 819 . 1 . 1 71 71 VAL CG1 C 13 22.173 0.024 . 2 . . . . A 67 VAL CG1 . 34870 1 820 . 1 . 1 71 71 VAL CG2 C 13 22.983 0.040 . 2 . . . . A 67 VAL CG2 . 34870 1 821 . 1 . 1 71 71 VAL N N 15 121.487 0.025 . 1 . . . . A 67 VAL N . 34870 1 822 . 1 . 1 72 72 ALA H H 1 8.826 0.005 . 1 . . . . A 68 ALA H . 34870 1 823 . 1 . 1 72 72 ALA HA H 1 3.773 0.004 . 1 . . . . A 68 ALA HA . 34870 1 824 . 1 . 1 72 72 ALA HB1 H 1 1.283 0.006 . 1 . . . . A 68 ALA HB1 . 34870 1 825 . 1 . 1 72 72 ALA HB2 H 1 1.283 0.006 . 1 . . . . A 68 ALA HB2 . 34870 1 826 . 1 . 1 72 72 ALA HB3 H 1 1.283 0.006 . 1 . . . . A 68 ALA HB3 . 34870 1 827 . 1 . 1 72 72 ALA C C 13 178.973 0.000 . 1 . . . . A 68 ALA C . 34870 1 828 . 1 . 1 72 72 ALA CA C 13 55.095 0.012 . 1 . . . . A 68 ALA CA . 34870 1 829 . 1 . 1 72 72 ALA CB C 13 17.628 0.015 . 1 . . . . A 68 ALA CB . 34870 1 830 . 1 . 1 72 72 ALA N N 15 120.689 0.030 . 1 . . . . A 68 ALA N . 34870 1 831 . 1 . 1 73 73 ALA H H 1 7.600 0.004 . 1 . . . . A 69 ALA H . 34870 1 832 . 1 . 1 73 73 ALA HA H 1 4.177 0.003 . 1 . . . . A 69 ALA HA . 34870 1 833 . 1 . 1 73 73 ALA HB1 H 1 1.532 0.002 . 1 . . . . A 69 ALA HB1 . 34870 1 834 . 1 . 1 73 73 ALA HB2 H 1 1.532 0.002 . 1 . . . . A 69 ALA HB2 . 34870 1 835 . 1 . 1 73 73 ALA HB3 H 1 1.532 0.002 . 1 . . . . A 69 ALA HB3 . 34870 1 836 . 1 . 1 73 73 ALA C C 13 179.897 0.000 . 1 . . . . A 69 ALA C . 34870 1 837 . 1 . 1 73 73 ALA CA C 13 54.751 0.027 . 1 . . . . A 69 ALA CA . 34870 1 838 . 1 . 1 73 73 ALA CB C 13 18.128 0.058 . 1 . . . . A 69 ALA CB . 34870 1 839 . 1 . 1 73 73 ALA N N 15 118.610 0.019 . 1 . . . . A 69 ALA N . 34870 1 840 . 1 . 1 74 74 ARG H H 1 7.589 0.006 . 1 . . . . A 70 ARG H . 34870 1 841 . 1 . 1 74 74 ARG HA H 1 4.173 0.004 . 1 . . . . A 70 ARG HA . 34870 1 842 . 1 . 1 74 74 ARG HB2 H 1 1.933 0.011 . 2 . . . . A 70 ARG HB2 . 34870 1 843 . 1 . 1 74 74 ARG HB3 H 1 1.933 0.010 . 2 . . . . A 70 ARG HB3 . 34870 1 844 . 1 . 1 74 74 ARG HG2 H 1 1.672 0.014 . 2 . . . . A 70 ARG HG2 . 34870 1 845 . 1 . 1 74 74 ARG HG3 H 1 1.806 0.006 . 2 . . . . A 70 ARG HG3 . 34870 1 846 . 1 . 1 74 74 ARG HD2 H 1 3.105 0.003 . 1 . . . . A 70 ARG HD2 . 34870 1 847 . 1 . 1 74 74 ARG HD3 H 1 3.105 0.003 . 1 . . . . A 70 ARG HD3 . 34870 1 848 . 1 . 1 74 74 ARG C C 13 178.114 0.000 . 1 . . . . A 70 ARG C . 34870 1 849 . 1 . 1 74 74 ARG CA C 13 57.925 0.035 . 1 . . . . A 70 ARG CA . 34870 1 850 . 1 . 1 74 74 ARG CB C 13 30.142 0.053 . 1 . . . . A 70 ARG CB . 34870 1 851 . 1 . 1 74 74 ARG CG C 13 27.189 0.049 . 1 . . . . A 70 ARG CG . 34870 1 852 . 1 . 1 74 74 ARG CD C 13 43.642 0.010 . 1 . . . . A 70 ARG CD . 34870 1 853 . 1 . 1 74 74 ARG N N 15 117.319 0.027 . 1 . . . . A 70 ARG N . 34870 1 854 . 1 . 1 75 75 MET H H 1 7.685 0.005 . 1 . . . . A 71 MET H . 34870 1 855 . 1 . 1 75 75 MET HA H 1 4.157 0.009 . 1 . . . . A 71 MET HA . 34870 1 856 . 1 . 1 75 75 MET HB2 H 1 1.707 0.004 . 2 . . . . A 71 MET HB2 . 34870 1 857 . 1 . 1 75 75 MET HB3 H 1 1.904 0.006 . 2 . . . . A 71 MET HB3 . 34870 1 858 . 1 . 1 75 75 MET HG2 H 1 2.167 0.003 . 2 . . . . A 71 MET HG2 . 34870 1 859 . 1 . 1 75 75 MET HG3 H 1 2.310 0.007 . 2 . . . . A 71 MET HG3 . 34870 1 860 . 1 . 1 75 75 MET HE1 H 1 1.578 0.003 . 1 . . . . A 71 MET HE1 . 34870 1 861 . 1 . 1 75 75 MET HE2 H 1 1.578 0.003 . 1 . . . . A 71 MET HE2 . 34870 1 862 . 1 . 1 75 75 MET HE3 H 1 1.578 0.003 . 1 . . . . A 71 MET HE3 . 34870 1 863 . 1 . 1 75 75 MET C C 13 176.632 0.000 . 1 . . . . A 71 MET C . 34870 1 864 . 1 . 1 75 75 MET CA C 13 56.838 0.017 . 1 . . . . A 71 MET CA . 34870 1 865 . 1 . 1 75 75 MET CB C 13 33.202 0.027 . 1 . . . . A 71 MET CB . 34870 1 866 . 1 . 1 75 75 MET CG C 13 32.345 0.066 . 1 . . . . A 71 MET CG . 34870 1 867 . 1 . 1 75 75 MET CE C 13 18.059 0.019 . 1 . . . . A 71 MET CE . 34870 1 868 . 1 . 1 75 75 MET N N 15 116.993 0.025 . 1 . . . . A 71 MET N . 34870 1 869 . 1 . 1 76 76 ASP H H 1 7.744 0.003 . 1 . . . . A 72 ASP H . 34870 1 870 . 1 . 1 76 76 ASP HA H 1 4.529 0.009 . 1 . . . . A 72 ASP HA . 34870 1 871 . 1 . 1 76 76 ASP HB2 H 1 2.643 0.004 . 2 . . . . A 72 ASP HB2 . 34870 1 872 . 1 . 1 76 76 ASP HB3 H 1 2.739 0.003 . 2 . . . . A 72 ASP HB3 . 34870 1 873 . 1 . 1 76 76 ASP C C 13 176.595 0.000 . 1 . . . . A 72 ASP C . 34870 1 874 . 1 . 1 76 76 ASP CA C 13 55.224 0.016 . 1 . . . . A 72 ASP CA . 34870 1 875 . 1 . 1 76 76 ASP CB C 13 41.447 0.042 . 1 . . . . A 72 ASP CB . 34870 1 876 . 1 . 1 76 76 ASP N N 15 119.437 0.039 . 1 . . . . A 72 ASP N . 34870 1 877 . 1 . 1 77 77 ASP H H 1 7.988 0.003 . 1 . . . . A 73 ASP H . 34870 1 878 . 1 . 1 77 77 ASP HA H 1 4.567 0.007 . 1 . . . . A 73 ASP HA . 34870 1 879 . 1 . 1 77 77 ASP HB2 H 1 2.734 0.003 . 1 . . . . A 73 ASP HB2 . 34870 1 880 . 1 . 1 77 77 ASP HB3 H 1 2.735 0.003 . 1 . . . . A 73 ASP HB3 . 34870 1 881 . 1 . 1 77 77 ASP C C 13 176.789 0.000 . 1 . . . . A 73 ASP C . 34870 1 882 . 1 . 1 77 77 ASP CA C 13 54.938 0.045 . 1 . . . . A 73 ASP CA . 34870 1 883 . 1 . 1 77 77 ASP CB C 13 41.160 0.026 . 1 . . . . A 73 ASP CB . 34870 1 884 . 1 . 1 77 77 ASP N N 15 120.347 0.046 . 1 . . . . A 73 ASP N . 34870 1 885 . 1 . 1 78 78 ARG H H 1 8.053 0.009 . 1 . . . . A 74 ARG H . 34870 1 886 . 1 . 1 78 78 ARG HA H 1 4.320 0.006 . 1 . . . . A 74 ARG HA . 34870 1 887 . 1 . 1 78 78 ARG HB2 H 1 1.847 0.016 . 2 . . . . A 74 ARG HB2 . 34870 1 888 . 1 . 1 78 78 ARG HB3 H 1 1.966 0.007 . 2 . . . . A 74 ARG HB3 . 34870 1 889 . 1 . 1 78 78 ARG HG2 H 1 1.693 0.012 . 2 . . . . A 74 ARG HG2 . 34870 1 890 . 1 . 1 78 78 ARG HG3 H 1 1.691 0.008 . 2 . . . . A 74 ARG HG3 . 34870 1 891 . 1 . 1 78 78 ARG HD2 H 1 3.221 0.009 . 1 . . . . A 74 ARG HD2 . 34870 1 892 . 1 . 1 78 78 ARG HD3 H 1 3.221 0.009 . 1 . . . . A 74 ARG HD3 . 34870 1 893 . 1 . 1 78 78 ARG C C 13 176.871 0.000 . 1 . . . . A 74 ARG C . 34870 1 894 . 1 . 1 78 78 ARG CA C 13 56.226 0.061 . 1 . . . . A 74 ARG CA . 34870 1 895 . 1 . 1 78 78 ARG CB C 13 30.335 0.035 . 1 . . . . A 74 ARG CB . 34870 1 896 . 1 . 1 78 78 ARG CG C 13 27.065 0.012 . 1 . . . . A 74 ARG CG . 34870 1 897 . 1 . 1 78 78 ARG CD C 13 43.418 0.039 . 1 . . . . A 74 ARG CD . 34870 1 898 . 1 . 1 78 78 ARG N N 15 119.906 0.069 . 1 . . . . A 74 ARG N . 34870 1 899 . 1 . 1 79 79 ARG H H 1 8.174 0.010 . 1 . . . . A 75 ARG H . 34870 1 900 . 1 . 1 79 79 ARG HA H 1 4.284 0.012 . 1 . . . . A 75 ARG HA . 34870 1 901 . 1 . 1 79 79 ARG HB2 H 1 1.859 0.035 . 1 . . . . A 75 ARG HB2 . 34870 1 902 . 1 . 1 79 79 ARG HB3 H 1 1.859 0.035 . 1 . . . . A 75 ARG HB3 . 34870 1 903 . 1 . 1 79 79 ARG HG2 H 1 1.668 0.023 . 1 . . . . A 75 ARG HG2 . 34870 1 904 . 1 . 1 79 79 ARG HG3 H 1 1.668 0.024 . 1 . . . . A 75 ARG HG3 . 34870 1 905 . 1 . 1 79 79 ARG HD2 H 1 3.211 0.010 . 1 . . . . A 75 ARG HD2 . 34870 1 906 . 1 . 1 79 79 ARG HD3 H 1 3.211 0.010 . 1 . . . . A 75 ARG HD3 . 34870 1 907 . 1 . 1 79 79 ARG C C 13 176.221 0.000 . 1 . . . . A 75 ARG C . 34870 1 908 . 1 . 1 79 79 ARG CA C 13 56.825 0.034 . 1 . . . . A 75 ARG CA . 34870 1 909 . 1 . 1 79 79 ARG CB C 13 30.756 0.106 . 1 . . . . A 75 ARG CB . 34870 1 910 . 1 . 1 79 79 ARG CG C 13 27.075 0.090 . 1 . . . . A 75 ARG CG . 34870 1 911 . 1 . 1 79 79 ARG CD C 13 43.375 0.001 . 1 . . . . A 75 ARG CD . 34870 1 912 . 1 . 1 79 79 ARG N N 15 121.124 0.076 . 1 . . . . A 75 ARG N . 34870 1 913 . 1 . 1 80 80 ASP H H 1 8.350 0.021 . 1 . . . . A 76 ASP H . 34870 1 914 . 1 . 1 80 80 ASP HA H 1 4.623 0.004 . 1 . . . . A 76 ASP HA . 34870 1 915 . 1 . 1 80 80 ASP HB2 H 1 2.602 0.004 . 2 . . . . A 76 ASP HB2 . 34870 1 916 . 1 . 1 80 80 ASP HB3 H 1 2.708 0.002 . 2 . . . . A 76 ASP HB3 . 34870 1 917 . 1 . 1 80 80 ASP C C 13 175.467 0.000 . 1 . . . . A 76 ASP C . 34870 1 918 . 1 . 1 80 80 ASP CA C 13 54.142 0.006 . 1 . . . . A 76 ASP CA . 34870 1 919 . 1 . 1 80 80 ASP CB C 13 41.188 0.077 . 1 . . . . A 76 ASP CB . 34870 1 920 . 1 . 1 80 80 ASP N N 15 120.225 0.023 . 1 . . . . A 76 ASP N . 34870 1 921 . 1 . 1 81 81 ALA H H 1 7.988 0.003 . 1 . . . . A 77 ALA H . 34870 1 922 . 1 . 1 81 81 ALA HA H 1 4.578 0.002 . 1 . . . . A 77 ALA HA . 34870 1 923 . 1 . 1 81 81 ALA HB1 H 1 1.363 0.006 . 1 . . . . A 77 ALA HB1 . 34870 1 924 . 1 . 1 81 81 ALA HB2 H 1 1.363 0.006 . 1 . . . . A 77 ALA HB2 . 34870 1 925 . 1 . 1 81 81 ALA HB3 H 1 1.363 0.006 . 1 . . . . A 77 ALA HB3 . 34870 1 926 . 1 . 1 81 81 ALA CA C 13 50.670 0.080 . 1 . . . . A 77 ALA CA . 34870 1 927 . 1 . 1 81 81 ALA CB C 13 18.245 0.054 . 1 . . . . A 77 ALA CB . 34870 1 928 . 1 . 1 81 81 ALA N N 15 124.898 0.026 . 1 . . . . A 77 ALA N . 34870 1 929 . 1 . 1 82 82 PRO HA H 1 4.420 0.004 . 1 . . . . A 78 PRO HA . 34870 1 930 . 1 . 1 82 82 PRO HB2 H 1 1.880 0.030 . 2 . . . . A 78 PRO HB2 . 34870 1 931 . 1 . 1 82 82 PRO HB3 H 1 2.286 0.004 . 2 . . . . A 78 PRO HB3 . 34870 1 932 . 1 . 1 82 82 PRO HG2 H 1 2.023 0.002 . 1 . . . . A 78 PRO HG2 . 34870 1 933 . 1 . 1 82 82 PRO HG3 H 1 2.023 0.002 . 1 . . . . A 78 PRO HG3 . 34870 1 934 . 1 . 1 82 82 PRO HD2 H 1 3.641 0.002 . 2 . . . . A 78 PRO HD2 . 34870 1 935 . 1 . 1 82 82 PRO HD3 H 1 3.788 0.001 . 2 . . . . A 78 PRO HD3 . 34870 1 936 . 1 . 1 82 82 PRO C C 13 176.788 0.000 . 1 . . . . A 78 PRO C . 34870 1 937 . 1 . 1 82 82 PRO CA C 13 63.070 0.018 . 1 . . . . A 78 PRO CA . 34870 1 938 . 1 . 1 82 82 PRO CB C 13 32.117 0.011 . 1 . . . . A 78 PRO CB . 34870 1 939 . 1 . 1 82 82 PRO CG C 13 27.490 0.025 . 1 . . . . A 78 PRO CG . 34870 1 940 . 1 . 1 82 82 PRO CD C 13 50.488 0.016 . 1 . . . . A 78 PRO CD . 34870 1 941 . 1 . 1 83 83 ARG H H 1 8.459 0.004 . 1 . . . . A 79 ARG H . 34870 1 942 . 1 . 1 83 83 ARG C C 13 176.181 0.000 . 1 . . . . A 79 ARG C . 34870 1 943 . 1 . 1 83 83 ARG CA C 13 55.856 0.022 . 1 . . . . A 79 ARG CA . 34870 1 944 . 1 . 1 83 83 ARG CB C 13 30.761 0.010 . 1 . . . . A 79 ARG CB . 34870 1 945 . 1 . 1 83 83 ARG N N 15 121.696 0.064 . 1 . . . . A 79 ARG N . 34870 1 946 . 1 . 1 84 84 ILE H H 1 8.221 0.003 . 1 . . . . A 80 ILE H . 34870 1 947 . 1 . 1 84 84 ILE HA H 1 4.444 0.002 . 1 . . . . A 80 ILE HA . 34870 1 948 . 1 . 1 84 84 ILE HB H 1 1.899 0.003 . 1 . . . . A 80 ILE HB . 34870 1 949 . 1 . 1 84 84 ILE HG12 H 1 1.186 0.005 . 2 . . . . A 80 ILE HG12 . 34870 1 950 . 1 . 1 84 84 ILE HG13 H 1 1.502 0.003 . 2 . . . . A 80 ILE HG13 . 34870 1 951 . 1 . 1 84 84 ILE HG21 H 1 0.956 0.002 . 1 . . . . A 80 ILE HG21 . 34870 1 952 . 1 . 1 84 84 ILE HG22 H 1 0.956 0.002 . 1 . . . . A 80 ILE HG22 . 34870 1 953 . 1 . 1 84 84 ILE HG23 H 1 0.956 0.002 . 1 . . . . A 80 ILE HG23 . 34870 1 954 . 1 . 1 84 84 ILE HD11 H 1 0.864 0.003 . 1 . . . . A 80 ILE HD11 . 34870 1 955 . 1 . 1 84 84 ILE HD12 H 1 0.864 0.003 . 1 . . . . A 80 ILE HD12 . 34870 1 956 . 1 . 1 84 84 ILE HD13 H 1 0.864 0.003 . 1 . . . . A 80 ILE HD13 . 34870 1 957 . 1 . 1 84 84 ILE CA C 13 58.928 0.023 . 1 . . . . A 80 ILE CA . 34870 1 958 . 1 . 1 84 84 ILE CB C 13 38.369 0.013 . 1 . . . . A 80 ILE CB . 34870 1 959 . 1 . 1 84 84 ILE CG1 C 13 26.997 0.017 . 1 . . . . A 80 ILE CG1 . 34870 1 960 . 1 . 1 84 84 ILE CG2 C 13 17.288 0.011 . 1 . . . . A 80 ILE CG2 . 34870 1 961 . 1 . 1 84 84 ILE CD1 C 13 12.680 0.005 . 1 . . . . A 80 ILE CD1 . 34870 1 962 . 1 . 1 84 84 ILE N N 15 123.677 0.026 . 1 . . . . A 80 ILE N . 34870 1 963 . 1 . 1 85 85 PRO HA H 1 4.350 0.003 . 1 . . . . A 81 PRO HA . 34870 1 964 . 1 . 1 85 85 PRO HB2 H 1 2.287 0.003 . 2 . . . . A 81 PRO HB2 . 34870 1 965 . 1 . 1 85 85 PRO HB3 H 1 1.882 0.007 . 2 . . . . A 81 PRO HB3 . 34870 1 966 . 1 . 1 85 85 PRO HG2 H 1 1.981 0.017 . 2 . . . . A 81 PRO HG2 . 34870 1 967 . 1 . 1 85 85 PRO HG3 H 1 2.043 0.009 . 2 . . . . A 81 PRO HG3 . 34870 1 968 . 1 . 1 85 85 PRO HD2 H 1 3.707 0.003 . 2 . . . . A 81 PRO HD2 . 34870 1 969 . 1 . 1 85 85 PRO HD3 H 1 3.878 0.003 . 2 . . . . A 81 PRO HD3 . 34870 1 970 . 1 . 1 85 85 PRO C C 13 176.865 0.000 . 1 . . . . A 81 PRO C . 34870 1 971 . 1 . 1 85 85 PRO CA C 13 63.566 0.013 . 1 . . . . A 81 PRO CA . 34870 1 972 . 1 . 1 85 85 PRO CB C 13 32.128 0.020 . 1 . . . . A 81 PRO CB . 34870 1 973 . 1 . 1 85 85 PRO CG C 13 27.474 0.049 . 1 . . . . A 81 PRO CG . 34870 1 974 . 1 . 1 85 85 PRO CD C 13 51.024 0.028 . 1 . . . . A 81 PRO CD . 34870 1 975 . 1 . 1 86 86 GLU H H 1 8.481 0.005 . 1 . . . . A 82 GLU H . 34870 1 976 . 1 . 1 86 86 GLU HA H 1 4.218 0.003 . 1 . . . . A 82 GLU HA . 34870 1 977 . 1 . 1 86 86 GLU HB2 H 1 2.013 0.003 . 2 . . . . A 82 GLU HB2 . 34870 1 978 . 1 . 1 86 86 GLU HB3 H 1 1.949 0.006 . 2 . . . . A 82 GLU HB3 . 34870 1 979 . 1 . 1 86 86 GLU HG2 H 1 2.270 0.005 . 1 . . . . A 82 GLU HG2 . 34870 1 980 . 1 . 1 86 86 GLU HG3 H 1 2.270 0.004 . 1 . . . . A 82 GLU HG3 . 34870 1 981 . 1 . 1 86 86 GLU C C 13 176.571 0.000 . 1 . . . . A 82 GLU C . 34870 1 982 . 1 . 1 86 86 GLU CA C 13 56.862 0.051 . 1 . . . . A 82 GLU CA . 34870 1 983 . 1 . 1 86 86 GLU CB C 13 30.279 0.033 . 1 . . . . A 82 GLU CB . 34870 1 984 . 1 . 1 86 86 GLU CG C 13 36.480 0.008 . 1 . . . . A 82 GLU CG . 34870 1 985 . 1 . 1 86 86 GLU N N 15 120.844 0.048 . 1 . . . . A 82 GLU N . 34870 1 986 . 1 . 1 87 87 LEU H H 1 8.232 0.005 . 1 . . . . A 83 LEU H . 34870 1 987 . 1 . 1 87 87 LEU HA H 1 4.344 0.008 . 1 . . . . A 83 LEU HA . 34870 1 988 . 1 . 1 87 87 LEU HB2 H 1 1.596 0.014 . 2 . . . . A 83 LEU HB2 . 34870 1 989 . 1 . 1 87 87 LEU HB3 H 1 1.633 0.013 . 2 . . . . A 83 LEU HB3 . 34870 1 990 . 1 . 1 87 87 LEU HG H 1 1.601 0.003 . 1 . . . . A 83 LEU HG . 34870 1 991 . 1 . 1 87 87 LEU HD11 H 1 0.863 0.003 . 2 . . . . A 83 LEU HD11 . 34870 1 992 . 1 . 1 87 87 LEU HD12 H 1 0.863 0.003 . 2 . . . . A 83 LEU HD12 . 34870 1 993 . 1 . 1 87 87 LEU HD13 H 1 0.863 0.003 . 2 . . . . A 83 LEU HD13 . 34870 1 994 . 1 . 1 87 87 LEU HD21 H 1 0.918 0.004 . 2 . . . . A 83 LEU HD21 . 34870 1 995 . 1 . 1 87 87 LEU HD22 H 1 0.918 0.004 . 2 . . . . A 83 LEU HD22 . 34870 1 996 . 1 . 1 87 87 LEU HD23 H 1 0.918 0.004 . 2 . . . . A 83 LEU HD23 . 34870 1 997 . 1 . 1 87 87 LEU C C 13 177.356 0.000 . 1 . . . . A 83 LEU C . 34870 1 998 . 1 . 1 87 87 LEU CA C 13 55.256 0.077 . 1 . . . . A 83 LEU CA . 34870 1 999 . 1 . 1 87 87 LEU CB C 13 42.311 0.040 . 1 . . . . A 83 LEU CB . 34870 1 1000 . 1 . 1 87 87 LEU CG C 13 27.095 0.044 . 1 . . . . A 83 LEU CG . 34870 1 1001 . 1 . 1 87 87 LEU CD1 C 13 23.609 0.046 . 2 . . . . A 83 LEU CD1 . 34870 1 1002 . 1 . 1 87 87 LEU CD2 C 13 26.417 0.001 . 2 . . . . A 83 LEU CD2 . 34870 1 1003 . 1 . 1 87 87 LEU N N 15 123.528 0.040 . 1 . . . . A 83 LEU N . 34870 1 1004 . 1 . 1 88 88 ARG H H 1 8.310 0.007 . 1 . . . . A 84 ARG H . 34870 1 1005 . 1 . 1 88 88 ARG HA H 1 4.332 0.008 . 1 . . . . A 84 ARG HA . 34870 1 1006 . 1 . 1 88 88 ARG HB2 H 1 1.776 0.017 . 2 . . . . A 84 ARG HB2 . 34870 1 1007 . 1 . 1 88 88 ARG HB3 H 1 1.874 0.003 . 2 . . . . A 84 ARG HB3 . 34870 1 1008 . 1 . 1 88 88 ARG HG2 H 1 1.631 0.023 . 2 . . . . A 84 ARG HG2 . 34870 1 1009 . 1 . 1 88 88 ARG HG3 H 1 1.629 0.018 . 2 . . . . A 84 ARG HG3 . 34870 1 1010 . 1 . 1 88 88 ARG C C 13 175.963 0.000 . 1 . . . . A 84 ARG C . 34870 1 1011 . 1 . 1 88 88 ARG CA C 13 56.063 0.012 . 1 . . . . A 84 ARG CA . 34870 1 1012 . 1 . 1 88 88 ARG CB C 13 30.772 0.075 . 1 . . . . A 84 ARG CB . 34870 1 1013 . 1 . 1 88 88 ARG CG C 13 27.105 0.010 . 1 . . . . A 84 ARG CG . 34870 1 1014 . 1 . 1 88 88 ARG N N 15 121.888 0.032 . 1 . . . . A 84 ARG N . 34870 1 1015 . 1 . 1 89 89 ALA H H 1 8.277 0.009 . 1 . . . . A 85 ALA H . 34870 1 1016 . 1 . 1 89 89 ALA HA H 1 4.295 0.006 . 1 . . . . A 85 ALA HA . 34870 1 1017 . 1 . 1 89 89 ALA HB1 H 1 1.397 0.003 . 1 . . . . A 85 ALA HB1 . 34870 1 1018 . 1 . 1 89 89 ALA HB2 H 1 1.397 0.003 . 1 . . . . A 85 ALA HB2 . 34870 1 1019 . 1 . 1 89 89 ALA HB3 H 1 1.397 0.003 . 1 . . . . A 85 ALA HB3 . 34870 1 1020 . 1 . 1 89 89 ALA C C 13 178.224 0.000 . 1 . . . . A 85 ALA C . 34870 1 1021 . 1 . 1 89 89 ALA CA C 13 52.801 0.011 . 1 . . . . A 85 ALA CA . 34870 1 1022 . 1 . 1 89 89 ALA CB C 13 19.316 0.171 . 1 . . . . A 85 ALA CB . 34870 1 1023 . 1 . 1 89 89 ALA N N 15 125.089 0.032 . 1 . . . . A 85 ALA N . 34870 1 1024 . 1 . 1 90 90 GLY H H 1 8.372 0.004 . 1 . . . . A 86 GLY H . 34870 1 1025 . 1 . 1 90 90 GLY HA2 H 1 3.934 0.002 . 2 . . . . A 86 GLY HA2 . 34870 1 1026 . 1 . 1 90 90 GLY HA3 H 1 3.965 0.024 . 2 . . . . A 86 GLY HA3 . 34870 1 1027 . 1 . 1 90 90 GLY C C 13 174.017 0.000 . 1 . . . . A 86 GLY C . 34870 1 1028 . 1 . 1 90 90 GLY CA C 13 45.301 0.047 . 1 . . . . A 86 GLY CA . 34870 1 1029 . 1 . 1 90 90 GLY N N 15 108.205 0.029 . 1 . . . . A 86 GLY N . 34870 1 1030 . 1 . 1 91 91 LEU H H 1 7.974 0.005 . 1 . . . . A 87 LEU H . 34870 1 1031 . 1 . 1 91 91 LEU HA H 1 4.365 0.006 . 1 . . . . A 87 LEU HA . 34870 1 1032 . 1 . 1 91 91 LEU HB2 H 1 1.598 0.005 . 1 . . . . A 87 LEU HB2 . 34870 1 1033 . 1 . 1 91 91 LEU HB3 H 1 1.597 0.005 . 1 . . . . A 87 LEU HB3 . 34870 1 1034 . 1 . 1 91 91 LEU HG H 1 1.600 0.004 . 1 . . . . A 87 LEU HG . 34870 1 1035 . 1 . 1 91 91 LEU HD11 H 1 0.865 0.003 . 2 . . . . A 87 LEU HD11 . 34870 1 1036 . 1 . 1 91 91 LEU HD12 H 1 0.865 0.003 . 2 . . . . A 87 LEU HD12 . 34870 1 1037 . 1 . 1 91 91 LEU HD13 H 1 0.865 0.003 . 2 . . . . A 87 LEU HD13 . 34870 1 1038 . 1 . 1 91 91 LEU HD21 H 1 0.917 0.009 . 2 . . . . A 87 LEU HD21 . 34870 1 1039 . 1 . 1 91 91 LEU HD22 H 1 0.917 0.009 . 2 . . . . A 87 LEU HD22 . 34870 1 1040 . 1 . 1 91 91 LEU HD23 H 1 0.917 0.009 . 2 . . . . A 87 LEU HD23 . 34870 1 1041 . 1 . 1 91 91 LEU C C 13 176.840 0.000 . 1 . . . . A 87 LEU C . 34870 1 1042 . 1 . 1 91 91 LEU CA C 13 54.801 0.061 . 1 . . . . A 87 LEU CA . 34870 1 1043 . 1 . 1 91 91 LEU CB C 13 42.588 0.061 . 1 . . . . A 87 LEU CB . 34870 1 1044 . 1 . 1 91 91 LEU CG C 13 27.043 0.067 . 1 . . . . A 87 LEU CG . 34870 1 1045 . 1 . 1 91 91 LEU CD1 C 13 23.552 0.034 . 2 . . . . A 87 LEU CD1 . 34870 1 1046 . 1 . 1 91 91 LEU CD2 C 13 24.976 0.045 . 2 . . . . A 87 LEU CD2 . 34870 1 1047 . 1 . 1 91 91 LEU N N 15 121.344 0.032 . 1 . . . . A 87 LEU N . 34870 1 1048 . 1 . 1 92 92 ALA H H 1 8.274 0.004 . 1 . . . . A 88 ALA H . 34870 1 1049 . 1 . 1 92 92 ALA HA H 1 4.579 0.003 . 1 . . . . A 88 ALA HA . 34870 1 1050 . 1 . 1 92 92 ALA HB1 H 1 1.362 0.004 . 1 . . . . A 88 ALA HB1 . 34870 1 1051 . 1 . 1 92 92 ALA HB2 H 1 1.362 0.004 . 1 . . . . A 88 ALA HB2 . 34870 1 1052 . 1 . 1 92 92 ALA HB3 H 1 1.362 0.004 . 1 . . . . A 88 ALA HB3 . 34870 1 1053 . 1 . 1 92 92 ALA CA C 13 50.594 0.055 . 1 . . . . A 88 ALA CA . 34870 1 1054 . 1 . 1 92 92 ALA CB C 13 18.249 0.053 . 1 . . . . A 88 ALA CB . 34870 1 1055 . 1 . 1 92 92 ALA N N 15 126.214 0.058 . 1 . . . . A 88 ALA N . 34870 1 1056 . 1 . 1 93 93 PRO HA H 1 4.419 0.006 . 1 . . . . A 89 PRO HA . 34870 1 1057 . 1 . 1 93 93 PRO HB2 H 1 1.861 0.004 . 2 . . . . A 89 PRO HB2 . 34870 1 1058 . 1 . 1 93 93 PRO HB3 H 1 1.924 0.008 . 2 . . . . A 89 PRO HB3 . 34870 1 1059 . 1 . 1 93 93 PRO HG2 H 1 2.024 0.003 . 1 . . . . A 89 PRO HG2 . 34870 1 1060 . 1 . 1 93 93 PRO HG3 H 1 2.023 0.003 . 1 . . . . A 89 PRO HG3 . 34870 1 1061 . 1 . 1 93 93 PRO HD2 H 1 3.642 0.003 . 2 . . . . A 89 PRO HD2 . 34870 1 1062 . 1 . 1 93 93 PRO HD3 H 1 3.790 0.003 . 2 . . . . A 89 PRO HD3 . 34870 1 1063 . 1 . 1 93 93 PRO C C 13 177.067 0.000 . 1 . . . . A 89 PRO C . 34870 1 1064 . 1 . 1 93 93 PRO CA C 13 63.066 0.018 . 1 . . . . A 89 PRO CA . 34870 1 1065 . 1 . 1 93 93 PRO CB C 13 32.096 0.035 . 1 . . . . A 89 PRO CB . 34870 1 1066 . 1 . 1 93 93 PRO CG C 13 27.521 0.058 . 1 . . . . A 89 PRO CG . 34870 1 1067 . 1 . 1 93 93 PRO CD C 13 50.494 0.029 . 1 . . . . A 89 PRO CD . 34870 1 1068 . 1 . 1 94 94 ARG H H 1 8.459 0.004 . 1 . . . . A 90 ARG H . 34870 1 1069 . 1 . 1 94 94 ARG C C 13 176.088 0.000 . 1 . . . . A 90 ARG C . 34870 1 1070 . 1 . 1 94 94 ARG CA C 13 56.216 0.037 . 1 . . . . A 90 ARG CA . 34870 1 1071 . 1 . 1 94 94 ARG CB C 13 30.957 0.014 . 1 . . . . A 90 ARG CB . 34870 1 1072 . 1 . 1 94 94 ARG N N 15 121.661 0.085 . 1 . . . . A 90 ARG N . 34870 1 1073 . 1 . 1 95 95 ASP H H 1 8.376 0.014 . 1 . . . . A 91 ASP H . 34870 1 1074 . 1 . 1 95 95 ASP HA H 1 4.653 0.003 . 1 . . . . A 91 ASP HA . 34870 1 1075 . 1 . 1 95 95 ASP HB2 H 1 2.625 0.005 . 2 . . . . A 91 ASP HB2 . 34870 1 1076 . 1 . 1 95 95 ASP HB3 H 1 2.713 0.002 . 2 . . . . A 91 ASP HB3 . 34870 1 1077 . 1 . 1 95 95 ASP CA C 13 54.302 0.026 . 1 . . . . A 91 ASP CA . 34870 1 1078 . 1 . 1 95 95 ASP CB C 13 41.390 0.038 . 1 . . . . A 91 ASP CB . 34870 1 1079 . 1 . 1 95 95 ASP N N 15 121.587 0.104 . 1 . . . . A 91 ASP N . 34870 1 stop_ save_