data_36339 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36339 _Entry.Title ; Solution NMR structure of fold-U Nomur; de novo designed protein with an asymmetric all-alpha topology ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-25 _Entry.Accession_date 2020-05-07 _Entry.Last_release_date 2020-05-07 _Entry.Original_release_date 2020-05-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 36339 stop_ 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 N. Kobayashi N. . . . 36339 2 T. Nagashima T. . . . 36339 3 K. Sakuma K. . . . 36339 4 T. Kosugi T. . . . 36339 5 R. Koga R. . . . 36339 6 N. Koga N. . . . 36339 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 36339 'de novo designed proteins' . 36339 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36339 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 484 36339 '15N chemical shifts' 119 36339 '1H chemical shifts' 738 36339 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2024-03-12 2020-03-25 update BMRB 'update entry citation' 36339 1 . . 2022-01-28 2020-03-25 original author 'original release' 36339 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 36335 'Solution NMR structure of fold-0 Chantal; de novo designed protein with an asymmetric all-alpha topology' 36339 BMRB 36336 'Solution NMR structure of fold-C Rei; de novo designed protein with an asymmetric all-alpha topology' 36339 BMRB 36337 'Solution NMR structure of fold-Z Gogy; de novo designed protein with an asymmetric all-alpha topology' 36339 BMRB 36338 'Solution NMR structure of fold-K Mussoc; de novo designed protein with an asymmetric all-alpha topology' 36339 PDB 7BQS . 36339 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36339 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38177681 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Design of complicated all-alpha protein structures ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 31 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1545-9985 _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 275 _Citation.Page_last 282 _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 Koya Sakuma K. . . . 36339 1 2 Naohiro Kobayashi N. . . . 36339 1 3 Toshihiko Sugiki T. . . . 36339 1 4 Toshio Nagashima T. . . . 36339 1 5 Toshimichi Fujiwara T. . . . 36339 1 6 Kano Suzuki K. . . . 36339 1 7 Naoya Kobayashi N. . . . 36339 1 8 Takeshi Murata T. . . . 36339 1 9 Takahiro Kosugi T. . . . 36339 1 10 Rie Tatsumi-Koga R. . . . 36339 1 11 Nobuyasu Koga N. . . . 36339 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36339 _Assembly.ID 1 _Assembly.Name Nomur _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 entity_1 1 $entity_1 A A yes . . . . . . 36339 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36339 _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 ; GETKAKAAQEALRAAREQAT TPEAQKALEELEKVLKTASP EQWRQAAEKIFEAFREASNG NTEKAKKLLEEAARTAGASP EIIKKLASALERLAEEGAAK EAARQAEEVRKRGSLEHHHH HH ; _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13466.042 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 1 GLY . 36339 1 2 2 GLU . 36339 1 3 3 THR . 36339 1 4 4 LYS . 36339 1 5 5 ALA . 36339 1 6 6 LYS . 36339 1 7 7 ALA . 36339 1 8 8 ALA . 36339 1 9 9 GLN . 36339 1 10 10 GLU . 36339 1 11 11 ALA . 36339 1 12 12 LEU . 36339 1 13 13 ARG . 36339 1 14 14 ALA . 36339 1 15 15 ALA . 36339 1 16 16 ARG . 36339 1 17 17 GLU . 36339 1 18 18 GLN . 36339 1 19 19 ALA . 36339 1 20 20 THR . 36339 1 21 21 THR . 36339 1 22 22 PRO . 36339 1 23 23 GLU . 36339 1 24 24 ALA . 36339 1 25 25 GLN . 36339 1 26 26 LYS . 36339 1 27 27 ALA . 36339 1 28 28 LEU . 36339 1 29 29 GLU . 36339 1 30 30 GLU . 36339 1 31 31 LEU . 36339 1 32 32 GLU . 36339 1 33 33 LYS . 36339 1 34 34 VAL . 36339 1 35 35 LEU . 36339 1 36 36 LYS . 36339 1 37 37 THR . 36339 1 38 38 ALA . 36339 1 39 39 SER . 36339 1 40 40 PRO . 36339 1 41 41 GLU . 36339 1 42 42 GLN . 36339 1 43 43 TRP . 36339 1 44 44 ARG . 36339 1 45 45 GLN . 36339 1 46 46 ALA . 36339 1 47 47 ALA . 36339 1 48 48 GLU . 36339 1 49 49 LYS . 36339 1 50 50 ILE . 36339 1 51 51 PHE . 36339 1 52 52 GLU . 36339 1 53 53 ALA . 36339 1 54 54 PHE . 36339 1 55 55 ARG . 36339 1 56 56 GLU . 36339 1 57 57 ALA . 36339 1 58 58 SER . 36339 1 59 59 ASN . 36339 1 60 60 GLY . 36339 1 61 61 ASN . 36339 1 62 62 THR . 36339 1 63 63 GLU . 36339 1 64 64 LYS . 36339 1 65 65 ALA . 36339 1 66 66 LYS . 36339 1 67 67 LYS . 36339 1 68 68 LEU . 36339 1 69 69 LEU . 36339 1 70 70 GLU . 36339 1 71 71 GLU . 36339 1 72 72 ALA . 36339 1 73 73 ALA . 36339 1 74 74 ARG . 36339 1 75 75 THR . 36339 1 76 76 ALA . 36339 1 77 77 GLY . 36339 1 78 78 ALA . 36339 1 79 79 SER . 36339 1 80 80 PRO . 36339 1 81 81 GLU . 36339 1 82 82 ILE . 36339 1 83 83 ILE . 36339 1 84 84 LYS . 36339 1 85 85 LYS . 36339 1 86 86 LEU . 36339 1 87 87 ALA . 36339 1 88 88 SER . 36339 1 89 89 ALA . 36339 1 90 90 LEU . 36339 1 91 91 GLU . 36339 1 92 92 ARG . 36339 1 93 93 LEU . 36339 1 94 94 ALA . 36339 1 95 95 GLU . 36339 1 96 96 GLU . 36339 1 97 97 GLY . 36339 1 98 98 ALA . 36339 1 99 99 ALA . 36339 1 100 100 LYS . 36339 1 101 101 GLU . 36339 1 102 102 ALA . 36339 1 103 103 ALA . 36339 1 104 104 ARG . 36339 1 105 105 GLN . 36339 1 106 106 ALA . 36339 1 107 107 GLU . 36339 1 108 108 GLU . 36339 1 109 109 VAL . 36339 1 110 110 ARG . 36339 1 111 111 LYS . 36339 1 112 112 ARG . 36339 1 113 113 GLY . 36339 1 114 114 SER . 36339 1 115 115 LEU . 36339 1 116 116 GLU . 36339 1 117 117 HIS . 36339 1 118 118 HIS . 36339 1 119 119 HIS . 36339 1 120 120 HIS . 36339 1 121 121 HIS . 36339 1 122 122 HIS . 36339 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 36339 1 . GLU 2 2 36339 1 . THR 3 3 36339 1 . LYS 4 4 36339 1 . ALA 5 5 36339 1 . LYS 6 6 36339 1 . ALA 7 7 36339 1 . ALA 8 8 36339 1 . GLN 9 9 36339 1 . GLU 10 10 36339 1 . ALA 11 11 36339 1 . LEU 12 12 36339 1 . ARG 13 13 36339 1 . ALA 14 14 36339 1 . ALA 15 15 36339 1 . ARG 16 16 36339 1 . GLU 17 17 36339 1 . GLN 18 18 36339 1 . ALA 19 19 36339 1 . THR 20 20 36339 1 . THR 21 21 36339 1 . PRO 22 22 36339 1 . GLU 23 23 36339 1 . ALA 24 24 36339 1 . GLN 25 25 36339 1 . LYS 26 26 36339 1 . ALA 27 27 36339 1 . LEU 28 28 36339 1 . GLU 29 29 36339 1 . GLU 30 30 36339 1 . LEU 31 31 36339 1 . GLU 32 32 36339 1 . LYS 33 33 36339 1 . VAL 34 34 36339 1 . LEU 35 35 36339 1 . LYS 36 36 36339 1 . THR 37 37 36339 1 . ALA 38 38 36339 1 . SER 39 39 36339 1 . PRO 40 40 36339 1 . GLU 41 41 36339 1 . GLN 42 42 36339 1 . TRP 43 43 36339 1 . ARG 44 44 36339 1 . GLN 45 45 36339 1 . ALA 46 46 36339 1 . ALA 47 47 36339 1 . GLU 48 48 36339 1 . LYS 49 49 36339 1 . ILE 50 50 36339 1 . PHE 51 51 36339 1 . GLU 52 52 36339 1 . ALA 53 53 36339 1 . PHE 54 54 36339 1 . ARG 55 55 36339 1 . GLU 56 56 36339 1 . ALA 57 57 36339 1 . SER 58 58 36339 1 . ASN 59 59 36339 1 . GLY 60 60 36339 1 . ASN 61 61 36339 1 . THR 62 62 36339 1 . GLU 63 63 36339 1 . LYS 64 64 36339 1 . ALA 65 65 36339 1 . LYS 66 66 36339 1 . LYS 67 67 36339 1 . LEU 68 68 36339 1 . LEU 69 69 36339 1 . GLU 70 70 36339 1 . GLU 71 71 36339 1 . ALA 72 72 36339 1 . ALA 73 73 36339 1 . ARG 74 74 36339 1 . THR 75 75 36339 1 . ALA 76 76 36339 1 . GLY 77 77 36339 1 . ALA 78 78 36339 1 . SER 79 79 36339 1 . PRO 80 80 36339 1 . GLU 81 81 36339 1 . ILE 82 82 36339 1 . ILE 83 83 36339 1 . LYS 84 84 36339 1 . LYS 85 85 36339 1 . LEU 86 86 36339 1 . ALA 87 87 36339 1 . SER 88 88 36339 1 . ALA 89 89 36339 1 . LEU 90 90 36339 1 . GLU 91 91 36339 1 . ARG 92 92 36339 1 . LEU 93 93 36339 1 . ALA 94 94 36339 1 . GLU 95 95 36339 1 . GLU 96 96 36339 1 . GLY 97 97 36339 1 . ALA 98 98 36339 1 . ALA 99 99 36339 1 . LYS 100 100 36339 1 . GLU 101 101 36339 1 . ALA 102 102 36339 1 . ALA 103 103 36339 1 . ARG 104 104 36339 1 . GLN 105 105 36339 1 . ALA 106 106 36339 1 . GLU 107 107 36339 1 . GLU 108 108 36339 1 . VAL 109 109 36339 1 . ARG 110 110 36339 1 . LYS 111 111 36339 1 . ARG 112 112 36339 1 . GLY 113 113 36339 1 . SER 114 114 36339 1 . LEU 115 115 36339 1 . GLU 116 116 36339 1 . HIS 117 117 36339 1 . HIS 118 118 36339 1 . HIS 119 119 36339 1 . HIS 120 120 36339 1 . HIS 121 121 36339 1 . HIS 122 122 36339 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 36339 _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 . 32630 . . 'synthetic construct' . . . . . synthetic construct . . . . . . . . . . . . . 36339 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 36339 _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' . . 562 Escherichia coli . . . . . . . . . . 36339 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36339 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.8 mM [U-100% 13C; U-100% 15N] foldU5, 1.06 mM potassium phosphate, 2.97 mM sodium phosphate, 155.2 mM sodium chloride, 10 uM EDTA, 0.02 % sodium azide, 0.16 % w/w protease inhibitor complete cocktail, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 foldU5 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.8 . . mM . . . . 36339 1 2 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 36339 1 3 'potassium phosphate' 'natural abundance' . . . . . . 1.06 . . mM . . . . 36339 1 4 'protease inhibitor complete cocktail' 'natural abundance' . . . . . . 0.16 . . '% w/w' . . . . 36339 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 36339 1 6 'sodium chloride' 'natural abundance' . . . . . salt 155.2 . . mM . . . . 36339 1 7 'sodium phosphate' 'natural abundance' . . . . . buffer 2.97 . . mM . . . . 36339 1 8 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36339 1 9 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36339 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36339 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.4 mM [U-100% 13C; U-100% 15N] foldU5, 1.06 mM potassium phosphate, 2.97 mM sodium phosphate, 155.2 mM sodium chloride, 10 mM EDTA, 0.02 % sodium azide, 0.16 % w/w protease inhibitor complete cocktail, 10 mg/mL Pf1 phage, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 foldU5 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.4 . . mM . . . . 36339 2 2 'Pf1 phage' 'natural abundance' . . . . . . 10 . . mg/mL . . . . 36339 2 3 EDTA 'natural abundance' . . . . . . 10 . . mM . . . . 36339 2 4 'potassium phosphate' 'natural abundance' . . . . . . 1.06 . . mM . . . . 36339 2 5 'protease inhibitor complete cocktail' 'natural abundance' . . . . . . 0.16 . . '% w/w' . . . . 36339 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 36339 2 7 'sodium chloride' 'natural abundance' . . . . . salt 155.2 . . mM . . . . 36339 2 8 'sodium phosphate' 'natural abundance' . . . . . buffer 2.97 . . mM . . . . 36339 2 9 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36339 2 10 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36339 2 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 36339 _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' 160 . mM 36339 1 pH 7.4 . pH 36339 1 pressure 1 . atm 36339 1 temperature 303 . K 36339 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36339 _Software.ID 1 _Software.Type . _Software.Name Amber _Software.Version 12 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 36339 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36339 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36339 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.98 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36339 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36339 2 'structure calculation' . 36339 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36339 _Software.ID 3 _Software.Type . _Software.Name MAGRO _Software.Version 2.01.32 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 36339 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36339 3 'peak picking' . 36339 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36339 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version 2017 _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' . . 36339 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36339 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36339 _Software.ID 5 _Software.Type . _Software.Name NMRView _Software.Version 9.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 36339 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36339 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36339 _Software.ID 6 _Software.Type . _Software.Name TALOS _Software.Version 2017 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 36339 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36339 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 36339 _Software.ID 7 _Software.Type . _Software.Name TopSpin _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36339 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 36339 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 36339 _Software.ID 8 _Software.Type . _Software.Name qMDD _Software.Version 2.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Orekhov, V. Jaravine, M. Mayzel, K. Kazimierczuk' . . 36339 8 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36339 8 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 36339 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 36339 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 36339 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 36339 _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' . 600 . . . 36339 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 700 . . . 36339 1 3 NMR_spectrometer_3 Bruker 'AVANCE III' . 900 . . . 36339 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 36339 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36339 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36339 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36339 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36339 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36339 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36339 1 7 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36339 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36339 1 9 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36339 1 10 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36339 1 11 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36339 1 12 '3D (H)N(CA)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36339 1 13 '3D H(NCA)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36339 1 14 '3D HCCH-TOCSY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36339 1 15 '3D HCCH-TOCSY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36339 1 16 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36339 1 17 '3D HNHAHB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36339 1 18 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36339 1 19 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36339 1 20 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36339 1 21 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36339 1 22 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36339 1 23 '3D J-HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36339 1 24 '3D J-HNCO' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36339 1 25 '3D J-HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36339 1 26 '3D J-HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36339 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 36339 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 303K) and then those of 15N and 13C were calculated based on their gyro-magnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 36339 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36339 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36339 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 36339 _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' 1 $sample_1 isotropic 36339 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 36339 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 36339 1 4 '3D HNCO' 1 $sample_1 isotropic 36339 1 5 '3D HN(CA)CO' 1 $sample_1 isotropic 36339 1 6 '3D HNCA' 1 $sample_1 isotropic 36339 1 7 '3D HN(CO)CA' 1 $sample_1 isotropic 36339 1 8 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36339 1 9 '3D HNCACB' 1 $sample_1 isotropic 36339 1 10 '3D C(CO)NH' 1 $sample_1 isotropic 36339 1 11 '3D H(CCO)NH' 1 $sample_1 isotropic 36339 1 12 '3D (H)N(CA)NH' 1 $sample_1 isotropic 36339 1 13 '3D H(NCA)NH' 1 $sample_1 isotropic 36339 1 14 '3D HCCH-TOCSY aliphatic' 1 $sample_1 isotropic 36339 1 15 '3D HCCH-TOCSY aromatic' 1 $sample_1 isotropic 36339 1 16 '3D HBHA(CO)NH' 1 $sample_1 isotropic 36339 1 17 '3D HNHAHB' 1 $sample_1 isotropic 36339 1 18 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36339 1 19 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36339 1 20 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36339 1 21 '2D 1H-15N HSQC IPAP' 1 $sample_1 isotropic 36339 1 22 '2D 1H-15N HSQC IPAP' 2 $sample_2 anisotropic 36339 1 23 '3D J-HNCO' 1 $sample_1 isotropic 36339 1 24 '3D J-HNCO' 2 $sample_2 anisotropic 36339 1 25 '3D J-HN(CO)CA' 1 $sample_1 isotropic 36339 1 26 '3D J-HN(CO)CA' 2 $sample_2 anisotropic 36339 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 1 1 GLY CA C 13 45.536 0.300 . 1 . . . . A 1 GLY CA . 36339 1 2 . 1 . 1 2 2 GLU HB2 H 1 2.091 0.030 . 1 . . . . A 2 GLU HB2 . 36339 1 3 . 1 . 1 2 2 GLU HB3 H 1 2.091 0.030 . 1 . . . . A 2 GLU HB3 . 36339 1 4 . 1 . 1 2 2 GLU C C 13 178.031 0.300 . 1 . . . . A 2 GLU C . 36339 1 5 . 1 . 1 2 2 GLU CA C 13 58.233 0.300 . 1 . . . . A 2 GLU CA . 36339 1 6 . 1 . 1 3 3 THR HA H 1 4.319 0.030 . 1 . . . . A 3 THR HA . 36339 1 7 . 1 . 1 3 3 THR HB H 1 4.272 0.030 . 1 . . . . A 3 THR HB . 36339 1 8 . 1 . 1 3 3 THR HG21 H 1 1.234 0.030 . 1 . . . . A 3 THR HG21 . 36339 1 9 . 1 . 1 3 3 THR HG22 H 1 1.234 0.030 . 1 . . . . A 3 THR HG22 . 36339 1 10 . 1 . 1 3 3 THR HG23 H 1 1.234 0.030 . 1 . . . . A 3 THR HG23 . 36339 1 11 . 1 . 1 3 3 THR CA C 13 62.250 0.300 . 1 . . . . A 3 THR CA . 36339 1 12 . 1 . 1 3 3 THR CB C 13 69.796 0.300 . 1 . . . . A 3 THR CB . 36339 1 13 . 1 . 1 3 3 THR CG2 C 13 21.787 0.300 . 1 . . . . A 3 THR CG2 . 36339 1 14 . 1 . 1 4 4 LYS H H 1 8.001 0.030 . 1 . . . . A 4 LYS H . 36339 1 15 . 1 . 1 4 4 LYS HA H 1 4.137 0.030 . 1 . . . . A 4 LYS HA . 36339 1 16 . 1 . 1 4 4 LYS HB2 H 1 1.806 0.030 . 1 . . . . A 4 LYS HB2 . 36339 1 17 . 1 . 1 4 4 LYS HB3 H 1 1.806 0.030 . 1 . . . . A 4 LYS HB3 . 36339 1 18 . 1 . 1 4 4 LYS HG2 H 1 1.463 0.030 . 1 . . . . A 4 LYS HG2 . 36339 1 19 . 1 . 1 4 4 LYS HG3 H 1 1.463 0.030 . 1 . . . . A 4 LYS HG3 . 36339 1 20 . 1 . 1 4 4 LYS C C 13 177.653 0.300 . 1 . . . . A 4 LYS C . 36339 1 21 . 1 . 1 4 4 LYS CA C 13 58.015 0.300 . 1 . . . . A 4 LYS CA . 36339 1 22 . 1 . 1 4 4 LYS CB C 13 32.462 0.300 . 1 . . . . A 4 LYS CB . 36339 1 23 . 1 . 1 4 4 LYS CG C 13 24.742 0.300 . 1 . . . . A 4 LYS CG . 36339 1 24 . 1 . 1 4 4 LYS CD C 13 29.473 0.300 . 1 . . . . A 4 LYS CD . 36339 1 25 . 1 . 1 4 4 LYS CE C 13 43.798 0.300 . 1 . . . . A 4 LYS CE . 36339 1 26 . 1 . 1 4 4 LYS N N 15 119.250 0.300 . 1 . . . . A 4 LYS N . 36339 1 27 . 1 . 1 5 5 ALA H H 1 8.129 0.030 . 1 . . . . A 5 ALA H . 36339 1 28 . 1 . 1 5 5 ALA HA H 1 4.184 0.030 . 1 . . . . A 5 ALA HA . 36339 1 29 . 1 . 1 5 5 ALA HB1 H 1 1.425 0.030 . 1 . . . . A 5 ALA HB1 . 36339 1 30 . 1 . 1 5 5 ALA HB2 H 1 1.425 0.030 . 1 . . . . A 5 ALA HB2 . 36339 1 31 . 1 . 1 5 5 ALA HB3 H 1 1.425 0.030 . 1 . . . . A 5 ALA HB3 . 36339 1 32 . 1 . 1 5 5 ALA C C 13 180.158 0.300 . 1 . . . . A 5 ALA C . 36339 1 33 . 1 . 1 5 5 ALA CA C 13 54.031 0.300 . 1 . . . . A 5 ALA CA . 36339 1 34 . 1 . 1 5 5 ALA CB C 13 18.253 0.300 . 1 . . . . A 5 ALA CB . 36339 1 35 . 1 . 1 5 5 ALA N N 15 122.951 0.300 . 1 . . . . A 5 ALA N . 36339 1 36 . 1 . 1 6 6 LYS HA H 1 4.143 0.030 . 1 . . . . A 6 LYS HA . 36339 1 37 . 1 . 1 6 6 LYS HB2 H 1 1.961 0.030 . 1 . . . . A 6 LYS HB2 . 36339 1 38 . 1 . 1 6 6 LYS HB3 H 1 1.961 0.030 . 1 . . . . A 6 LYS HB3 . 36339 1 39 . 1 . 1 6 6 LYS HG2 H 1 1.484 0.030 . 1 . . . . A 6 LYS HG2 . 36339 1 40 . 1 . 1 6 6 LYS HG3 H 1 1.484 0.030 . 1 . . . . A 6 LYS HG3 . 36339 1 41 . 1 . 1 6 6 LYS C C 13 177.697 0.300 . 1 . . . . A 6 LYS C . 36339 1 42 . 1 . 1 6 6 LYS CB C 13 32.408 0.300 . 1 . . . . A 6 LYS CB . 36339 1 43 . 1 . 1 6 6 LYS CG C 13 25.317 0.300 . 1 . . . . A 6 LYS CG . 36339 1 44 . 1 . 1 6 6 LYS CD C 13 29.358 0.300 . 1 . . . . A 6 LYS CD . 36339 1 45 . 1 . 1 6 6 LYS CE C 13 42.151 0.300 . 1 . . . . A 6 LYS CE . 36339 1 46 . 1 . 1 6 6 LYS N N 15 122.025 0.300 . 1 . . . . A 6 LYS N . 36339 1 47 . 1 . 1 7 7 ALA H H 1 8.031 0.030 . 1 . . . . A 7 ALA H . 36339 1 48 . 1 . 1 7 7 ALA HA H 1 4.181 0.030 . 1 . . . . A 7 ALA HA . 36339 1 49 . 1 . 1 7 7 ALA C C 13 180.057 0.300 . 1 . . . . A 7 ALA C . 36339 1 50 . 1 . 1 7 7 ALA CA C 13 54.567 0.300 . 1 . . . . A 7 ALA CA . 36339 1 51 . 1 . 1 7 7 ALA CB C 13 18.317 0.300 . 1 . . . . A 7 ALA CB . 36339 1 52 . 1 . 1 7 7 ALA N N 15 122.026 0.300 . 1 . . . . A 7 ALA N . 36339 1 53 . 1 . 1 8 8 ALA H H 1 7.971 0.030 . 1 . . . . A 8 ALA H . 36339 1 54 . 1 . 1 8 8 ALA HA H 1 4.019 0.030 . 1 . . . . A 8 ALA HA . 36339 1 55 . 1 . 1 8 8 ALA HB1 H 1 1.297 0.030 . 1 . . . . A 8 ALA HB1 . 36339 1 56 . 1 . 1 8 8 ALA HB2 H 1 1.297 0.030 . 1 . . . . A 8 ALA HB2 . 36339 1 57 . 1 . 1 8 8 ALA HB3 H 1 1.297 0.030 . 1 . . . . A 8 ALA HB3 . 36339 1 58 . 1 . 1 8 8 ALA C C 13 178.722 0.300 . 1 . . . . A 8 ALA C . 36339 1 59 . 1 . 1 8 8 ALA CA C 13 54.913 0.300 . 1 . . . . A 8 ALA CA . 36339 1 60 . 1 . 1 8 8 ALA CB C 13 18.539 0.300 . 1 . . . . A 8 ALA CB . 36339 1 61 . 1 . 1 8 8 ALA N N 15 120.501 0.300 . 1 . . . . A 8 ALA N . 36339 1 62 . 1 . 1 9 9 GLN H H 1 8.109 0.030 . 1 . . . . A 9 GLN H . 36339 1 63 . 1 . 1 9 9 GLN HA H 1 4.019 0.030 . 1 . . . . A 9 GLN HA . 36339 1 64 . 1 . 1 9 9 GLN HB2 H 1 2.122 0.030 . 1 . . . . A 9 GLN HB2 . 36339 1 65 . 1 . 1 9 9 GLN HB3 H 1 2.122 0.030 . 1 . . . . A 9 GLN HB3 . 36339 1 66 . 1 . 1 9 9 GLN HG2 H 1 2.411 0.030 . 1 . . . . A 9 GLN HG2 . 36339 1 67 . 1 . 1 9 9 GLN HG3 H 1 2.411 0.030 . 1 . . . . A 9 GLN HG3 . 36339 1 68 . 1 . 1 9 9 GLN HE21 H 1 6.798 0.030 . 2 . . . . A 9 GLN HE21 . 36339 1 69 . 1 . 1 9 9 GLN HE22 H 1 7.645 0.030 . 2 . . . . A 9 GLN HE22 . 36339 1 70 . 1 . 1 9 9 GLN C C 13 178.615 0.300 . 1 . . . . A 9 GLN C . 36339 1 71 . 1 . 1 9 9 GLN CA C 13 58.473 0.300 . 1 . . . . A 9 GLN CA . 36339 1 72 . 1 . 1 9 9 GLN CB C 13 28.500 0.300 . 1 . . . . A 9 GLN CB . 36339 1 73 . 1 . 1 9 9 GLN CG C 13 34.027 0.300 . 1 . . . . A 9 GLN CG . 36339 1 74 . 1 . 1 9 9 GLN N N 15 116.929 0.300 . 1 . . . . A 9 GLN N . 36339 1 75 . 1 . 1 9 9 GLN NE2 N 15 111.884 0.300 . 1 . . . . A 9 GLN NE2 . 36339 1 76 . 1 . 1 10 10 GLU H H 1 8.170 0.030 . 1 . . . . A 10 GLU H . 36339 1 77 . 1 . 1 10 10 GLU HA H 1 4.100 0.030 . 1 . . . . A 10 GLU HA . 36339 1 78 . 1 . 1 10 10 GLU HB2 H 1 2.039 0.030 . 1 . . . . A 10 GLU HB2 . 36339 1 79 . 1 . 1 10 10 GLU HB3 H 1 2.039 0.030 . 1 . . . . A 10 GLU HB3 . 36339 1 80 . 1 . 1 10 10 GLU HG2 H 1 2.308 0.030 . 1 . . . . A 10 GLU HG2 . 36339 1 81 . 1 . 1 10 10 GLU HG3 H 1 2.308 0.030 . 1 . . . . A 10 GLU HG3 . 36339 1 82 . 1 . 1 10 10 GLU C C 13 178.388 0.300 . 1 . . . . A 10 GLU C . 36339 1 83 . 1 . 1 10 10 GLU CA C 13 58.590 0.300 . 1 . . . . A 10 GLU CA . 36339 1 84 . 1 . 1 10 10 GLU CB C 13 29.336 0.300 . 1 . . . . A 10 GLU CB . 36339 1 85 . 1 . 1 10 10 GLU CG C 13 36.373 0.300 . 1 . . . . A 10 GLU CG . 36339 1 86 . 1 . 1 10 10 GLU N N 15 120.385 0.300 . 1 . . . . A 10 GLU N . 36339 1 87 . 1 . 1 11 11 ALA H H 1 8.006 0.030 . 1 . . . . A 11 ALA H . 36339 1 88 . 1 . 1 11 11 ALA HA H 1 4.070 0.030 . 1 . . . . A 11 ALA HA . 36339 1 89 . 1 . 1 11 11 ALA HB1 H 1 1.476 0.030 . 1 . . . . A 11 ALA HB1 . 36339 1 90 . 1 . 1 11 11 ALA HB2 H 1 1.476 0.030 . 1 . . . . A 11 ALA HB2 . 36339 1 91 . 1 . 1 11 11 ALA HB3 H 1 1.476 0.030 . 1 . . . . A 11 ALA HB3 . 36339 1 92 . 1 . 1 11 11 ALA C C 13 179.564 0.300 . 1 . . . . A 11 ALA C . 36339 1 93 . 1 . 1 11 11 ALA CA C 13 54.710 0.300 . 1 . . . . A 11 ALA CA . 36339 1 94 . 1 . 1 11 11 ALA CB C 13 18.150 0.300 . 1 . . . . A 11 ALA CB . 36339 1 95 . 1 . 1 11 11 ALA N N 15 123.321 0.300 . 1 . . . . A 11 ALA N . 36339 1 96 . 1 . 1 12 12 LEU H H 1 7.965 0.030 . 1 . . . . A 12 LEU H . 36339 1 97 . 1 . 1 12 12 LEU HA H 1 4.058 0.030 . 1 . . . . A 12 LEU HA . 36339 1 98 . 1 . 1 12 12 LEU HB2 H 1 1.682 0.030 . 1 . . . . A 12 LEU HB2 . 36339 1 99 . 1 . 1 12 12 LEU HB3 H 1 1.682 0.030 . 1 . . . . A 12 LEU HB3 . 36339 1 100 . 1 . 1 12 12 LEU HD11 H 1 0.821 0.030 . 2 . . . . A 12 LEU HD11 . 36339 1 101 . 1 . 1 12 12 LEU HD12 H 1 0.821 0.030 . 2 . . . . A 12 LEU HD12 . 36339 1 102 . 1 . 1 12 12 LEU HD13 H 1 0.821 0.030 . 2 . . . . A 12 LEU HD13 . 36339 1 103 . 1 . 1 12 12 LEU HD21 H 1 0.856 0.030 . 2 . . . . A 12 LEU HD21 . 36339 1 104 . 1 . 1 12 12 LEU HD22 H 1 0.856 0.030 . 2 . . . . A 12 LEU HD22 . 36339 1 105 . 1 . 1 12 12 LEU HD23 H 1 0.856 0.030 . 2 . . . . A 12 LEU HD23 . 36339 1 106 . 1 . 1 12 12 LEU C C 13 178.291 0.300 . 1 . . . . A 12 LEU C . 36339 1 107 . 1 . 1 12 12 LEU CA C 13 57.088 0.300 . 1 . . . . A 12 LEU CA . 36339 1 108 . 1 . 1 12 12 LEU CB C 13 41.616 0.300 . 1 . . . . A 12 LEU CB . 36339 1 109 . 1 . 1 12 12 LEU CG C 13 25.193 0.300 . 1 . . . . A 12 LEU CG . 36339 1 110 . 1 . 1 12 12 LEU CD1 C 13 24.170 0.300 . 2 . . . . A 12 LEU CD1 . 36339 1 111 . 1 . 1 12 12 LEU CD2 C 13 25.523 0.300 . 2 . . . . A 12 LEU CD2 . 36339 1 112 . 1 . 1 12 12 LEU N N 15 118.532 0.300 . 1 . . . . A 12 LEU N . 36339 1 113 . 1 . 1 13 13 ARG H H 1 7.917 0.030 . 1 . . . . A 13 ARG H . 36339 1 114 . 1 . 1 13 13 ARG HA H 1 3.928 0.030 . 1 . . . . A 13 ARG HA . 36339 1 115 . 1 . 1 13 13 ARG HB2 H 1 1.906 0.030 . 1 . . . . A 13 ARG HB2 . 36339 1 116 . 1 . 1 13 13 ARG HB3 H 1 1.906 0.030 . 1 . . . . A 13 ARG HB3 . 36339 1 117 . 1 . 1 13 13 ARG HG2 H 1 1.554 0.030 . 2 . . . . A 13 ARG HG2 . 36339 1 118 . 1 . 1 13 13 ARG HG3 H 1 1.696 0.030 . 2 . . . . A 13 ARG HG3 . 36339 1 119 . 1 . 1 13 13 ARG C C 13 178.216 0.300 . 1 . . . . A 13 ARG C . 36339 1 120 . 1 . 1 13 13 ARG CA C 13 59.683 0.300 . 1 . . . . A 13 ARG CA . 36339 1 121 . 1 . 1 13 13 ARG CB C 13 29.762 0.300 . 1 . . . . A 13 ARG CB . 36339 1 122 . 1 . 1 13 13 ARG CG C 13 26.954 0.300 . 1 . . . . A 13 ARG CG . 36339 1 123 . 1 . 1 13 13 ARG CD C 13 43.413 0.300 . 1 . . . . A 13 ARG CD . 36339 1 124 . 1 . 1 13 13 ARG N N 15 120.413 0.300 . 1 . . . . A 13 ARG N . 36339 1 125 . 1 . 1 14 14 ALA H H 1 8.026 0.030 . 1 . . . . A 14 ALA H . 36339 1 126 . 1 . 1 14 14 ALA HA H 1 4.073 0.030 . 1 . . . . A 14 ALA HA . 36339 1 127 . 1 . 1 14 14 ALA HB1 H 1 1.310 0.030 . 1 . . . . A 14 ALA HB1 . 36339 1 128 . 1 . 1 14 14 ALA HB2 H 1 1.310 0.030 . 1 . . . . A 14 ALA HB2 . 36339 1 129 . 1 . 1 14 14 ALA HB3 H 1 1.310 0.030 . 1 . . . . A 14 ALA HB3 . 36339 1 130 . 1 . 1 14 14 ALA C C 13 180.083 0.300 . 1 . . . . A 14 ALA C . 36339 1 131 . 1 . 1 14 14 ALA CA C 13 54.692 0.300 . 1 . . . . A 14 ALA CA . 36339 1 132 . 1 . 1 14 14 ALA CB C 13 18.045 0.300 . 1 . . . . A 14 ALA CB . 36339 1 133 . 1 . 1 14 14 ALA N N 15 121.391 0.300 . 1 . . . . A 14 ALA N . 36339 1 134 . 1 . 1 15 15 ALA H H 1 7.978 0.030 . 1 . . . . A 15 ALA H . 36339 1 135 . 1 . 1 15 15 ALA HA H 1 3.989 0.030 . 1 . . . . A 15 ALA HA . 36339 1 136 . 1 . 1 15 15 ALA HB1 H 1 1.335 0.030 . 1 . . . . A 15 ALA HB1 . 36339 1 137 . 1 . 1 15 15 ALA HB2 H 1 1.335 0.030 . 1 . . . . A 15 ALA HB2 . 36339 1 138 . 1 . 1 15 15 ALA HB3 H 1 1.335 0.030 . 1 . . . . A 15 ALA HB3 . 36339 1 139 . 1 . 1 15 15 ALA C C 13 178.908 0.300 . 1 . . . . A 15 ALA C . 36339 1 140 . 1 . 1 15 15 ALA CA C 13 54.912 0.300 . 1 . . . . A 15 ALA CA . 36339 1 141 . 1 . 1 15 15 ALA CB C 13 17.994 0.300 . 1 . . . . A 15 ALA CB . 36339 1 142 . 1 . 1 15 15 ALA N N 15 120.605 0.300 . 1 . . . . A 15 ALA N . 36339 1 143 . 1 . 1 16 16 ARG H H 1 8.182 0.030 . 1 . . . . A 16 ARG H . 36339 1 144 . 1 . 1 16 16 ARG HA H 1 3.818 0.030 . 1 . . . . A 16 ARG HA . 36339 1 145 . 1 . 1 16 16 ARG HB2 H 1 1.900 0.030 . 1 . . . . A 16 ARG HB2 . 36339 1 146 . 1 . 1 16 16 ARG HB3 H 1 1.900 0.030 . 1 . . . . A 16 ARG HB3 . 36339 1 147 . 1 . 1 16 16 ARG HG2 H 1 1.682 0.030 . 1 . . . . A 16 ARG HG2 . 36339 1 148 . 1 . 1 16 16 ARG HG3 H 1 1.682 0.030 . 1 . . . . A 16 ARG HG3 . 36339 1 149 . 1 . 1 16 16 ARG HD2 H 1 3.138 0.030 . 1 . . . . A 16 ARG HD2 . 36339 1 150 . 1 . 1 16 16 ARG HD3 H 1 3.138 0.030 . 1 . . . . A 16 ARG HD3 . 36339 1 151 . 1 . 1 16 16 ARG C C 13 178.819 0.300 . 1 . . . . A 16 ARG C . 36339 1 152 . 1 . 1 16 16 ARG CA C 13 59.213 0.300 . 1 . . . . A 16 ARG CA . 36339 1 153 . 1 . 1 16 16 ARG CB C 13 29.816 0.300 . 1 . . . . A 16 ARG CB . 36339 1 154 . 1 . 1 16 16 ARG CG C 13 27.786 0.300 . 1 . . . . A 16 ARG CG . 36339 1 155 . 1 . 1 16 16 ARG CD C 13 43.457 0.300 . 1 . . . . A 16 ARG CD . 36339 1 156 . 1 . 1 16 16 ARG N N 15 117.552 0.300 . 1 . . . . A 16 ARG N . 36339 1 157 . 1 . 1 17 17 GLU H H 1 7.923 0.030 . 1 . . . . A 17 GLU H . 36339 1 158 . 1 . 1 17 17 GLU HA H 1 4.021 0.030 . 1 . . . . A 17 GLU HA . 36339 1 159 . 1 . 1 17 17 GLU HB2 H 1 2.075 0.030 . 1 . . . . A 17 GLU HB2 . 36339 1 160 . 1 . 1 17 17 GLU HB3 H 1 2.075 0.030 . 1 . . . . A 17 GLU HB3 . 36339 1 161 . 1 . 1 17 17 GLU HG2 H 1 2.442 0.030 . 1 . . . . A 17 GLU HG2 . 36339 1 162 . 1 . 1 17 17 GLU HG3 H 1 2.442 0.030 . 1 . . . . A 17 GLU HG3 . 36339 1 163 . 1 . 1 17 17 GLU C C 13 177.735 0.300 . 1 . . . . A 17 GLU C . 36339 1 164 . 1 . 1 17 17 GLU CA C 13 58.487 0.300 . 1 . . . . A 17 GLU CA . 36339 1 165 . 1 . 1 17 17 GLU CB C 13 29.642 0.300 . 1 . . . . A 17 GLU CB . 36339 1 166 . 1 . 1 17 17 GLU CG C 13 36.648 0.300 . 1 . . . . A 17 GLU CG . 36339 1 167 . 1 . 1 17 17 GLU N N 15 118.000 0.300 . 1 . . . . A 17 GLU N . 36339 1 168 . 1 . 1 18 18 GLN H H 1 7.504 0.030 . 1 . . . . A 18 GLN H . 36339 1 169 . 1 . 1 18 18 GLN HA H 1 4.267 0.030 . 1 . . . . A 18 GLN HA . 36339 1 170 . 1 . 1 18 18 GLN HB2 H 1 2.010 0.030 . 2 . . . . A 18 GLN HB2 . 36339 1 171 . 1 . 1 18 18 GLN HB3 H 1 2.265 0.030 . 2 . . . . A 18 GLN HB3 . 36339 1 172 . 1 . 1 18 18 GLN HG2 H 1 2.417 0.030 . 1 . . . . A 18 GLN HG2 . 36339 1 173 . 1 . 1 18 18 GLN HG3 H 1 2.417 0.030 . 1 . . . . A 18 GLN HG3 . 36339 1 174 . 1 . 1 18 18 GLN HE21 H 1 6.674 0.030 . 2 . . . . A 18 GLN HE21 . 36339 1 175 . 1 . 1 18 18 GLN HE22 H 1 7.424 0.030 . 2 . . . . A 18 GLN HE22 . 36339 1 176 . 1 . 1 18 18 GLN C C 13 175.611 0.300 . 1 . . . . A 18 GLN C . 36339 1 177 . 1 . 1 18 18 GLN CA C 13 55.605 0.300 . 1 . . . . A 18 GLN CA . 36339 1 178 . 1 . 1 18 18 GLN CB C 13 29.658 0.300 . 1 . . . . A 18 GLN CB . 36339 1 179 . 1 . 1 18 18 GLN CG C 13 34.093 0.300 . 1 . . . . A 18 GLN CG . 36339 1 180 . 1 . 1 18 18 GLN N N 15 115.619 0.300 . 1 . . . . A 18 GLN N . 36339 1 181 . 1 . 1 18 18 GLN NE2 N 15 111.206 0.300 . 1 . . . . A 18 GLN NE2 . 36339 1 182 . 1 . 1 19 19 ALA H H 1 7.513 0.030 . 1 . . . . A 19 ALA H . 36339 1 183 . 1 . 1 19 19 ALA HA H 1 4.398 0.030 . 1 . . . . A 19 ALA HA . 36339 1 184 . 1 . 1 19 19 ALA HB1 H 1 1.335 0.030 . 1 . . . . A 19 ALA HB1 . 36339 1 185 . 1 . 1 19 19 ALA HB2 H 1 1.335 0.030 . 1 . . . . A 19 ALA HB2 . 36339 1 186 . 1 . 1 19 19 ALA HB3 H 1 1.335 0.030 . 1 . . . . A 19 ALA HB3 . 36339 1 187 . 1 . 1 19 19 ALA C C 13 177.134 0.300 . 1 . . . . A 19 ALA C . 36339 1 188 . 1 . 1 19 19 ALA CA C 13 51.780 0.300 . 1 . . . . A 19 ALA CA . 36339 1 189 . 1 . 1 19 19 ALA CB C 13 17.941 0.300 . 1 . . . . A 19 ALA CB . 36339 1 190 . 1 . 1 19 19 ALA N N 15 124.078 0.300 . 1 . . . . A 19 ALA N . 36339 1 191 . 1 . 1 20 20 THR H H 1 8.143 0.030 . 1 . . . . A 20 THR H . 36339 1 192 . 1 . 1 20 20 THR HA H 1 4.310 0.030 . 1 . . . . A 20 THR HA . 36339 1 193 . 1 . 1 20 20 THR HB H 1 4.417 0.030 . 1 . . . . A 20 THR HB . 36339 1 194 . 1 . 1 20 20 THR HG21 H 1 1.209 0.030 . 1 . . . . A 20 THR HG21 . 36339 1 195 . 1 . 1 20 20 THR HG22 H 1 1.209 0.030 . 1 . . . . A 20 THR HG22 . 36339 1 196 . 1 . 1 20 20 THR HG23 H 1 1.209 0.030 . 1 . . . . A 20 THR HG23 . 36339 1 197 . 1 . 1 20 20 THR C C 13 174.958 0.300 . 1 . . . . A 20 THR C . 36339 1 198 . 1 . 1 20 20 THR CA C 13 62.980 0.300 . 1 . . . . A 20 THR CA . 36339 1 199 . 1 . 1 20 20 THR CB C 13 69.372 0.300 . 1 . . . . A 20 THR CB . 36339 1 200 . 1 . 1 20 20 THR CG2 C 13 21.951 0.300 . 1 . . . . A 20 THR CG2 . 36339 1 201 . 1 . 1 20 20 THR N N 15 111.977 0.300 . 1 . . . . A 20 THR N . 36339 1 202 . 1 . 1 21 21 THR H H 1 7.500 0.030 . 1 . . . . A 21 THR H . 36339 1 203 . 1 . 1 21 21 THR HA H 1 4.895 0.030 . 1 . . . . A 21 THR HA . 36339 1 204 . 1 . 1 21 21 THR HB H 1 4.617 0.030 . 1 . . . . A 21 THR HB . 36339 1 205 . 1 . 1 21 21 THR HG1 H 1 4.313 0.030 . 1 . . . . A 21 THR HG1 . 36339 1 206 . 1 . 1 21 21 THR HG21 H 1 1.290 0.030 . 1 . . . . A 21 THR HG21 . 36339 1 207 . 1 . 1 21 21 THR HG22 H 1 1.290 0.030 . 1 . . . . A 21 THR HG22 . 36339 1 208 . 1 . 1 21 21 THR HG23 H 1 1.290 0.030 . 1 . . . . A 21 THR HG23 . 36339 1 209 . 1 . 1 21 21 THR C C 13 173.376 0.300 . 1 . . . . A 21 THR C . 36339 1 210 . 1 . 1 21 21 THR CA C 13 58.429 0.300 . 1 . . . . A 21 THR CA . 36339 1 211 . 1 . 1 21 21 THR CB C 13 69.499 0.300 . 1 . . . . A 21 THR CB . 36339 1 212 . 1 . 1 21 21 THR CG2 C 13 22.363 0.300 . 1 . . . . A 21 THR CG2 . 36339 1 213 . 1 . 1 21 21 THR N N 15 111.795 0.300 . 1 . . . . A 21 THR N . 36339 1 214 . 1 . 1 22 22 PRO HA H 1 4.310 0.030 . 1 . . . . A 22 PRO HA . 36339 1 215 . 1 . 1 22 22 PRO HB2 H 1 1.947 0.030 . 2 . . . . A 22 PRO HB2 . 36339 1 216 . 1 . 1 22 22 PRO HB3 H 1 2.389 0.030 . 2 . . . . A 22 PRO HB3 . 36339 1 217 . 1 . 1 22 22 PRO HG2 H 1 2.057 0.030 . 1 . . . . A 22 PRO HG2 . 36339 1 218 . 1 . 1 22 22 PRO HG3 H 1 2.057 0.030 . 1 . . . . A 22 PRO HG3 . 36339 1 219 . 1 . 1 22 22 PRO HD2 H 1 3.926 0.030 . 1 . . . . A 22 PRO HD2 . 36339 1 220 . 1 . 1 22 22 PRO HD3 H 1 3.926 0.030 . 1 . . . . A 22 PRO HD3 . 36339 1 221 . 1 . 1 22 22 PRO C C 13 179.420 0.300 . 1 . . . . A 22 PRO C . 36339 1 222 . 1 . 1 22 22 PRO CA C 13 65.158 0.300 . 1 . . . . A 22 PRO CA . 36339 1 223 . 1 . 1 22 22 PRO CB C 13 31.930 0.300 . 1 . . . . A 22 PRO CB . 36339 1 224 . 1 . 1 22 22 PRO CG C 13 27.893 0.300 . 1 . . . . A 22 PRO CG . 36339 1 225 . 1 . 1 22 22 PRO CD C 13 50.774 0.300 . 1 . . . . A 22 PRO CD . 36339 1 226 . 1 . 1 23 23 GLU H H 1 8.936 0.030 . 1 . . . . A 23 GLU H . 36339 1 227 . 1 . 1 23 23 GLU HA H 1 4.018 0.030 . 1 . . . . A 23 GLU HA . 36339 1 228 . 1 . 1 23 23 GLU HB2 H 1 1.917 0.030 . 2 . . . . A 23 GLU HB2 . 36339 1 229 . 1 . 1 23 23 GLU HB3 H 1 2.053 0.030 . 2 . . . . A 23 GLU HB3 . 36339 1 230 . 1 . 1 23 23 GLU HG2 H 1 2.432 0.030 . 1 . . . . A 23 GLU HG2 . 36339 1 231 . 1 . 1 23 23 GLU HG3 H 1 2.432 0.030 . 1 . . . . A 23 GLU HG3 . 36339 1 232 . 1 . 1 23 23 GLU C C 13 179.210 0.300 . 1 . . . . A 23 GLU C . 36339 1 233 . 1 . 1 23 23 GLU CA C 13 60.242 0.300 . 1 . . . . A 23 GLU CA . 36339 1 234 . 1 . 1 23 23 GLU CB C 13 28.738 0.300 . 1 . . . . A 23 GLU CB . 36339 1 235 . 1 . 1 23 23 GLU CG C 13 36.943 0.300 . 1 . . . . A 23 GLU CG . 36339 1 236 . 1 . 1 23 23 GLU N N 15 116.890 0.300 . 1 . . . . A 23 GLU N . 36339 1 237 . 1 . 1 24 24 ALA H H 1 7.850 0.030 . 1 . . . . A 24 ALA H . 36339 1 238 . 1 . 1 24 24 ALA HA H 1 3.989 0.030 . 1 . . . . A 24 ALA HA . 36339 1 239 . 1 . 1 24 24 ALA HB1 H 1 1.432 0.030 . 1 . . . . A 24 ALA HB1 . 36339 1 240 . 1 . 1 24 24 ALA HB2 H 1 1.432 0.030 . 1 . . . . A 24 ALA HB2 . 36339 1 241 . 1 . 1 24 24 ALA HB3 H 1 1.432 0.030 . 1 . . . . A 24 ALA HB3 . 36339 1 242 . 1 . 1 24 24 ALA C C 13 178.961 0.300 . 1 . . . . A 24 ALA C . 36339 1 243 . 1 . 1 24 24 ALA CA C 13 55.050 0.300 . 1 . . . . A 24 ALA CA . 36339 1 244 . 1 . 1 24 24 ALA CB C 13 18.751 0.300 . 1 . . . . A 24 ALA CB . 36339 1 245 . 1 . 1 24 24 ALA N N 15 122.560 0.300 . 1 . . . . A 24 ALA N . 36339 1 246 . 1 . 1 25 25 GLN H H 1 8.050 0.030 . 1 . . . . A 25 GLN H . 36339 1 247 . 1 . 1 25 25 GLN HA H 1 3.819 0.030 . 1 . . . . A 25 GLN HA . 36339 1 248 . 1 . 1 25 25 GLN HB2 H 1 2.096 0.030 . 2 . . . . A 25 GLN HB2 . 36339 1 249 . 1 . 1 25 25 GLN HB3 H 1 2.200 0.030 . 2 . . . . A 25 GLN HB3 . 36339 1 250 . 1 . 1 25 25 GLN HG2 H 1 2.403 0.030 . 2 . . . . A 25 GLN HG2 . 36339 1 251 . 1 . 1 25 25 GLN HG3 H 1 2.486 0.030 . 2 . . . . A 25 GLN HG3 . 36339 1 252 . 1 . 1 25 25 GLN HE21 H 1 6.716 0.030 . 2 . . . . A 25 GLN HE21 . 36339 1 253 . 1 . 1 25 25 GLN HE22 H 1 7.381 0.030 . 2 . . . . A 25 GLN HE22 . 36339 1 254 . 1 . 1 25 25 GLN C C 13 178.833 0.300 . 1 . . . . A 25 GLN C . 36339 1 255 . 1 . 1 25 25 GLN CA C 13 59.632 0.300 . 1 . . . . A 25 GLN CA . 36339 1 256 . 1 . 1 25 25 GLN CB C 13 28.014 0.300 . 1 . . . . A 25 GLN CB . 36339 1 257 . 1 . 1 25 25 GLN CG C 13 34.073 0.300 . 1 . . . . A 25 GLN CG . 36339 1 258 . 1 . 1 25 25 GLN N N 15 116.921 0.300 . 1 . . . . A 25 GLN N . 36339 1 259 . 1 . 1 25 25 GLN NE2 N 15 110.767 0.300 . 1 . . . . A 25 GLN NE2 . 36339 1 260 . 1 . 1 26 26 LYS H H 1 8.223 0.030 . 1 . . . . A 26 LYS H . 36339 1 261 . 1 . 1 26 26 LYS HA H 1 4.115 0.030 . 1 . . . . A 26 LYS HA . 36339 1 262 . 1 . 1 26 26 LYS HB2 H 1 1.894 0.030 . 1 . . . . A 26 LYS HB2 . 36339 1 263 . 1 . 1 26 26 LYS HB3 H 1 1.894 0.030 . 1 . . . . A 26 LYS HB3 . 36339 1 264 . 1 . 1 26 26 LYS HG2 H 1 1.523 0.030 . 1 . . . . A 26 LYS HG2 . 36339 1 265 . 1 . 1 26 26 LYS HG3 H 1 1.523 0.030 . 1 . . . . A 26 LYS HG3 . 36339 1 266 . 1 . 1 26 26 LYS HD2 H 1 1.527 0.030 . 1 . . . . A 26 LYS HD2 . 36339 1 267 . 1 . 1 26 26 LYS HD3 H 1 1.527 0.030 . 1 . . . . A 26 LYS HD3 . 36339 1 268 . 1 . 1 26 26 LYS C C 13 178.835 0.300 . 1 . . . . A 26 LYS C . 36339 1 269 . 1 . 1 26 26 LYS CA C 13 58.773 0.300 . 1 . . . . A 26 LYS CA . 36339 1 270 . 1 . 1 26 26 LYS CB C 13 32.237 0.300 . 1 . . . . A 26 LYS CB . 36339 1 271 . 1 . 1 26 26 LYS CG C 13 24.970 0.300 . 1 . . . . A 26 LYS CG . 36339 1 272 . 1 . 1 26 26 LYS CD C 13 28.823 0.300 . 1 . . . . A 26 LYS CD . 36339 1 273 . 1 . 1 26 26 LYS CE C 13 43.446 0.300 . 1 . . . . A 26 LYS CE . 36339 1 274 . 1 . 1 26 26 LYS N N 15 119.059 0.300 . 1 . . . . A 26 LYS N . 36339 1 275 . 1 . 1 27 27 ALA H H 1 7.837 0.030 . 1 . . . . A 27 ALA H . 36339 1 276 . 1 . 1 27 27 ALA HA H 1 4.112 0.030 . 1 . . . . A 27 ALA HA . 36339 1 277 . 1 . 1 27 27 ALA HB1 H 1 1.456 0.030 . 1 . . . . A 27 ALA HB1 . 36339 1 278 . 1 . 1 27 27 ALA HB2 H 1 1.456 0.030 . 1 . . . . A 27 ALA HB2 . 36339 1 279 . 1 . 1 27 27 ALA HB3 H 1 1.456 0.030 . 1 . . . . A 27 ALA HB3 . 36339 1 280 . 1 . 1 27 27 ALA C C 13 179.690 0.300 . 1 . . . . A 27 ALA C . 36339 1 281 . 1 . 1 27 27 ALA CA C 13 55.011 0.300 . 1 . . . . A 27 ALA CA . 36339 1 282 . 1 . 1 27 27 ALA CB C 13 18.175 0.300 . 1 . . . . A 27 ALA CB . 36339 1 283 . 1 . 1 27 27 ALA N N 15 121.176 0.300 . 1 . . . . A 27 ALA N . 36339 1 284 . 1 . 1 28 28 LEU H H 1 8.067 0.030 . 1 . . . . A 28 LEU H . 36339 1 285 . 1 . 1 28 28 LEU HA H 1 4.065 0.030 . 1 . . . . A 28 LEU HA . 36339 1 286 . 1 . 1 28 28 LEU HB2 H 1 1.798 0.030 . 1 . . . . A 28 LEU HB2 . 36339 1 287 . 1 . 1 28 28 LEU HB3 H 1 1.798 0.030 . 1 . . . . A 28 LEU HB3 . 36339 1 288 . 1 . 1 28 28 LEU HD11 H 1 0.792 0.030 . 2 . . . . A 28 LEU HD11 . 36339 1 289 . 1 . 1 28 28 LEU HD12 H 1 0.792 0.030 . 2 . . . . A 28 LEU HD12 . 36339 1 290 . 1 . 1 28 28 LEU HD13 H 1 0.792 0.030 . 2 . . . . A 28 LEU HD13 . 36339 1 291 . 1 . 1 28 28 LEU HD21 H 1 0.822 0.030 . 2 . . . . A 28 LEU HD21 . 36339 1 292 . 1 . 1 28 28 LEU HD22 H 1 0.822 0.030 . 2 . . . . A 28 LEU HD22 . 36339 1 293 . 1 . 1 28 28 LEU HD23 H 1 0.822 0.030 . 2 . . . . A 28 LEU HD23 . 36339 1 294 . 1 . 1 28 28 LEU C C 13 178.496 0.300 . 1 . . . . A 28 LEU C . 36339 1 295 . 1 . 1 28 28 LEU CA C 13 58.044 0.300 . 1 . . . . A 28 LEU CA . 36339 1 296 . 1 . 1 28 28 LEU CB C 13 41.699 0.300 . 1 . . . . A 28 LEU CB . 36339 1 297 . 1 . 1 28 28 LEU CG C 13 27.274 0.300 . 1 . . . . A 28 LEU CG . 36339 1 298 . 1 . 1 28 28 LEU CD1 C 13 24.414 0.300 . 2 . . . . A 28 LEU CD1 . 36339 1 299 . 1 . 1 28 28 LEU CD2 C 13 25.081 0.300 . 2 . . . . A 28 LEU CD2 . 36339 1 300 . 1 . 1 28 28 LEU N N 15 118.027 0.300 . 1 . . . . A 28 LEU N . 36339 1 301 . 1 . 1 29 29 GLU H H 1 8.094 0.030 . 1 . . . . A 29 GLU H . 36339 1 302 . 1 . 1 29 29 GLU HA H 1 4.157 0.030 . 1 . . . . A 29 GLU HA . 36339 1 303 . 1 . 1 29 29 GLU HB2 H 1 2.117 0.030 . 1 . . . . A 29 GLU HB2 . 36339 1 304 . 1 . 1 29 29 GLU HB3 H 1 2.117 0.030 . 1 . . . . A 29 GLU HB3 . 36339 1 305 . 1 . 1 29 29 GLU HG2 H 1 2.445 0.030 . 1 . . . . A 29 GLU HG2 . 36339 1 306 . 1 . 1 29 29 GLU HG3 H 1 2.445 0.030 . 1 . . . . A 29 GLU HG3 . 36339 1 307 . 1 . 1 29 29 GLU C C 13 177.926 0.300 . 1 . . . . A 29 GLU C . 36339 1 308 . 1 . 1 29 29 GLU CA C 13 58.231 0.300 . 1 . . . . A 29 GLU CA . 36339 1 309 . 1 . 1 29 29 GLU CB C 13 29.598 0.300 . 1 . . . . A 29 GLU CB . 36339 1 310 . 1 . 1 29 29 GLU CG C 13 36.582 0.300 . 1 . . . . A 29 GLU CG . 36339 1 311 . 1 . 1 29 29 GLU N N 15 120.220 0.300 . 1 . . . . A 29 GLU N . 36339 1 312 . 1 . 1 30 30 GLU H H 1 8.039 0.030 . 1 . . . . A 30 GLU H . 36339 1 313 . 1 . 1 30 30 GLU HA H 1 4.157 0.030 . 1 . . . . A 30 GLU HA . 36339 1 314 . 1 . 1 30 30 GLU HB2 H 1 2.113 0.030 . 1 . . . . A 30 GLU HB2 . 36339 1 315 . 1 . 1 30 30 GLU HB3 H 1 2.113 0.030 . 1 . . . . A 30 GLU HB3 . 36339 1 316 . 1 . 1 30 30 GLU HG2 H 1 2.318 0.030 . 1 . . . . A 30 GLU HG2 . 36339 1 317 . 1 . 1 30 30 GLU HG3 H 1 2.318 0.030 . 1 . . . . A 30 GLU HG3 . 36339 1 318 . 1 . 1 30 30 GLU C C 13 179.264 0.300 . 1 . . . . A 30 GLU C . 36339 1 319 . 1 . 1 30 30 GLU CA C 13 58.160 0.300 . 1 . . . . A 30 GLU CA . 36339 1 320 . 1 . 1 30 30 GLU CB C 13 29.606 0.300 . 1 . . . . A 30 GLU CB . 36339 1 321 . 1 . 1 30 30 GLU CG C 13 36.264 0.300 . 1 . . . . A 30 GLU CG . 36339 1 322 . 1 . 1 30 30 GLU N N 15 120.217 0.300 . 1 . . . . A 30 GLU N . 36339 1 323 . 1 . 1 31 31 LEU H H 1 8.049 0.030 . 1 . . . . A 31 LEU H . 36339 1 324 . 1 . 1 31 31 LEU HA H 1 4.021 0.030 . 1 . . . . A 31 LEU HA . 36339 1 325 . 1 . 1 31 31 LEU HB2 H 1 1.603 0.030 . 2 . . . . A 31 LEU HB2 . 36339 1 326 . 1 . 1 31 31 LEU HB3 H 1 1.893 0.030 . 2 . . . . A 31 LEU HB3 . 36339 1 327 . 1 . 1 31 31 LEU HD11 H 1 0.723 0.030 . 2 . . . . A 31 LEU HD11 . 36339 1 328 . 1 . 1 31 31 LEU HD12 H 1 0.723 0.030 . 2 . . . . A 31 LEU HD12 . 36339 1 329 . 1 . 1 31 31 LEU HD13 H 1 0.723 0.030 . 2 . . . . A 31 LEU HD13 . 36339 1 330 . 1 . 1 31 31 LEU HD21 H 1 0.734 0.030 . 2 . . . . A 31 LEU HD21 . 36339 1 331 . 1 . 1 31 31 LEU HD22 H 1 0.734 0.030 . 2 . . . . A 31 LEU HD22 . 36339 1 332 . 1 . 1 31 31 LEU HD23 H 1 0.734 0.030 . 2 . . . . A 31 LEU HD23 . 36339 1 333 . 1 . 1 31 31 LEU C C 13 178.248 0.300 . 1 . . . . A 31 LEU C . 36339 1 334 . 1 . 1 31 31 LEU CA C 13 57.758 0.300 . 1 . . . . A 31 LEU CA . 36339 1 335 . 1 . 1 31 31 LEU CB C 13 41.779 0.300 . 1 . . . . A 31 LEU CB . 36339 1 336 . 1 . 1 31 31 LEU CG C 13 26.954 0.300 . 1 . . . . A 31 LEU CG . 36339 1 337 . 1 . 1 31 31 LEU CD1 C 13 23.890 0.300 . 2 . . . . A 31 LEU CD1 . 36339 1 338 . 1 . 1 31 31 LEU CD2 C 13 25.667 0.300 . 2 . . . . A 31 LEU CD2 . 36339 1 339 . 1 . 1 31 31 LEU N N 15 120.113 0.300 . 1 . . . . A 31 LEU N . 36339 1 340 . 1 . 1 32 32 GLU H H 1 8.529 0.030 . 1 . . . . A 32 GLU H . 36339 1 341 . 1 . 1 32 32 GLU HA H 1 3.651 0.030 . 1 . . . . A 32 GLU HA . 36339 1 342 . 1 . 1 32 32 GLU HB2 H 1 2.109 0.030 . 1 . . . . A 32 GLU HB2 . 36339 1 343 . 1 . 1 32 32 GLU HB3 H 1 2.109 0.030 . 1 . . . . A 32 GLU HB3 . 36339 1 344 . 1 . 1 32 32 GLU HG2 H 1 2.099 0.030 . 2 . . . . A 32 GLU HG2 . 36339 1 345 . 1 . 1 32 32 GLU HG3 H 1 2.313 0.030 . 2 . . . . A 32 GLU HG3 . 36339 1 346 . 1 . 1 32 32 GLU C C 13 178.250 0.300 . 1 . . . . A 32 GLU C . 36339 1 347 . 1 . 1 32 32 GLU CA C 13 60.412 0.300 . 1 . . . . A 32 GLU CA . 36339 1 348 . 1 . 1 32 32 GLU CB C 13 29.623 0.300 . 1 . . . . A 32 GLU CB . 36339 1 349 . 1 . 1 32 32 GLU CG C 13 37.175 0.300 . 1 . . . . A 32 GLU CG . 36339 1 350 . 1 . 1 32 32 GLU N N 15 119.311 0.300 . 1 . . . . A 32 GLU N . 36339 1 351 . 1 . 1 33 33 LYS H H 1 7.562 0.030 . 1 . . . . A 33 LYS H . 36339 1 352 . 1 . 1 33 33 LYS HA H 1 3.928 0.030 . 1 . . . . A 33 LYS HA . 36339 1 353 . 1 . 1 33 33 LYS HB2 H 1 1.959 0.030 . 1 . . . . A 33 LYS HB2 . 36339 1 354 . 1 . 1 33 33 LYS HB3 H 1 1.959 0.030 . 1 . . . . A 33 LYS HB3 . 36339 1 355 . 1 . 1 33 33 LYS HG2 H 1 1.412 0.030 . 2 . . . . A 33 LYS HG2 . 36339 1 356 . 1 . 1 33 33 LYS HG3 H 1 1.653 0.030 . 2 . . . . A 33 LYS HG3 . 36339 1 357 . 1 . 1 33 33 LYS C C 13 179.237 0.300 . 1 . . . . A 33 LYS C . 36339 1 358 . 1 . 1 33 33 LYS CA C 13 59.739 0.300 . 1 . . . . A 33 LYS CA . 36339 1 359 . 1 . 1 33 33 LYS CB C 13 32.277 0.300 . 1 . . . . A 33 LYS CB . 36339 1 360 . 1 . 1 33 33 LYS CG C 13 25.481 0.300 . 1 . . . . A 33 LYS CG . 36339 1 361 . 1 . 1 33 33 LYS CD C 13 29.380 0.300 . 1 . . . . A 33 LYS CD . 36339 1 362 . 1 . 1 33 33 LYS CE C 13 42.175 0.300 . 1 . . . . A 33 LYS CE . 36339 1 363 . 1 . 1 33 33 LYS N N 15 116.771 0.300 . 1 . . . . A 33 LYS N . 36339 1 364 . 1 . 1 34 34 VAL H H 1 7.566 0.030 . 1 . . . . A 34 VAL H . 36339 1 365 . 1 . 1 34 34 VAL HA H 1 3.913 0.030 . 1 . . . . A 34 VAL HA . 36339 1 366 . 1 . 1 34 34 VAL HB H 1 2.214 0.030 . 1 . . . . A 34 VAL HB . 36339 1 367 . 1 . 1 34 34 VAL HG11 H 1 0.880 0.030 . 2 . . . . A 34 VAL HG11 . 36339 1 368 . 1 . 1 34 34 VAL HG12 H 1 0.880 0.030 . 2 . . . . A 34 VAL HG12 . 36339 1 369 . 1 . 1 34 34 VAL HG13 H 1 0.880 0.030 . 2 . . . . A 34 VAL HG13 . 36339 1 370 . 1 . 1 34 34 VAL HG21 H 1 1.071 0.030 . 2 . . . . A 34 VAL HG21 . 36339 1 371 . 1 . 1 34 34 VAL HG22 H 1 1.071 0.030 . 2 . . . . A 34 VAL HG22 . 36339 1 372 . 1 . 1 34 34 VAL HG23 H 1 1.071 0.030 . 2 . . . . A 34 VAL HG23 . 36339 1 373 . 1 . 1 34 34 VAL C C 13 178.157 0.300 . 1 . . . . A 34 VAL C . 36339 1 374 . 1 . 1 34 34 VAL CA C 13 64.821 0.300 . 1 . . . . A 34 VAL CA . 36339 1 375 . 1 . 1 34 34 VAL CB C 13 32.031 0.300 . 1 . . . . A 34 VAL CB . 36339 1 376 . 1 . 1 34 34 VAL CG1 C 13 21.628 0.300 . 2 . . . . A 34 VAL CG1 . 36339 1 377 . 1 . 1 34 34 VAL CG2 C 13 22.190 0.300 . 2 . . . . A 34 VAL CG2 . 36339 1 378 . 1 . 1 34 34 VAL N N 15 117.168 0.300 . 1 . . . . A 34 VAL N . 36339 1 379 . 1 . 1 35 35 LEU H H 1 8.004 0.030 . 1 . . . . A 35 LEU H . 36339 1 380 . 1 . 1 35 35 LEU HA H 1 3.967 0.030 . 1 . . . . A 35 LEU HA . 36339 1 381 . 1 . 1 35 35 LEU HB2 H 1 1.258 0.030 . 2 . . . . A 35 LEU HB2 . 36339 1 382 . 1 . 1 35 35 LEU HB3 H 1 1.575 0.030 . 2 . . . . A 35 LEU HB3 . 36339 1 383 . 1 . 1 35 35 LEU HG H 1 1.585 0.030 . 1 . . . . A 35 LEU HG . 36339 1 384 . 1 . 1 35 35 LEU HD11 H 1 0.535 0.030 . 2 . . . . A 35 LEU HD11 . 36339 1 385 . 1 . 1 35 35 LEU HD12 H 1 0.535 0.030 . 2 . . . . A 35 LEU HD12 . 36339 1 386 . 1 . 1 35 35 LEU HD13 H 1 0.535 0.030 . 2 . . . . A 35 LEU HD13 . 36339 1 387 . 1 . 1 35 35 LEU HD21 H 1 0.472 0.030 . 2 . . . . A 35 LEU HD21 . 36339 1 388 . 1 . 1 35 35 LEU HD22 H 1 0.472 0.030 . 2 . . . . A 35 LEU HD22 . 36339 1 389 . 1 . 1 35 35 LEU HD23 H 1 0.472 0.030 . 2 . . . . A 35 LEU HD23 . 36339 1 390 . 1 . 1 35 35 LEU C C 13 177.666 0.300 . 1 . . . . A 35 LEU C . 36339 1 391 . 1 . 1 35 35 LEU CA C 13 56.811 0.300 . 1 . . . . A 35 LEU CA . 36339 1 392 . 1 . 1 35 35 LEU CB C 13 41.364 0.300 . 1 . . . . A 35 LEU CB . 36339 1 393 . 1 . 1 35 35 LEU CG C 13 26.626 0.300 . 1 . . . . A 35 LEU CG . 36339 1 394 . 1 . 1 35 35 LEU CD1 C 13 25.199 0.300 . 2 . . . . A 35 LEU CD1 . 36339 1 395 . 1 . 1 35 35 LEU CD2 C 13 22.770 0.300 . 2 . . . . A 35 LEU CD2 . 36339 1 396 . 1 . 1 35 35 LEU N N 15 119.868 0.300 . 1 . . . . A 35 LEU N . 36339 1 397 . 1 . 1 36 36 LYS H H 1 7.669 0.030 . 1 . . . . A 36 LYS H . 36339 1 398 . 1 . 1 36 36 LYS HA H 1 3.941 0.030 . 1 . . . . A 36 LYS HA . 36339 1 399 . 1 . 1 36 36 LYS HB2 H 1 1.781 0.030 . 1 . . . . A 36 LYS HB2 . 36339 1 400 . 1 . 1 36 36 LYS HB3 H 1 1.781 0.030 . 1 . . . . A 36 LYS HB3 . 36339 1 401 . 1 . 1 36 36 LYS HG2 H 1 1.383 0.030 . 1 . . . . A 36 LYS HG2 . 36339 1 402 . 1 . 1 36 36 LYS HG3 H 1 1.383 0.030 . 1 . . . . A 36 LYS HG3 . 36339 1 403 . 1 . 1 36 36 LYS HD2 H 1 1.609 0.030 . 1 . . . . A 36 LYS HD2 . 36339 1 404 . 1 . 1 36 36 LYS HD3 H 1 1.609 0.030 . 1 . . . . A 36 LYS HD3 . 36339 1 405 . 1 . 1 36 36 LYS C C 13 177.599 0.300 . 1 . . . . A 36 LYS C . 36339 1 406 . 1 . 1 36 36 LYS CA C 13 58.869 0.300 . 1 . . . . A 36 LYS CA . 36339 1 407 . 1 . 1 36 36 LYS CB C 13 32.625 0.300 . 1 . . . . A 36 LYS CB . 36339 1 408 . 1 . 1 36 36 LYS CG C 13 25.096 0.300 . 1 . . . . A 36 LYS CG . 36339 1 409 . 1 . 1 36 36 LYS CD C 13 29.451 0.300 . 1 . . . . A 36 LYS CD . 36339 1 410 . 1 . 1 36 36 LYS CE C 13 42.032 0.300 . 1 . . . . A 36 LYS CE . 36339 1 411 . 1 . 1 36 36 LYS N N 15 116.945 0.300 . 1 . . . . A 36 LYS N . 36339 1 412 . 1 . 1 37 37 THR H H 1 7.475 0.030 . 1 . . . . A 37 THR H . 36339 1 413 . 1 . 1 37 37 THR HA H 1 4.390 0.030 . 1 . . . . A 37 THR HA . 36339 1 414 . 1 . 1 37 37 THR HB H 1 4.469 0.030 . 1 . . . . A 37 THR HB . 36339 1 415 . 1 . 1 37 37 THR HG21 H 1 1.245 0.030 . 1 . . . . A 37 THR HG21 . 36339 1 416 . 1 . 1 37 37 THR HG22 H 1 1.245 0.030 . 1 . . . . A 37 THR HG22 . 36339 1 417 . 1 . 1 37 37 THR HG23 H 1 1.245 0.030 . 1 . . . . A 37 THR HG23 . 36339 1 418 . 1 . 1 37 37 THR C C 13 174.415 0.300 . 1 . . . . A 37 THR C . 36339 1 419 . 1 . 1 37 37 THR CA C 13 61.811 0.300 . 1 . . . . A 37 THR CA . 36339 1 420 . 1 . 1 37 37 THR CB C 13 69.445 0.300 . 1 . . . . A 37 THR CB . 36339 1 421 . 1 . 1 37 37 THR CG2 C 13 21.762 0.300 . 1 . . . . A 37 THR CG2 . 36339 1 422 . 1 . 1 37 37 THR N N 15 107.851 0.300 . 1 . . . . A 37 THR N . 36339 1 423 . 1 . 1 38 38 ALA H H 1 7.601 0.030 . 1 . . . . A 38 ALA H . 36339 1 424 . 1 . 1 38 38 ALA HA H 1 4.501 0.030 . 1 . . . . A 38 ALA HA . 36339 1 425 . 1 . 1 38 38 ALA HB1 H 1 1.495 0.030 . 1 . . . . A 38 ALA HB1 . 36339 1 426 . 1 . 1 38 38 ALA HB2 H 1 1.495 0.030 . 1 . . . . A 38 ALA HB2 . 36339 1 427 . 1 . 1 38 38 ALA HB3 H 1 1.495 0.030 . 1 . . . . A 38 ALA HB3 . 36339 1 428 . 1 . 1 38 38 ALA C C 13 177.183 0.300 . 1 . . . . A 38 ALA C . 36339 1 429 . 1 . 1 38 38 ALA CA C 13 51.998 0.300 . 1 . . . . A 38 ALA CA . 36339 1 430 . 1 . 1 38 38 ALA CB C 13 19.611 0.300 . 1 . . . . A 38 ALA CB . 36339 1 431 . 1 . 1 38 38 ALA N N 15 125.399 0.300 . 1 . . . . A 38 ALA N . 36339 1 432 . 1 . 1 39 39 SER H H 1 8.571 0.030 . 1 . . . . A 39 SER H . 36339 1 433 . 1 . 1 39 39 SER HA H 1 4.824 0.030 . 1 . . . . A 39 SER HA . 36339 1 434 . 1 . 1 39 39 SER HB2 H 1 4.065 0.030 . 1 . . . . A 39 SER HB2 . 36339 1 435 . 1 . 1 39 39 SER HB3 H 1 4.065 0.030 . 1 . . . . A 39 SER HB3 . 36339 1 436 . 1 . 1 39 39 SER C C 13 177.183 0.300 . 1 . . . . A 39 SER C . 36339 1 437 . 1 . 1 39 39 SER CA C 13 56.826 0.300 . 1 . . . . A 39 SER CA . 36339 1 438 . 1 . 1 39 39 SER CB C 13 62.961 0.300 . 1 . . . . A 39 SER CB . 36339 1 439 . 1 . 1 39 39 SER N N 15 117.020 0.300 . 1 . . . . A 39 SER N . 36339 1 440 . 1 . 1 40 40 PRO HA H 1 4.249 0.030 . 1 . . . . A 40 PRO HA . 36339 1 441 . 1 . 1 40 40 PRO HB2 H 1 1.967 0.030 . 2 . . . . A 40 PRO HB2 . 36339 1 442 . 1 . 1 40 40 PRO HB3 H 1 2.343 0.030 . 2 . . . . A 40 PRO HB3 . 36339 1 443 . 1 . 1 40 40 PRO HG2 H 1 2.232 0.030 . 1 . . . . A 40 PRO HG2 . 36339 1 444 . 1 . 1 40 40 PRO HG3 H 1 2.232 0.030 . 1 . . . . A 40 PRO HG3 . 36339 1 445 . 1 . 1 40 40 PRO HD2 H 1 3.956 0.030 . 1 . . . . A 40 PRO HD2 . 36339 1 446 . 1 . 1 40 40 PRO HD3 H 1 3.956 0.030 . 1 . . . . A 40 PRO HD3 . 36339 1 447 . 1 . 1 40 40 PRO C C 13 178.875 0.300 . 1 . . . . A 40 PRO C . 36339 1 448 . 1 . 1 40 40 PRO CA C 13 66.208 0.300 . 1 . . . . A 40 PRO CA . 36339 1 449 . 1 . 1 40 40 PRO CB C 13 32.120 0.300 . 1 . . . . A 40 PRO CB . 36339 1 450 . 1 . 1 40 40 PRO CG C 13 27.921 0.300 . 1 . . . . A 40 PRO CG . 36339 1 451 . 1 . 1 40 40 PRO CD C 13 50.461 0.300 . 1 . . . . A 40 PRO CD . 36339 1 452 . 1 . 1 41 41 GLU H H 1 8.649 0.030 . 1 . . . . A 41 GLU H . 36339 1 453 . 1 . 1 41 41 GLU HA H 1 4.189 0.030 . 1 . . . . A 41 GLU HA . 36339 1 454 . 1 . 1 41 41 GLU HB2 H 1 1.962 0.030 . 2 . . . . A 41 GLU HB2 . 36339 1 455 . 1 . 1 41 41 GLU HB3 H 1 2.068 0.030 . 2 . . . . A 41 GLU HB3 . 36339 1 456 . 1 . 1 41 41 GLU HG2 H 1 1.974 0.030 . 1 . . . . A 41 GLU HG2 . 36339 1 457 . 1 . 1 41 41 GLU HG3 H 1 1.974 0.030 . 1 . . . . A 41 GLU HG3 . 36339 1 458 . 1 . 1 41 41 GLU C C 13 178.750 0.300 . 1 . . . . A 41 GLU C . 36339 1 459 . 1 . 1 41 41 GLU CA C 13 59.367 0.300 . 1 . . . . A 41 GLU CA . 36339 1 460 . 1 . 1 41 41 GLU CB C 13 29.280 0.300 . 1 . . . . A 41 GLU CB . 36339 1 461 . 1 . 1 41 41 GLU N N 15 116.969 0.300 . 1 . . . . A 41 GLU N . 36339 1 462 . 1 . 1 42 42 GLN H H 1 7.742 0.030 . 1 . . . . A 42 GLN H . 36339 1 463 . 1 . 1 42 42 GLN HA H 1 4.095 0.030 . 1 . . . . A 42 GLN HA . 36339 1 464 . 1 . 1 42 42 GLN HB2 H 1 2.028 0.030 . 2 . . . . A 42 GLN HB2 . 36339 1 465 . 1 . 1 42 42 GLN HB3 H 1 2.430 0.030 . 2 . . . . A 42 GLN HB3 . 36339 1 466 . 1 . 1 42 42 GLN HG2 H 1 2.451 0.030 . 1 . . . . A 42 GLN HG2 . 36339 1 467 . 1 . 1 42 42 GLN HG3 H 1 2.451 0.030 . 1 . . . . A 42 GLN HG3 . 36339 1 468 . 1 . 1 42 42 GLN HE21 H 1 6.899 0.030 . 2 . . . . A 42 GLN HE21 . 36339 1 469 . 1 . 1 42 42 GLN HE22 H 1 7.516 0.030 . 2 . . . . A 42 GLN HE22 . 36339 1 470 . 1 . 1 42 42 GLN C C 13 178.030 0.300 . 1 . . . . A 42 GLN C . 36339 1 471 . 1 . 1 42 42 GLN CA C 13 58.673 0.300 . 1 . . . . A 42 GLN CA . 36339 1 472 . 1 . 1 42 42 GLN CB C 13 29.572 0.300 . 1 . . . . A 42 GLN CB . 36339 1 473 . 1 . 1 42 42 GLN CG C 13 35.026 0.300 . 1 . . . . A 42 GLN CG . 36339 1 474 . 1 . 1 42 42 GLN N N 15 119.203 0.300 . 1 . . . . A 42 GLN N . 36339 1 475 . 1 . 1 42 42 GLN NE2 N 15 111.479 0.300 . 1 . . . . A 42 GLN NE2 . 36339 1 476 . 1 . 1 43 43 TRP H H 1 8.462 0.030 . 1 . . . . A 43 TRP H . 36339 1 477 . 1 . 1 43 43 TRP HA H 1 4.342 0.030 . 1 . . . . A 43 TRP HA . 36339 1 478 . 1 . 1 43 43 TRP HB2 H 1 3.297 0.030 . 1 . . . . A 43 TRP HB2 . 36339 1 479 . 1 . 1 43 43 TRP HB3 H 1 3.297 0.030 . 1 . . . . A 43 TRP HB3 . 36339 1 480 . 1 . 1 43 43 TRP HD1 H 1 7.174 0.030 . 1 . . . . A 43 TRP HD1 . 36339 1 481 . 1 . 1 43 43 TRP HE1 H 1 10.031 0.030 . 1 . . . . A 43 TRP HE1 . 36339 1 482 . 1 . 1 43 43 TRP HE3 H 1 7.400 0.030 . 1 . . . . A 43 TRP HE3 . 36339 1 483 . 1 . 1 43 43 TRP HZ2 H 1 7.377 0.030 . 1 . . . . A 43 TRP HZ2 . 36339 1 484 . 1 . 1 43 43 TRP HZ3 H 1 6.874 0.030 . 1 . . . . A 43 TRP HZ3 . 36339 1 485 . 1 . 1 43 43 TRP HH2 H 1 7.030 0.030 . 1 . . . . A 43 TRP HH2 . 36339 1 486 . 1 . 1 43 43 TRP C C 13 177.252 0.300 . 1 . . . . A 43 TRP C . 36339 1 487 . 1 . 1 43 43 TRP CA C 13 60.148 0.300 . 1 . . . . A 43 TRP CA . 36339 1 488 . 1 . 1 43 43 TRP CB C 13 29.707 0.300 . 1 . . . . A 43 TRP CB . 36339 1 489 . 1 . 1 43 43 TRP CD1 C 13 127.146 0.300 . 1 . . . . A 43 TRP CD1 . 36339 1 490 . 1 . 1 43 43 TRP CE3 C 13 120.909 0.300 . 1 . . . . A 43 TRP CE3 . 36339 1 491 . 1 . 1 43 43 TRP CZ2 C 13 114.555 0.300 . 1 . . . . A 43 TRP CZ2 . 36339 1 492 . 1 . 1 43 43 TRP CZ3 C 13 121.247 0.300 . 1 . . . . A 43 TRP CZ3 . 36339 1 493 . 1 . 1 43 43 TRP CH2 C 13 123.849 0.300 . 1 . . . . A 43 TRP CH2 . 36339 1 494 . 1 . 1 43 43 TRP N N 15 118.512 0.300 . 1 . . . . A 43 TRP N . 36339 1 495 . 1 . 1 43 43 TRP NE1 N 15 128.625 0.300 . 1 . . . . A 43 TRP NE1 . 36339 1 496 . 1 . 1 44 44 ARG H H 1 8.099 0.030 . 1 . . . . A 44 ARG H . 36339 1 497 . 1 . 1 44 44 ARG HA H 1 3.652 0.030 . 1 . . . . A 44 ARG HA . 36339 1 498 . 1 . 1 44 44 ARG HB2 H 1 1.881 0.030 . 1 . . . . A 44 ARG HB2 . 36339 1 499 . 1 . 1 44 44 ARG HB3 H 1 1.881 0.030 . 1 . . . . A 44 ARG HB3 . 36339 1 500 . 1 . 1 44 44 ARG C C 13 178.570 0.300 . 1 . . . . A 44 ARG C . 36339 1 501 . 1 . 1 44 44 ARG CA C 13 60.343 0.300 . 1 . . . . A 44 ARG CA . 36339 1 502 . 1 . 1 44 44 ARG CB C 13 29.745 0.300 . 1 . . . . A 44 ARG CB . 36339 1 503 . 1 . 1 44 44 ARG CG C 13 29.658 0.300 . 1 . . . . A 44 ARG CG . 36339 1 504 . 1 . 1 44 44 ARG N N 15 118.460 0.300 . 1 . . . . A 44 ARG N . 36339 1 505 . 1 . 1 45 45 GLN H H 1 7.970 0.030 . 1 . . . . A 45 GLN H . 36339 1 506 . 1 . 1 45 45 GLN HA H 1 4.091 0.030 . 1 . . . . A 45 GLN HA . 36339 1 507 . 1 . 1 45 45 GLN HB2 H 1 2.090 0.030 . 1 . . . . A 45 GLN HB2 . 36339 1 508 . 1 . 1 45 45 GLN HB3 H 1 2.090 0.030 . 1 . . . . A 45 GLN HB3 . 36339 1 509 . 1 . 1 45 45 GLN HG2 H 1 2.359 0.030 . 2 . . . . A 45 GLN HG2 . 36339 1 510 . 1 . 1 45 45 GLN HG3 H 1 2.571 0.030 . 2 . . . . A 45 GLN HG3 . 36339 1 511 . 1 . 1 45 45 GLN HE21 H 1 6.804 0.030 . 2 . . . . A 45 GLN HE21 . 36339 1 512 . 1 . 1 45 45 GLN HE22 H 1 7.488 0.030 . 2 . . . . A 45 GLN HE22 . 36339 1 513 . 1 . 1 45 45 GLN C C 13 178.575 0.300 . 1 . . . . A 45 GLN C . 36339 1 514 . 1 . 1 45 45 GLN CA C 13 58.663 0.300 . 1 . . . . A 45 GLN CA . 36339 1 515 . 1 . 1 45 45 GLN CB C 13 29.066 0.300 . 1 . . . . A 45 GLN CB . 36339 1 516 . 1 . 1 45 45 GLN CG C 13 34.305 0.300 . 1 . . . . A 45 GLN CG . 36339 1 517 . 1 . 1 45 45 GLN N N 15 116.693 0.300 . 1 . . . . A 45 GLN N . 36339 1 518 . 1 . 1 45 45 GLN NE2 N 15 111.202 0.300 . 1 . . . . A 45 GLN NE2 . 36339 1 519 . 1 . 1 46 46 ALA H H 1 8.293 0.030 . 1 . . . . A 46 ALA H . 36339 1 520 . 1 . 1 46 46 ALA HA H 1 4.070 0.030 . 1 . . . . A 46 ALA HA . 36339 1 521 . 1 . 1 46 46 ALA HB1 H 1 1.390 0.030 . 1 . . . . A 46 ALA HB1 . 36339 1 522 . 1 . 1 46 46 ALA HB2 H 1 1.390 0.030 . 1 . . . . A 46 ALA HB2 . 36339 1 523 . 1 . 1 46 46 ALA HB3 H 1 1.390 0.030 . 1 . . . . A 46 ALA HB3 . 36339 1 524 . 1 . 1 46 46 ALA C C 13 178.662 0.300 . 1 . . . . A 46 ALA C . 36339 1 525 . 1 . 1 46 46 ALA CA C 13 54.746 0.300 . 1 . . . . A 46 ALA CA . 36339 1 526 . 1 . 1 46 46 ALA CB C 13 19.027 0.300 . 1 . . . . A 46 ALA CB . 36339 1 527 . 1 . 1 46 46 ALA N N 15 121.519 0.300 . 1 . . . . A 46 ALA N . 36339 1 528 . 1 . 1 47 47 ALA H H 1 8.463 0.030 . 1 . . . . A 47 ALA H . 36339 1 529 . 1 . 1 47 47 ALA HA H 1 3.581 0.030 . 1 . . . . A 47 ALA HA . 36339 1 530 . 1 . 1 47 47 ALA HB1 H 1 1.091 0.030 . 1 . . . . A 47 ALA HB1 . 36339 1 531 . 1 . 1 47 47 ALA HB2 H 1 1.091 0.030 . 1 . . . . A 47 ALA HB2 . 36339 1 532 . 1 . 1 47 47 ALA HB3 H 1 1.091 0.030 . 1 . . . . A 47 ALA HB3 . 36339 1 533 . 1 . 1 47 47 ALA C C 13 178.862 0.300 . 1 . . . . A 47 ALA C . 36339 1 534 . 1 . 1 47 47 ALA CA C 13 55.789 0.300 . 1 . . . . A 47 ALA CA . 36339 1 535 . 1 . 1 47 47 ALA CB C 13 18.124 0.300 . 1 . . . . A 47 ALA CB . 36339 1 536 . 1 . 1 47 47 ALA N N 15 119.592 0.300 . 1 . . . . A 47 ALA N . 36339 1 537 . 1 . 1 48 48 GLU H H 1 7.921 0.030 . 1 . . . . A 48 GLU H . 36339 1 538 . 1 . 1 48 48 GLU HA H 1 3.989 0.030 . 1 . . . . A 48 GLU HA . 36339 1 539 . 1 . 1 48 48 GLU HB2 H 1 2.113 0.030 . 1 . . . . A 48 GLU HB2 . 36339 1 540 . 1 . 1 48 48 GLU HB3 H 1 2.113 0.030 . 1 . . . . A 48 GLU HB3 . 36339 1 541 . 1 . 1 48 48 GLU HG2 H 1 2.448 0.030 . 1 . . . . A 48 GLU HG2 . 36339 1 542 . 1 . 1 48 48 GLU HG3 H 1 2.448 0.030 . 1 . . . . A 48 GLU HG3 . 36339 1 543 . 1 . 1 48 48 GLU C C 13 179.513 0.300 . 1 . . . . A 48 GLU C . 36339 1 544 . 1 . 1 48 48 GLU CA C 13 59.923 0.300 . 1 . . . . A 48 GLU CA . 36339 1 545 . 1 . 1 48 48 GLU CB C 13 29.635 0.300 . 1 . . . . A 48 GLU CB . 36339 1 546 . 1 . 1 48 48 GLU CG C 13 36.627 0.300 . 1 . . . . A 48 GLU CG . 36339 1 547 . 1 . 1 48 48 GLU N N 15 115.530 0.300 . 1 . . . . A 48 GLU N . 36339 1 548 . 1 . 1 49 49 LYS H H 1 7.511 0.030 . 1 . . . . A 49 LYS H . 36339 1 549 . 1 . 1 49 49 LYS HA H 1 4.200 0.030 . 1 . . . . A 49 LYS HA . 36339 1 550 . 1 . 1 49 49 LYS HB2 H 1 1.880 0.030 . 1 . . . . A 49 LYS HB2 . 36339 1 551 . 1 . 1 49 49 LYS HB3 H 1 1.880 0.030 . 1 . . . . A 49 LYS HB3 . 36339 1 552 . 1 . 1 49 49 LYS HG2 H 1 1.563 0.030 . 1 . . . . A 49 LYS HG2 . 36339 1 553 . 1 . 1 49 49 LYS HG3 H 1 1.563 0.030 . 1 . . . . A 49 LYS HG3 . 36339 1 554 . 1 . 1 49 49 LYS HD2 H 1 1.537 0.030 . 2 . . . . A 49 LYS HD2 . 36339 1 555 . 1 . 1 49 49 LYS HD3 H 1 1.808 0.030 . 2 . . . . A 49 LYS HD3 . 36339 1 556 . 1 . 1 49 49 LYS C C 13 178.386 0.300 . 1 . . . . A 49 LYS C . 36339 1 557 . 1 . 1 49 49 LYS CA C 13 58.699 0.300 . 1 . . . . A 49 LYS CA . 36339 1 558 . 1 . 1 49 49 LYS CB C 13 32.488 0.300 . 1 . . . . A 49 LYS CB . 36339 1 559 . 1 . 1 49 49 LYS CG C 13 25.839 0.300 . 1 . . . . A 49 LYS CG . 36339 1 560 . 1 . 1 49 49 LYS CD C 13 27.124 0.300 . 1 . . . . A 49 LYS CD . 36339 1 561 . 1 . 1 49 49 LYS CE C 13 42.167 0.300 . 1 . . . . A 49 LYS CE . 36339 1 562 . 1 . 1 49 49 LYS N N 15 118.619 0.300 . 1 . . . . A 49 LYS N . 36339 1 563 . 1 . 1 50 50 ILE H H 1 8.226 0.030 . 1 . . . . A 50 ILE H . 36339 1 564 . 1 . 1 50 50 ILE HA H 1 3.528 0.030 . 1 . . . . A 50 ILE HA . 36339 1 565 . 1 . 1 50 50 ILE HB H 1 1.806 0.030 . 1 . . . . A 50 ILE HB . 36339 1 566 . 1 . 1 50 50 ILE HG12 H 1 0.822 0.030 . 2 . . . . A 50 ILE HG12 . 36339 1 567 . 1 . 1 50 50 ILE HG13 H 1 1.624 0.030 . 2 . . . . A 50 ILE HG13 . 36339 1 568 . 1 . 1 50 50 ILE HG21 H 1 0.658 0.030 . 1 . . . . A 50 ILE HG21 . 36339 1 569 . 1 . 1 50 50 ILE HG22 H 1 0.658 0.030 . 1 . . . . A 50 ILE HG22 . 36339 1 570 . 1 . 1 50 50 ILE HG23 H 1 0.658 0.030 . 1 . . . . A 50 ILE HG23 . 36339 1 571 . 1 . 1 50 50 ILE HD11 H 1 0.642 0.030 . 1 . . . . A 50 ILE HD11 . 36339 1 572 . 1 . 1 50 50 ILE HD12 H 1 0.642 0.030 . 1 . . . . A 50 ILE HD12 . 36339 1 573 . 1 . 1 50 50 ILE HD13 H 1 0.642 0.030 . 1 . . . . A 50 ILE HD13 . 36339 1 574 . 1 . 1 50 50 ILE C C 13 177.373 0.300 . 1 . . . . A 50 ILE C . 36339 1 575 . 1 . 1 50 50 ILE CA C 13 64.980 0.300 . 1 . . . . A 50 ILE CA . 36339 1 576 . 1 . 1 50 50 ILE CB C 13 37.068 0.300 . 1 . . . . A 50 ILE CB . 36339 1 577 . 1 . 1 50 50 ILE CG1 C 13 29.343 0.300 . 1 . . . . A 50 ILE CG1 . 36339 1 578 . 1 . 1 50 50 ILE CG2 C 13 17.908 0.300 . 1 . . . . A 50 ILE CG2 . 36339 1 579 . 1 . 1 50 50 ILE CD1 C 13 13.477 0.300 . 1 . . . . A 50 ILE CD1 . 36339 1 580 . 1 . 1 50 50 ILE N N 15 120.123 0.300 . 1 . . . . A 50 ILE N . 36339 1 581 . 1 . 1 51 51 PHE H H 1 8.265 0.030 . 1 . . . . A 51 PHE H . 36339 1 582 . 1 . 1 51 51 PHE HA H 1 4.254 0.030 . 1 . . . . A 51 PHE HA . 36339 1 583 . 1 . 1 51 51 PHE HB2 H 1 3.227 0.030 . 2 . . . . A 51 PHE HB2 . 36339 1 584 . 1 . 1 51 51 PHE HB3 H 1 3.297 0.030 . 2 . . . . A 51 PHE HB3 . 36339 1 585 . 1 . 1 51 51 PHE HD1 H 1 7.214 0.030 . 1 . . . . A 51 PHE HD1 . 36339 1 586 . 1 . 1 51 51 PHE HD2 H 1 7.214 0.030 . 1 . . . . A 51 PHE HD2 . 36339 1 587 . 1 . 1 51 51 PHE HE1 H 1 7.249 0.030 . 1 . . . . A 51 PHE HE1 . 36339 1 588 . 1 . 1 51 51 PHE HE2 H 1 7.249 0.030 . 1 . . . . A 51 PHE HE2 . 36339 1 589 . 1 . 1 51 51 PHE HZ H 1 7.251 0.030 . 1 . . . . A 51 PHE HZ . 36339 1 590 . 1 . 1 51 51 PHE C C 13 178.344 0.300 . 1 . . . . A 51 PHE C . 36339 1 591 . 1 . 1 51 51 PHE CA C 13 61.382 0.300 . 1 . . . . A 51 PHE CA . 36339 1 592 . 1 . 1 51 51 PHE CB C 13 38.016 0.300 . 1 . . . . A 51 PHE CB . 36339 1 593 . 1 . 1 51 51 PHE CD1 C 13 131.516 0.300 . 1 . . . . A 51 PHE CD1 . 36339 1 594 . 1 . 1 51 51 PHE CD2 C 13 131.516 0.300 . 1 . . . . A 51 PHE CD2 . 36339 1 595 . 1 . 1 51 51 PHE CE1 C 13 131.258 0.300 . 1 . . . . A 51 PHE CE1 . 36339 1 596 . 1 . 1 51 51 PHE CE2 C 13 131.258 0.300 . 1 . . . . A 51 PHE CE2 . 36339 1 597 . 1 . 1 51 51 PHE CZ C 13 129.891 0.300 . 1 . . . . A 51 PHE CZ . 36339 1 598 . 1 . 1 51 51 PHE N N 15 119.248 0.300 . 1 . . . . A 51 PHE N . 36339 1 599 . 1 . 1 52 52 GLU H H 1 8.154 0.030 . 1 . . . . A 52 GLU H . 36339 1 600 . 1 . 1 52 52 GLU HA H 1 3.888 0.030 . 1 . . . . A 52 GLU HA . 36339 1 601 . 1 . 1 52 52 GLU HB2 H 1 2.201 0.030 . 1 . . . . A 52 GLU HB2 . 36339 1 602 . 1 . 1 52 52 GLU HB3 H 1 2.201 0.030 . 1 . . . . A 52 GLU HB3 . 36339 1 603 . 1 . 1 52 52 GLU HG2 H 1 2.483 0.030 . 1 . . . . A 52 GLU HG2 . 36339 1 604 . 1 . 1 52 52 GLU HG3 H 1 2.483 0.030 . 1 . . . . A 52 GLU HG3 . 36339 1 605 . 1 . 1 52 52 GLU C C 13 178.249 0.300 . 1 . . . . A 52 GLU C . 36339 1 606 . 1 . 1 52 52 GLU CA C 13 59.495 0.300 . 1 . . . . A 52 GLU CA . 36339 1 607 . 1 . 1 52 52 GLU CB C 13 29.659 0.300 . 1 . . . . A 52 GLU CB . 36339 1 608 . 1 . 1 52 52 GLU CG C 13 36.474 0.300 . 1 . . . . A 52 GLU CG . 36339 1 609 . 1 . 1 52 52 GLU N N 15 120.338 0.300 . 1 . . . . A 52 GLU N . 36339 1 610 . 1 . 1 53 53 ALA H H 1 8.591 0.030 . 1 . . . . A 53 ALA H . 36339 1 611 . 1 . 1 53 53 ALA HA H 1 3.882 0.030 . 1 . . . . A 53 ALA HA . 36339 1 612 . 1 . 1 53 53 ALA HB1 H 1 1.542 0.030 . 1 . . . . A 53 ALA HB1 . 36339 1 613 . 1 . 1 53 53 ALA HB2 H 1 1.542 0.030 . 1 . . . . A 53 ALA HB2 . 36339 1 614 . 1 . 1 53 53 ALA HB3 H 1 1.542 0.030 . 1 . . . . A 53 ALA HB3 . 36339 1 615 . 1 . 1 53 53 ALA C C 13 179.644 0.300 . 1 . . . . A 53 ALA C . 36339 1 616 . 1 . 1 53 53 ALA CA C 13 55.861 0.300 . 1 . . . . A 53 ALA CA . 36339 1 617 . 1 . 1 53 53 ALA CB C 13 18.275 0.300 . 1 . . . . A 53 ALA CB . 36339 1 618 . 1 . 1 53 53 ALA N N 15 122.560 0.300 . 1 . . . . A 53 ALA N . 36339 1 619 . 1 . 1 54 54 PHE H H 1 8.274 0.030 . 1 . . . . A 54 PHE H . 36339 1 620 . 1 . 1 54 54 PHE HA H 1 4.045 0.030 . 1 . . . . A 54 PHE HA . 36339 1 621 . 1 . 1 54 54 PHE HB2 H 1 3.066 0.030 . 2 . . . . A 54 PHE HB2 . 36339 1 622 . 1 . 1 54 54 PHE HB3 H 1 3.173 0.030 . 2 . . . . A 54 PHE HB3 . 36339 1 623 . 1 . 1 54 54 PHE HD1 H 1 7.316 0.030 . 1 . . . . A 54 PHE HD1 . 36339 1 624 . 1 . 1 54 54 PHE HD2 H 1 7.316 0.030 . 1 . . . . A 54 PHE HD2 . 36339 1 625 . 1 . 1 54 54 PHE HE1 H 1 7.039 0.030 . 1 . . . . A 54 PHE HE1 . 36339 1 626 . 1 . 1 54 54 PHE HE2 H 1 7.039 0.030 . 1 . . . . A 54 PHE HE2 . 36339 1 627 . 1 . 1 54 54 PHE HZ H 1 6.999 0.030 . 1 . . . . A 54 PHE HZ . 36339 1 628 . 1 . 1 54 54 PHE C C 13 178.522 0.300 . 1 . . . . A 54 PHE C . 36339 1 629 . 1 . 1 54 54 PHE CA C 13 61.493 0.300 . 1 . . . . A 54 PHE CA . 36339 1 630 . 1 . 1 54 54 PHE CB C 13 38.177 0.300 . 1 . . . . A 54 PHE CB . 36339 1 631 . 1 . 1 54 54 PHE CD1 C 13 131.200 0.300 . 1 . . . . A 54 PHE CD1 . 36339 1 632 . 1 . 1 54 54 PHE CD2 C 13 131.200 0.300 . 1 . . . . A 54 PHE CD2 . 36339 1 633 . 1 . 1 54 54 PHE CE1 C 13 130.480 0.300 . 1 . . . . A 54 PHE CE1 . 36339 1 634 . 1 . 1 54 54 PHE CE2 C 13 130.480 0.300 . 1 . . . . A 54 PHE CE2 . 36339 1 635 . 1 . 1 54 54 PHE CZ C 13 128.640 0.300 . 1 . . . . A 54 PHE CZ . 36339 1 636 . 1 . 1 54 54 PHE N N 15 116.640 0.300 . 1 . . . . A 54 PHE N . 36339 1 637 . 1 . 1 55 55 ARG H H 1 8.094 0.030 . 1 . . . . A 55 ARG H . 36339 1 638 . 1 . 1 55 55 ARG HA H 1 3.950 0.030 . 1 . . . . A 55 ARG HA . 36339 1 639 . 1 . 1 55 55 ARG HB2 H 1 1.771 0.030 . 2 . . . . A 55 ARG HB2 . 36339 1 640 . 1 . 1 55 55 ARG HB3 H 1 1.894 0.030 . 2 . . . . A 55 ARG HB3 . 36339 1 641 . 1 . 1 55 55 ARG HG2 H 1 1.408 0.030 . 2 . . . . A 55 ARG HG2 . 36339 1 642 . 1 . 1 55 55 ARG HG3 H 1 1.629 0.030 . 2 . . . . A 55 ARG HG3 . 36339 1 643 . 1 . 1 55 55 ARG C C 13 179.698 0.300 . 1 . . . . A 55 ARG C . 36339 1 644 . 1 . 1 55 55 ARG CA C 13 59.929 0.300 . 1 . . . . A 55 ARG CA . 36339 1 645 . 1 . 1 55 55 ARG CB C 13 29.853 0.300 . 1 . . . . A 55 ARG CB . 36339 1 646 . 1 . 1 55 55 ARG CG C 13 27.117 0.300 . 1 . . . . A 55 ARG CG . 36339 1 647 . 1 . 1 55 55 ARG N N 15 122.039 0.300 . 1 . . . . A 55 ARG N . 36339 1 648 . 1 . 1 56 56 GLU H H 1 8.610 0.030 . 1 . . . . A 56 GLU H . 36339 1 649 . 1 . 1 56 56 GLU HA H 1 4.391 0.030 . 1 . . . . A 56 GLU HA . 36339 1 650 . 1 . 1 56 56 GLU HB2 H 1 1.830 0.030 . 2 . . . . A 56 GLU HB2 . 36339 1 651 . 1 . 1 56 56 GLU HB3 H 1 2.282 0.030 . 2 . . . . A 56 GLU HB3 . 36339 1 652 . 1 . 1 56 56 GLU HG2 H 1 2.045 0.030 . 2 . . . . A 56 GLU HG2 . 36339 1 653 . 1 . 1 56 56 GLU HG3 H 1 2.466 0.030 . 2 . . . . A 56 GLU HG3 . 36339 1 654 . 1 . 1 56 56 GLU C C 13 179.903 0.300 . 1 . . . . A 56 GLU C . 36339 1 655 . 1 . 1 56 56 GLU CA C 13 58.825 0.300 . 1 . . . . A 56 GLU CA . 36339 1 656 . 1 . 1 56 56 GLU CB C 13 28.343 0.300 . 1 . . . . A 56 GLU CB . 36339 1 657 . 1 . 1 56 56 GLU CG C 13 35.334 0.300 . 1 . . . . A 56 GLU CG . 36339 1 658 . 1 . 1 56 56 GLU N N 15 118.790 0.300 . 1 . . . . A 56 GLU N . 36339 1 659 . 1 . 1 57 57 ALA H H 1 8.639 0.030 . 1 . . . . A 57 ALA H . 36339 1 660 . 1 . 1 57 57 ALA HA H 1 3.680 0.030 . 1 . . . . A 57 ALA HA . 36339 1 661 . 1 . 1 57 57 ALA HB1 H 1 1.423 0.030 . 1 . . . . A 57 ALA HB1 . 36339 1 662 . 1 . 1 57 57 ALA HB2 H 1 1.423 0.030 . 1 . . . . A 57 ALA HB2 . 36339 1 663 . 1 . 1 57 57 ALA HB3 H 1 1.423 0.030 . 1 . . . . A 57 ALA HB3 . 36339 1 664 . 1 . 1 57 57 ALA C C 13 180.745 0.300 . 1 . . . . A 57 ALA C . 36339 1 665 . 1 . 1 57 57 ALA CA C 13 55.634 0.300 . 1 . . . . A 57 ALA CA . 36339 1 666 . 1 . 1 57 57 ALA CB C 13 18.616 0.300 . 1 . . . . A 57 ALA CB . 36339 1 667 . 1 . 1 57 57 ALA N N 15 122.230 0.300 . 1 . . . . A 57 ALA N . 36339 1 668 . 1 . 1 58 58 SER H H 1 8.212 0.030 . 1 . . . . A 58 SER H . 36339 1 669 . 1 . 1 58 58 SER HA H 1 4.113 0.030 . 1 . . . . A 58 SER HA . 36339 1 670 . 1 . 1 58 58 SER HB2 H 1 4.047 0.030 . 1 . . . . A 58 SER HB2 . 36339 1 671 . 1 . 1 58 58 SER HB3 H 1 4.047 0.030 . 1 . . . . A 58 SER HB3 . 36339 1 672 . 1 . 1 58 58 SER C C 13 174.841 0.300 . 1 . . . . A 58 SER C . 36339 1 673 . 1 . 1 58 58 SER CA C 13 61.792 0.300 . 1 . . . . A 58 SER CA . 36339 1 674 . 1 . 1 58 58 SER CB C 13 62.927 0.300 . 1 . . . . A 58 SER CB . 36339 1 675 . 1 . 1 58 58 SER N N 15 114.704 0.300 . 1 . . . . A 58 SER N . 36339 1 676 . 1 . 1 59 59 ASN H H 1 7.384 0.030 . 1 . . . . A 59 ASN H . 36339 1 677 . 1 . 1 59 59 ASN HA H 1 4.862 0.030 . 1 . . . . A 59 ASN HA . 36339 1 678 . 1 . 1 59 59 ASN HB2 H 1 2.830 0.030 . 2 . . . . A 59 ASN HB2 . 36339 1 679 . 1 . 1 59 59 ASN HB3 H 1 3.047 0.030 . 2 . . . . A 59 ASN HB3 . 36339 1 680 . 1 . 1 59 59 ASN HD21 H 1 6.790 0.030 . 2 . . . . A 59 ASN HD21 . 36339 1 681 . 1 . 1 59 59 ASN HD22 H 1 7.448 0.030 . 2 . . . . A 59 ASN HD22 . 36339 1 682 . 1 . 1 59 59 ASN C C 13 175.273 0.300 . 1 . . . . A 59 ASN C . 36339 1 683 . 1 . 1 59 59 ASN CA C 13 53.107 0.300 . 1 . . . . A 59 ASN CA . 36339 1 684 . 1 . 1 59 59 ASN CB C 13 39.504 0.300 . 1 . . . . A 59 ASN CB . 36339 1 685 . 1 . 1 59 59 ASN N N 15 117.757 0.300 . 1 . . . . A 59 ASN N . 36339 1 686 . 1 . 1 59 59 ASN ND2 N 15 111.865 0.300 . 1 . . . . A 59 ASN ND2 . 36339 1 687 . 1 . 1 60 60 GLY H H 1 7.997 0.030 . 1 . . . . A 60 GLY H . 36339 1 688 . 1 . 1 60 60 GLY HA2 H 1 3.837 0.030 . 2 . . . . A 60 GLY HA2 . 36339 1 689 . 1 . 1 60 60 GLY HA3 H 1 4.320 0.030 . 2 . . . . A 60 GLY HA3 . 36339 1 690 . 1 . 1 60 60 GLY C C 13 174.283 0.300 . 1 . . . . A 60 GLY C . 36339 1 691 . 1 . 1 60 60 GLY CA C 13 45.484 0.300 . 1 . . . . A 60 GLY CA . 36339 1 692 . 1 . 1 60 60 GLY N N 15 107.199 0.300 . 1 . . . . A 60 GLY N . 36339 1 693 . 1 . 1 61 61 ASN H H 1 8.278 0.030 . 1 . . . . A 61 ASN H . 36339 1 694 . 1 . 1 61 61 ASN HA H 1 5.156 0.030 . 1 . . . . A 61 ASN HA . 36339 1 695 . 1 . 1 61 61 ASN HB2 H 1 2.844 0.030 . 2 . . . . A 61 ASN HB2 . 36339 1 696 . 1 . 1 61 61 ASN HB3 H 1 3.120 0.030 . 2 . . . . A 61 ASN HB3 . 36339 1 697 . 1 . 1 61 61 ASN HD21 H 1 6.896 0.030 . 2 . . . . A 61 ASN HD21 . 36339 1 698 . 1 . 1 61 61 ASN HD22 H 1 7.981 0.030 . 2 . . . . A 61 ASN HD22 . 36339 1 699 . 1 . 1 61 61 ASN C C 13 175.659 0.300 . 1 . . . . A 61 ASN C . 36339 1 700 . 1 . 1 61 61 ASN CA C 13 51.215 0.300 . 1 . . . . A 61 ASN CA . 36339 1 701 . 1 . 1 61 61 ASN CB C 13 36.863 0.300 . 1 . . . . A 61 ASN CB . 36339 1 702 . 1 . 1 61 61 ASN N N 15 122.001 0.300 . 1 . . . . A 61 ASN N . 36339 1 703 . 1 . 1 61 61 ASN ND2 N 15 113.961 0.300 . 1 . . . . A 61 ASN ND2 . 36339 1 704 . 1 . 1 62 62 THR H H 1 7.831 0.030 . 1 . . . . A 62 THR H . 36339 1 705 . 1 . 1 62 62 THR HA H 1 3.558 0.030 . 1 . . . . A 62 THR HA . 36339 1 706 . 1 . 1 62 62 THR HB H 1 4.105 0.030 . 1 . . . . A 62 THR HB . 36339 1 707 . 1 . 1 62 62 THR HG21 H 1 1.182 0.030 . 1 . . . . A 62 THR HG21 . 36339 1 708 . 1 . 1 62 62 THR HG22 H 1 1.182 0.030 . 1 . . . . A 62 THR HG22 . 36339 1 709 . 1 . 1 62 62 THR HG23 H 1 1.182 0.030 . 1 . . . . A 62 THR HG23 . 36339 1 710 . 1 . 1 62 62 THR C C 13 177.721 0.300 . 1 . . . . A 62 THR C . 36339 1 711 . 1 . 1 62 62 THR CA C 13 66.381 0.300 . 1 . . . . A 62 THR CA . 36339 1 712 . 1 . 1 62 62 THR CB C 13 68.132 0.300 . 1 . . . . A 62 THR CB . 36339 1 713 . 1 . 1 62 62 THR CG2 C 13 23.262 0.300 . 1 . . . . A 62 THR CG2 . 36339 1 714 . 1 . 1 62 62 THR N N 15 115.440 0.300 . 1 . . . . A 62 THR N . 36339 1 715 . 1 . 1 63 63 GLU H H 1 8.650 0.030 . 1 . . . . A 63 GLU H . 36339 1 716 . 1 . 1 63 63 GLU HA H 1 4.012 0.030 . 1 . . . . A 63 GLU HA . 36339 1 717 . 1 . 1 63 63 GLU HB2 H 1 2.069 0.030 . 1 . . . . A 63 GLU HB2 . 36339 1 718 . 1 . 1 63 63 GLU HB3 H 1 2.069 0.030 . 1 . . . . A 63 GLU HB3 . 36339 1 719 . 1 . 1 63 63 GLU HG2 H 1 2.298 0.030 . 1 . . . . A 63 GLU HG2 . 36339 1 720 . 1 . 1 63 63 GLU HG3 H 1 2.298 0.030 . 1 . . . . A 63 GLU HG3 . 36339 1 721 . 1 . 1 63 63 GLU C C 13 179.287 0.300 . 1 . . . . A 63 GLU C . 36339 1 722 . 1 . 1 63 63 GLU CA C 13 59.824 0.300 . 1 . . . . A 63 GLU CA . 36339 1 723 . 1 . 1 63 63 GLU CB C 13 28.869 0.300 . 1 . . . . A 63 GLU CB . 36339 1 724 . 1 . 1 63 63 GLU CG C 13 36.401 0.300 . 1 . . . . A 63 GLU CG . 36339 1 725 . 1 . 1 63 63 GLU N N 15 122.042 0.300 . 1 . . . . A 63 GLU N . 36339 1 726 . 1 . 1 64 64 LYS H H 1 7.770 0.030 . 1 . . . . A 64 LYS H . 36339 1 727 . 1 . 1 64 64 LYS HA H 1 3.991 0.030 . 1 . . . . A 64 LYS HA . 36339 1 728 . 1 . 1 64 64 LYS HB2 H 1 1.617 0.030 . 2 . . . . A 64 LYS HB2 . 36339 1 729 . 1 . 1 64 64 LYS HB3 H 1 1.779 0.030 . 2 . . . . A 64 LYS HB3 . 36339 1 730 . 1 . 1 64 64 LYS HG2 H 1 1.335 0.030 . 2 . . . . A 64 LYS HG2 . 36339 1 731 . 1 . 1 64 64 LYS HG3 H 1 1.448 0.030 . 2 . . . . A 64 LYS HG3 . 36339 1 732 . 1 . 1 64 64 LYS HD2 H 1 1.617 0.030 . 2 . . . . A 64 LYS HD2 . 36339 1 733 . 1 . 1 64 64 LYS HD3 H 1 1.780 0.030 . 2 . . . . A 64 LYS HD3 . 36339 1 734 . 1 . 1 64 64 LYS C C 13 178.592 0.300 . 1 . . . . A 64 LYS C . 36339 1 735 . 1 . 1 64 64 LYS CA C 13 58.874 0.300 . 1 . . . . A 64 LYS CA . 36339 1 736 . 1 . 1 64 64 LYS CB C 13 32.875 0.300 . 1 . . . . A 64 LYS CB . 36339 1 737 . 1 . 1 64 64 LYS CG C 13 25.454 0.300 . 1 . . . . A 64 LYS CG . 36339 1 738 . 1 . 1 64 64 LYS CD C 13 28.885 0.300 . 1 . . . . A 64 LYS CD . 36339 1 739 . 1 . 1 64 64 LYS CE C 13 41.996 0.300 . 1 . . . . A 64 LYS CE . 36339 1 740 . 1 . 1 64 64 LYS N N 15 120.374 0.300 . 1 . . . . A 64 LYS N . 36339 1 741 . 1 . 1 65 65 ALA H H 1 7.930 0.030 . 1 . . . . A 65 ALA H . 36339 1 742 . 1 . 1 65 65 ALA HA H 1 3.937 0.030 . 1 . . . . A 65 ALA HA . 36339 1 743 . 1 . 1 65 65 ALA HB1 H 1 1.498 0.030 . 1 . . . . A 65 ALA HB1 . 36339 1 744 . 1 . 1 65 65 ALA HB2 H 1 1.498 0.030 . 1 . . . . A 65 ALA HB2 . 36339 1 745 . 1 . 1 65 65 ALA HB3 H 1 1.498 0.030 . 1 . . . . A 65 ALA HB3 . 36339 1 746 . 1 . 1 65 65 ALA C C 13 178.681 0.300 . 1 . . . . A 65 ALA C . 36339 1 747 . 1 . 1 65 65 ALA CA C 13 55.797 0.300 . 1 . . . . A 65 ALA CA . 36339 1 748 . 1 . 1 65 65 ALA CB C 13 19.596 0.300 . 1 . . . . A 65 ALA CB . 36339 1 749 . 1 . 1 65 65 ALA N N 15 119.770 0.300 . 1 . . . . A 65 ALA N . 36339 1 750 . 1 . 1 66 66 LYS H H 1 8.083 0.030 . 1 . . . . A 66 LYS H . 36339 1 751 . 1 . 1 66 66 LYS HA H 1 3.725 0.030 . 1 . . . . A 66 LYS HA . 36339 1 752 . 1 . 1 66 66 LYS HB2 H 1 1.892 0.030 . 1 . . . . A 66 LYS HB2 . 36339 1 753 . 1 . 1 66 66 LYS HB3 H 1 1.892 0.030 . 1 . . . . A 66 LYS HB3 . 36339 1 754 . 1 . 1 66 66 LYS HG2 H 1 1.312 0.030 . 2 . . . . A 66 LYS HG2 . 36339 1 755 . 1 . 1 66 66 LYS HG3 H 1 1.618 0.030 . 2 . . . . A 66 LYS HG3 . 36339 1 756 . 1 . 1 66 66 LYS C C 13 178.737 0.300 . 1 . . . . A 66 LYS C . 36339 1 757 . 1 . 1 66 66 LYS CA C 13 60.465 0.300 . 1 . . . . A 66 LYS CA . 36339 1 758 . 1 . 1 66 66 LYS CB C 13 32.360 0.300 . 1 . . . . A 66 LYS CB . 36339 1 759 . 1 . 1 66 66 LYS CG C 13 26.149 0.300 . 1 . . . . A 66 LYS CG . 36339 1 760 . 1 . 1 66 66 LYS CD C 13 29.520 0.300 . 1 . . . . A 66 LYS CD . 36339 1 761 . 1 . 1 66 66 LYS CE C 13 42.033 0.300 . 1 . . . . A 66 LYS CE . 36339 1 762 . 1 . 1 66 66 LYS N N 15 116.065 0.300 . 1 . . . . A 66 LYS N . 36339 1 763 . 1 . 1 67 67 LYS H H 1 7.557 0.030 . 1 . . . . A 67 LYS H . 36339 1 764 . 1 . 1 67 67 LYS HA H 1 4.082 0.030 . 1 . . . . A 67 LYS HA . 36339 1 765 . 1 . 1 67 67 LYS HB2 H 1 1.946 0.030 . 1 . . . . A 67 LYS HB2 . 36339 1 766 . 1 . 1 67 67 LYS HB3 H 1 1.946 0.030 . 1 . . . . A 67 LYS HB3 . 36339 1 767 . 1 . 1 67 67 LYS HG2 H 1 1.514 0.030 . 1 . . . . A 67 LYS HG2 . 36339 1 768 . 1 . 1 67 67 LYS HG3 H 1 1.514 0.030 . 1 . . . . A 67 LYS HG3 . 36339 1 769 . 1 . 1 67 67 LYS C C 13 179.634 0.300 . 1 . . . . A 67 LYS C . 36339 1 770 . 1 . 1 67 67 LYS CA C 13 59.233 0.300 . 1 . . . . A 67 LYS CA . 36339 1 771 . 1 . 1 67 67 LYS CB C 13 32.318 0.300 . 1 . . . . A 67 LYS CB . 36339 1 772 . 1 . 1 67 67 LYS CG C 13 24.840 0.300 . 1 . . . . A 67 LYS CG . 36339 1 773 . 1 . 1 67 67 LYS CD C 13 29.003 0.300 . 1 . . . . A 67 LYS CD . 36339 1 774 . 1 . 1 67 67 LYS CE C 13 42.242 0.300 . 1 . . . . A 67 LYS CE . 36339 1 775 . 1 . 1 67 67 LYS N N 15 119.717 0.300 . 1 . . . . A 67 LYS N . 36339 1 776 . 1 . 1 68 68 LEU H H 1 8.142 0.030 . 1 . . . . A 68 LEU H . 36339 1 777 . 1 . 1 68 68 LEU HA H 1 4.079 0.030 . 1 . . . . A 68 LEU HA . 36339 1 778 . 1 . 1 68 68 LEU HB2 H 1 1.445 0.030 . 2 . . . . A 68 LEU HB2 . 36339 1 779 . 1 . 1 68 68 LEU HB3 H 1 1.941 0.030 . 2 . . . . A 68 LEU HB3 . 36339 1 780 . 1 . 1 68 68 LEU HG H 1 1.739 0.030 . 1 . . . . A 68 LEU HG . 36339 1 781 . 1 . 1 68 68 LEU HD11 H 1 0.918 0.030 . 2 . . . . A 68 LEU HD11 . 36339 1 782 . 1 . 1 68 68 LEU HD12 H 1 0.918 0.030 . 2 . . . . A 68 LEU HD12 . 36339 1 783 . 1 . 1 68 68 LEU HD13 H 1 0.918 0.030 . 2 . . . . A 68 LEU HD13 . 36339 1 784 . 1 . 1 68 68 LEU HD21 H 1 0.802 0.030 . 2 . . . . A 68 LEU HD21 . 36339 1 785 . 1 . 1 68 68 LEU HD22 H 1 0.802 0.030 . 2 . . . . A 68 LEU HD22 . 36339 1 786 . 1 . 1 68 68 LEU HD23 H 1 0.802 0.030 . 2 . . . . A 68 LEU HD23 . 36339 1 787 . 1 . 1 68 68 LEU C C 13 179.149 0.300 . 1 . . . . A 68 LEU C . 36339 1 788 . 1 . 1 68 68 LEU CA C 13 57.993 0.300 . 1 . . . . A 68 LEU CA . 36339 1 789 . 1 . 1 68 68 LEU CB C 13 42.530 0.300 . 1 . . . . A 68 LEU CB . 36339 1 790 . 1 . 1 68 68 LEU CG C 13 27.066 0.300 . 1 . . . . A 68 LEU CG . 36339 1 791 . 1 . 1 68 68 LEU CD1 C 13 23.237 0.300 . 2 . . . . A 68 LEU CD1 . 36339 1 792 . 1 . 1 68 68 LEU CD2 C 13 26.240 0.300 . 2 . . . . A 68 LEU CD2 . 36339 1 793 . 1 . 1 68 68 LEU N N 15 120.997 0.300 . 1 . . . . A 68 LEU N . 36339 1 794 . 1 . 1 69 69 LEU H H 1 8.121 0.030 . 1 . . . . A 69 LEU H . 36339 1 795 . 1 . 1 69 69 LEU HA H 1 3.901 0.030 . 1 . . . . A 69 LEU HA . 36339 1 796 . 1 . 1 69 69 LEU HB2 H 1 1.691 0.030 . 1 . . . . A 69 LEU HB2 . 36339 1 797 . 1 . 1 69 69 LEU HB3 H 1 1.691 0.030 . 1 . . . . A 69 LEU HB3 . 36339 1 798 . 1 . 1 69 69 LEU HD11 H 1 0.820 0.030 . 2 . . . . A 69 LEU HD11 . 36339 1 799 . 1 . 1 69 69 LEU HD12 H 1 0.820 0.030 . 2 . . . . A 69 LEU HD12 . 36339 1 800 . 1 . 1 69 69 LEU HD13 H 1 0.820 0.030 . 2 . . . . A 69 LEU HD13 . 36339 1 801 . 1 . 1 69 69 LEU HD21 H 1 0.803 0.030 . 2 . . . . A 69 LEU HD21 . 36339 1 802 . 1 . 1 69 69 LEU HD22 H 1 0.803 0.030 . 2 . . . . A 69 LEU HD22 . 36339 1 803 . 1 . 1 69 69 LEU HD23 H 1 0.803 0.030 . 2 . . . . A 69 LEU HD23 . 36339 1 804 . 1 . 1 69 69 LEU C C 13 178.473 0.300 . 1 . . . . A 69 LEU C . 36339 1 805 . 1 . 1 69 69 LEU CA C 13 57.821 0.300 . 1 . . . . A 69 LEU CA . 36339 1 806 . 1 . 1 69 69 LEU CB C 13 41.595 0.300 . 1 . . . . A 69 LEU CB . 36339 1 807 . 1 . 1 69 69 LEU CD1 C 13 24.977 0.300 . 2 . . . . A 69 LEU CD1 . 36339 1 808 . 1 . 1 69 69 LEU CD2 C 13 24.977 0.300 . 2 . . . . A 69 LEU CD2 . 36339 1 809 . 1 . 1 69 69 LEU N N 15 119.205 0.300 . 1 . . . . A 69 LEU N . 36339 1 810 . 1 . 1 70 70 GLU H H 1 8.110 0.030 . 1 . . . . A 70 GLU H . 36339 1 811 . 1 . 1 70 70 GLU HA H 1 3.826 0.030 . 1 . . . . A 70 GLU HA . 36339 1 812 . 1 . 1 70 70 GLU HB2 H 1 2.075 0.030 . 2 . . . . A 70 GLU HB2 . 36339 1 813 . 1 . 1 70 70 GLU HB3 H 1 2.184 0.030 . 2 . . . . A 70 GLU HB3 . 36339 1 814 . 1 . 1 70 70 GLU HG2 H 1 2.470 0.030 . 1 . . . . A 70 GLU HG2 . 36339 1 815 . 1 . 1 70 70 GLU HG3 H 1 2.470 0.030 . 1 . . . . A 70 GLU HG3 . 36339 1 816 . 1 . 1 70 70 GLU C C 13 179.186 0.300 . 1 . . . . A 70 GLU C . 36339 1 817 . 1 . 1 70 70 GLU CA C 13 60.080 0.300 . 1 . . . . A 70 GLU CA . 36339 1 818 . 1 . 1 70 70 GLU CB C 13 29.532 0.300 . 1 . . . . A 70 GLU CB . 36339 1 819 . 1 . 1 70 70 GLU CG C 13 36.548 0.300 . 1 . . . . A 70 GLU CG . 36339 1 820 . 1 . 1 70 70 GLU N N 15 119.209 0.300 . 1 . . . . A 70 GLU N . 36339 1 821 . 1 . 1 71 71 GLU H H 1 8.037 0.030 . 1 . . . . A 71 GLU H . 36339 1 822 . 1 . 1 71 71 GLU HA H 1 4.021 0.030 . 1 . . . . A 71 GLU HA . 36339 1 823 . 1 . 1 71 71 GLU HB2 H 1 2.029 0.030 . 2 . . . . A 71 GLU HB2 . 36339 1 824 . 1 . 1 71 71 GLU HB3 H 1 2.258 0.030 . 2 . . . . A 71 GLU HB3 . 36339 1 825 . 1 . 1 71 71 GLU HG2 H 1 2.199 0.030 . 1 . . . . A 71 GLU HG2 . 36339 1 826 . 1 . 1 71 71 GLU HG3 H 1 2.199 0.030 . 1 . . . . A 71 GLU HG3 . 36339 1 827 . 1 . 1 71 71 GLU C C 13 179.874 0.300 . 1 . . . . A 71 GLU C . 36339 1 828 . 1 . 1 71 71 GLU CA C 13 59.558 0.300 . 1 . . . . A 71 GLU CA . 36339 1 829 . 1 . 1 71 71 GLU CB C 13 29.569 0.300 . 1 . . . . A 71 GLU CB . 36339 1 830 . 1 . 1 71 71 GLU CG C 13 36.448 0.300 . 1 . . . . A 71 GLU CG . 36339 1 831 . 1 . 1 71 71 GLU N N 15 118.933 0.300 . 1 . . . . A 71 GLU N . 36339 1 832 . 1 . 1 72 72 ALA H H 1 8.550 0.030 . 1 . . . . A 72 ALA H . 36339 1 833 . 1 . 1 72 72 ALA HA H 1 3.921 0.030 . 1 . . . . A 72 ALA HA . 36339 1 834 . 1 . 1 72 72 ALA HB1 H 1 1.535 0.030 . 1 . . . . A 72 ALA HB1 . 36339 1 835 . 1 . 1 72 72 ALA HB2 H 1 1.535 0.030 . 1 . . . . A 72 ALA HB2 . 36339 1 836 . 1 . 1 72 72 ALA HB3 H 1 1.535 0.030 . 1 . . . . A 72 ALA HB3 . 36339 1 837 . 1 . 1 72 72 ALA C C 13 179.020 0.300 . 1 . . . . A 72 ALA C . 36339 1 838 . 1 . 1 72 72 ALA CA C 13 55.382 0.300 . 1 . . . . A 72 ALA CA . 36339 1 839 . 1 . 1 72 72 ALA CB C 13 18.691 0.300 . 1 . . . . A 72 ALA CB . 36339 1 840 . 1 . 1 72 72 ALA N N 15 123.705 0.300 . 1 . . . . A 72 ALA N . 36339 1 841 . 1 . 1 73 73 ALA H H 1 8.389 0.030 . 1 . . . . A 73 ALA H . 36339 1 842 . 1 . 1 73 73 ALA HA H 1 3.820 0.030 . 1 . . . . A 73 ALA HA . 36339 1 843 . 1 . 1 73 73 ALA HB1 H 1 1.382 0.030 . 1 . . . . A 73 ALA HB1 . 36339 1 844 . 1 . 1 73 73 ALA HB2 H 1 1.382 0.030 . 1 . . . . A 73 ALA HB2 . 36339 1 845 . 1 . 1 73 73 ALA HB3 H 1 1.382 0.030 . 1 . . . . A 73 ALA HB3 . 36339 1 846 . 1 . 1 73 73 ALA C C 13 179.170 0.300 . 1 . . . . A 73 ALA C . 36339 1 847 . 1 . 1 73 73 ALA CA C 13 55.222 0.300 . 1 . . . . A 73 ALA CA . 36339 1 848 . 1 . 1 73 73 ALA CB C 13 18.245 0.300 . 1 . . . . A 73 ALA CB . 36339 1 849 . 1 . 1 73 73 ALA N N 15 118.144 0.300 . 1 . . . . A 73 ALA N . 36339 1 850 . 1 . 1 74 74 ARG H H 1 8.130 0.030 . 1 . . . . A 74 ARG H . 36339 1 851 . 1 . 1 74 74 ARG HA H 1 4.159 0.030 . 1 . . . . A 74 ARG HA . 36339 1 852 . 1 . 1 74 74 ARG HB2 H 1 1.955 0.030 . 1 . . . . A 74 ARG HB2 . 36339 1 853 . 1 . 1 74 74 ARG HB3 H 1 1.955 0.030 . 1 . . . . A 74 ARG HB3 . 36339 1 854 . 1 . 1 74 74 ARG HG2 H 1 1.648 0.030 . 2 . . . . A 74 ARG HG2 . 36339 1 855 . 1 . 1 74 74 ARG HG3 H 1 1.799 0.030 . 2 . . . . A 74 ARG HG3 . 36339 1 856 . 1 . 1 74 74 ARG HD2 H 1 3.239 0.030 . 1 . . . . A 74 ARG HD2 . 36339 1 857 . 1 . 1 74 74 ARG HD3 H 1 3.239 0.030 . 1 . . . . A 74 ARG HD3 . 36339 1 858 . 1 . 1 74 74 ARG C C 13 180.049 0.300 . 1 . . . . A 74 ARG C . 36339 1 859 . 1 . 1 74 74 ARG CA C 13 59.375 0.300 . 1 . . . . A 74 ARG CA . 36339 1 860 . 1 . 1 74 74 ARG CB C 13 30.182 0.300 . 1 . . . . A 74 ARG CB . 36339 1 861 . 1 . 1 74 74 ARG CG C 13 27.762 0.300 . 1 . . . . A 74 ARG CG . 36339 1 862 . 1 . 1 74 74 ARG CD C 13 43.300 0.300 . 1 . . . . A 74 ARG CD . 36339 1 863 . 1 . 1 74 74 ARG N N 15 117.767 0.300 . 1 . . . . A 74 ARG N . 36339 1 864 . 1 . 1 75 75 THR H H 1 8.251 0.030 . 1 . . . . A 75 THR H . 36339 1 865 . 1 . 1 75 75 THR HA H 1 3.999 0.030 . 1 . . . . A 75 THR HA . 36339 1 866 . 1 . 1 75 75 THR HB H 1 4.279 0.030 . 1 . . . . A 75 THR HB . 36339 1 867 . 1 . 1 75 75 THR HG21 H 1 1.265 0.030 . 1 . . . . A 75 THR HG21 . 36339 1 868 . 1 . 1 75 75 THR HG22 H 1 1.265 0.030 . 1 . . . . A 75 THR HG22 . 36339 1 869 . 1 . 1 75 75 THR HG23 H 1 1.265 0.030 . 1 . . . . A 75 THR HG23 . 36339 1 870 . 1 . 1 75 75 THR C C 13 175.021 0.300 . 1 . . . . A 75 THR C . 36339 1 871 . 1 . 1 75 75 THR CA C 13 66.011 0.300 . 1 . . . . A 75 THR CA . 36339 1 872 . 1 . 1 75 75 THR CB C 13 69.080 0.300 . 1 . . . . A 75 THR CB . 36339 1 873 . 1 . 1 75 75 THR CG2 C 13 21.846 0.300 . 1 . . . . A 75 THR CG2 . 36339 1 874 . 1 . 1 75 75 THR N N 15 116.734 0.300 . 1 . . . . A 75 THR N . 36339 1 875 . 1 . 1 76 76 ALA H H 1 7.720 0.030 . 1 . . . . A 76 ALA H . 36339 1 876 . 1 . 1 76 76 ALA HA H 1 4.117 0.030 . 1 . . . . A 76 ALA HA . 36339 1 877 . 1 . 1 76 76 ALA HB1 H 1 1.246 0.030 . 1 . . . . A 76 ALA HB1 . 36339 1 878 . 1 . 1 76 76 ALA HB2 H 1 1.246 0.030 . 1 . . . . A 76 ALA HB2 . 36339 1 879 . 1 . 1 76 76 ALA HB3 H 1 1.246 0.030 . 1 . . . . A 76 ALA HB3 . 36339 1 880 . 1 . 1 76 76 ALA C C 13 176.092 0.300 . 1 . . . . A 76 ALA C . 36339 1 881 . 1 . 1 76 76 ALA CA C 13 52.535 0.300 . 1 . . . . A 76 ALA CA . 36339 1 882 . 1 . 1 76 76 ALA CB C 13 19.122 0.300 . 1 . . . . A 76 ALA CB . 36339 1 883 . 1 . 1 76 76 ALA N N 15 120.571 0.300 . 1 . . . . A 76 ALA N . 36339 1 884 . 1 . 1 77 77 GLY H H 1 7.722 0.030 . 1 . . . . A 77 GLY H . 36339 1 885 . 1 . 1 77 77 GLY HA2 H 1 3.771 0.030 . 2 . . . . A 77 GLY HA2 . 36339 1 886 . 1 . 1 77 77 GLY HA3 H 1 4.040 0.030 . 2 . . . . A 77 GLY HA3 . 36339 1 887 . 1 . 1 77 77 GLY C C 13 174.784 0.300 . 1 . . . . A 77 GLY C . 36339 1 888 . 1 . 1 77 77 GLY CA C 13 45.658 0.300 . 1 . . . . A 77 GLY CA . 36339 1 889 . 1 . 1 77 77 GLY N N 15 105.150 0.300 . 1 . . . . A 77 GLY N . 36339 1 890 . 1 . 1 78 78 ALA H H 1 7.890 0.030 . 1 . . . . A 78 ALA H . 36339 1 891 . 1 . 1 78 78 ALA HA H 1 4.339 0.030 . 1 . . . . A 78 ALA HA . 36339 1 892 . 1 . 1 78 78 ALA HB1 H 1 1.224 0.030 . 1 . . . . A 78 ALA HB1 . 36339 1 893 . 1 . 1 78 78 ALA HB2 H 1 1.224 0.030 . 1 . . . . A 78 ALA HB2 . 36339 1 894 . 1 . 1 78 78 ALA HB3 H 1 1.224 0.030 . 1 . . . . A 78 ALA HB3 . 36339 1 895 . 1 . 1 78 78 ALA C C 13 176.312 0.300 . 1 . . . . A 78 ALA C . 36339 1 896 . 1 . 1 78 78 ALA CA C 13 51.460 0.300 . 1 . . . . A 78 ALA CA . 36339 1 897 . 1 . 1 78 78 ALA CB C 13 20.084 0.300 . 1 . . . . A 78 ALA CB . 36339 1 898 . 1 . 1 78 78 ALA N N 15 121.435 0.300 . 1 . . . . A 78 ALA N . 36339 1 899 . 1 . 1 79 79 SER H H 1 8.152 0.030 . 1 . . . . A 79 SER H . 36339 1 900 . 1 . 1 79 79 SER HA H 1 4.725 0.030 . 1 . . . . A 79 SER HA . 36339 1 901 . 1 . 1 79 79 SER HB2 H 1 3.995 0.030 . 2 . . . . A 79 SER HB2 . 36339 1 902 . 1 . 1 79 79 SER HB3 H 1 4.296 0.030 . 2 . . . . A 79 SER HB3 . 36339 1 903 . 1 . 1 79 79 SER C C 13 173.714 0.300 . 1 . . . . A 79 SER C . 36339 1 904 . 1 . 1 79 79 SER CA C 13 56.017 0.300 . 1 . . . . A 79 SER CA . 36339 1 905 . 1 . 1 79 79 SER CB C 13 59.702 0.300 . 1 . . . . A 79 SER CB . 36339 1 906 . 1 . 1 79 79 SER N N 15 116.967 0.300 . 1 . . . . A 79 SER N . 36339 1 907 . 1 . 1 80 80 PRO HA H 1 4.177 0.030 . 1 . . . . A 80 PRO HA . 36339 1 908 . 1 . 1 80 80 PRO HB2 H 1 1.962 0.030 . 2 . . . . A 80 PRO HB2 . 36339 1 909 . 1 . 1 80 80 PRO HB3 H 1 2.385 0.030 . 2 . . . . A 80 PRO HB3 . 36339 1 910 . 1 . 1 80 80 PRO HG2 H 1 2.051 0.030 . 1 . . . . A 80 PRO HG2 . 36339 1 911 . 1 . 1 80 80 PRO HG3 H 1 2.051 0.030 . 1 . . . . A 80 PRO HG3 . 36339 1 912 . 1 . 1 80 80 PRO HD2 H 1 3.929 0.030 . 1 . . . . A 80 PRO HD2 . 36339 1 913 . 1 . 1 80 80 PRO HD3 H 1 3.929 0.030 . 1 . . . . A 80 PRO HD3 . 36339 1 914 . 1 . 1 80 80 PRO C C 13 178.810 0.300 . 1 . . . . A 80 PRO C . 36339 1 915 . 1 . 1 80 80 PRO CA C 13 65.350 0.300 . 1 . . . . A 80 PRO CA . 36339 1 916 . 1 . 1 80 80 PRO CB C 13 31.936 0.300 . 1 . . . . A 80 PRO CB . 36339 1 917 . 1 . 1 80 80 PRO CG C 13 27.896 0.300 . 1 . . . . A 80 PRO CG . 36339 1 918 . 1 . 1 80 80 PRO CD C 13 50.769 0.300 . 1 . . . . A 80 PRO CD . 36339 1 919 . 1 . 1 81 81 GLU H H 1 8.467 0.030 . 1 . . . . A 81 GLU H . 36339 1 920 . 1 . 1 81 81 GLU HA H 1 4.019 0.030 . 1 . . . . A 81 GLU HA . 36339 1 921 . 1 . 1 81 81 GLU HB2 H 1 2.017 0.030 . 1 . . . . A 81 GLU HB2 . 36339 1 922 . 1 . 1 81 81 GLU HB3 H 1 2.017 0.030 . 1 . . . . A 81 GLU HB3 . 36339 1 923 . 1 . 1 81 81 GLU HG2 H 1 2.315 0.030 . 1 . . . . A 81 GLU HG2 . 36339 1 924 . 1 . 1 81 81 GLU HG3 H 1 2.315 0.030 . 1 . . . . A 81 GLU HG3 . 36339 1 925 . 1 . 1 81 81 GLU C C 13 178.977 0.300 . 1 . . . . A 81 GLU C . 36339 1 926 . 1 . 1 81 81 GLU CA C 13 59.771 0.300 . 1 . . . . A 81 GLU CA . 36339 1 927 . 1 . 1 81 81 GLU CB C 13 28.789 0.300 . 1 . . . . A 81 GLU CB . 36339 1 928 . 1 . 1 81 81 GLU CG C 13 37.310 0.300 . 1 . . . . A 81 GLU CG . 36339 1 929 . 1 . 1 81 81 GLU N N 15 117.008 0.300 . 1 . . . . A 81 GLU N . 36339 1 930 . 1 . 1 82 82 ILE H H 1 7.559 0.030 . 1 . . . . A 82 ILE H . 36339 1 931 . 1 . 1 82 82 ILE HA H 1 3.921 0.030 . 1 . . . . A 82 ILE HA . 36339 1 932 . 1 . 1 82 82 ILE HB H 1 2.050 0.030 . 1 . . . . A 82 ILE HB . 36339 1 933 . 1 . 1 82 82 ILE HG12 H 1 1.381 0.030 . 2 . . . . A 82 ILE HG12 . 36339 1 934 . 1 . 1 82 82 ILE HG13 H 1 1.545 0.030 . 2 . . . . A 82 ILE HG13 . 36339 1 935 . 1 . 1 82 82 ILE HG21 H 1 0.915 0.030 . 1 . . . . A 82 ILE HG21 . 36339 1 936 . 1 . 1 82 82 ILE HG22 H 1 0.915 0.030 . 1 . . . . A 82 ILE HG22 . 36339 1 937 . 1 . 1 82 82 ILE HG23 H 1 0.915 0.030 . 1 . . . . A 82 ILE HG23 . 36339 1 938 . 1 . 1 82 82 ILE HD11 H 1 0.880 0.030 . 1 . . . . A 82 ILE HD11 . 36339 1 939 . 1 . 1 82 82 ILE HD12 H 1 0.880 0.030 . 1 . . . . A 82 ILE HD12 . 36339 1 940 . 1 . 1 82 82 ILE HD13 H 1 0.880 0.030 . 1 . . . . A 82 ILE HD13 . 36339 1 941 . 1 . 1 82 82 ILE C C 13 177.738 0.300 . 1 . . . . A 82 ILE C . 36339 1 942 . 1 . 1 82 82 ILE CA C 13 63.435 0.300 . 1 . . . . A 82 ILE CA . 36339 1 943 . 1 . 1 82 82 ILE CB C 13 37.600 0.300 . 1 . . . . A 82 ILE CB . 36339 1 944 . 1 . 1 82 82 ILE CG1 C 13 28.683 0.300 . 1 . . . . A 82 ILE CG1 . 36339 1 945 . 1 . 1 82 82 ILE CG2 C 13 17.724 0.300 . 1 . . . . A 82 ILE CG2 . 36339 1 946 . 1 . 1 82 82 ILE CD1 C 13 13.125 0.300 . 1 . . . . A 82 ILE CD1 . 36339 1 947 . 1 . 1 82 82 ILE N N 15 118.831 0.300 . 1 . . . . A 82 ILE N . 36339 1 948 . 1 . 1 83 83 ILE H H 1 7.679 0.030 . 1 . . . . A 83 ILE H . 36339 1 949 . 1 . 1 83 83 ILE HA H 1 3.696 0.030 . 1 . . . . A 83 ILE HA . 36339 1 950 . 1 . 1 83 83 ILE HB H 1 2.046 0.030 . 1 . . . . A 83 ILE HB . 36339 1 951 . 1 . 1 83 83 ILE HG12 H 1 1.072 0.030 . 2 . . . . A 83 ILE HG12 . 36339 1 952 . 1 . 1 83 83 ILE HG13 H 1 1.543 0.030 . 2 . . . . A 83 ILE HG13 . 36339 1 953 . 1 . 1 83 83 ILE HG21 H 1 0.890 0.030 . 1 . . . . A 83 ILE HG21 . 36339 1 954 . 1 . 1 83 83 ILE HG22 H 1 0.890 0.030 . 1 . . . . A 83 ILE HG22 . 36339 1 955 . 1 . 1 83 83 ILE HG23 H 1 0.890 0.030 . 1 . . . . A 83 ILE HG23 . 36339 1 956 . 1 . 1 83 83 ILE HD11 H 1 0.728 0.030 . 1 . . . . A 83 ILE HD11 . 36339 1 957 . 1 . 1 83 83 ILE HD12 H 1 0.728 0.030 . 1 . . . . A 83 ILE HD12 . 36339 1 958 . 1 . 1 83 83 ILE HD13 H 1 0.728 0.030 . 1 . . . . A 83 ILE HD13 . 36339 1 959 . 1 . 1 83 83 ILE C C 13 177.272 0.300 . 1 . . . . A 83 ILE C . 36339 1 960 . 1 . 1 83 83 ILE CA C 13 63.898 0.300 . 1 . . . . A 83 ILE CA . 36339 1 961 . 1 . 1 83 83 ILE CB C 13 37.137 0.300 . 1 . . . . A 83 ILE CB . 36339 1 962 . 1 . 1 83 83 ILE CG1 C 13 28.432 0.300 . 1 . . . . A 83 ILE CG1 . 36339 1 963 . 1 . 1 83 83 ILE CG2 C 13 18.171 0.300 . 1 . . . . A 83 ILE CG2 . 36339 1 964 . 1 . 1 83 83 ILE CD1 C 13 12.626 0.300 . 1 . . . . A 83 ILE CD1 . 36339 1 965 . 1 . 1 83 83 ILE N N 15 118.305 0.300 . 1 . . . . A 83 ILE N . 36339 1 966 . 1 . 1 84 84 LYS H H 1 7.828 0.030 . 1 . . . . A 84 LYS H . 36339 1 967 . 1 . 1 84 84 LYS HA H 1 4.014 0.030 . 1 . . . . A 84 LYS HA . 36339 1 968 . 1 . 1 84 84 LYS HB2 H 1 1.881 0.030 . 1 . . . . A 84 LYS HB2 . 36339 1 969 . 1 . 1 84 84 LYS HB3 H 1 1.881 0.030 . 1 . . . . A 84 LYS HB3 . 36339 1 970 . 1 . 1 84 84 LYS HG2 H 1 1.550 0.030 . 1 . . . . A 84 LYS HG2 . 36339 1 971 . 1 . 1 84 84 LYS HG3 H 1 1.550 0.030 . 1 . . . . A 84 LYS HG3 . 36339 1 972 . 1 . 1 84 84 LYS C C 13 179.256 0.300 . 1 . . . . A 84 LYS C . 36339 1 973 . 1 . 1 84 84 LYS CA C 13 59.782 0.300 . 1 . . . . A 84 LYS CA . 36339 1 974 . 1 . 1 84 84 LYS CB C 13 32.443 0.300 . 1 . . . . A 84 LYS CB . 36339 1 975 . 1 . 1 84 84 LYS CG C 13 25.186 0.300 . 1 . . . . A 84 LYS CG . 36339 1 976 . 1 . 1 84 84 LYS CD C 13 29.387 0.300 . 1 . . . . A 84 LYS CD . 36339 1 977 . 1 . 1 84 84 LYS N N 15 119.027 0.300 . 1 . . . . A 84 LYS N . 36339 1 978 . 1 . 1 85 85 LYS H H 1 7.644 0.030 . 1 . . . . A 85 LYS H . 36339 1 979 . 1 . 1 85 85 LYS HA H 1 4.137 0.030 . 1 . . . . A 85 LYS HA . 36339 1 980 . 1 . 1 85 85 LYS HB2 H 1 1.849 0.030 . 2 . . . . A 85 LYS HB2 . 36339 1 981 . 1 . 1 85 85 LYS HB3 H 1 1.965 0.030 . 2 . . . . A 85 LYS HB3 . 36339 1 982 . 1 . 1 85 85 LYS HG2 H 1 1.493 0.030 . 1 . . . . A 85 LYS HG2 . 36339 1 983 . 1 . 1 85 85 LYS HG3 H 1 1.493 0.030 . 1 . . . . A 85 LYS HG3 . 36339 1 984 . 1 . 1 85 85 LYS HD2 H 1 1.742 0.030 . 1 . . . . A 85 LYS HD2 . 36339 1 985 . 1 . 1 85 85 LYS HD3 H 1 1.742 0.030 . 1 . . . . A 85 LYS HD3 . 36339 1 986 . 1 . 1 85 85 LYS C C 13 179.714 0.300 . 1 . . . . A 85 LYS C . 36339 1 987 . 1 . 1 85 85 LYS CA C 13 59.315 0.300 . 1 . . . . A 85 LYS CA . 36339 1 988 . 1 . 1 85 85 LYS CB C 13 32.417 0.300 . 1 . . . . A 85 LYS CB . 36339 1 989 . 1 . 1 85 85 LYS CG C 13 25.416 0.300 . 1 . . . . A 85 LYS CG . 36339 1 990 . 1 . 1 85 85 LYS CD C 13 29.311 0.300 . 1 . . . . A 85 LYS CD . 36339 1 991 . 1 . 1 85 85 LYS N N 15 118.812 0.300 . 1 . . . . A 85 LYS N . 36339 1 992 . 1 . 1 86 86 LEU H H 1 8.277 0.030 . 1 . . . . A 86 LEU H . 36339 1 993 . 1 . 1 86 86 LEU HA H 1 4.108 0.030 . 1 . . . . A 86 LEU HA . 36339 1 994 . 1 . 1 86 86 LEU HB2 H 1 1.544 0.030 . 2 . . . . A 86 LEU HB2 . 36339 1 995 . 1 . 1 86 86 LEU HB3 H 1 1.858 0.030 . 2 . . . . A 86 LEU HB3 . 36339 1 996 . 1 . 1 86 86 LEU HG H 1 1.805 0.030 . 1 . . . . A 86 LEU HG . 36339 1 997 . 1 . 1 86 86 LEU HD11 H 1 0.873 0.030 . 2 . . . . A 86 LEU HD11 . 36339 1 998 . 1 . 1 86 86 LEU HD12 H 1 0.873 0.030 . 2 . . . . A 86 LEU HD12 . 36339 1 999 . 1 . 1 86 86 LEU HD13 H 1 0.873 0.030 . 2 . . . . A 86 LEU HD13 . 36339 1 1000 . 1 . 1 86 86 LEU HD21 H 1 0.862 0.030 . 2 . . . . A 86 LEU HD21 . 36339 1 1001 . 1 . 1 86 86 LEU HD22 H 1 0.862 0.030 . 2 . . . . A 86 LEU HD22 . 36339 1 1002 . 1 . 1 86 86 LEU HD23 H 1 0.862 0.030 . 2 . . . . A 86 LEU HD23 . 36339 1 1003 . 1 . 1 86 86 LEU C C 13 177.718 0.300 . 1 . . . . A 86 LEU C . 36339 1 1004 . 1 . 1 86 86 LEU CA C 13 57.191 0.300 . 1 . . . . A 86 LEU CA . 36339 1 1005 . 1 . 1 86 86 LEU CB C 13 41.967 0.300 . 1 . . . . A 86 LEU CB . 36339 1 1006 . 1 . 1 86 86 LEU CG C 13 27.158 0.300 . 1 . . . . A 86 LEU CG . 36339 1 1007 . 1 . 1 86 86 LEU CD1 C 13 24.775 0.300 . 2 . . . . A 86 LEU CD1 . 36339 1 1008 . 1 . 1 86 86 LEU CD2 C 13 24.775 0.300 . 2 . . . . A 86 LEU CD2 . 36339 1 1009 . 1 . 1 86 86 LEU N N 15 120.521 0.300 . 1 . . . . A 86 LEU N . 36339 1 1010 . 1 . 1 87 87 ALA H H 1 8.641 0.030 . 1 . . . . A 87 ALA H . 36339 1 1011 . 1 . 1 87 87 ALA HA H 1 3.827 0.030 . 1 . . . . A 87 ALA HA . 36339 1 1012 . 1 . 1 87 87 ALA HB1 H 1 1.481 0.030 . 1 . . . . A 87 ALA HB1 . 36339 1 1013 . 1 . 1 87 87 ALA HB2 H 1 1.481 0.030 . 1 . . . . A 87 ALA HB2 . 36339 1 1014 . 1 . 1 87 87 ALA HB3 H 1 1.481 0.030 . 1 . . . . A 87 ALA HB3 . 36339 1 1015 . 1 . 1 87 87 ALA C C 13 179.976 0.300 . 1 . . . . A 87 ALA C . 36339 1 1016 . 1 . 1 87 87 ALA CA C 13 55.966 0.300 . 1 . . . . A 87 ALA CA . 36339 1 1017 . 1 . 1 87 87 ALA CB C 13 18.061 0.300 . 1 . . . . A 87 ALA CB . 36339 1 1018 . 1 . 1 87 87 ALA N N 15 122.124 0.300 . 1 . . . . A 87 ALA N . 36339 1 1019 . 1 . 1 88 88 SER H H 1 7.975 0.030 . 1 . . . . A 88 SER H . 36339 1 1020 . 1 . 1 88 88 SER HA H 1 3.968 0.030 . 1 . . . . A 88 SER HA . 36339 1 1021 . 1 . 1 88 88 SER HB2 H 1 3.962 0.030 . 2 . . . . A 88 SER HB2 . 36339 1 1022 . 1 . 1 88 88 SER HB3 H 1 4.250 0.030 . 2 . . . . A 88 SER HB3 . 36339 1 1023 . 1 . 1 88 88 SER C C 13 176.684 0.300 . 1 . . . . A 88 SER C . 36339 1 1024 . 1 . 1 88 88 SER CA C 13 61.414 0.300 . 1 . . . . A 88 SER CA . 36339 1 1025 . 1 . 1 88 88 SER CB C 13 63.524 0.300 . 1 . . . . A 88 SER CB . 36339 1 1026 . 1 . 1 88 88 SER N N 15 112.413 0.300 . 1 . . . . A 88 SER N . 36339 1 1027 . 1 . 1 89 89 ALA H H 1 7.684 0.030 . 1 . . . . A 89 ALA H . 36339 1 1028 . 1 . 1 89 89 ALA HA H 1 4.122 0.030 . 1 . . . . A 89 ALA HA . 36339 1 1029 . 1 . 1 89 89 ALA HB1 H 1 1.477 0.030 . 1 . . . . A 89 ALA HB1 . 36339 1 1030 . 1 . 1 89 89 ALA HB2 H 1 1.477 0.030 . 1 . . . . A 89 ALA HB2 . 36339 1 1031 . 1 . 1 89 89 ALA HB3 H 1 1.477 0.030 . 1 . . . . A 89 ALA HB3 . 36339 1 1032 . 1 . 1 89 89 ALA C C 13 180.002 0.300 . 1 . . . . A 89 ALA C . 36339 1 1033 . 1 . 1 89 89 ALA CA C 13 54.965 0.300 . 1 . . . . A 89 ALA CA . 36339 1 1034 . 1 . 1 89 89 ALA CB C 13 18.014 0.300 . 1 . . . . A 89 ALA CB . 36339 1 1035 . 1 . 1 89 89 ALA N N 15 123.907 0.300 . 1 . . . . A 89 ALA N . 36339 1 1036 . 1 . 1 90 90 LEU H H 1 8.188 0.030 . 1 . . . . A 90 LEU H . 36339 1 1037 . 1 . 1 90 90 LEU HA H 1 3.880 0.030 . 1 . . . . A 90 LEU HA . 36339 1 1038 . 1 . 1 90 90 LEU HB2 H 1 1.306 0.030 . 2 . . . . A 90 LEU HB2 . 36339 1 1039 . 1 . 1 90 90 LEU HB3 H 1 1.872 0.030 . 2 . . . . A 90 LEU HB3 . 36339 1 1040 . 1 . 1 90 90 LEU HG H 1 1.722 0.030 . 1 . . . . A 90 LEU HG . 36339 1 1041 . 1 . 1 90 90 LEU HD11 H 1 0.384 0.030 . 2 . . . . A 90 LEU HD11 . 36339 1 1042 . 1 . 1 90 90 LEU HD12 H 1 0.384 0.030 . 2 . . . . A 90 LEU HD12 . 36339 1 1043 . 1 . 1 90 90 LEU HD13 H 1 0.384 0.030 . 2 . . . . A 90 LEU HD13 . 36339 1 1044 . 1 . 1 90 90 LEU HD21 H 1 0.598 0.030 . 2 . . . . A 90 LEU HD21 . 36339 1 1045 . 1 . 1 90 90 LEU HD22 H 1 0.598 0.030 . 2 . . . . A 90 LEU HD22 . 36339 1 1046 . 1 . 1 90 90 LEU HD23 H 1 0.598 0.030 . 2 . . . . A 90 LEU HD23 . 36339 1 1047 . 1 . 1 90 90 LEU C C 13 178.778 0.300 . 1 . . . . A 90 LEU C . 36339 1 1048 . 1 . 1 90 90 LEU CA C 13 57.623 0.300 . 1 . . . . A 90 LEU CA . 36339 1 1049 . 1 . 1 90 90 LEU CB C 13 41.076 0.300 . 1 . . . . A 90 LEU CB . 36339 1 1050 . 1 . 1 90 90 LEU CG C 13 26.402 0.300 . 1 . . . . A 90 LEU CG . 36339 1 1051 . 1 . 1 90 90 LEU CD1 C 13 22.699 0.300 . 2 . . . . A 90 LEU CD1 . 36339 1 1052 . 1 . 1 90 90 LEU CD2 C 13 25.982 0.300 . 2 . . . . A 90 LEU CD2 . 36339 1 1053 . 1 . 1 90 90 LEU N N 15 117.528 0.300 . 1 . . . . A 90 LEU N . 36339 1 1054 . 1 . 1 91 91 GLU H H 1 7.916 0.030 . 1 . . . . A 91 GLU H . 36339 1 1055 . 1 . 1 91 91 GLU HA H 1 3.925 0.030 . 1 . . . . A 91 GLU HA . 36339 1 1056 . 1 . 1 91 91 GLU HB2 H 1 2.199 0.030 . 1 . . . . A 91 GLU HB2 . 36339 1 1057 . 1 . 1 91 91 GLU HB3 H 1 2.199 0.030 . 1 . . . . A 91 GLU HB3 . 36339 1 1058 . 1 . 1 91 91 GLU HG2 H 1 2.448 0.030 . 1 . . . . A 91 GLU HG2 . 36339 1 1059 . 1 . 1 91 91 GLU HG3 H 1 2.448 0.030 . 1 . . . . A 91 GLU HG3 . 36339 1 1060 . 1 . 1 91 91 GLU C C 13 178.809 0.300 . 1 . . . . A 91 GLU C . 36339 1 1061 . 1 . 1 91 91 GLU CA C 13 59.643 0.300 . 1 . . . . A 91 GLU CA . 36339 1 1062 . 1 . 1 91 91 GLU CB C 13 29.652 0.300 . 1 . . . . A 91 GLU CB . 36339 1 1063 . 1 . 1 91 91 GLU CG C 13 36.593 0.300 . 1 . . . . A 91 GLU CG . 36339 1 1064 . 1 . 1 91 91 GLU N N 15 118.885 0.300 . 1 . . . . A 91 GLU N . 36339 1 1065 . 1 . 1 92 92 ARG H H 1 7.696 0.030 . 1 . . . . A 92 ARG H . 36339 1 1066 . 1 . 1 92 92 ARG HA H 1 4.204 0.030 . 1 . . . . A 92 ARG HA . 36339 1 1067 . 1 . 1 92 92 ARG HB2 H 1 1.954 0.030 . 1 . . . . A 92 ARG HB2 . 36339 1 1068 . 1 . 1 92 92 ARG HB3 H 1 1.954 0.030 . 1 . . . . A 92 ARG HB3 . 36339 1 1069 . 1 . 1 92 92 ARG HG2 H 1 1.955 0.030 . 1 . . . . A 92 ARG HG2 . 36339 1 1070 . 1 . 1 92 92 ARG HG3 H 1 1.955 0.030 . 1 . . . . A 92 ARG HG3 . 36339 1 1071 . 1 . 1 92 92 ARG HD2 H 1 3.240 0.030 . 1 . . . . A 92 ARG HD2 . 36339 1 1072 . 1 . 1 92 92 ARG HD3 H 1 3.240 0.030 . 1 . . . . A 92 ARG HD3 . 36339 1 1073 . 1 . 1 92 92 ARG C C 13 178.852 0.300 . 1 . . . . A 92 ARG C . 36339 1 1074 . 1 . 1 92 92 ARG CA C 13 58.652 0.300 . 1 . . . . A 92 ARG CA . 36339 1 1075 . 1 . 1 92 92 ARG CB C 13 30.183 0.300 . 1 . . . . A 92 ARG CB . 36339 1 1076 . 1 . 1 92 92 ARG CG C 13 30.180 0.300 . 1 . . . . A 92 ARG CG . 36339 1 1077 . 1 . 1 92 92 ARG CD C 13 43.279 0.300 . 1 . . . . A 92 ARG CD . 36339 1 1078 . 1 . 1 92 92 ARG N N 15 118.296 0.300 . 1 . . . . A 92 ARG N . 36339 1 1079 . 1 . 1 93 93 LEU H H 1 7.862 0.030 . 1 . . . . A 93 LEU H . 36339 1 1080 . 1 . 1 93 93 LEU HA H 1 4.091 0.030 . 1 . . . . A 93 LEU HA . 36339 1 1081 . 1 . 1 93 93 LEU HB2 H 1 1.609 0.030 . 2 . . . . A 93 LEU HB2 . 36339 1 1082 . 1 . 1 93 93 LEU HB3 H 1 1.775 0.030 . 2 . . . . A 93 LEU HB3 . 36339 1 1083 . 1 . 1 93 93 LEU HD11 H 1 0.895 0.030 . 2 . . . . A 93 LEU HD11 . 36339 1 1084 . 1 . 1 93 93 LEU HD12 H 1 0.895 0.030 . 2 . . . . A 93 LEU HD12 . 36339 1 1085 . 1 . 1 93 93 LEU HD13 H 1 0.895 0.030 . 2 . . . . A 93 LEU HD13 . 36339 1 1086 . 1 . 1 93 93 LEU HD21 H 1 0.909 0.030 . 2 . . . . A 93 LEU HD21 . 36339 1 1087 . 1 . 1 93 93 LEU HD22 H 1 0.909 0.030 . 2 . . . . A 93 LEU HD22 . 36339 1 1088 . 1 . 1 93 93 LEU HD23 H 1 0.909 0.030 . 2 . . . . A 93 LEU HD23 . 36339 1 1089 . 1 . 1 93 93 LEU C C 13 179.120 0.300 . 1 . . . . A 93 LEU C . 36339 1 1090 . 1 . 1 93 93 LEU CA C 13 57.998 0.300 . 1 . . . . A 93 LEU CA . 36339 1 1091 . 1 . 1 93 93 LEU CB C 13 42.064 0.300 . 1 . . . . A 93 LEU CB . 36339 1 1092 . 1 . 1 93 93 LEU CG C 13 27.140 0.300 . 1 . . . . A 93 LEU CG . 36339 1 1093 . 1 . 1 93 93 LEU CD1 C 13 25.096 0.300 . 2 . . . . A 93 LEU CD1 . 36339 1 1094 . 1 . 1 93 93 LEU CD2 C 13 24.599 0.300 . 2 . . . . A 93 LEU CD2 . 36339 1 1095 . 1 . 1 93 93 LEU N N 15 120.266 0.300 . 1 . . . . A 93 LEU N . 36339 1 1096 . 1 . 1 94 94 ALA H H 1 8.051 0.030 . 1 . . . . A 94 ALA H . 36339 1 1097 . 1 . 1 94 94 ALA HA H 1 4.194 0.030 . 1 . . . . A 94 ALA HA . 36339 1 1098 . 1 . 1 94 94 ALA HB1 H 1 1.485 0.030 . 1 . . . . A 94 ALA HB1 . 36339 1 1099 . 1 . 1 94 94 ALA HB2 H 1 1.485 0.030 . 1 . . . . A 94 ALA HB2 . 36339 1 1100 . 1 . 1 94 94 ALA HB3 H 1 1.485 0.030 . 1 . . . . A 94 ALA HB3 . 36339 1 1101 . 1 . 1 94 94 ALA C C 13 179.891 0.300 . 1 . . . . A 94 ALA C . 36339 1 1102 . 1 . 1 94 94 ALA CA C 13 54.273 0.300 . 1 . . . . A 94 ALA CA . 36339 1 1103 . 1 . 1 94 94 ALA CB C 13 18.184 0.300 . 1 . . . . A 94 ALA CB . 36339 1 1104 . 1 . 1 94 94 ALA N N 15 122.020 0.300 . 1 . . . . A 94 ALA N . 36339 1 1105 . 1 . 1 95 95 GLU H H 1 7.969 0.030 . 1 . . . . A 95 GLU H . 36339 1 1106 . 1 . 1 95 95 GLU HA H 1 4.127 0.030 . 1 . . . . A 95 GLU HA . 36339 1 1107 . 1 . 1 95 95 GLU HB2 H 1 2.159 0.030 . 1 . . . . A 95 GLU HB2 . 36339 1 1108 . 1 . 1 95 95 GLU HB3 H 1 2.159 0.030 . 1 . . . . A 95 GLU HB3 . 36339 1 1109 . 1 . 1 95 95 GLU HG2 H 1 2.469 0.030 . 1 . . . . A 95 GLU HG2 . 36339 1 1110 . 1 . 1 95 95 GLU HG3 H 1 2.469 0.030 . 1 . . . . A 95 GLU HG3 . 36339 1 1111 . 1 . 1 95 95 GLU C C 13 179.112 0.300 . 1 . . . . A 95 GLU C . 36339 1 1112 . 1 . 1 95 95 GLU CA C 13 58.789 0.300 . 1 . . . . A 95 GLU CA . 36339 1 1113 . 1 . 1 95 95 GLU CB C 13 29.713 0.300 . 1 . . . . A 95 GLU CB . 36339 1 1114 . 1 . 1 95 95 GLU CG C 13 36.528 0.300 . 1 . . . . A 95 GLU CG . 36339 1 1115 . 1 . 1 95 95 GLU N N 15 119.218 0.300 . 1 . . . . A 95 GLU N . 36339 1 1116 . 1 . 1 96 96 GLU H H 1 8.239 0.030 . 1 . . . . A 96 GLU H . 36339 1 1117 . 1 . 1 96 96 GLU HA H 1 4.202 0.030 . 1 . . . . A 96 GLU HA . 36339 1 1118 . 1 . 1 96 96 GLU HB2 H 1 2.124 0.030 . 1 . . . . A 96 GLU HB2 . 36339 1 1119 . 1 . 1 96 96 GLU HB3 H 1 2.124 0.030 . 1 . . . . A 96 GLU HB3 . 36339 1 1120 . 1 . 1 96 96 GLU HG2 H 1 2.433 0.030 . 1 . . . . A 96 GLU HG2 . 36339 1 1121 . 1 . 1 96 96 GLU HG3 H 1 2.433 0.030 . 1 . . . . A 96 GLU HG3 . 36339 1 1122 . 1 . 1 96 96 GLU C C 13 179.059 0.300 . 1 . . . . A 96 GLU C . 36339 1 1123 . 1 . 1 96 96 GLU CA C 13 58.674 0.300 . 1 . . . . A 96 GLU CA . 36339 1 1124 . 1 . 1 96 96 GLU CB C 13 29.671 0.300 . 1 . . . . A 96 GLU CB . 36339 1 1125 . 1 . 1 96 96 GLU CG C 13 36.608 0.300 . 1 . . . . A 96 GLU CG . 36339 1 1126 . 1 . 1 96 96 GLU N N 15 120.400 0.300 . 1 . . . . A 96 GLU N . 36339 1 1127 . 1 . 1 97 97 GLY H H 1 8.396 0.030 . 1 . . . . A 97 GLY H . 36339 1 1128 . 1 . 1 97 97 GLY HA2 H 1 3.931 0.030 . 1 . . . . A 97 GLY HA2 . 36339 1 1129 . 1 . 1 97 97 GLY HA3 H 1 3.931 0.030 . 1 . . . . A 97 GLY HA3 . 36339 1 1130 . 1 . 1 97 97 GLY C C 13 176.037 0.300 . 1 . . . . A 97 GLY C . 36339 1 1131 . 1 . 1 97 97 GLY CA C 13 46.887 0.300 . 1 . . . . A 97 GLY CA . 36339 1 1132 . 1 . 1 97 97 GLY N N 15 108.245 0.300 . 1 . . . . A 97 GLY N . 36339 1 1133 . 1 . 1 98 98 ALA H H 1 8.181 0.030 . 1 . . . . A 98 ALA H . 36339 1 1134 . 1 . 1 98 98 ALA HA H 1 4.274 0.030 . 1 . . . . A 98 ALA HA . 36339 1 1135 . 1 . 1 98 98 ALA HB1 H 1 1.523 0.030 . 1 . . . . A 98 ALA HB1 . 36339 1 1136 . 1 . 1 98 98 ALA HB2 H 1 1.523 0.030 . 1 . . . . A 98 ALA HB2 . 36339 1 1137 . 1 . 1 98 98 ALA HB3 H 1 1.523 0.030 . 1 . . . . A 98 ALA HB3 . 36339 1 1138 . 1 . 1 98 98 ALA C C 13 179.950 0.300 . 1 . . . . A 98 ALA C . 36339 1 1139 . 1 . 1 98 98 ALA CA C 13 54.434 0.300 . 1 . . . . A 98 ALA CA . 36339 1 1140 . 1 . 1 98 98 ALA CB C 13 18.314 0.300 . 1 . . . . A 98 ALA CB . 36339 1 1141 . 1 . 1 98 98 ALA N N 15 124.464 0.300 . 1 . . . . A 98 ALA N . 36339 1 1142 . 1 . 1 99 99 ALA H H 1 8.051 0.030 . 1 . . . . A 99 ALA H . 36339 1 1143 . 1 . 1 99 99 ALA HA H 1 4.257 0.030 . 1 . . . . A 99 ALA HA . 36339 1 1144 . 1 . 1 99 99 ALA HB1 H 1 1.523 0.030 . 1 . . . . A 99 ALA HB1 . 36339 1 1145 . 1 . 1 99 99 ALA HB2 H 1 1.523 0.030 . 1 . . . . A 99 ALA HB2 . 36339 1 1146 . 1 . 1 99 99 ALA HB3 H 1 1.523 0.030 . 1 . . . . A 99 ALA HB3 . 36339 1 1147 . 1 . 1 99 99 ALA C C 13 180.265 0.300 . 1 . . . . A 99 ALA C . 36339 1 1148 . 1 . 1 99 99 ALA CA C 13 54.464 0.300 . 1 . . . . A 99 ALA CA . 36339 1 1149 . 1 . 1 99 99 ALA CB C 13 18.288 0.300 . 1 . . . . A 99 ALA CB . 36339 1 1150 . 1 . 1 99 99 ALA N N 15 122.026 0.300 . 1 . . . . A 99 ALA N . 36339 1 1151 . 1 . 1 100 100 LYS H H 1 8.116 0.030 . 1 . . . . A 100 LYS H . 36339 1 1152 . 1 . 1 100 100 LYS HA H 1 4.158 0.030 . 1 . . . . A 100 LYS HA . 36339 1 1153 . 1 . 1 100 100 LYS HB2 H 1 1.958 0.030 . 2 . . . . A 100 LYS HB2 . 36339 1 1154 . 1 . 1 100 100 LYS HB3 H 1 1.948 0.030 . 2 . . . . A 100 LYS HB3 . 36339 1 1155 . 1 . 1 100 100 LYS C C 13 178.938 0.300 . 1 . . . . A 100 LYS C . 36339 1 1156 . 1 . 1 100 100 LYS CA C 13 58.746 0.300 . 1 . . . . A 100 LYS CA . 36339 1 1157 . 1 . 1 100 100 LYS CB C 13 32.305 0.300 . 1 . . . . A 100 LYS CB . 36339 1 1158 . 1 . 1 100 100 LYS CG C 13 25.096 0.300 . 1 . . . . A 100 LYS CG . 36339 1 1159 . 1 . 1 100 100 LYS CE C 13 42.130 0.300 . 1 . . . . A 100 LYS CE . 36339 1 1160 . 1 . 1 100 100 LYS N N 15 120.229 0.300 . 1 . . . . A 100 LYS N . 36339 1 1161 . 1 . 1 101 101 GLU H H 1 8.055 0.030 . 1 . . . . A 101 GLU H . 36339 1 1162 . 1 . 1 101 101 GLU HA H 1 4.310 0.030 . 1 . . . . A 101 GLU HA . 36339 1 1163 . 1 . 1 101 101 GLU HB2 H 1 2.119 0.030 . 1 . . . . A 101 GLU HB2 . 36339 1 1164 . 1 . 1 101 101 GLU HB3 H 1 2.119 0.030 . 1 . . . . A 101 GLU HB3 . 36339 1 1165 . 1 . 1 101 101 GLU HG2 H 1 2.352 0.030 . 1 . . . . A 101 GLU HG2 . 36339 1 1166 . 1 . 1 101 101 GLU HG3 H 1 2.352 0.030 . 1 . . . . A 101 GLU HG3 . 36339 1 1167 . 1 . 1 101 101 GLU C C 13 178.098 0.300 . 1 . . . . A 101 GLU C . 36339 1 1168 . 1 . 1 101 101 GLU CA C 13 58.185 0.300 . 1 . . . . A 101 GLU CA . 36339 1 1169 . 1 . 1 101 101 GLU CB C 13 29.387 0.300 . 1 . . . . A 101 GLU CB . 36339 1 1170 . 1 . 1 101 101 GLU CG C 13 35.664 0.300 . 1 . . . . A 101 GLU CG . 36339 1 1171 . 1 . 1 101 101 GLU N N 15 121.091 0.300 . 1 . . . . A 101 GLU N . 36339 1 1172 . 1 . 1 102 102 ALA H H 1 8.189 0.030 . 1 . . . . A 102 ALA H . 36339 1 1173 . 1 . 1 102 102 ALA HA H 1 4.194 0.030 . 1 . . . . A 102 ALA HA . 36339 1 1174 . 1 . 1 102 102 ALA HB1 H 1 1.520 0.030 . 1 . . . . A 102 ALA HB1 . 36339 1 1175 . 1 . 1 102 102 ALA HB2 H 1 1.520 0.030 . 1 . . . . A 102 ALA HB2 . 36339 1 1176 . 1 . 1 102 102 ALA HB3 H 1 1.520 0.030 . 1 . . . . A 102 ALA HB3 . 36339 1 1177 . 1 . 1 102 102 ALA C C 13 180.201 0.300 . 1 . . . . A 102 ALA C . 36339 1 1178 . 1 . 1 102 102 ALA CA C 13 54.469 0.300 . 1 . . . . A 102 ALA CA . 36339 1 1179 . 1 . 1 102 102 ALA CB C 13 18.230 0.300 . 1 . . . . A 102 ALA CB . 36339 1 1180 . 1 . 1 102 102 ALA N N 15 122.769 0.300 . 1 . . . . A 102 ALA N . 36339 1 1181 . 1 . 1 103 103 ALA H H 1 7.979 0.030 . 1 . . . . A 103 ALA H . 36339 1 1182 . 1 . 1 103 103 ALA HA H 1 4.233 0.030 . 1 . . . . A 103 ALA HA . 36339 1 1183 . 1 . 1 103 103 ALA HB1 H 1 1.506 0.030 . 1 . . . . A 103 ALA HB1 . 36339 1 1184 . 1 . 1 103 103 ALA HB2 H 1 1.506 0.030 . 1 . . . . A 103 ALA HB2 . 36339 1 1185 . 1 . 1 103 103 ALA HB3 H 1 1.506 0.030 . 1 . . . . A 103 ALA HB3 . 36339 1 1186 . 1 . 1 103 103 ALA C C 13 179.805 0.300 . 1 . . . . A 103 ALA C . 36339 1 1187 . 1 . 1 103 103 ALA CA C 13 54.448 0.300 . 1 . . . . A 103 ALA CA . 36339 1 1188 . 1 . 1 103 103 ALA CB C 13 18.194 0.300 . 1 . . . . A 103 ALA CB . 36339 1 1189 . 1 . 1 103 103 ALA N N 15 121.295 0.300 . 1 . . . . A 103 ALA N . 36339 1 1190 . 1 . 1 104 104 ARG H H 1 8.028 0.030 . 1 . . . . A 104 ARG H . 36339 1 1191 . 1 . 1 104 104 ARG HA H 1 4.150 0.030 . 1 . . . . A 104 ARG HA . 36339 1 1192 . 1 . 1 104 104 ARG HB2 H 1 1.956 0.030 . 1 . . . . A 104 ARG HB2 . 36339 1 1193 . 1 . 1 104 104 ARG HB3 H 1 1.956 0.030 . 1 . . . . A 104 ARG HB3 . 36339 1 1194 . 1 . 1 104 104 ARG HG2 H 1 1.769 0.030 . 1 . . . . A 104 ARG HG2 . 36339 1 1195 . 1 . 1 104 104 ARG HG3 H 1 1.769 0.030 . 1 . . . . A 104 ARG HG3 . 36339 1 1196 . 1 . 1 104 104 ARG HD2 H 1 3.189 0.030 . 1 . . . . A 104 ARG HD2 . 36339 1 1197 . 1 . 1 104 104 ARG HD3 H 1 3.189 0.030 . 1 . . . . A 104 ARG HD3 . 36339 1 1198 . 1 . 1 104 104 ARG C C 13 178.732 0.300 . 1 . . . . A 104 ARG C . 36339 1 1199 . 1 . 1 104 104 ARG CA C 13 58.798 0.300 . 1 . . . . A 104 ARG CA . 36339 1 1200 . 1 . 1 104 104 ARG CB C 13 30.187 0.300 . 1 . . . . A 104 ARG CB . 36339 1 1201 . 1 . 1 104 104 ARG CG C 13 27.146 0.300 . 1 . . . . A 104 ARG CG . 36339 1 1202 . 1 . 1 104 104 ARG CD C 13 43.413 0.300 . 1 . . . . A 104 ARG CD . 36339 1 1203 . 1 . 1 104 104 ARG N N 15 120.439 0.300 . 1 . . . . A 104 ARG N . 36339 1 1204 . 1 . 1 105 105 GLN H H 1 8.303 0.030 . 1 . . . . A 105 GLN H . 36339 1 1205 . 1 . 1 105 105 GLN HA H 1 4.104 0.030 . 1 . . . . A 105 GLN HA . 36339 1 1206 . 1 . 1 105 105 GLN HB2 H 1 2.122 0.030 . 1 . . . . A 105 GLN HB2 . 36339 1 1207 . 1 . 1 105 105 GLN HB3 H 1 2.122 0.030 . 1 . . . . A 105 GLN HB3 . 36339 1 1208 . 1 . 1 105 105 GLN HG2 H 1 2.412 0.030 . 1 . . . . A 105 GLN HG2 . 36339 1 1209 . 1 . 1 105 105 GLN HG3 H 1 2.412 0.030 . 1 . . . . A 105 GLN HG3 . 36339 1 1210 . 1 . 1 105 105 GLN HE21 H 1 6.836 0.030 . 2 . . . . A 105 GLN HE21 . 36339 1 1211 . 1 . 1 105 105 GLN HE22 H 1 7.355 0.030 . 2 . . . . A 105 GLN HE22 . 36339 1 1212 . 1 . 1 105 105 GLN C C 13 177.675 0.300 . 1 . . . . A 105 GLN C . 36339 1 1213 . 1 . 1 105 105 GLN CA C 13 58.134 0.300 . 1 . . . . A 105 GLN CA . 36339 1 1214 . 1 . 1 105 105 GLN CB C 13 28.378 0.300 . 1 . . . . A 105 GLN CB . 36339 1 1215 . 1 . 1 105 105 GLN CG C 13 34.038 0.300 . 1 . . . . A 105 GLN CG . 36339 1 1216 . 1 . 1 105 105 GLN N N 15 119.395 0.300 . 1 . . . . A 105 GLN N . 36339 1 1217 . 1 . 1 105 105 GLN NE2 N 15 111.548 0.300 . 1 . . . . A 105 GLN NE2 . 36339 1 1218 . 1 . 1 106 106 ALA H H 1 8.040 0.030 . 1 . . . . A 106 ALA H . 36339 1 1219 . 1 . 1 106 106 ALA HA H 1 4.191 0.030 . 1 . . . . A 106 ALA HA . 36339 1 1220 . 1 . 1 106 106 ALA HB1 H 1 1.506 0.030 . 1 . . . . A 106 ALA HB1 . 36339 1 1221 . 1 . 1 106 106 ALA HB2 H 1 1.506 0.030 . 1 . . . . A 106 ALA HB2 . 36339 1 1222 . 1 . 1 106 106 ALA HB3 H 1 1.506 0.030 . 1 . . . . A 106 ALA HB3 . 36339 1 1223 . 1 . 1 106 106 ALA C C 13 180.213 0.300 . 1 . . . . A 106 ALA C . 36339 1 1224 . 1 . 1 106 106 ALA CA C 13 54.489 0.300 . 1 . . . . A 106 ALA CA . 36339 1 1225 . 1 . 1 106 106 ALA CB C 13 18.236 0.300 . 1 . . . . A 106 ALA CB . 36339 1 1226 . 1 . 1 106 106 ALA N N 15 122.006 0.300 . 1 . . . . A 106 ALA N . 36339 1 1227 . 1 . 1 107 107 GLU H H 1 8.005 0.030 . 1 . . . . A 107 GLU H . 36339 1 1228 . 1 . 1 107 107 GLU HA H 1 4.098 0.030 . 1 . . . . A 107 GLU HA . 36339 1 1229 . 1 . 1 107 107 GLU HB2 H 1 2.102 0.030 . 1 . . . . A 107 GLU HB2 . 36339 1 1230 . 1 . 1 107 107 GLU HB3 H 1 2.102 0.030 . 1 . . . . A 107 GLU HB3 . 36339 1 1231 . 1 . 1 107 107 GLU HG2 H 1 2.318 0.030 . 1 . . . . A 107 GLU HG2 . 36339 1 1232 . 1 . 1 107 107 GLU HG3 H 1 2.318 0.030 . 1 . . . . A 107 GLU HG3 . 36339 1 1233 . 1 . 1 107 107 GLU C C 13 178.740 0.300 . 1 . . . . A 107 GLU C . 36339 1 1234 . 1 . 1 107 107 GLU CA C 13 58.586 0.300 . 1 . . . . A 107 GLU CA . 36339 1 1235 . 1 . 1 107 107 GLU CB C 13 29.401 0.300 . 1 . . . . A 107 GLU CB . 36339 1 1236 . 1 . 1 107 107 GLU CG C 13 36.240 0.300 . 1 . . . . A 107 GLU CG . 36339 1 1237 . 1 . 1 107 107 GLU N N 15 120.465 0.300 . 1 . . . . A 107 GLU N . 36339 1 1238 . 1 . 1 108 108 GLU H H 1 7.914 0.030 . 1 . . . . A 108 GLU H . 36339 1 1239 . 1 . 1 108 108 GLU HA H 1 4.173 0.030 . 1 . . . . A 108 GLU HA . 36339 1 1240 . 1 . 1 108 108 GLU HB2 H 1 1.474 0.030 . 1 . . . . A 108 GLU HB2 . 36339 1 1241 . 1 . 1 108 108 GLU HB3 H 1 1.474 0.030 . 1 . . . . A 108 GLU HB3 . 36339 1 1242 . 1 . 1 108 108 GLU C C 13 178.461 0.300 . 1 . . . . A 108 GLU C . 36339 1 1243 . 1 . 1 108 108 GLU CA C 13 58.239 0.300 . 1 . . . . A 108 GLU CA . 36339 1 1244 . 1 . 1 108 108 GLU CB C 13 29.554 0.300 . 1 . . . . A 108 GLU CB . 36339 1 1245 . 1 . 1 108 108 GLU CG C 13 36.441 0.300 . 1 . . . . A 108 GLU CG . 36339 1 1246 . 1 . 1 108 108 GLU N N 15 119.088 0.300 . 1 . . . . A 108 GLU N . 36339 1 1247 . 1 . 1 109 109 VAL H H 1 7.915 0.030 . 1 . . . . A 109 VAL H . 36339 1 1248 . 1 . 1 109 109 VAL HA H 1 3.800 0.030 . 1 . . . . A 109 VAL HA . 36339 1 1249 . 1 . 1 109 109 VAL HB H 1 2.143 0.030 . 1 . . . . A 109 VAL HB . 36339 1 1250 . 1 . 1 109 109 VAL HG11 H 1 0.939 0.030 . 2 . . . . A 109 VAL HG11 . 36339 1 1251 . 1 . 1 109 109 VAL HG12 H 1 0.939 0.030 . 2 . . . . A 109 VAL HG12 . 36339 1 1252 . 1 . 1 109 109 VAL HG13 H 1 0.939 0.030 . 2 . . . . A 109 VAL HG13 . 36339 1 1253 . 1 . 1 109 109 VAL HG21 H 1 1.040 0.030 . 2 . . . . A 109 VAL HG21 . 36339 1 1254 . 1 . 1 109 109 VAL HG22 H 1 1.040 0.030 . 2 . . . . A 109 VAL HG22 . 36339 1 1255 . 1 . 1 109 109 VAL HG23 H 1 1.040 0.030 . 2 . . . . A 109 VAL HG23 . 36339 1 1256 . 1 . 1 109 109 VAL C C 13 177.944 0.300 . 1 . . . . A 109 VAL C . 36339 1 1257 . 1 . 1 109 109 VAL CA C 13 65.029 0.300 . 1 . . . . A 109 VAL CA . 36339 1 1258 . 1 . 1 109 109 VAL CB C 13 32.018 0.300 . 1 . . . . A 109 VAL CB . 36339 1 1259 . 1 . 1 109 109 VAL CG1 C 13 21.218 0.300 . 2 . . . . A 109 VAL CG1 . 36339 1 1260 . 1 . 1 109 109 VAL CG2 C 13 21.977 0.300 . 2 . . . . A 109 VAL CG2 . 36339 1 1261 . 1 . 1 109 109 VAL N N 15 119.111 0.300 . 1 . . . . A 109 VAL N . 36339 1 1262 . 1 . 1 110 110 ARG H H 1 7.934 0.030 . 1 . . . . A 110 ARG H . 36339 1 1263 . 1 . 1 110 110 ARG HA H 1 4.164 0.030 . 1 . . . . A 110 ARG HA . 36339 1 1264 . 1 . 1 110 110 ARG HB2 H 1 1.892 0.030 . 1 . . . . A 110 ARG HB2 . 36339 1 1265 . 1 . 1 110 110 ARG HB3 H 1 1.892 0.030 . 1 . . . . A 110 ARG HB3 . 36339 1 1266 . 1 . 1 110 110 ARG HG2 H 1 1.601 0.030 . 1 . . . . A 110 ARG HG2 . 36339 1 1267 . 1 . 1 110 110 ARG HG3 H 1 1.601 0.030 . 1 . . . . A 110 ARG HG3 . 36339 1 1268 . 1 . 1 110 110 ARG C C 13 177.619 0.300 . 1 . . . . A 110 ARG C . 36339 1 1269 . 1 . 1 110 110 ARG CA C 13 58.162 0.300 . 1 . . . . A 110 ARG CA . 36339 1 1270 . 1 . 1 110 110 ARG CB C 13 30.335 0.300 . 1 . . . . A 110 ARG CB . 36339 1 1271 . 1 . 1 110 110 ARG CG C 13 27.421 0.300 . 1 . . . . A 110 ARG CG . 36339 1 1272 . 1 . 1 110 110 ARG CD C 13 43.431 0.300 . 1 . . . . A 110 ARG CD . 36339 1 1273 . 1 . 1 110 110 ARG N N 15 121.707 0.300 . 1 . . . . A 110 ARG N . 36339 1 1274 . 1 . 1 111 111 LYS H H 1 8.019 0.030 . 1 . . . . A 111 LYS H . 36339 1 1275 . 1 . 1 111 111 LYS HA H 1 4.154 0.030 . 1 . . . . A 111 LYS HA . 36339 1 1276 . 1 . 1 111 111 LYS HB2 H 1 1.871 0.030 . 1 . . . . A 111 LYS HB2 . 36339 1 1277 . 1 . 1 111 111 LYS HB3 H 1 1.871 0.030 . 1 . . . . A 111 LYS HB3 . 36339 1 1278 . 1 . 1 111 111 LYS HG2 H 1 1.432 0.030 . 1 . . . . A 111 LYS HG2 . 36339 1 1279 . 1 . 1 111 111 LYS HG3 H 1 1.432 0.030 . 1 . . . . A 111 LYS HG3 . 36339 1 1280 . 1 . 1 111 111 LYS CA C 13 58.080 0.300 . 1 . . . . A 111 LYS CA . 36339 1 1281 . 1 . 1 111 111 LYS CB C 13 32.562 0.300 . 1 . . . . A 111 LYS CB . 36339 1 1282 . 1 . 1 111 111 LYS CG C 13 25.193 0.300 . 1 . . . . A 111 LYS CG . 36339 1 1283 . 1 . 1 111 111 LYS CE C 13 42.138 0.300 . 1 . . . . A 111 LYS CE . 36339 1 1284 . 1 . 1 111 111 LYS N N 15 120.122 0.300 . 1 . . . . A 111 LYS N . 36339 1 1285 . 1 . 1 112 112 ARG H H 1 8.022 0.030 . 1 . . . . A 112 ARG H . 36339 1 1286 . 1 . 1 112 112 ARG HA H 1 4.243 0.030 . 1 . . . . A 112 ARG HA . 36339 1 1287 . 1 . 1 112 112 ARG HB2 H 1 1.884 0.030 . 1 . . . . A 112 ARG HB2 . 36339 1 1288 . 1 . 1 112 112 ARG HB3 H 1 1.884 0.030 . 1 . . . . A 112 ARG HB3 . 36339 1 1289 . 1 . 1 112 112 ARG HG2 H 1 1.689 0.030 . 1 . . . . A 112 ARG HG2 . 36339 1 1290 . 1 . 1 112 112 ARG HG3 H 1 1.689 0.030 . 1 . . . . A 112 ARG HG3 . 36339 1 1291 . 1 . 1 112 112 ARG HD2 H 1 3.240 0.030 . 1 . . . . A 112 ARG HD2 . 36339 1 1292 . 1 . 1 112 112 ARG HD3 H 1 3.240 0.030 . 1 . . . . A 112 ARG HD3 . 36339 1 1293 . 1 . 1 112 112 ARG C C 13 177.408 0.300 . 1 . . . . A 112 ARG C . 36339 1 1294 . 1 . 1 112 112 ARG CA C 13 58.736 0.300 . 1 . . . . A 112 ARG CA . 36339 1 1295 . 1 . 1 112 112 ARG CB C 13 30.224 0.300 . 1 . . . . A 112 ARG CB . 36339 1 1296 . 1 . 1 112 112 ARG CG C 13 27.466 0.300 . 1 . . . . A 112 ARG CG . 36339 1 1297 . 1 . 1 112 112 ARG CD C 13 43.295 0.300 . 1 . . . . A 112 ARG CD . 36339 1 1298 . 1 . 1 112 112 ARG N N 15 120.160 0.300 . 1 . . . . A 112 ARG N . 36339 1 1299 . 1 . 1 113 113 GLY H H 1 8.177 0.030 . 1 . . . . A 113 GLY H . 36339 1 1300 . 1 . 1 113 113 GLY HA2 H 1 3.989 0.030 . 1 . . . . A 113 GLY HA2 . 36339 1 1301 . 1 . 1 113 113 GLY HA3 H 1 3.989 0.030 . 1 . . . . A 113 GLY HA3 . 36339 1 1302 . 1 . 1 113 113 GLY C C 13 174.369 0.300 . 1 . . . . A 113 GLY C . 36339 1 1303 . 1 . 1 113 113 GLY CA C 13 45.535 0.300 . 1 . . . . A 113 GLY CA . 36339 1 1304 . 1 . 1 113 113 GLY N N 15 108.710 0.300 . 1 . . . . A 113 GLY N . 36339 1 1305 . 1 . 1 114 114 SER H H 1 8.061 0.030 . 1 . . . . A 114 SER H . 36339 1 1306 . 1 . 1 114 114 SER HA H 1 4.444 0.030 . 1 . . . . A 114 SER HA . 36339 1 1307 . 1 . 1 114 114 SER HB2 H 1 3.885 0.030 . 1 . . . . A 114 SER HB2 . 36339 1 1308 . 1 . 1 114 114 SER HB3 H 1 3.885 0.030 . 1 . . . . A 114 SER HB3 . 36339 1 1309 . 1 . 1 114 114 SER C C 13 174.713 0.300 . 1 . . . . A 114 SER C . 36339 1 1310 . 1 . 1 114 114 SER CA C 13 58.555 0.300 . 1 . . . . A 114 SER CA . 36339 1 1311 . 1 . 1 114 114 SER CB C 13 63.888 0.300 . 1 . . . . A 114 SER CB . 36339 1 1312 . 1 . 1 114 114 SER N N 15 115.330 0.300 . 1 . . . . A 114 SER N . 36339 1 1313 . 1 . 1 115 115 LEU H H 1 8.206 0.030 . 1 . . . . A 115 LEU H . 36339 1 1314 . 1 . 1 115 115 LEU HA H 1 4.317 0.030 . 1 . . . . A 115 LEU HA . 36339 1 1315 . 1 . 1 115 115 LEU HB2 H 1 1.544 0.030 . 2 . . . . A 115 LEU HB2 . 36339 1 1316 . 1 . 1 115 115 LEU HB3 H 1 1.613 0.030 . 2 . . . . A 115 LEU HB3 . 36339 1 1317 . 1 . 1 115 115 LEU HG H 1 1.617 0.030 . 1 . . . . A 115 LEU HG . 36339 1 1318 . 1 . 1 115 115 LEU HD11 H 1 0.833 0.030 . 2 . . . . A 115 LEU HD11 . 36339 1 1319 . 1 . 1 115 115 LEU HD12 H 1 0.833 0.030 . 2 . . . . A 115 LEU HD12 . 36339 1 1320 . 1 . 1 115 115 LEU HD13 H 1 0.833 0.030 . 2 . . . . A 115 LEU HD13 . 36339 1 1321 . 1 . 1 115 115 LEU HD21 H 1 0.908 0.030 . 2 . . . . A 115 LEU HD21 . 36339 1 1322 . 1 . 1 115 115 LEU HD22 H 1 0.908 0.030 . 2 . . . . A 115 LEU HD22 . 36339 1 1323 . 1 . 1 115 115 LEU HD23 H 1 0.908 0.030 . 2 . . . . A 115 LEU HD23 . 36339 1 1324 . 1 . 1 115 115 LEU C C 13 177.464 0.300 . 1 . . . . A 115 LEU C . 36339 1 1325 . 1 . 1 115 115 LEU CA C 13 55.473 0.300 . 1 . . . . A 115 LEU CA . 36339 1 1326 . 1 . 1 115 115 LEU CB C 13 42.242 0.300 . 1 . . . . A 115 LEU CB . 36339 1 1327 . 1 . 1 115 115 LEU CG C 13 26.966 0.300 . 1 . . . . A 115 LEU CG . 36339 1 1328 . 1 . 1 115 115 LEU CD1 C 13 23.378 0.300 . 2 . . . . A 115 LEU CD1 . 36339 1 1329 . 1 . 1 115 115 LEU CD2 C 13 25.033 0.300 . 2 . . . . A 115 LEU CD2 . 36339 1 1330 . 1 . 1 115 115 LEU N N 15 123.482 0.300 . 1 . . . . A 115 LEU N . 36339 1 1331 . 1 . 1 116 116 GLU H H 1 8.224 0.030 . 1 . . . . A 116 GLU H . 36339 1 1332 . 1 . 1 116 116 GLU HA H 1 4.161 0.030 . 1 . . . . A 116 GLU HA . 36339 1 1333 . 1 . 1 116 116 GLU HB2 H 1 1.893 0.030 . 1 . . . . A 116 GLU HB2 . 36339 1 1334 . 1 . 1 116 116 GLU HB3 H 1 1.893 0.030 . 1 . . . . A 116 GLU HB3 . 36339 1 1335 . 1 . 1 116 116 GLU HG2 H 1 2.133 0.030 . 1 . . . . A 116 GLU HG2 . 36339 1 1336 . 1 . 1 116 116 GLU HG3 H 1 2.133 0.030 . 1 . . . . A 116 GLU HG3 . 36339 1 1337 . 1 . 1 116 116 GLU C C 13 176.229 0.300 . 1 . . . . A 116 GLU C . 36339 1 1338 . 1 . 1 116 116 GLU CA C 13 56.878 0.300 . 1 . . . . A 116 GLU CA . 36339 1 1339 . 1 . 1 116 116 GLU CB C 13 30.324 0.300 . 1 . . . . A 116 GLU CB . 36339 1 1340 . 1 . 1 116 116 GLU CG C 13 36.213 0.300 . 1 . . . . A 116 GLU CG . 36339 1 1341 . 1 . 1 116 116 GLU N N 15 120.339 0.300 . 1 . . . . A 116 GLU N . 36339 1 stop_ save_