data_36329 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36329 _Entry.Title ; Solution NMR structure of NF7; de novo designed protein with a novel fold ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-23 _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' 36329 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. . . . 36329 2 T. Sugiki T. . . . 36329 3 T. Fujiwara T. . . . 36329 4 S. Minami S. . . . 36329 5 R. Koga R. . . . 36329 6 G. Chikenji G. . . . 36329 7 N. Koga N. . . . 36329 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 36329 'de novo designed protein' . 36329 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36329 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 518 36329 '15N chemical shifts' 124 36329 '1H chemical shifts' 844 36329 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-12-18 2020-03-23 update BMRB 'update entry citation' 36329 1 . . 2021-03-29 2020-03-23 original author 'original release' 36329 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 36327 'Solution NMR structure of NF1; de novo designed protein with a novel fold' 36329 BMRB 36328 'Solution NMR structure of NF2; de novo designed protein with a novel fold' 36329 BMRB 36330 'Solution NMR structure of NF5; de novo designed protein with a novel fold' 36329 BMRB 36331 'Solution NMR structure of NF6; de novo designed protein with a novel fold' 36329 BMRB 36332 'Solution NMR structure of NF4; de novo designed protein with a novel fold' 36329 BMRB 36333 'Solution NMR structure of NF8 (knot fold); de novo designed protein with a novel fold' 36329 BMRB 36334 'Solution NMR structure of NF3; de novo designed protein with a novel fold' 36329 PDB 7BPN . 36329 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36329 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37400653 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Exploration of novel alpha-beta protein folds through de novo design ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 30 _Citation.Journal_issue 8 _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 1132 _Citation.Page_last 1140 _Citation.Year 2023 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. MInami S. . . . 36329 1 2 N. Kobayashi N. . . . 36329 1 3 T. Sugiki T. . . . 36329 1 4 T. Nagashima T. . . . 36329 1 5 T. Fujiwara T. . . . 36329 1 6 R. Koga R. . . . 36329 1 7 G. Chikenji G. . . . 36329 1 8 N. Koga N. . . . 36329 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36329 _Assembly.ID 1 _Assembly.Name NF7 _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 . . . . . . 36329 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36329 _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 ; GQIQYFNVDENPEQVRKLIE QAGLDPDELREAEVIIIIIS RTPEQLEKLSRQVKELGADR LLEFNVDENPEQASKLAKTA GISEKQLREADYIILILVRD EKKAKKFADSLRKKGSLEHH HHHH ; _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 14352.258 _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 . 36329 1 2 2 GLN . 36329 1 3 3 ILE . 36329 1 4 4 GLN . 36329 1 5 5 TYR . 36329 1 6 6 PHE . 36329 1 7 7 ASN . 36329 1 8 8 VAL . 36329 1 9 9 ASP . 36329 1 10 10 GLU . 36329 1 11 11 ASN . 36329 1 12 12 PRO . 36329 1 13 13 GLU . 36329 1 14 14 GLN . 36329 1 15 15 VAL . 36329 1 16 16 ARG . 36329 1 17 17 LYS . 36329 1 18 18 LEU . 36329 1 19 19 ILE . 36329 1 20 20 GLU . 36329 1 21 21 GLN . 36329 1 22 22 ALA . 36329 1 23 23 GLY . 36329 1 24 24 LEU . 36329 1 25 25 ASP . 36329 1 26 26 PRO . 36329 1 27 27 ASP . 36329 1 28 28 GLU . 36329 1 29 29 LEU . 36329 1 30 30 ARG . 36329 1 31 31 GLU . 36329 1 32 32 ALA . 36329 1 33 33 GLU . 36329 1 34 34 VAL . 36329 1 35 35 ILE . 36329 1 36 36 ILE . 36329 1 37 37 ILE . 36329 1 38 38 ILE . 36329 1 39 39 ILE . 36329 1 40 40 SER . 36329 1 41 41 ARG . 36329 1 42 42 THR . 36329 1 43 43 PRO . 36329 1 44 44 GLU . 36329 1 45 45 GLN . 36329 1 46 46 LEU . 36329 1 47 47 GLU . 36329 1 48 48 LYS . 36329 1 49 49 LEU . 36329 1 50 50 SER . 36329 1 51 51 ARG . 36329 1 52 52 GLN . 36329 1 53 53 VAL . 36329 1 54 54 LYS . 36329 1 55 55 GLU . 36329 1 56 56 LEU . 36329 1 57 57 GLY . 36329 1 58 58 ALA . 36329 1 59 59 ASP . 36329 1 60 60 ARG . 36329 1 61 61 LEU . 36329 1 62 62 LEU . 36329 1 63 63 GLU . 36329 1 64 64 PHE . 36329 1 65 65 ASN . 36329 1 66 66 VAL . 36329 1 67 67 ASP . 36329 1 68 68 GLU . 36329 1 69 69 ASN . 36329 1 70 70 PRO . 36329 1 71 71 GLU . 36329 1 72 72 GLN . 36329 1 73 73 ALA . 36329 1 74 74 SER . 36329 1 75 75 LYS . 36329 1 76 76 LEU . 36329 1 77 77 ALA . 36329 1 78 78 LYS . 36329 1 79 79 THR . 36329 1 80 80 ALA . 36329 1 81 81 GLY . 36329 1 82 82 ILE . 36329 1 83 83 SER . 36329 1 84 84 GLU . 36329 1 85 85 LYS . 36329 1 86 86 GLN . 36329 1 87 87 LEU . 36329 1 88 88 ARG . 36329 1 89 89 GLU . 36329 1 90 90 ALA . 36329 1 91 91 ASP . 36329 1 92 92 TYR . 36329 1 93 93 ILE . 36329 1 94 94 ILE . 36329 1 95 95 LEU . 36329 1 96 96 ILE . 36329 1 97 97 LEU . 36329 1 98 98 VAL . 36329 1 99 99 ARG . 36329 1 100 100 ASP . 36329 1 101 101 GLU . 36329 1 102 102 LYS . 36329 1 103 103 LYS . 36329 1 104 104 ALA . 36329 1 105 105 LYS . 36329 1 106 106 LYS . 36329 1 107 107 PHE . 36329 1 108 108 ALA . 36329 1 109 109 ASP . 36329 1 110 110 SER . 36329 1 111 111 LEU . 36329 1 112 112 ARG . 36329 1 113 113 LYS . 36329 1 114 114 LYS . 36329 1 115 115 GLY . 36329 1 116 116 SER . 36329 1 117 117 LEU . 36329 1 118 118 GLU . 36329 1 119 119 HIS . 36329 1 120 120 HIS . 36329 1 121 121 HIS . 36329 1 122 122 HIS . 36329 1 123 123 HIS . 36329 1 124 124 HIS . 36329 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 36329 1 . GLN 2 2 36329 1 . ILE 3 3 36329 1 . GLN 4 4 36329 1 . TYR 5 5 36329 1 . PHE 6 6 36329 1 . ASN 7 7 36329 1 . VAL 8 8 36329 1 . ASP 9 9 36329 1 . GLU 10 10 36329 1 . ASN 11 11 36329 1 . PRO 12 12 36329 1 . GLU 13 13 36329 1 . GLN 14 14 36329 1 . VAL 15 15 36329 1 . ARG 16 16 36329 1 . LYS 17 17 36329 1 . LEU 18 18 36329 1 . ILE 19 19 36329 1 . GLU 20 20 36329 1 . GLN 21 21 36329 1 . ALA 22 22 36329 1 . GLY 23 23 36329 1 . LEU 24 24 36329 1 . ASP 25 25 36329 1 . PRO 26 26 36329 1 . ASP 27 27 36329 1 . GLU 28 28 36329 1 . LEU 29 29 36329 1 . ARG 30 30 36329 1 . GLU 31 31 36329 1 . ALA 32 32 36329 1 . GLU 33 33 36329 1 . VAL 34 34 36329 1 . ILE 35 35 36329 1 . ILE 36 36 36329 1 . ILE 37 37 36329 1 . ILE 38 38 36329 1 . ILE 39 39 36329 1 . SER 40 40 36329 1 . ARG 41 41 36329 1 . THR 42 42 36329 1 . PRO 43 43 36329 1 . GLU 44 44 36329 1 . GLN 45 45 36329 1 . LEU 46 46 36329 1 . GLU 47 47 36329 1 . LYS 48 48 36329 1 . LEU 49 49 36329 1 . SER 50 50 36329 1 . ARG 51 51 36329 1 . GLN 52 52 36329 1 . VAL 53 53 36329 1 . LYS 54 54 36329 1 . GLU 55 55 36329 1 . LEU 56 56 36329 1 . GLY 57 57 36329 1 . ALA 58 58 36329 1 . ASP 59 59 36329 1 . ARG 60 60 36329 1 . LEU 61 61 36329 1 . LEU 62 62 36329 1 . GLU 63 63 36329 1 . PHE 64 64 36329 1 . ASN 65 65 36329 1 . VAL 66 66 36329 1 . ASP 67 67 36329 1 . GLU 68 68 36329 1 . ASN 69 69 36329 1 . PRO 70 70 36329 1 . GLU 71 71 36329 1 . GLN 72 72 36329 1 . ALA 73 73 36329 1 . SER 74 74 36329 1 . LYS 75 75 36329 1 . LEU 76 76 36329 1 . ALA 77 77 36329 1 . LYS 78 78 36329 1 . THR 79 79 36329 1 . ALA 80 80 36329 1 . GLY 81 81 36329 1 . ILE 82 82 36329 1 . SER 83 83 36329 1 . GLU 84 84 36329 1 . LYS 85 85 36329 1 . GLN 86 86 36329 1 . LEU 87 87 36329 1 . ARG 88 88 36329 1 . GLU 89 89 36329 1 . ALA 90 90 36329 1 . ASP 91 91 36329 1 . TYR 92 92 36329 1 . ILE 93 93 36329 1 . ILE 94 94 36329 1 . LEU 95 95 36329 1 . ILE 96 96 36329 1 . LEU 97 97 36329 1 . VAL 98 98 36329 1 . ARG 99 99 36329 1 . ASP 100 100 36329 1 . GLU 101 101 36329 1 . LYS 102 102 36329 1 . LYS 103 103 36329 1 . ALA 104 104 36329 1 . LYS 105 105 36329 1 . LYS 106 106 36329 1 . PHE 107 107 36329 1 . ALA 108 108 36329 1 . ASP 109 109 36329 1 . SER 110 110 36329 1 . LEU 111 111 36329 1 . ARG 112 112 36329 1 . LYS 113 113 36329 1 . LYS 114 114 36329 1 . GLY 115 115 36329 1 . SER 116 116 36329 1 . LEU 117 117 36329 1 . GLU 118 118 36329 1 . HIS 119 119 36329 1 . HIS 120 120 36329 1 . HIS 121 121 36329 1 . HIS 122 122 36329 1 . HIS 123 123 36329 1 . HIS 124 124 36329 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 36329 _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 . . . . . . . . . . . . . 36329 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 36329 _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 . . . . . . . . . . 36329 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36329 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.9 mM [U-100% 13C; U-100% 15N] NF7, 4.3 mM sodium phosphate, 5.7 mM potassium phosphate, 50 mM sodium chloride, 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 NF7 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.9 . . mM . . . . 36329 1 2 'potassium phosphate' 'natural abundance' . . . . . . 5.7 . . mM . . . . 36329 1 3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 36329 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 4.3 . . mM . . . . 36329 1 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36329 1 6 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36329 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36329 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.2 mM [U-100% 13C; U-100% 15N] NF7, 4.3 mM sodium phosphate, 5.7 mM potassium phosphate, 50 mM sodium chloride, 4.7 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 NF7 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.2 . . mM . . . . 36329 2 2 'Pf1 phage' 'natural abundance' . . . . . . 4.7 . . mg/mL . . . . 36329 2 3 'potassium phosphate' 'natural abundance' . . . . . . 5.7 . . mM . . . . 36329 2 4 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 36329 2 5 'sodium phosphate' 'natural abundance' . . . . . buffer 4.3 . . mM . . . . 36329 2 6 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36329 2 7 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36329 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 36329 _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' 60 . mM 36329 1 pH 6.8 . pH 36329 1 pressure 1 . atm 36329 1 temperature 303 . K 36329 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36329 _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' . . 36329 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36329 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36329 _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' . . 36329 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36329 2 'structure calculation' . 36329 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36329 _Software.ID 3 _Software.Type . _Software.Name MAGRO _Software.Version 2.01.38 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 36329 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36329 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36329 _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' . . 36329 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36329 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36329 _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' . . 36329 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36329 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36329 _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' . . 36329 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36329 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 36329 _Software.ID 7 _Software.Type . _Software.Name TopSpin _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36329 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 36329 7 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 36329 _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 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36329 _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 950 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 36329 _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' . 800 . . . 36329 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 950 . . . 36329 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 36329 _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 . . . . . . . . . . . . . . . . . 36329 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36329 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36329 1 4 '3D BEST HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36329 1 5 '3D BEST HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36329 1 6 '3D BEST HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36329 1 7 '3D HCCH-TOCSY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36329 1 8 '3D HCCH-TOCSY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36329 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36329 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36329 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36329 1 12 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36329 1 13 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36329 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 36329 _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 298K) 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 . . . . . 36329 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36329 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36329 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 36329 _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 36329 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 36329 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 36329 1 4 '3D BEST HNCO' 1 $sample_1 isotropic 36329 1 5 '3D BEST HNCACB' 1 $sample_1 isotropic 36329 1 6 '3D BEST HN(CO)CACB' 1 $sample_1 isotropic 36329 1 7 '3D HCCH-TOCSY aliphatic' 1 $sample_1 isotropic 36329 1 8 '3D HCCH-TOCSY aromatic' 1 $sample_1 isotropic 36329 1 9 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36329 1 10 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36329 1 11 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36329 1 12 '2D 1H-15N HSQC IPAP' 1 $sample_1 isotropic 36329 1 13 '2D 1H-15N HSQC IPAP' 2 $sample_2 anisotropic 36329 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 HA2 H 1 2.285 0.030 . 2 . . . . A 1 GLY HA2 . 36329 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.584 0.030 . 2 . . . . A 1 GLY HA3 . 36329 1 3 . 1 . 1 1 1 GLY C C 13 178.092 0.300 . 1 . . . . A 1 GLY C . 36329 1 4 . 1 . 1 1 1 GLY CA C 13 43.531 0.300 . 1 . . . . A 1 GLY CA . 36329 1 5 . 1 . 1 2 2 GLN H H 1 8.724 0.030 . 1 . . . . A 2 GLN H . 36329 1 6 . 1 . 1 2 2 GLN HA H 1 4.554 0.030 . 1 . . . . A 2 GLN HA . 36329 1 7 . 1 . 1 2 2 GLN HB2 H 1 2.140 0.030 . 1 . . . . A 2 GLN HB2 . 36329 1 8 . 1 . 1 2 2 GLN HB3 H 1 2.140 0.030 . 1 . . . . A 2 GLN HB3 . 36329 1 9 . 1 . 1 2 2 GLN HG2 H 1 2.226 0.030 . 1 . . . . A 2 GLN HG2 . 36329 1 10 . 1 . 1 2 2 GLN HG3 H 1 2.226 0.030 . 1 . . . . A 2 GLN HG3 . 36329 1 11 . 1 . 1 2 2 GLN HE21 H 1 7.429 0.030 . 2 . . . . A 2 GLN HE21 . 36329 1 12 . 1 . 1 2 2 GLN HE22 H 1 6.540 0.030 . 2 . . . . A 2 GLN HE22 . 36329 1 13 . 1 . 1 2 2 GLN C C 13 173.567 0.300 . 1 . . . . A 2 GLN C . 36329 1 14 . 1 . 1 2 2 GLN CA C 13 58.658 0.300 . 1 . . . . A 2 GLN CA . 36329 1 15 . 1 . 1 2 2 GLN CB C 13 31.439 0.300 . 1 . . . . A 2 GLN CB . 36329 1 16 . 1 . 1 2 2 GLN CG C 13 33.570 0.300 . 1 . . . . A 2 GLN CG . 36329 1 17 . 1 . 1 2 2 GLN N N 15 121.733 0.300 . 1 . . . . A 2 GLN N . 36329 1 18 . 1 . 1 2 2 GLN NE2 N 15 109.732 0.300 . 1 . . . . A 2 GLN NE2 . 36329 1 19 . 1 . 1 3 3 ILE H H 1 8.528 0.030 . 1 . . . . A 3 ILE H . 36329 1 20 . 1 . 1 3 3 ILE HA H 1 5.100 0.030 . 1 . . . . A 3 ILE HA . 36329 1 21 . 1 . 1 3 3 ILE HB H 1 1.740 0.030 . 1 . . . . A 3 ILE HB . 36329 1 22 . 1 . 1 3 3 ILE HG12 H 1 1.034 0.030 . 2 . . . . A 3 ILE HG12 . 36329 1 23 . 1 . 1 3 3 ILE HG13 H 1 1.680 0.030 . 2 . . . . A 3 ILE HG13 . 36329 1 24 . 1 . 1 3 3 ILE HG21 H 1 0.699 0.030 . 1 . . . . A 3 ILE HG21 . 36329 1 25 . 1 . 1 3 3 ILE HG22 H 1 0.699 0.030 . 1 . . . . A 3 ILE HG22 . 36329 1 26 . 1 . 1 3 3 ILE HG23 H 1 0.699 0.030 . 1 . . . . A 3 ILE HG23 . 36329 1 27 . 1 . 1 3 3 ILE HD11 H 1 0.940 0.030 . 1 . . . . A 3 ILE HD11 . 36329 1 28 . 1 . 1 3 3 ILE HD12 H 1 0.940 0.030 . 1 . . . . A 3 ILE HD12 . 36329 1 29 . 1 . 1 3 3 ILE HD13 H 1 0.940 0.030 . 1 . . . . A 3 ILE HD13 . 36329 1 30 . 1 . 1 3 3 ILE C C 13 175.350 0.300 . 1 . . . . A 3 ILE C . 36329 1 31 . 1 . 1 3 3 ILE CA C 13 60.438 0.300 . 1 . . . . A 3 ILE CA . 36329 1 32 . 1 . 1 3 3 ILE CB C 13 40.199 0.300 . 1 . . . . A 3 ILE CB . 36329 1 33 . 1 . 1 3 3 ILE CG1 C 13 27.989 0.300 . 1 . . . . A 3 ILE CG1 . 36329 1 34 . 1 . 1 3 3 ILE CG2 C 13 17.638 0.300 . 1 . . . . A 3 ILE CG2 . 36329 1 35 . 1 . 1 3 3 ILE CD1 C 13 14.239 0.300 . 1 . . . . A 3 ILE CD1 . 36329 1 36 . 1 . 1 3 3 ILE N N 15 123.726 0.300 . 1 . . . . A 3 ILE N . 36329 1 37 . 1 . 1 4 4 GLN H H 1 8.959 0.030 . 1 . . . . A 4 GLN H . 36329 1 38 . 1 . 1 4 4 GLN HA H 1 4.710 0.030 . 1 . . . . A 4 GLN HA . 36329 1 39 . 1 . 1 4 4 GLN HB2 H 1 1.795 0.030 . 2 . . . . A 4 GLN HB2 . 36329 1 40 . 1 . 1 4 4 GLN HB3 H 1 1.923 0.030 . 2 . . . . A 4 GLN HB3 . 36329 1 41 . 1 . 1 4 4 GLN HG2 H 1 2.095 0.030 . 1 . . . . A 4 GLN HG2 . 36329 1 42 . 1 . 1 4 4 GLN HG3 H 1 2.095 0.030 . 1 . . . . A 4 GLN HG3 . 36329 1 43 . 1 . 1 4 4 GLN HE21 H 1 6.767 0.030 . 2 . . . . A 4 GLN HE21 . 36329 1 44 . 1 . 1 4 4 GLN HE22 H 1 7.076 0.030 . 2 . . . . A 4 GLN HE22 . 36329 1 45 . 1 . 1 4 4 GLN C C 13 173.055 0.300 . 1 . . . . A 4 GLN C . 36329 1 46 . 1 . 1 4 4 GLN CA C 13 54.153 0.300 . 1 . . . . A 4 GLN CA . 36329 1 47 . 1 . 1 4 4 GLN CB C 13 33.032 0.300 . 1 . . . . A 4 GLN CB . 36329 1 48 . 1 . 1 4 4 GLN CG C 13 33.920 0.300 . 1 . . . . A 4 GLN CG . 36329 1 49 . 1 . 1 4 4 GLN N N 15 126.244 0.300 . 1 . . . . A 4 GLN N . 36329 1 50 . 1 . 1 4 4 GLN NE2 N 15 109.268 0.300 . 1 . . . . A 4 GLN NE2 . 36329 1 51 . 1 . 1 5 5 TYR H H 1 8.319 0.030 . 1 . . . . A 5 TYR H . 36329 1 52 . 1 . 1 5 5 TYR HA H 1 5.454 0.030 . 1 . . . . A 5 TYR HA . 36329 1 53 . 1 . 1 5 5 TYR HB2 H 1 2.724 0.030 . 2 . . . . A 5 TYR HB2 . 36329 1 54 . 1 . 1 5 5 TYR HB3 H 1 2.837 0.030 . 2 . . . . A 5 TYR HB3 . 36329 1 55 . 1 . 1 5 5 TYR HD1 H 1 6.910 0.030 . 1 . . . . A 5 TYR HD1 . 36329 1 56 . 1 . 1 5 5 TYR HD2 H 1 6.910 0.030 . 1 . . . . A 5 TYR HD2 . 36329 1 57 . 1 . 1 5 5 TYR HE1 H 1 6.762 0.030 . 1 . . . . A 5 TYR HE1 . 36329 1 58 . 1 . 1 5 5 TYR HE2 H 1 6.762 0.030 . 1 . . . . A 5 TYR HE2 . 36329 1 59 . 1 . 1 5 5 TYR C C 13 174.997 0.300 . 1 . . . . A 5 TYR C . 36329 1 60 . 1 . 1 5 5 TYR CA C 13 56.100 0.300 . 1 . . . . A 5 TYR CA . 36329 1 61 . 1 . 1 5 5 TYR CB C 13 41.536 0.300 . 1 . . . . A 5 TYR CB . 36329 1 62 . 1 . 1 5 5 TYR CD1 C 13 132.993 0.300 . 1 . . . . A 5 TYR CD1 . 36329 1 63 . 1 . 1 5 5 TYR CD2 C 13 132.993 0.300 . 1 . . . . A 5 TYR CD2 . 36329 1 64 . 1 . 1 5 5 TYR CE1 C 13 118.026 0.300 . 1 . . . . A 5 TYR CE1 . 36329 1 65 . 1 . 1 5 5 TYR CE2 C 13 118.026 0.300 . 1 . . . . A 5 TYR CE2 . 36329 1 66 . 1 . 1 5 5 TYR N N 15 121.392 0.300 . 1 . . . . A 5 TYR N . 36329 1 67 . 1 . 1 6 6 PHE H H 1 9.193 0.030 . 1 . . . . A 6 PHE H . 36329 1 68 . 1 . 1 6 6 PHE HA H 1 4.683 0.030 . 1 . . . . A 6 PHE HA . 36329 1 69 . 1 . 1 6 6 PHE HB2 H 1 2.696 0.030 . 2 . . . . A 6 PHE HB2 . 36329 1 70 . 1 . 1 6 6 PHE HB3 H 1 2.854 0.030 . 2 . . . . A 6 PHE HB3 . 36329 1 71 . 1 . 1 6 6 PHE HE1 H 1 7.186 0.030 . 1 . . . . A 6 PHE HE1 . 36329 1 72 . 1 . 1 6 6 PHE HE2 H 1 7.186 0.030 . 1 . . . . A 6 PHE HE2 . 36329 1 73 . 1 . 1 6 6 PHE HZ H 1 7.335 0.030 . 1 . . . . A 6 PHE HZ . 36329 1 74 . 1 . 1 6 6 PHE C C 13 173.669 0.300 . 1 . . . . A 6 PHE C . 36329 1 75 . 1 . 1 6 6 PHE CA C 13 56.882 0.300 . 1 . . . . A 6 PHE CA . 36329 1 76 . 1 . 1 6 6 PHE CB C 13 43.214 0.300 . 1 . . . . A 6 PHE CB . 36329 1 77 . 1 . 1 6 6 PHE CD1 C 13 132.980 0.300 . 1 . . . . A 6 PHE CD1 . 36329 1 78 . 1 . 1 6 6 PHE CD2 C 13 132.980 0.300 . 1 . . . . A 6 PHE CD2 . 36329 1 79 . 1 . 1 6 6 PHE CE1 C 13 130.868 0.300 . 1 . . . . A 6 PHE CE1 . 36329 1 80 . 1 . 1 6 6 PHE CE2 C 13 130.868 0.300 . 1 . . . . A 6 PHE CE2 . 36329 1 81 . 1 . 1 6 6 PHE CZ C 13 129.282 0.300 . 1 . . . . A 6 PHE CZ . 36329 1 82 . 1 . 1 6 6 PHE N N 15 119.950 0.300 . 1 . . . . A 6 PHE N . 36329 1 83 . 1 . 1 7 7 ASN H H 1 9.173 0.030 . 1 . . . . A 7 ASN H . 36329 1 84 . 1 . 1 7 7 ASN HA H 1 5.713 0.030 . 1 . . . . A 7 ASN HA . 36329 1 85 . 1 . 1 7 7 ASN HB2 H 1 2.552 0.030 . 2 . . . . A 7 ASN HB2 . 36329 1 86 . 1 . 1 7 7 ASN HB3 H 1 2.688 0.030 . 2 . . . . A 7 ASN HB3 . 36329 1 87 . 1 . 1 7 7 ASN HD21 H 1 7.264 0.030 . 2 . . . . A 7 ASN HD21 . 36329 1 88 . 1 . 1 7 7 ASN HD22 H 1 7.875 0.030 . 2 . . . . A 7 ASN HD22 . 36329 1 89 . 1 . 1 7 7 ASN C C 13 175.956 0.300 . 1 . . . . A 7 ASN C . 36329 1 90 . 1 . 1 7 7 ASN CA C 13 51.604 0.300 . 1 . . . . A 7 ASN CA . 36329 1 91 . 1 . 1 7 7 ASN CB C 13 41.646 0.300 . 1 . . . . A 7 ASN CB . 36329 1 92 . 1 . 1 7 7 ASN N N 15 119.966 0.300 . 1 . . . . A 7 ASN N . 36329 1 93 . 1 . 1 7 7 ASN ND2 N 15 114.331 0.300 . 1 . . . . A 7 ASN ND2 . 36329 1 94 . 1 . 1 8 8 VAL H H 1 8.383 0.030 . 1 . . . . A 8 VAL H . 36329 1 95 . 1 . 1 8 8 VAL HA H 1 3.533 0.030 . 1 . . . . A 8 VAL HA . 36329 1 96 . 1 . 1 8 8 VAL HB H 1 2.220 0.030 . 1 . . . . A 8 VAL HB . 36329 1 97 . 1 . 1 8 8 VAL HG11 H 1 1.070 0.030 . 2 . . . . A 8 VAL HG11 . 36329 1 98 . 1 . 1 8 8 VAL HG12 H 1 1.070 0.030 . 2 . . . . A 8 VAL HG12 . 36329 1 99 . 1 . 1 8 8 VAL HG13 H 1 1.070 0.030 . 2 . . . . A 8 VAL HG13 . 36329 1 100 . 1 . 1 8 8 VAL HG21 H 1 1.087 0.030 . 2 . . . . A 8 VAL HG21 . 36329 1 101 . 1 . 1 8 8 VAL HG22 H 1 1.087 0.030 . 2 . . . . A 8 VAL HG22 . 36329 1 102 . 1 . 1 8 8 VAL HG23 H 1 1.087 0.030 . 2 . . . . A 8 VAL HG23 . 36329 1 103 . 1 . 1 8 8 VAL C C 13 175.264 0.300 . 1 . . . . A 8 VAL C . 36329 1 104 . 1 . 1 8 8 VAL CA C 13 65.549 0.300 . 1 . . . . A 8 VAL CA . 36329 1 105 . 1 . 1 8 8 VAL CB C 13 32.259 0.300 . 1 . . . . A 8 VAL CB . 36329 1 106 . 1 . 1 8 8 VAL CG1 C 13 21.137 0.300 . 2 . . . . A 8 VAL CG1 . 36329 1 107 . 1 . 1 8 8 VAL CG2 C 13 22.555 0.300 . 2 . . . . A 8 VAL CG2 . 36329 1 108 . 1 . 1 8 8 VAL N N 15 123.689 0.300 . 1 . . . . A 8 VAL N . 36329 1 109 . 1 . 1 9 9 ASP H H 1 7.993 0.030 . 1 . . . . A 9 ASP H . 36329 1 110 . 1 . 1 9 9 ASP HA H 1 4.586 0.030 . 1 . . . . A 9 ASP HA . 36329 1 111 . 1 . 1 9 9 ASP HB2 H 1 2.857 0.030 . 1 . . . . A 9 ASP HB2 . 36329 1 112 . 1 . 1 9 9 ASP HB3 H 1 2.857 0.030 . 1 . . . . A 9 ASP HB3 . 36329 1 113 . 1 . 1 9 9 ASP C C 13 175.364 0.300 . 1 . . . . A 9 ASP C . 36329 1 114 . 1 . 1 9 9 ASP CA C 13 56.915 0.300 . 1 . . . . A 9 ASP CA . 36329 1 115 . 1 . 1 9 9 ASP CB C 13 41.105 0.300 . 1 . . . . A 9 ASP CB . 36329 1 116 . 1 . 1 9 9 ASP N N 15 118.033 0.300 . 1 . . . . A 9 ASP N . 36329 1 117 . 1 . 1 10 10 GLU H H 1 7.870 0.030 . 1 . . . . A 10 GLU H . 36329 1 118 . 1 . 1 10 10 GLU HA H 1 4.367 0.030 . 1 . . . . A 10 GLU HA . 36329 1 119 . 1 . 1 10 10 GLU HB2 H 1 2.014 0.030 . 2 . . . . A 10 GLU HB2 . 36329 1 120 . 1 . 1 10 10 GLU HB3 H 1 2.188 0.030 . 2 . . . . A 10 GLU HB3 . 36329 1 121 . 1 . 1 10 10 GLU HG2 H 1 2.296 0.030 . 2 . . . . A 10 GLU HG2 . 36329 1 122 . 1 . 1 10 10 GLU HG3 H 1 2.438 0.030 . 2 . . . . A 10 GLU HG3 . 36329 1 123 . 1 . 1 10 10 GLU C C 13 176.801 0.300 . 1 . . . . A 10 GLU C . 36329 1 124 . 1 . 1 10 10 GLU CA C 13 57.361 0.300 . 1 . . . . A 10 GLU CA . 36329 1 125 . 1 . 1 10 10 GLU CB C 13 31.904 0.300 . 1 . . . . A 10 GLU CB . 36329 1 126 . 1 . 1 10 10 GLU CG C 13 36.846 0.300 . 1 . . . . A 10 GLU CG . 36329 1 127 . 1 . 1 10 10 GLU N N 15 116.940 0.300 . 1 . . . . A 10 GLU N . 36329 1 128 . 1 . 1 11 11 ASN H H 1 8.173 0.030 . 1 . . . . A 11 ASN H . 36329 1 129 . 1 . 1 11 11 ASN HA H 1 5.429 0.030 . 1 . . . . A 11 ASN HA . 36329 1 130 . 1 . 1 11 11 ASN HB2 H 1 2.878 0.030 . 2 . . . . A 11 ASN HB2 . 36329 1 131 . 1 . 1 11 11 ASN HB3 H 1 3.353 0.030 . 2 . . . . A 11 ASN HB3 . 36329 1 132 . 1 . 1 11 11 ASN HD21 H 1 7.185 0.030 . 2 . . . . A 11 ASN HD21 . 36329 1 133 . 1 . 1 11 11 ASN HD22 H 1 7.718 0.030 . 2 . . . . A 11 ASN HD22 . 36329 1 134 . 1 . 1 11 11 ASN CA C 13 51.427 0.300 . 1 . . . . A 11 ASN CA . 36329 1 135 . 1 . 1 11 11 ASN CB C 13 40.355 0.300 . 1 . . . . A 11 ASN CB . 36329 1 136 . 1 . 1 11 11 ASN N N 15 115.424 0.300 . 1 . . . . A 11 ASN N . 36329 1 137 . 1 . 1 11 11 ASN ND2 N 15 112.670 0.300 . 1 . . . . A 11 ASN ND2 . 36329 1 138 . 1 . 1 12 12 PRO HA H 1 4.344 0.030 . 1 . . . . A 12 PRO HA . 36329 1 139 . 1 . 1 12 12 PRO HB2 H 1 2.028 0.030 . 2 . . . . A 12 PRO HB2 . 36329 1 140 . 1 . 1 12 12 PRO HB3 H 1 2.590 0.030 . 2 . . . . A 12 PRO HB3 . 36329 1 141 . 1 . 1 12 12 PRO HG2 H 1 2.202 0.030 . 1 . . . . A 12 PRO HG2 . 36329 1 142 . 1 . 1 12 12 PRO HG3 H 1 2.202 0.030 . 1 . . . . A 12 PRO HG3 . 36329 1 143 . 1 . 1 12 12 PRO HD2 H 1 3.485 0.030 . 2 . . . . A 12 PRO HD2 . 36329 1 144 . 1 . 1 12 12 PRO HD3 H 1 3.778 0.030 . 2 . . . . A 12 PRO HD3 . 36329 1 145 . 1 . 1 12 12 PRO C C 13 179.911 0.300 . 1 . . . . A 12 PRO C . 36329 1 146 . 1 . 1 12 12 PRO CA C 13 66.341 0.300 . 1 . . . . A 12 PRO CA . 36329 1 147 . 1 . 1 12 12 PRO CB C 13 31.142 0.300 . 1 . . . . A 12 PRO CB . 36329 1 148 . 1 . 1 12 12 PRO CG C 13 27.828 0.300 . 1 . . . . A 12 PRO CG . 36329 1 149 . 1 . 1 12 12 PRO CD C 13 50.427 0.300 . 1 . . . . A 12 PRO CD . 36329 1 150 . 1 . 1 13 13 GLU H H 1 8.306 0.030 . 1 . . . . A 13 GLU H . 36329 1 151 . 1 . 1 13 13 GLU HA H 1 4.110 0.030 . 1 . . . . A 13 GLU HA . 36329 1 152 . 1 . 1 13 13 GLU HB2 H 1 2.119 0.030 . 1 . . . . A 13 GLU HB2 . 36329 1 153 . 1 . 1 13 13 GLU HB3 H 1 2.119 0.030 . 1 . . . . A 13 GLU HB3 . 36329 1 154 . 1 . 1 13 13 GLU HG2 H 1 2.323 0.030 . 1 . . . . A 13 GLU HG2 . 36329 1 155 . 1 . 1 13 13 GLU HG3 H 1 2.323 0.030 . 1 . . . . A 13 GLU HG3 . 36329 1 156 . 1 . 1 13 13 GLU C C 13 178.664 0.300 . 1 . . . . A 13 GLU C . 36329 1 157 . 1 . 1 13 13 GLU CA C 13 59.501 0.300 . 1 . . . . A 13 GLU CA . 36329 1 158 . 1 . 1 13 13 GLU CB C 13 29.298 0.300 . 1 . . . . A 13 GLU CB . 36329 1 159 . 1 . 1 13 13 GLU CG C 13 36.533 0.300 . 1 . . . . A 13 GLU CG . 36329 1 160 . 1 . 1 13 13 GLU N N 15 117.411 0.300 . 1 . . . . A 13 GLU N . 36329 1 161 . 1 . 1 14 14 GLN H H 1 7.730 0.030 . 1 . . . . A 14 GLN H . 36329 1 162 . 1 . 1 14 14 GLN HA H 1 3.859 0.030 . 1 . . . . A 14 GLN HA . 36329 1 163 . 1 . 1 14 14 GLN HB2 H 1 1.778 0.030 . 1 . . . . A 14 GLN HB2 . 36329 1 164 . 1 . 1 14 14 GLN HB3 H 1 1.778 0.030 . 1 . . . . A 14 GLN HB3 . 36329 1 165 . 1 . 1 14 14 GLN HG2 H 1 2.000 0.030 . 2 . . . . A 14 GLN HG2 . 36329 1 166 . 1 . 1 14 14 GLN HG3 H 1 2.242 0.030 . 2 . . . . A 14 GLN HG3 . 36329 1 167 . 1 . 1 14 14 GLN HE21 H 1 6.988 0.030 . 2 . . . . A 14 GLN HE21 . 36329 1 168 . 1 . 1 14 14 GLN HE22 H 1 7.519 0.030 . 2 . . . . A 14 GLN HE22 . 36329 1 169 . 1 . 1 14 14 GLN C C 13 177.601 0.300 . 1 . . . . A 14 GLN C . 36329 1 170 . 1 . 1 14 14 GLN CA C 13 59.386 0.300 . 1 . . . . A 14 GLN CA . 36329 1 171 . 1 . 1 14 14 GLN CB C 13 29.228 0.300 . 1 . . . . A 14 GLN CB . 36329 1 172 . 1 . 1 14 14 GLN CG C 13 34.144 0.300 . 1 . . . . A 14 GLN CG . 36329 1 173 . 1 . 1 14 14 GLN N N 15 119.911 0.300 . 1 . . . . A 14 GLN N . 36329 1 174 . 1 . 1 14 14 GLN NE2 N 15 110.553 0.300 . 1 . . . . A 14 GLN NE2 . 36329 1 175 . 1 . 1 15 15 VAL H H 1 7.850 0.030 . 1 . . . . A 15 VAL H . 36329 1 176 . 1 . 1 15 15 VAL HA H 1 3.323 0.030 . 1 . . . . A 15 VAL HA . 36329 1 177 . 1 . 1 15 15 VAL HB H 1 2.026 0.030 . 1 . . . . A 15 VAL HB . 36329 1 178 . 1 . 1 15 15 VAL HG11 H 1 0.886 0.030 . 2 . . . . A 15 VAL HG11 . 36329 1 179 . 1 . 1 15 15 VAL HG12 H 1 0.886 0.030 . 2 . . . . A 15 VAL HG12 . 36329 1 180 . 1 . 1 15 15 VAL HG13 H 1 0.886 0.030 . 2 . . . . A 15 VAL HG13 . 36329 1 181 . 1 . 1 15 15 VAL HG21 H 1 0.954 0.030 . 2 . . . . A 15 VAL HG21 . 36329 1 182 . 1 . 1 15 15 VAL HG22 H 1 0.954 0.030 . 2 . . . . A 15 VAL HG22 . 36329 1 183 . 1 . 1 15 15 VAL HG23 H 1 0.954 0.030 . 2 . . . . A 15 VAL HG23 . 36329 1 184 . 1 . 1 15 15 VAL C C 13 176.699 0.300 . 1 . . . . A 15 VAL C . 36329 1 185 . 1 . 1 15 15 VAL CA C 13 67.520 0.300 . 1 . . . . A 15 VAL CA . 36329 1 186 . 1 . 1 15 15 VAL CB C 13 31.461 0.300 . 1 . . . . A 15 VAL CB . 36329 1 187 . 1 . 1 15 15 VAL CG1 C 13 22.041 0.300 . 2 . . . . A 15 VAL CG1 . 36329 1 188 . 1 . 1 15 15 VAL CG2 C 13 24.062 0.300 . 2 . . . . A 15 VAL CG2 . 36329 1 189 . 1 . 1 15 15 VAL N N 15 116.167 0.300 . 1 . . . . A 15 VAL N . 36329 1 190 . 1 . 1 16 16 ARG H H 1 7.860 0.030 . 1 . . . . A 16 ARG H . 36329 1 191 . 1 . 1 16 16 ARG HA H 1 3.796 0.030 . 1 . . . . A 16 ARG HA . 36329 1 192 . 1 . 1 16 16 ARG HB2 H 1 1.873 0.030 . 1 . . . . A 16 ARG HB2 . 36329 1 193 . 1 . 1 16 16 ARG HB3 H 1 1.873 0.030 . 1 . . . . A 16 ARG HB3 . 36329 1 194 . 1 . 1 16 16 ARG HG2 H 1 1.553 0.030 . 1 . . . . A 16 ARG HG2 . 36329 1 195 . 1 . 1 16 16 ARG HG3 H 1 1.553 0.030 . 1 . . . . A 16 ARG HG3 . 36329 1 196 . 1 . 1 16 16 ARG HD2 H 1 3.151 0.030 . 1 . . . . A 16 ARG HD2 . 36329 1 197 . 1 . 1 16 16 ARG HD3 H 1 3.151 0.030 . 1 . . . . A 16 ARG HD3 . 36329 1 198 . 1 . 1 16 16 ARG C C 13 178.272 0.300 . 1 . . . . A 16 ARG C . 36329 1 199 . 1 . 1 16 16 ARG CA C 13 60.314 0.300 . 1 . . . . A 16 ARG CA . 36329 1 200 . 1 . 1 16 16 ARG CB C 13 29.942 0.300 . 1 . . . . A 16 ARG CB . 36329 1 201 . 1 . 1 16 16 ARG CG C 13 28.268 0.300 . 1 . . . . A 16 ARG CG . 36329 1 202 . 1 . 1 16 16 ARG CD C 13 43.337 0.300 . 1 . . . . A 16 ARG CD . 36329 1 203 . 1 . 1 16 16 ARG N N 15 117.770 0.300 . 1 . . . . A 16 ARG N . 36329 1 204 . 1 . 1 17 17 LYS H H 1 7.786 0.030 . 1 . . . . A 17 LYS H . 36329 1 205 . 1 . 1 17 17 LYS HA H 1 4.078 0.030 . 1 . . . . A 17 LYS HA . 36329 1 206 . 1 . 1 17 17 LYS HB2 H 1 1.764 0.030 . 2 . . . . A 17 LYS HB2 . 36329 1 207 . 1 . 1 17 17 LYS HB3 H 1 1.809 0.030 . 2 . . . . A 17 LYS HB3 . 36329 1 208 . 1 . 1 17 17 LYS HE2 H 1 2.926 0.030 . 1 . . . . A 17 LYS HE2 . 36329 1 209 . 1 . 1 17 17 LYS HE3 H 1 2.926 0.030 . 1 . . . . A 17 LYS HE3 . 36329 1 210 . 1 . 1 17 17 LYS C C 13 178.491 0.300 . 1 . . . . A 17 LYS C . 36329 1 211 . 1 . 1 17 17 LYS CA C 13 58.820 0.300 . 1 . . . . A 17 LYS CA . 36329 1 212 . 1 . 1 17 17 LYS CB C 13 32.209 0.300 . 1 . . . . A 17 LYS CB . 36329 1 213 . 1 . 1 17 17 LYS CE C 13 42.076 0.300 . 1 . . . . A 17 LYS CE . 36329 1 214 . 1 . 1 17 17 LYS N N 15 117.645 0.300 . 1 . . . . A 17 LYS N . 36329 1 215 . 1 . 1 18 18 LEU H H 1 8.025 0.030 . 1 . . . . A 18 LEU H . 36329 1 216 . 1 . 1 18 18 LEU HA H 1 3.815 0.030 . 1 . . . . A 18 LEU HA . 36329 1 217 . 1 . 1 18 18 LEU HB2 H 1 0.954 0.030 . 2 . . . . A 18 LEU HB2 . 36329 1 218 . 1 . 1 18 18 LEU HB3 H 1 1.865 0.030 . 2 . . . . A 18 LEU HB3 . 36329 1 219 . 1 . 1 18 18 LEU HG H 1 1.553 0.030 . 1 . . . . A 18 LEU HG . 36329 1 220 . 1 . 1 18 18 LEU HD11 H 1 0.597 0.030 . 2 . . . . A 18 LEU HD11 . 36329 1 221 . 1 . 1 18 18 LEU HD12 H 1 0.597 0.030 . 2 . . . . A 18 LEU HD12 . 36329 1 222 . 1 . 1 18 18 LEU HD13 H 1 0.597 0.030 . 2 . . . . A 18 LEU HD13 . 36329 1 223 . 1 . 1 18 18 LEU HD21 H 1 0.114 0.030 . 2 . . . . A 18 LEU HD21 . 36329 1 224 . 1 . 1 18 18 LEU HD22 H 1 0.114 0.030 . 2 . . . . A 18 LEU HD22 . 36329 1 225 . 1 . 1 18 18 LEU HD23 H 1 0.114 0.030 . 2 . . . . A 18 LEU HD23 . 36329 1 226 . 1 . 1 18 18 LEU C C 13 178.006 0.300 . 1 . . . . A 18 LEU C . 36329 1 227 . 1 . 1 18 18 LEU CA C 13 58.321 0.300 . 1 . . . . A 18 LEU CA . 36329 1 228 . 1 . 1 18 18 LEU CB C 13 42.517 0.300 . 1 . . . . A 18 LEU CB . 36329 1 229 . 1 . 1 18 18 LEU CG C 13 26.951 0.300 . 1 . . . . A 18 LEU CG . 36329 1 230 . 1 . 1 18 18 LEU CD1 C 13 25.358 0.300 . 2 . . . . A 18 LEU CD1 . 36329 1 231 . 1 . 1 18 18 LEU CD2 C 13 25.914 0.300 . 2 . . . . A 18 LEU CD2 . 36329 1 232 . 1 . 1 18 18 LEU N N 15 119.763 0.300 . 1 . . . . A 18 LEU N . 36329 1 233 . 1 . 1 19 19 ILE H H 1 7.835 0.030 . 1 . . . . A 19 ILE H . 36329 1 234 . 1 . 1 19 19 ILE HA H 1 3.332 0.030 . 1 . . . . A 19 ILE HA . 36329 1 235 . 1 . 1 19 19 ILE HB H 1 1.890 0.030 . 1 . . . . A 19 ILE HB . 36329 1 236 . 1 . 1 19 19 ILE HG12 H 1 0.777 0.030 . 2 . . . . A 19 ILE HG12 . 36329 1 237 . 1 . 1 19 19 ILE HG13 H 1 1.753 0.030 . 2 . . . . A 19 ILE HG13 . 36329 1 238 . 1 . 1 19 19 ILE HG21 H 1 0.700 0.030 . 1 . . . . A 19 ILE HG21 . 36329 1 239 . 1 . 1 19 19 ILE HG22 H 1 0.700 0.030 . 1 . . . . A 19 ILE HG22 . 36329 1 240 . 1 . 1 19 19 ILE HG23 H 1 0.700 0.030 . 1 . . . . A 19 ILE HG23 . 36329 1 241 . 1 . 1 19 19 ILE HD11 H 1 0.686 0.030 . 1 . . . . A 19 ILE HD11 . 36329 1 242 . 1 . 1 19 19 ILE HD12 H 1 0.686 0.030 . 1 . . . . A 19 ILE HD12 . 36329 1 243 . 1 . 1 19 19 ILE HD13 H 1 0.686 0.030 . 1 . . . . A 19 ILE HD13 . 36329 1 244 . 1 . 1 19 19 ILE C C 13 177.687 0.300 . 1 . . . . A 19 ILE C . 36329 1 245 . 1 . 1 19 19 ILE CA C 13 65.890 0.300 . 1 . . . . A 19 ILE CA . 36329 1 246 . 1 . 1 19 19 ILE CB C 13 37.768 0.300 . 1 . . . . A 19 ILE CB . 36329 1 247 . 1 . 1 19 19 ILE CG1 C 13 29.656 0.300 . 1 . . . . A 19 ILE CG1 . 36329 1 248 . 1 . 1 19 19 ILE CG2 C 13 19.104 0.300 . 1 . . . . A 19 ILE CG2 . 36329 1 249 . 1 . 1 19 19 ILE CD1 C 13 13.792 0.300 . 1 . . . . A 19 ILE CD1 . 36329 1 250 . 1 . 1 19 19 ILE N N 15 116.633 0.300 . 1 . . . . A 19 ILE N . 36329 1 251 . 1 . 1 20 20 GLU H H 1 8.069 0.030 . 1 . . . . A 20 GLU H . 36329 1 252 . 1 . 1 20 20 GLU HA H 1 4.390 0.030 . 1 . . . . A 20 GLU HA . 36329 1 253 . 1 . 1 20 20 GLU HB2 H 1 2.124 0.030 . 2 . . . . A 20 GLU HB2 . 36329 1 254 . 1 . 1 20 20 GLU HB3 H 1 2.180 0.030 . 2 . . . . A 20 GLU HB3 . 36329 1 255 . 1 . 1 20 20 GLU HG2 H 1 2.177 0.030 . 2 . . . . A 20 GLU HG2 . 36329 1 256 . 1 . 1 20 20 GLU HG3 H 1 2.469 0.030 . 2 . . . . A 20 GLU HG3 . 36329 1 257 . 1 . 1 20 20 GLU C C 13 182.114 0.300 . 1 . . . . A 20 GLU C . 36329 1 258 . 1 . 1 20 20 GLU CA C 13 59.176 0.300 . 1 . . . . A 20 GLU CA . 36329 1 259 . 1 . 1 20 20 GLU CB C 13 30.156 0.300 . 1 . . . . A 20 GLU CB . 36329 1 260 . 1 . 1 20 20 GLU CG C 13 36.613 0.300 . 1 . . . . A 20 GLU CG . 36329 1 261 . 1 . 1 20 20 GLU N N 15 118.843 0.300 . 1 . . . . A 20 GLU N . 36329 1 262 . 1 . 1 21 21 GLN H H 1 8.836 0.030 . 1 . . . . A 21 GLN H . 36329 1 263 . 1 . 1 21 21 GLN HA H 1 4.032 0.030 . 1 . . . . A 21 GLN HA . 36329 1 264 . 1 . 1 21 21 GLN HB2 H 1 1.719 0.030 . 2 . . . . A 21 GLN HB2 . 36329 1 265 . 1 . 1 21 21 GLN HB3 H 1 2.272 0.030 . 2 . . . . A 21 GLN HB3 . 36329 1 266 . 1 . 1 21 21 GLN HG2 H 1 2.277 0.030 . 2 . . . . A 21 GLN HG2 . 36329 1 267 . 1 . 1 21 21 GLN HG3 H 1 2.647 0.030 . 2 . . . . A 21 GLN HG3 . 36329 1 268 . 1 . 1 21 21 GLN HE21 H 1 6.397 0.030 . 2 . . . . A 21 GLN HE21 . 36329 1 269 . 1 . 1 21 21 GLN HE22 H 1 7.353 0.030 . 2 . . . . A 21 GLN HE22 . 36329 1 270 . 1 . 1 21 21 GLN C C 13 177.772 0.300 . 1 . . . . A 21 GLN C . 36329 1 271 . 1 . 1 21 21 GLN CA C 13 58.250 0.300 . 1 . . . . A 21 GLN CA . 36329 1 272 . 1 . 1 21 21 GLN CB C 13 28.173 0.300 . 1 . . . . A 21 GLN CB . 36329 1 273 . 1 . 1 21 21 GLN CG C 13 34.940 0.300 . 1 . . . . A 21 GLN CG . 36329 1 274 . 1 . 1 21 21 GLN N N 15 120.040 0.300 . 1 . . . . A 21 GLN N . 36329 1 275 . 1 . 1 21 21 GLN NE2 N 15 108.261 0.300 . 1 . . . . A 21 GLN NE2 . 36329 1 276 . 1 . 1 22 22 ALA H H 1 8.054 0.030 . 1 . . . . A 22 ALA H . 36329 1 277 . 1 . 1 22 22 ALA HA H 1 4.156 0.030 . 1 . . . . A 22 ALA HA . 36329 1 278 . 1 . 1 22 22 ALA HB1 H 1 1.545 0.030 . 1 . . . . A 22 ALA HB1 . 36329 1 279 . 1 . 1 22 22 ALA HB2 H 1 1.545 0.030 . 1 . . . . A 22 ALA HB2 . 36329 1 280 . 1 . 1 22 22 ALA HB3 H 1 1.545 0.030 . 1 . . . . A 22 ALA HB3 . 36329 1 281 . 1 . 1 22 22 ALA C C 13 176.034 0.300 . 1 . . . . A 22 ALA C . 36329 1 282 . 1 . 1 22 22 ALA CA C 13 52.447 0.300 . 1 . . . . A 22 ALA CA . 36329 1 283 . 1 . 1 22 22 ALA CB C 13 18.533 0.300 . 1 . . . . A 22 ALA CB . 36329 1 284 . 1 . 1 22 22 ALA N N 15 120.664 0.300 . 1 . . . . A 22 ALA N . 36329 1 285 . 1 . 1 23 23 GLY H H 1 7.798 0.030 . 1 . . . . A 23 GLY H . 36329 1 286 . 1 . 1 23 23 GLY HA2 H 1 3.791 0.030 . 2 . . . . A 23 GLY HA2 . 36329 1 287 . 1 . 1 23 23 GLY HA3 H 1 4.254 0.030 . 2 . . . . A 23 GLY HA3 . 36329 1 288 . 1 . 1 23 23 GLY C C 13 174.452 0.300 . 1 . . . . A 23 GLY C . 36329 1 289 . 1 . 1 23 23 GLY CA C 13 45.328 0.300 . 1 . . . . A 23 GLY CA . 36329 1 290 . 1 . 1 23 23 GLY N N 15 104.248 0.300 . 1 . . . . A 23 GLY N . 36329 1 291 . 1 . 1 24 24 LEU H H 1 7.631 0.030 . 1 . . . . A 24 LEU H . 36329 1 292 . 1 . 1 24 24 LEU HA H 1 4.640 0.030 . 1 . . . . A 24 LEU HA . 36329 1 293 . 1 . 1 24 24 LEU HB2 H 1 1.383 0.030 . 2 . . . . A 24 LEU HB2 . 36329 1 294 . 1 . 1 24 24 LEU HB3 H 1 1.608 0.030 . 2 . . . . A 24 LEU HB3 . 36329 1 295 . 1 . 1 24 24 LEU HG H 1 1.544 0.030 . 1 . . . . A 24 LEU HG . 36329 1 296 . 1 . 1 24 24 LEU HD11 H 1 0.861 0.030 . 2 . . . . A 24 LEU HD11 . 36329 1 297 . 1 . 1 24 24 LEU HD12 H 1 0.861 0.030 . 2 . . . . A 24 LEU HD12 . 36329 1 298 . 1 . 1 24 24 LEU HD13 H 1 0.861 0.030 . 2 . . . . A 24 LEU HD13 . 36329 1 299 . 1 . 1 24 24 LEU HD21 H 1 0.803 0.030 . 2 . . . . A 24 LEU HD21 . 36329 1 300 . 1 . 1 24 24 LEU HD22 H 1 0.803 0.030 . 2 . . . . A 24 LEU HD22 . 36329 1 301 . 1 . 1 24 24 LEU HD23 H 1 0.803 0.030 . 2 . . . . A 24 LEU HD23 . 36329 1 302 . 1 . 1 24 24 LEU C C 13 175.059 0.300 . 1 . . . . A 24 LEU C . 36329 1 303 . 1 . 1 24 24 LEU CA C 13 53.268 0.300 . 1 . . . . A 24 LEU CA . 36329 1 304 . 1 . 1 24 24 LEU CB C 13 44.095 0.300 . 1 . . . . A 24 LEU CB . 36329 1 305 . 1 . 1 24 24 LEU CG C 13 27.338 0.300 . 1 . . . . A 24 LEU CG . 36329 1 306 . 1 . 1 24 24 LEU CD1 C 13 23.359 0.300 . 2 . . . . A 24 LEU CD1 . 36329 1 307 . 1 . 1 24 24 LEU CD2 C 13 25.882 0.300 . 2 . . . . A 24 LEU CD2 . 36329 1 308 . 1 . 1 24 24 LEU N N 15 120.558 0.300 . 1 . . . . A 24 LEU N . 36329 1 309 . 1 . 1 25 25 ASP H H 1 8.442 0.030 . 1 . . . . A 25 ASP H . 36329 1 310 . 1 . 1 25 25 ASP HA H 1 4.940 0.030 . 1 . . . . A 25 ASP HA . 36329 1 311 . 1 . 1 25 25 ASP HB2 H 1 2.613 0.030 . 2 . . . . A 25 ASP HB2 . 36329 1 312 . 1 . 1 25 25 ASP HB3 H 1 2.860 0.030 . 2 . . . . A 25 ASP HB3 . 36329 1 313 . 1 . 1 25 25 ASP CA C 13 51.158 0.300 . 1 . . . . A 25 ASP CA . 36329 1 314 . 1 . 1 25 25 ASP CB C 13 42.445 0.300 . 1 . . . . A 25 ASP CB . 36329 1 315 . 1 . 1 25 25 ASP N N 15 121.367 0.300 . 1 . . . . A 25 ASP N . 36329 1 316 . 1 . 1 26 26 PRO HA H 1 4.127 0.030 . 1 . . . . A 26 PRO HA . 36329 1 317 . 1 . 1 26 26 PRO HB2 H 1 2.269 0.030 . 1 . . . . A 26 PRO HB2 . 36329 1 318 . 1 . 1 26 26 PRO HB3 H 1 2.269 0.030 . 1 . . . . A 26 PRO HB3 . 36329 1 319 . 1 . 1 26 26 PRO HG2 H 1 1.988 0.030 . 2 . . . . A 26 PRO HG2 . 36329 1 320 . 1 . 1 26 26 PRO HG3 H 1 2.094 0.030 . 2 . . . . A 26 PRO HG3 . 36329 1 321 . 1 . 1 26 26 PRO HD2 H 1 3.963 0.030 . 1 . . . . A 26 PRO HD2 . 36329 1 322 . 1 . 1 26 26 PRO HD3 H 1 3.963 0.030 . 1 . . . . A 26 PRO HD3 . 36329 1 323 . 1 . 1 26 26 PRO C C 13 178.300 0.300 . 1 . . . . A 26 PRO C . 36329 1 324 . 1 . 1 26 26 PRO CA C 13 65.075 0.300 . 1 . . . . A 26 PRO CA . 36329 1 325 . 1 . 1 26 26 PRO CB C 13 32.220 0.300 . 1 . . . . A 26 PRO CB . 36329 1 326 . 1 . 1 26 26 PRO CG C 13 27.566 0.300 . 1 . . . . A 26 PRO CG . 36329 1 327 . 1 . 1 26 26 PRO CD C 13 51.050 0.300 . 1 . . . . A 26 PRO CD . 36329 1 328 . 1 . 1 27 27 ASP H H 1 8.555 0.030 . 1 . . . . A 27 ASP H . 36329 1 329 . 1 . 1 27 27 ASP HA H 1 4.619 0.030 . 1 . . . . A 27 ASP HA . 36329 1 330 . 1 . 1 27 27 ASP HB2 H 1 2.708 0.030 . 1 . . . . A 27 ASP HB2 . 36329 1 331 . 1 . 1 27 27 ASP HB3 H 1 2.708 0.030 . 1 . . . . A 27 ASP HB3 . 36329 1 332 . 1 . 1 27 27 ASP C C 13 178.168 0.300 . 1 . . . . A 27 ASP C . 36329 1 333 . 1 . 1 27 27 ASP CA C 13 56.323 0.300 . 1 . . . . A 27 ASP CA . 36329 1 334 . 1 . 1 27 27 ASP CB C 13 40.501 0.300 . 1 . . . . A 27 ASP CB . 36329 1 335 . 1 . 1 27 27 ASP N N 15 117.485 0.300 . 1 . . . . A 27 ASP N . 36329 1 336 . 1 . 1 28 28 GLU H H 1 8.036 0.030 . 1 . . . . A 28 GLU H . 36329 1 337 . 1 . 1 28 28 GLU HA H 1 4.227 0.030 . 1 . . . . A 28 GLU HA . 36329 1 338 . 1 . 1 28 28 GLU HB2 H 1 2.220 0.030 . 1 . . . . A 28 GLU HB2 . 36329 1 339 . 1 . 1 28 28 GLU HB3 H 1 2.220 0.030 . 1 . . . . A 28 GLU HB3 . 36329 1 340 . 1 . 1 28 28 GLU HG2 H 1 2.384 0.030 . 1 . . . . A 28 GLU HG2 . 36329 1 341 . 1 . 1 28 28 GLU HG3 H 1 2.384 0.030 . 1 . . . . A 28 GLU HG3 . 36329 1 342 . 1 . 1 28 28 GLU C C 13 178.689 0.300 . 1 . . . . A 28 GLU C . 36329 1 343 . 1 . 1 28 28 GLU CA C 13 58.138 0.300 . 1 . . . . A 28 GLU CA . 36329 1 344 . 1 . 1 28 28 GLU CB C 13 29.972 0.300 . 1 . . . . A 28 GLU CB . 36329 1 345 . 1 . 1 28 28 GLU CG C 13 36.631 0.300 . 1 . . . . A 28 GLU CG . 36329 1 346 . 1 . 1 28 28 GLU N N 15 119.759 0.300 . 1 . . . . A 28 GLU N . 36329 1 347 . 1 . 1 29 29 LEU H H 1 7.484 0.030 . 1 . . . . A 29 LEU H . 36329 1 348 . 1 . 1 29 29 LEU HA H 1 4.446 0.030 . 1 . . . . A 29 LEU HA . 36329 1 349 . 1 . 1 29 29 LEU HB2 H 1 1.549 0.030 . 2 . . . . A 29 LEU HB2 . 36329 1 350 . 1 . 1 29 29 LEU HB3 H 1 1.768 0.030 . 2 . . . . A 29 LEU HB3 . 36329 1 351 . 1 . 1 29 29 LEU HG H 1 1.629 0.030 . 1 . . . . A 29 LEU HG . 36329 1 352 . 1 . 1 29 29 LEU HD11 H 1 0.758 0.030 . 1 . . . . A 29 LEU HD11 . 36329 1 353 . 1 . 1 29 29 LEU HD12 H 1 0.758 0.030 . 1 . . . . A 29 LEU HD12 . 36329 1 354 . 1 . 1 29 29 LEU HD13 H 1 0.758 0.030 . 1 . . . . A 29 LEU HD13 . 36329 1 355 . 1 . 1 29 29 LEU HD21 H 1 0.807 0.030 . 1 . . . . A 29 LEU HD21 . 36329 1 356 . 1 . 1 29 29 LEU HD22 H 1 0.807 0.030 . 1 . . . . A 29 LEU HD22 . 36329 1 357 . 1 . 1 29 29 LEU HD23 H 1 0.807 0.030 . 1 . . . . A 29 LEU HD23 . 36329 1 358 . 1 . 1 29 29 LEU CA C 13 54.985 0.300 . 1 . . . . A 29 LEU CA . 36329 1 359 . 1 . 1 29 29 LEU CB C 13 41.843 0.300 . 1 . . . . A 29 LEU CB . 36329 1 360 . 1 . 1 29 29 LEU CG C 13 27.277 0.300 . 1 . . . . A 29 LEU CG . 36329 1 361 . 1 . 1 29 29 LEU CD1 C 13 23.866 0.300 . 1 . . . . A 29 LEU CD1 . 36329 1 362 . 1 . 1 29 29 LEU CD2 C 13 23.866 0.300 . 1 . . . . A 29 LEU CD2 . 36329 1 363 . 1 . 1 29 29 LEU N N 15 118.027 0.300 . 1 . . . . A 29 LEU N . 36329 1 364 . 1 . 1 30 30 ARG HA H 1 4.140 0.030 . 1 . . . . A 30 ARG HA . 36329 1 365 . 1 . 1 30 30 ARG C C 13 177.161 0.300 . 1 . . . . A 30 ARG C . 36329 1 366 . 1 . 1 31 31 GLU H H 1 8.170 0.030 . 1 . . . . A 31 GLU H . 36329 1 367 . 1 . 1 31 31 GLU HA H 1 4.352 0.030 . 1 . . . . A 31 GLU HA . 36329 1 368 . 1 . 1 31 31 GLU HB2 H 1 1.905 0.030 . 2 . . . . A 31 GLU HB2 . 36329 1 369 . 1 . 1 31 31 GLU HB3 H 1 2.221 0.030 . 2 . . . . A 31 GLU HB3 . 36329 1 370 . 1 . 1 31 31 GLU HG2 H 1 2.237 0.030 . 1 . . . . A 31 GLU HG2 . 36329 1 371 . 1 . 1 31 31 GLU HG3 H 1 2.237 0.030 . 1 . . . . A 31 GLU HG3 . 36329 1 372 . 1 . 1 31 31 GLU C C 13 176.188 0.300 . 1 . . . . A 31 GLU C . 36329 1 373 . 1 . 1 31 31 GLU CA C 13 56.531 0.300 . 1 . . . . A 31 GLU CA . 36329 1 374 . 1 . 1 31 31 GLU CB C 13 30.212 0.300 . 1 . . . . A 31 GLU CB . 36329 1 375 . 1 . 1 31 31 GLU CG C 13 36.409 0.300 . 1 . . . . A 31 GLU CG . 36329 1 376 . 1 . 1 31 31 GLU N N 15 116.291 0.300 . 1 . . . . A 31 GLU N . 36329 1 377 . 1 . 1 32 32 ALA H H 1 7.702 0.030 . 1 . . . . A 32 ALA H . 36329 1 378 . 1 . 1 32 32 ALA HA H 1 4.325 0.030 . 1 . . . . A 32 ALA HA . 36329 1 379 . 1 . 1 32 32 ALA HB1 H 1 1.319 0.030 . 1 . . . . A 32 ALA HB1 . 36329 1 380 . 1 . 1 32 32 ALA HB2 H 1 1.319 0.030 . 1 . . . . A 32 ALA HB2 . 36329 1 381 . 1 . 1 32 32 ALA HB3 H 1 1.319 0.030 . 1 . . . . A 32 ALA HB3 . 36329 1 382 . 1 . 1 32 32 ALA C C 13 176.586 0.300 . 1 . . . . A 32 ALA C . 36329 1 383 . 1 . 1 32 32 ALA CA C 13 52.140 0.300 . 1 . . . . A 32 ALA CA . 36329 1 384 . 1 . 1 32 32 ALA CB C 13 19.358 0.300 . 1 . . . . A 32 ALA CB . 36329 1 385 . 1 . 1 32 32 ALA N N 15 122.418 0.300 . 1 . . . . A 32 ALA N . 36329 1 386 . 1 . 1 33 33 GLU H H 1 8.429 0.030 . 1 . . . . A 33 GLU H . 36329 1 387 . 1 . 1 33 33 GLU HA H 1 4.286 0.030 . 1 . . . . A 33 GLU HA . 36329 1 388 . 1 . 1 33 33 GLU HB2 H 1 2.133 0.030 . 2 . . . . A 33 GLU HB2 . 36329 1 389 . 1 . 1 33 33 GLU HB3 H 1 2.241 0.030 . 2 . . . . A 33 GLU HB3 . 36329 1 390 . 1 . 1 33 33 GLU HG2 H 1 2.237 0.030 . 2 . . . . A 33 GLU HG2 . 36329 1 391 . 1 . 1 33 33 GLU HG3 H 1 2.451 0.030 . 2 . . . . A 33 GLU HG3 . 36329 1 392 . 1 . 1 33 33 GLU C C 13 177.018 0.300 . 1 . . . . A 33 GLU C . 36329 1 393 . 1 . 1 33 33 GLU CA C 13 58.682 0.300 . 1 . . . . A 33 GLU CA . 36329 1 394 . 1 . 1 33 33 GLU CB C 13 31.476 0.300 . 1 . . . . A 33 GLU CB . 36329 1 395 . 1 . 1 33 33 GLU CG C 13 37.107 0.300 . 1 . . . . A 33 GLU CG . 36329 1 396 . 1 . 1 33 33 GLU N N 15 121.192 0.300 . 1 . . . . A 33 GLU N . 36329 1 397 . 1 . 1 34 34 VAL H H 1 8.756 0.030 . 1 . . . . A 34 VAL H . 36329 1 398 . 1 . 1 34 34 VAL HA H 1 4.752 0.030 . 1 . . . . A 34 VAL HA . 36329 1 399 . 1 . 1 34 34 VAL HB H 1 2.015 0.030 . 1 . . . . A 34 VAL HB . 36329 1 400 . 1 . 1 34 34 VAL HG11 H 1 0.560 0.030 . 2 . . . . A 34 VAL HG11 . 36329 1 401 . 1 . 1 34 34 VAL HG12 H 1 0.560 0.030 . 2 . . . . A 34 VAL HG12 . 36329 1 402 . 1 . 1 34 34 VAL HG13 H 1 0.560 0.030 . 2 . . . . A 34 VAL HG13 . 36329 1 403 . 1 . 1 34 34 VAL HG21 H 1 0.951 0.030 . 2 . . . . A 34 VAL HG21 . 36329 1 404 . 1 . 1 34 34 VAL HG22 H 1 0.951 0.030 . 2 . . . . A 34 VAL HG22 . 36329 1 405 . 1 . 1 34 34 VAL HG23 H 1 0.951 0.030 . 2 . . . . A 34 VAL HG23 . 36329 1 406 . 1 . 1 34 34 VAL C C 13 174.743 0.300 . 1 . . . . A 34 VAL C . 36329 1 407 . 1 . 1 34 34 VAL CA C 13 61.811 0.300 . 1 . . . . A 34 VAL CA . 36329 1 408 . 1 . 1 34 34 VAL CB C 13 35.457 0.300 . 1 . . . . A 34 VAL CB . 36329 1 409 . 1 . 1 34 34 VAL CG1 C 13 20.981 0.300 . 2 . . . . A 34 VAL CG1 . 36329 1 410 . 1 . 1 34 34 VAL CG2 C 13 21.458 0.300 . 2 . . . . A 34 VAL CG2 . 36329 1 411 . 1 . 1 34 34 VAL N N 15 119.005 0.300 . 1 . . . . A 34 VAL N . 36329 1 412 . 1 . 1 35 35 ILE H H 1 8.804 0.030 . 1 . . . . A 35 ILE H . 36329 1 413 . 1 . 1 35 35 ILE HA H 1 4.702 0.030 . 1 . . . . A 35 ILE HA . 36329 1 414 . 1 . 1 35 35 ILE HB H 1 1.731 0.030 . 1 . . . . A 35 ILE HB . 36329 1 415 . 1 . 1 35 35 ILE HG12 H 1 0.804 0.030 . 2 . . . . A 35 ILE HG12 . 36329 1 416 . 1 . 1 35 35 ILE HG13 H 1 1.519 0.030 . 2 . . . . A 35 ILE HG13 . 36329 1 417 . 1 . 1 35 35 ILE HG21 H 1 0.664 0.030 . 1 . . . . A 35 ILE HG21 . 36329 1 418 . 1 . 1 35 35 ILE HG22 H 1 0.664 0.030 . 1 . . . . A 35 ILE HG22 . 36329 1 419 . 1 . 1 35 35 ILE HG23 H 1 0.664 0.030 . 1 . . . . A 35 ILE HG23 . 36329 1 420 . 1 . 1 35 35 ILE HD11 H 1 0.747 0.030 . 1 . . . . A 35 ILE HD11 . 36329 1 421 . 1 . 1 35 35 ILE HD12 H 1 0.747 0.030 . 1 . . . . A 35 ILE HD12 . 36329 1 422 . 1 . 1 35 35 ILE HD13 H 1 0.747 0.030 . 1 . . . . A 35 ILE HD13 . 36329 1 423 . 1 . 1 35 35 ILE C C 13 173.811 0.300 . 1 . . . . A 35 ILE C . 36329 1 424 . 1 . 1 35 35 ILE CA C 13 60.099 0.300 . 1 . . . . A 35 ILE CA . 36329 1 425 . 1 . 1 35 35 ILE CB C 13 40.930 0.300 . 1 . . . . A 35 ILE CB . 36329 1 426 . 1 . 1 35 35 ILE CG1 C 13 27.771 0.300 . 1 . . . . A 35 ILE CG1 . 36329 1 427 . 1 . 1 35 35 ILE CG2 C 13 16.760 0.300 . 1 . . . . A 35 ILE CG2 . 36329 1 428 . 1 . 1 35 35 ILE CD1 C 13 14.742 0.300 . 1 . . . . A 35 ILE CD1 . 36329 1 429 . 1 . 1 35 35 ILE N N 15 128.256 0.300 . 1 . . . . A 35 ILE N . 36329 1 430 . 1 . 1 36 36 ILE H H 1 8.527 0.030 . 1 . . . . A 36 ILE H . 36329 1 431 . 1 . 1 36 36 ILE HA H 1 5.069 0.030 . 1 . . . . A 36 ILE HA . 36329 1 432 . 1 . 1 36 36 ILE HB H 1 1.714 0.030 . 1 . . . . A 36 ILE HB . 36329 1 433 . 1 . 1 36 36 ILE HG12 H 1 1.026 0.030 . 2 . . . . A 36 ILE HG12 . 36329 1 434 . 1 . 1 36 36 ILE HG13 H 1 1.378 0.030 . 2 . . . . A 36 ILE HG13 . 36329 1 435 . 1 . 1 36 36 ILE HG21 H 1 0.768 0.030 . 1 . . . . A 36 ILE HG21 . 36329 1 436 . 1 . 1 36 36 ILE HG22 H 1 0.768 0.030 . 1 . . . . A 36 ILE HG22 . 36329 1 437 . 1 . 1 36 36 ILE HG23 H 1 0.768 0.030 . 1 . . . . A 36 ILE HG23 . 36329 1 438 . 1 . 1 36 36 ILE HD11 H 1 0.565 0.030 . 1 . . . . A 36 ILE HD11 . 36329 1 439 . 1 . 1 36 36 ILE HD12 H 1 0.565 0.030 . 1 . . . . A 36 ILE HD12 . 36329 1 440 . 1 . 1 36 36 ILE HD13 H 1 0.565 0.030 . 1 . . . . A 36 ILE HD13 . 36329 1 441 . 1 . 1 36 36 ILE C C 13 174.001 0.300 . 1 . . . . A 36 ILE C . 36329 1 442 . 1 . 1 36 36 ILE CA C 13 59.304 0.300 . 1 . . . . A 36 ILE CA . 36329 1 443 . 1 . 1 36 36 ILE CB C 13 39.946 0.300 . 1 . . . . A 36 ILE CB . 36329 1 444 . 1 . 1 36 36 ILE CG1 C 13 28.018 0.300 . 1 . . . . A 36 ILE CG1 . 36329 1 445 . 1 . 1 36 36 ILE CG2 C 13 17.822 0.300 . 1 . . . . A 36 ILE CG2 . 36329 1 446 . 1 . 1 36 36 ILE CD1 C 13 13.699 0.300 . 1 . . . . A 36 ILE CD1 . 36329 1 447 . 1 . 1 36 36 ILE N N 15 125.660 0.300 . 1 . . . . A 36 ILE N . 36329 1 448 . 1 . 1 37 37 ILE H H 1 9.214 0.030 . 1 . . . . A 37 ILE H . 36329 1 449 . 1 . 1 37 37 ILE HA H 1 4.939 0.030 . 1 . . . . A 37 ILE HA . 36329 1 450 . 1 . 1 37 37 ILE HB H 1 1.836 0.030 . 1 . . . . A 37 ILE HB . 36329 1 451 . 1 . 1 37 37 ILE HG12 H 1 1.032 0.030 . 2 . . . . A 37 ILE HG12 . 36329 1 452 . 1 . 1 37 37 ILE HG13 H 1 1.647 0.030 . 2 . . . . A 37 ILE HG13 . 36329 1 453 . 1 . 1 37 37 ILE HG21 H 1 0.960 0.030 . 1 . . . . A 37 ILE HG21 . 36329 1 454 . 1 . 1 37 37 ILE HG22 H 1 0.960 0.030 . 1 . . . . A 37 ILE HG22 . 36329 1 455 . 1 . 1 37 37 ILE HG23 H 1 0.960 0.030 . 1 . . . . A 37 ILE HG23 . 36329 1 456 . 1 . 1 37 37 ILE HD11 H 1 0.738 0.030 . 1 . . . . A 37 ILE HD11 . 36329 1 457 . 1 . 1 37 37 ILE HD12 H 1 0.738 0.030 . 1 . . . . A 37 ILE HD12 . 36329 1 458 . 1 . 1 37 37 ILE HD13 H 1 0.738 0.030 . 1 . . . . A 37 ILE HD13 . 36329 1 459 . 1 . 1 37 37 ILE C C 13 174.572 0.300 . 1 . . . . A 37 ILE C . 36329 1 460 . 1 . 1 37 37 ILE CA C 13 59.955 0.300 . 1 . . . . A 37 ILE CA . 36329 1 461 . 1 . 1 37 37 ILE CB C 13 40.890 0.300 . 1 . . . . A 37 ILE CB . 36329 1 462 . 1 . 1 37 37 ILE CG1 C 13 28.046 0.300 . 1 . . . . A 37 ILE CG1 . 36329 1 463 . 1 . 1 37 37 ILE CG2 C 13 17.714 0.300 . 1 . . . . A 37 ILE CG2 . 36329 1 464 . 1 . 1 37 37 ILE CD1 C 13 14.330 0.300 . 1 . . . . A 37 ILE CD1 . 36329 1 465 . 1 . 1 37 37 ILE N N 15 127.388 0.300 . 1 . . . . A 37 ILE N . 36329 1 466 . 1 . 1 38 38 ILE H H 1 9.140 0.030 . 1 . . . . A 38 ILE H . 36329 1 467 . 1 . 1 38 38 ILE HA H 1 4.866 0.030 . 1 . . . . A 38 ILE HA . 36329 1 468 . 1 . 1 38 38 ILE HB H 1 1.738 0.030 . 1 . . . . A 38 ILE HB . 36329 1 469 . 1 . 1 38 38 ILE HG12 H 1 0.846 0.030 . 2 . . . . A 38 ILE HG12 . 36329 1 470 . 1 . 1 38 38 ILE HG13 H 1 1.728 0.030 . 2 . . . . A 38 ILE HG13 . 36329 1 471 . 1 . 1 38 38 ILE HG21 H 1 0.844 0.030 . 1 . . . . A 38 ILE HG21 . 36329 1 472 . 1 . 1 38 38 ILE HG22 H 1 0.844 0.030 . 1 . . . . A 38 ILE HG22 . 36329 1 473 . 1 . 1 38 38 ILE HG23 H 1 0.844 0.030 . 1 . . . . A 38 ILE HG23 . 36329 1 474 . 1 . 1 38 38 ILE HD11 H 1 0.769 0.030 . 1 . . . . A 38 ILE HD11 . 36329 1 475 . 1 . 1 38 38 ILE HD12 H 1 0.769 0.030 . 1 . . . . A 38 ILE HD12 . 36329 1 476 . 1 . 1 38 38 ILE HD13 H 1 0.769 0.030 . 1 . . . . A 38 ILE HD13 . 36329 1 477 . 1 . 1 38 38 ILE C C 13 174.210 0.300 . 1 . . . . A 38 ILE C . 36329 1 478 . 1 . 1 38 38 ILE CA C 13 60.699 0.300 . 1 . . . . A 38 ILE CA . 36329 1 479 . 1 . 1 38 38 ILE CB C 13 40.558 0.300 . 1 . . . . A 38 ILE CB . 36329 1 480 . 1 . 1 38 38 ILE CG1 C 13 27.565 0.300 . 1 . . . . A 38 ILE CG1 . 36329 1 481 . 1 . 1 38 38 ILE CG2 C 13 18.745 0.300 . 1 . . . . A 38 ILE CG2 . 36329 1 482 . 1 . 1 38 38 ILE CD1 C 13 14.409 0.300 . 1 . . . . A 38 ILE CD1 . 36329 1 483 . 1 . 1 38 38 ILE N N 15 125.951 0.300 . 1 . . . . A 38 ILE N . 36329 1 484 . 1 . 1 39 39 ILE H H 1 9.268 0.030 . 1 . . . . A 39 ILE H . 36329 1 485 . 1 . 1 39 39 ILE HA H 1 5.139 0.030 . 1 . . . . A 39 ILE HA . 36329 1 486 . 1 . 1 39 39 ILE HB H 1 1.830 0.030 . 1 . . . . A 39 ILE HB . 36329 1 487 . 1 . 1 39 39 ILE HG12 H 1 0.832 0.030 . 2 . . . . A 39 ILE HG12 . 36329 1 488 . 1 . 1 39 39 ILE HG13 H 1 1.662 0.030 . 2 . . . . A 39 ILE HG13 . 36329 1 489 . 1 . 1 39 39 ILE HG21 H 1 0.781 0.030 . 1 . . . . A 39 ILE HG21 . 36329 1 490 . 1 . 1 39 39 ILE HG22 H 1 0.781 0.030 . 1 . . . . A 39 ILE HG22 . 36329 1 491 . 1 . 1 39 39 ILE HG23 H 1 0.781 0.030 . 1 . . . . A 39 ILE HG23 . 36329 1 492 . 1 . 1 39 39 ILE HD11 H 1 0.713 0.030 . 1 . . . . A 39 ILE HD11 . 36329 1 493 . 1 . 1 39 39 ILE HD12 H 1 0.713 0.030 . 1 . . . . A 39 ILE HD12 . 36329 1 494 . 1 . 1 39 39 ILE HD13 H 1 0.713 0.030 . 1 . . . . A 39 ILE HD13 . 36329 1 495 . 1 . 1 39 39 ILE C C 13 175.606 0.300 . 1 . . . . A 39 ILE C . 36329 1 496 . 1 . 1 39 39 ILE CA C 13 60.077 0.300 . 1 . . . . A 39 ILE CA . 36329 1 497 . 1 . 1 39 39 ILE CB C 13 40.614 0.300 . 1 . . . . A 39 ILE CB . 36329 1 498 . 1 . 1 39 39 ILE CG1 C 13 27.703 0.300 . 1 . . . . A 39 ILE CG1 . 36329 1 499 . 1 . 1 39 39 ILE CG2 C 13 18.414 0.300 . 1 . . . . A 39 ILE CG2 . 36329 1 500 . 1 . 1 39 39 ILE CD1 C 13 13.865 0.300 . 1 . . . . A 39 ILE CD1 . 36329 1 501 . 1 . 1 39 39 ILE N N 15 126.348 0.300 . 1 . . . . A 39 ILE N . 36329 1 502 . 1 . 1 40 40 SER H H 1 8.667 0.030 . 1 . . . . A 40 SER H . 36329 1 503 . 1 . 1 40 40 SER HA H 1 5.107 0.030 . 1 . . . . A 40 SER HA . 36329 1 504 . 1 . 1 40 40 SER HB2 H 1 3.564 0.030 . 2 . . . . A 40 SER HB2 . 36329 1 505 . 1 . 1 40 40 SER HB3 H 1 4.098 0.030 . 2 . . . . A 40 SER HB3 . 36329 1 506 . 1 . 1 40 40 SER C C 13 174.193 0.300 . 1 . . . . A 40 SER C . 36329 1 507 . 1 . 1 40 40 SER CA C 13 57.034 0.300 . 1 . . . . A 40 SER CA . 36329 1 508 . 1 . 1 40 40 SER CB C 13 65.634 0.300 . 1 . . . . A 40 SER CB . 36329 1 509 . 1 . 1 40 40 SER N N 15 118.876 0.300 . 1 . . . . A 40 SER N . 36329 1 510 . 1 . 1 41 41 ARG H H 1 8.662 0.030 . 1 . . . . A 41 ARG H . 36329 1 511 . 1 . 1 41 41 ARG HA H 1 4.558 0.030 . 1 . . . . A 41 ARG HA . 36329 1 512 . 1 . 1 41 41 ARG HB2 H 1 2.143 0.030 . 1 . . . . A 41 ARG HB2 . 36329 1 513 . 1 . 1 41 41 ARG HB3 H 1 2.143 0.030 . 1 . . . . A 41 ARG HB3 . 36329 1 514 . 1 . 1 41 41 ARG HD2 H 1 3.350 0.030 . 1 . . . . A 41 ARG HD2 . 36329 1 515 . 1 . 1 41 41 ARG HD3 H 1 3.350 0.030 . 1 . . . . A 41 ARG HD3 . 36329 1 516 . 1 . 1 41 41 ARG C C 13 176.279 0.300 . 1 . . . . A 41 ARG C . 36329 1 517 . 1 . 1 41 41 ARG CA C 13 58.415 0.300 . 1 . . . . A 41 ARG CA . 36329 1 518 . 1 . 1 41 41 ARG CB C 13 31.474 0.300 . 1 . . . . A 41 ARG CB . 36329 1 519 . 1 . 1 41 41 ARG CG C 13 28.029 0.300 . 1 . . . . A 41 ARG CG . 36329 1 520 . 1 . 1 41 41 ARG CD C 13 43.270 0.300 . 1 . . . . A 41 ARG CD . 36329 1 521 . 1 . 1 41 41 ARG N N 15 121.544 0.300 . 1 . . . . A 41 ARG N . 36329 1 522 . 1 . 1 42 42 THR H H 1 7.816 0.030 . 1 . . . . A 42 THR H . 36329 1 523 . 1 . 1 42 42 THR HA H 1 5.123 0.030 . 1 . . . . A 42 THR HA . 36329 1 524 . 1 . 1 42 42 THR HB H 1 4.645 0.030 . 1 . . . . A 42 THR HB . 36329 1 525 . 1 . 1 42 42 THR HG21 H 1 1.360 0.030 . 1 . . . . A 42 THR HG21 . 36329 1 526 . 1 . 1 42 42 THR HG22 H 1 1.360 0.030 . 1 . . . . A 42 THR HG22 . 36329 1 527 . 1 . 1 42 42 THR HG23 H 1 1.360 0.030 . 1 . . . . A 42 THR HG23 . 36329 1 528 . 1 . 1 42 42 THR CA C 13 58.593 0.300 . 1 . . . . A 42 THR CA . 36329 1 529 . 1 . 1 42 42 THR CB C 13 70.477 0.300 . 1 . . . . A 42 THR CB . 36329 1 530 . 1 . 1 42 42 THR CG2 C 13 22.356 0.300 . 1 . . . . A 42 THR CG2 . 36329 1 531 . 1 . 1 42 42 THR N N 15 107.798 0.300 . 1 . . . . A 42 THR N . 36329 1 532 . 1 . 1 43 43 PRO HA H 1 4.295 0.030 . 1 . . . . A 43 PRO HA . 36329 1 533 . 1 . 1 43 43 PRO HB2 H 1 2.427 0.030 . 1 . . . . A 43 PRO HB2 . 36329 1 534 . 1 . 1 43 43 PRO HB3 H 1 2.427 0.030 . 1 . . . . A 43 PRO HB3 . 36329 1 535 . 1 . 1 43 43 PRO HG2 H 1 2.249 0.030 . 1 . . . . A 43 PRO HG2 . 36329 1 536 . 1 . 1 43 43 PRO HG3 H 1 2.249 0.030 . 1 . . . . A 43 PRO HG3 . 36329 1 537 . 1 . 1 43 43 PRO HD2 H 1 3.947 0.030 . 2 . . . . A 43 PRO HD2 . 36329 1 538 . 1 . 1 43 43 PRO HD3 H 1 4.089 0.030 . 2 . . . . A 43 PRO HD3 . 36329 1 539 . 1 . 1 43 43 PRO C C 13 179.215 0.300 . 1 . . . . A 43 PRO C . 36329 1 540 . 1 . 1 43 43 PRO CA C 13 65.050 0.300 . 1 . . . . A 43 PRO CA . 36329 1 541 . 1 . 1 43 43 PRO CB C 13 31.828 0.300 . 1 . . . . A 43 PRO CB . 36329 1 542 . 1 . 1 43 43 PRO CG C 13 27.559 0.300 . 1 . . . . A 43 PRO CG . 36329 1 543 . 1 . 1 43 43 PRO CD C 13 51.297 0.300 . 1 . . . . A 43 PRO CD . 36329 1 544 . 1 . 1 44 44 GLU H H 1 8.948 0.030 . 1 . . . . A 44 GLU H . 36329 1 545 . 1 . 1 44 44 GLU HA H 1 4.149 0.030 . 1 . . . . A 44 GLU HA . 36329 1 546 . 1 . 1 44 44 GLU HB2 H 1 2.127 0.030 . 2 . . . . A 44 GLU HB2 . 36329 1 547 . 1 . 1 44 44 GLU HB3 H 1 1.988 0.030 . 2 . . . . A 44 GLU HB3 . 36329 1 548 . 1 . 1 44 44 GLU C C 13 179.189 0.300 . 1 . . . . A 44 GLU C . 36329 1 549 . 1 . 1 44 44 GLU CA C 13 60.087 0.300 . 1 . . . . A 44 GLU CA . 36329 1 550 . 1 . 1 44 44 GLU CB C 13 28.909 0.300 . 1 . . . . A 44 GLU CB . 36329 1 551 . 1 . 1 44 44 GLU N N 15 118.366 0.300 . 1 . . . . A 44 GLU N . 36329 1 552 . 1 . 1 45 45 GLN H H 1 7.604 0.030 . 1 . . . . A 45 GLN H . 36329 1 553 . 1 . 1 45 45 GLN HA H 1 4.159 0.030 . 1 . . . . A 45 GLN HA . 36329 1 554 . 1 . 1 45 45 GLN HB2 H 1 2.230 0.030 . 1 . . . . A 45 GLN HB2 . 36329 1 555 . 1 . 1 45 45 GLN HB3 H 1 2.230 0.030 . 1 . . . . A 45 GLN HB3 . 36329 1 556 . 1 . 1 45 45 GLN HE21 H 1 7.117 0.030 . 2 . . . . A 45 GLN HE21 . 36329 1 557 . 1 . 1 45 45 GLN HE22 H 1 7.458 0.030 . 2 . . . . A 45 GLN HE22 . 36329 1 558 . 1 . 1 45 45 GLN C C 13 178.192 0.300 . 1 . . . . A 45 GLN C . 36329 1 559 . 1 . 1 45 45 GLN CA C 13 58.226 0.300 . 1 . . . . A 45 GLN CA . 36329 1 560 . 1 . 1 45 45 GLN CB C 13 29.414 0.300 . 1 . . . . A 45 GLN CB . 36329 1 561 . 1 . 1 45 45 GLN CG C 13 34.380 0.300 . 1 . . . . A 45 GLN CG . 36329 1 562 . 1 . 1 45 45 GLN N N 15 118.572 0.300 . 1 . . . . A 45 GLN N . 36329 1 563 . 1 . 1 45 45 GLN NE2 N 15 111.317 0.300 . 1 . . . . A 45 GLN NE2 . 36329 1 564 . 1 . 1 46 46 LEU H H 1 7.665 0.030 . 1 . . . . A 46 LEU H . 36329 1 565 . 1 . 1 46 46 LEU HA H 1 3.932 0.030 . 1 . . . . A 46 LEU HA . 36329 1 566 . 1 . 1 46 46 LEU HB2 H 1 1.826 0.030 . 1 . . . . A 46 LEU HB2 . 36329 1 567 . 1 . 1 46 46 LEU HB3 H 1 1.826 0.030 . 1 . . . . A 46 LEU HB3 . 36329 1 568 . 1 . 1 46 46 LEU HG H 1 1.669 0.030 . 1 . . . . A 46 LEU HG . 36329 1 569 . 1 . 1 46 46 LEU HD11 H 1 0.855 0.030 . 2 . . . . A 46 LEU HD11 . 36329 1 570 . 1 . 1 46 46 LEU HD12 H 1 0.855 0.030 . 2 . . . . A 46 LEU HD12 . 36329 1 571 . 1 . 1 46 46 LEU HD13 H 1 0.855 0.030 . 2 . . . . A 46 LEU HD13 . 36329 1 572 . 1 . 1 46 46 LEU HD21 H 1 0.829 0.030 . 2 . . . . A 46 LEU HD21 . 36329 1 573 . 1 . 1 46 46 LEU HD22 H 1 0.829 0.030 . 2 . . . . A 46 LEU HD22 . 36329 1 574 . 1 . 1 46 46 LEU HD23 H 1 0.829 0.030 . 2 . . . . A 46 LEU HD23 . 36329 1 575 . 1 . 1 46 46 LEU C C 13 178.145 0.300 . 1 . . . . A 46 LEU C . 36329 1 576 . 1 . 1 46 46 LEU CA C 13 58.354 0.300 . 1 . . . . A 46 LEU CA . 36329 1 577 . 1 . 1 46 46 LEU CB C 13 41.619 0.300 . 1 . . . . A 46 LEU CB . 36329 1 578 . 1 . 1 46 46 LEU CG C 13 26.940 0.300 . 1 . . . . A 46 LEU CG . 36329 1 579 . 1 . 1 46 46 LEU CD1 C 13 24.168 0.300 . 2 . . . . A 46 LEU CD1 . 36329 1 580 . 1 . 1 46 46 LEU CD2 C 13 24.907 0.300 . 2 . . . . A 46 LEU CD2 . 36329 1 581 . 1 . 1 46 46 LEU N N 15 119.686 0.300 . 1 . . . . A 46 LEU N . 36329 1 582 . 1 . 1 47 47 GLU H H 1 7.991 0.030 . 1 . . . . A 47 GLU H . 36329 1 583 . 1 . 1 47 47 GLU HA H 1 4.037 0.030 . 1 . . . . A 47 GLU HA . 36329 1 584 . 1 . 1 47 47 GLU HB2 H 1 2.095 0.030 . 1 . . . . A 47 GLU HB2 . 36329 1 585 . 1 . 1 47 47 GLU HB3 H 1 2.095 0.030 . 1 . . . . A 47 GLU HB3 . 36329 1 586 . 1 . 1 47 47 GLU HG2 H 1 2.243 0.030 . 2 . . . . A 47 GLU HG2 . 36329 1 587 . 1 . 1 47 47 GLU HG3 H 1 2.378 0.030 . 2 . . . . A 47 GLU HG3 . 36329 1 588 . 1 . 1 47 47 GLU C C 13 178.707 0.300 . 1 . . . . A 47 GLU C . 36329 1 589 . 1 . 1 47 47 GLU CA C 13 59.610 0.300 . 1 . . . . A 47 GLU CA . 36329 1 590 . 1 . 1 47 47 GLU CB C 13 29.392 0.300 . 1 . . . . A 47 GLU CB . 36329 1 591 . 1 . 1 47 47 GLU CG C 13 36.085 0.300 . 1 . . . . A 47 GLU CG . 36329 1 592 . 1 . 1 47 47 GLU N N 15 118.587 0.300 . 1 . . . . A 47 GLU N . 36329 1 593 . 1 . 1 48 48 LYS H H 1 7.475 0.030 . 1 . . . . A 48 LYS H . 36329 1 594 . 1 . 1 48 48 LYS HA H 1 3.986 0.030 . 1 . . . . A 48 LYS HA . 36329 1 595 . 1 . 1 48 48 LYS HB2 H 1 1.889 0.030 . 1 . . . . A 48 LYS HB2 . 36329 1 596 . 1 . 1 48 48 LYS HB3 H 1 1.889 0.030 . 1 . . . . A 48 LYS HB3 . 36329 1 597 . 1 . 1 48 48 LYS HG2 H 1 1.425 0.030 . 1 . . . . A 48 LYS HG2 . 36329 1 598 . 1 . 1 48 48 LYS HG3 H 1 1.425 0.030 . 1 . . . . A 48 LYS HG3 . 36329 1 599 . 1 . 1 48 48 LYS HE2 H 1 2.984 0.030 . 1 . . . . A 48 LYS HE2 . 36329 1 600 . 1 . 1 48 48 LYS HE3 H 1 2.984 0.030 . 1 . . . . A 48 LYS HE3 . 36329 1 601 . 1 . 1 48 48 LYS C C 13 179.318 0.300 . 1 . . . . A 48 LYS C . 36329 1 602 . 1 . 1 48 48 LYS CA C 13 59.438 0.300 . 1 . . . . A 48 LYS CA . 36329 1 603 . 1 . 1 48 48 LYS CB C 13 32.614 0.300 . 1 . . . . A 48 LYS CB . 36329 1 604 . 1 . 1 48 48 LYS CG C 13 25.270 0.300 . 1 . . . . A 48 LYS CG . 36329 1 605 . 1 . 1 48 48 LYS CE C 13 42.205 0.300 . 1 . . . . A 48 LYS CE . 36329 1 606 . 1 . 1 48 48 LYS N N 15 118.035 0.300 . 1 . . . . A 48 LYS N . 36329 1 607 . 1 . 1 49 49 LEU H H 1 8.038 0.030 . 1 . . . . A 49 LEU H . 36329 1 608 . 1 . 1 49 49 LEU HA H 1 4.036 0.030 . 1 . . . . A 49 LEU HA . 36329 1 609 . 1 . 1 49 49 LEU HB2 H 1 1.201 0.030 . 2 . . . . A 49 LEU HB2 . 36329 1 610 . 1 . 1 49 49 LEU HB3 H 1 1.761 0.030 . 2 . . . . A 49 LEU HB3 . 36329 1 611 . 1 . 1 49 49 LEU HG H 1 1.550 0.030 . 1 . . . . A 49 LEU HG . 36329 1 612 . 1 . 1 49 49 LEU HD11 H 1 0.349 0.030 . 2 . . . . A 49 LEU HD11 . 36329 1 613 . 1 . 1 49 49 LEU HD12 H 1 0.349 0.030 . 2 . . . . A 49 LEU HD12 . 36329 1 614 . 1 . 1 49 49 LEU HD13 H 1 0.349 0.030 . 2 . . . . A 49 LEU HD13 . 36329 1 615 . 1 . 1 49 49 LEU HD21 H 1 0.371 0.030 . 2 . . . . A 49 LEU HD21 . 36329 1 616 . 1 . 1 49 49 LEU HD22 H 1 0.371 0.030 . 2 . . . . A 49 LEU HD22 . 36329 1 617 . 1 . 1 49 49 LEU HD23 H 1 0.371 0.030 . 2 . . . . A 49 LEU HD23 . 36329 1 618 . 1 . 1 49 49 LEU C C 13 178.712 0.300 . 1 . . . . A 49 LEU C . 36329 1 619 . 1 . 1 49 49 LEU CA C 13 57.430 0.300 . 1 . . . . A 49 LEU CA . 36329 1 620 . 1 . 1 49 49 LEU CB C 13 42.967 0.300 . 1 . . . . A 49 LEU CB . 36329 1 621 . 1 . 1 49 49 LEU CG C 13 26.790 0.300 . 1 . . . . A 49 LEU CG . 36329 1 622 . 1 . 1 49 49 LEU CD1 C 13 22.597 0.300 . 2 . . . . A 49 LEU CD1 . 36329 1 623 . 1 . 1 49 49 LEU CD2 C 13 25.694 0.300 . 2 . . . . A 49 LEU CD2 . 36329 1 624 . 1 . 1 49 49 LEU N N 15 119.635 0.300 . 1 . . . . A 49 LEU N . 36329 1 625 . 1 . 1 50 50 SER H H 1 8.699 0.030 . 1 . . . . A 50 SER H . 36329 1 626 . 1 . 1 50 50 SER HA H 1 3.838 0.030 . 1 . . . . A 50 SER HA . 36329 1 627 . 1 . 1 50 50 SER HB2 H 1 3.847 0.030 . 1 . . . . A 50 SER HB2 . 36329 1 628 . 1 . 1 50 50 SER HB3 H 1 3.847 0.030 . 1 . . . . A 50 SER HB3 . 36329 1 629 . 1 . 1 50 50 SER C C 13 176.700 0.300 . 1 . . . . A 50 SER C . 36329 1 630 . 1 . 1 50 50 SER CA C 13 62.032 0.300 . 1 . . . . A 50 SER CA . 36329 1 631 . 1 . 1 50 50 SER CB C 13 62.696 0.300 . 1 . . . . A 50 SER CB . 36329 1 632 . 1 . 1 50 50 SER N N 15 114.942 0.300 . 1 . . . . A 50 SER N . 36329 1 633 . 1 . 1 51 51 ARG H H 1 7.661 0.030 . 1 . . . . A 51 ARG H . 36329 1 634 . 1 . 1 51 51 ARG HA H 1 3.977 0.030 . 1 . . . . A 51 ARG HA . 36329 1 635 . 1 . 1 51 51 ARG HD2 H 1 3.227 0.030 . 1 . . . . A 51 ARG HD2 . 36329 1 636 . 1 . 1 51 51 ARG HD3 H 1 3.227 0.030 . 1 . . . . A 51 ARG HD3 . 36329 1 637 . 1 . 1 51 51 ARG HE H 1 7.658 0.030 . 1 . . . . A 51 ARG HE . 36329 1 638 . 1 . 1 51 51 ARG C C 13 178.894 0.300 . 1 . . . . A 51 ARG C . 36329 1 639 . 1 . 1 51 51 ARG CA C 13 59.678 0.300 . 1 . . . . A 51 ARG CA . 36329 1 640 . 1 . 1 51 51 ARG CB C 13 30.002 0.300 . 1 . . . . A 51 ARG CB . 36329 1 641 . 1 . 1 51 51 ARG CG C 13 27.820 0.300 . 1 . . . . A 51 ARG CG . 36329 1 642 . 1 . 1 51 51 ARG CD C 13 43.479 0.300 . 1 . . . . A 51 ARG CD . 36329 1 643 . 1 . 1 51 51 ARG N N 15 118.761 0.300 . 1 . . . . A 51 ARG N . 36329 1 644 . 1 . 1 52 52 GLN H H 1 7.563 0.030 . 1 . . . . A 52 GLN H . 36329 1 645 . 1 . 1 52 52 GLN HA H 1 4.143 0.030 . 1 . . . . A 52 GLN HA . 36329 1 646 . 1 . 1 52 52 GLN HB2 H 1 2.236 0.030 . 1 . . . . A 52 GLN HB2 . 36329 1 647 . 1 . 1 52 52 GLN HB3 H 1 2.236 0.030 . 1 . . . . A 52 GLN HB3 . 36329 1 648 . 1 . 1 52 52 GLN HG2 H 1 2.528 0.030 . 2 . . . . A 52 GLN HG2 . 36329 1 649 . 1 . 1 52 52 GLN HG3 H 1 2.301 0.030 . 2 . . . . A 52 GLN HG3 . 36329 1 650 . 1 . 1 52 52 GLN HE21 H 1 7.194 0.030 . 2 . . . . A 52 GLN HE21 . 36329 1 651 . 1 . 1 52 52 GLN HE22 H 1 6.698 0.030 . 2 . . . . A 52 GLN HE22 . 36329 1 652 . 1 . 1 52 52 GLN C C 13 178.809 0.300 . 1 . . . . A 52 GLN C . 36329 1 653 . 1 . 1 52 52 GLN CA C 13 58.755 0.300 . 1 . . . . A 52 GLN CA . 36329 1 654 . 1 . 1 52 52 GLN CB C 13 29.339 0.300 . 1 . . . . A 52 GLN CB . 36329 1 655 . 1 . 1 52 52 GLN CG C 13 34.364 0.300 . 1 . . . . A 52 GLN CG . 36329 1 656 . 1 . 1 52 52 GLN N N 15 116.922 0.300 . 1 . . . . A 52 GLN N . 36329 1 657 . 1 . 1 52 52 GLN NE2 N 15 109.368 0.300 . 1 . . . . A 52 GLN NE2 . 36329 1 658 . 1 . 1 53 53 VAL H H 1 8.278 0.030 . 1 . . . . A 53 VAL H . 36329 1 659 . 1 . 1 53 53 VAL HA H 1 3.955 0.030 . 1 . . . . A 53 VAL HA . 36329 1 660 . 1 . 1 53 53 VAL HB H 1 2.256 0.030 . 1 . . . . A 53 VAL HB . 36329 1 661 . 1 . 1 53 53 VAL HG11 H 1 1.062 0.030 . 2 . . . . A 53 VAL HG11 . 36329 1 662 . 1 . 1 53 53 VAL HG12 H 1 1.062 0.030 . 2 . . . . A 53 VAL HG12 . 36329 1 663 . 1 . 1 53 53 VAL HG13 H 1 1.062 0.030 . 2 . . . . A 53 VAL HG13 . 36329 1 664 . 1 . 1 53 53 VAL HG21 H 1 1.029 0.030 . 2 . . . . A 53 VAL HG21 . 36329 1 665 . 1 . 1 53 53 VAL HG22 H 1 1.029 0.030 . 2 . . . . A 53 VAL HG22 . 36329 1 666 . 1 . 1 53 53 VAL HG23 H 1 1.029 0.030 . 2 . . . . A 53 VAL HG23 . 36329 1 667 . 1 . 1 53 53 VAL C C 13 178.401 0.300 . 1 . . . . A 53 VAL C . 36329 1 668 . 1 . 1 53 53 VAL CA C 13 65.104 0.300 . 1 . . . . A 53 VAL CA . 36329 1 669 . 1 . 1 53 53 VAL CB C 13 31.535 0.300 . 1 . . . . A 53 VAL CB . 36329 1 670 . 1 . 1 53 53 VAL CG1 C 13 22.371 0.300 . 2 . . . . A 53 VAL CG1 . 36329 1 671 . 1 . 1 53 53 VAL CG2 C 13 22.870 0.300 . 2 . . . . A 53 VAL CG2 . 36329 1 672 . 1 . 1 53 53 VAL N N 15 114.747 0.300 . 1 . . . . A 53 VAL N . 36329 1 673 . 1 . 1 54 54 LYS H H 1 8.336 0.030 . 1 . . . . A 54 LYS H . 36329 1 674 . 1 . 1 54 54 LYS HA H 1 4.008 0.030 . 1 . . . . A 54 LYS HA . 36329 1 675 . 1 . 1 54 54 LYS HB2 H 1 1.847 0.030 . 2 . . . . A 54 LYS HB2 . 36329 1 676 . 1 . 1 54 54 LYS HB3 H 1 2.025 0.030 . 2 . . . . A 54 LYS HB3 . 36329 1 677 . 1 . 1 54 54 LYS HG2 H 1 1.486 0.030 . 1 . . . . A 54 LYS HG2 . 36329 1 678 . 1 . 1 54 54 LYS HG3 H 1 1.486 0.030 . 1 . . . . A 54 LYS HG3 . 36329 1 679 . 1 . 1 54 54 LYS HD2 H 1 1.486 0.030 . 1 . . . . A 54 LYS HD2 . 36329 1 680 . 1 . 1 54 54 LYS HD3 H 1 1.486 0.030 . 1 . . . . A 54 LYS HD3 . 36329 1 681 . 1 . 1 54 54 LYS C C 13 179.309 0.300 . 1 . . . . A 54 LYS C . 36329 1 682 . 1 . 1 54 54 LYS CA C 13 59.753 0.300 . 1 . . . . A 54 LYS CA . 36329 1 683 . 1 . 1 54 54 LYS CB C 13 32.230 0.300 . 1 . . . . A 54 LYS CB . 36329 1 684 . 1 . 1 54 54 LYS CG C 13 25.583 0.300 . 1 . . . . A 54 LYS CG . 36329 1 685 . 1 . 1 54 54 LYS CD C 13 25.706 0.300 . 1 . . . . A 54 LYS CD . 36329 1 686 . 1 . 1 54 54 LYS CE C 13 42.063 0.300 . 1 . . . . A 54 LYS CE . 36329 1 687 . 1 . 1 54 54 LYS N N 15 122.207 0.300 . 1 . . . . A 54 LYS N . 36329 1 688 . 1 . 1 55 55 GLU H H 1 7.699 0.030 . 1 . . . . A 55 GLU H . 36329 1 689 . 1 . 1 55 55 GLU HA H 1 4.181 0.030 . 1 . . . . A 55 GLU HA . 36329 1 690 . 1 . 1 55 55 GLU HB2 H 1 2.125 0.030 . 1 . . . . A 55 GLU HB2 . 36329 1 691 . 1 . 1 55 55 GLU HB3 H 1 2.125 0.030 . 1 . . . . A 55 GLU HB3 . 36329 1 692 . 1 . 1 55 55 GLU HG2 H 1 2.309 0.030 . 2 . . . . A 55 GLU HG2 . 36329 1 693 . 1 . 1 55 55 GLU HG3 H 1 2.464 0.030 . 2 . . . . A 55 GLU HG3 . 36329 1 694 . 1 . 1 55 55 GLU C C 13 177.710 0.300 . 1 . . . . A 55 GLU C . 36329 1 695 . 1 . 1 55 55 GLU CA C 13 58.174 0.300 . 1 . . . . A 55 GLU CA . 36329 1 696 . 1 . 1 55 55 GLU CB C 13 29.451 0.300 . 1 . . . . A 55 GLU CB . 36329 1 697 . 1 . 1 55 55 GLU CG C 13 36.521 0.300 . 1 . . . . A 55 GLU CG . 36329 1 698 . 1 . 1 55 55 GLU N N 15 117.391 0.300 . 1 . . . . A 55 GLU N . 36329 1 699 . 1 . 1 56 56 LEU H H 1 7.534 0.030 . 1 . . . . A 56 LEU H . 36329 1 700 . 1 . 1 56 56 LEU HA H 1 4.185 0.030 . 1 . . . . A 56 LEU HA . 36329 1 701 . 1 . 1 56 56 LEU HB2 H 1 1.352 0.030 . 2 . . . . A 56 LEU HB2 . 36329 1 702 . 1 . 1 56 56 LEU HB3 H 1 1.862 0.030 . 2 . . . . A 56 LEU HB3 . 36329 1 703 . 1 . 1 56 56 LEU HG H 1 1.747 0.030 . 1 . . . . A 56 LEU HG . 36329 1 704 . 1 . 1 56 56 LEU HD11 H 1 0.688 0.030 . 2 . . . . A 56 LEU HD11 . 36329 1 705 . 1 . 1 56 56 LEU HD12 H 1 0.688 0.030 . 2 . . . . A 56 LEU HD12 . 36329 1 706 . 1 . 1 56 56 LEU HD13 H 1 0.688 0.030 . 2 . . . . A 56 LEU HD13 . 36329 1 707 . 1 . 1 56 56 LEU HD21 H 1 0.710 0.030 . 2 . . . . A 56 LEU HD21 . 36329 1 708 . 1 . 1 56 56 LEU HD22 H 1 0.710 0.030 . 2 . . . . A 56 LEU HD22 . 36329 1 709 . 1 . 1 56 56 LEU HD23 H 1 0.710 0.030 . 2 . . . . A 56 LEU HD23 . 36329 1 710 . 1 . 1 56 56 LEU C C 13 177.544 0.300 . 1 . . . . A 56 LEU C . 36329 1 711 . 1 . 1 56 56 LEU CA C 13 55.762 0.300 . 1 . . . . A 56 LEU CA . 36329 1 712 . 1 . 1 56 56 LEU CB C 13 42.253 0.300 . 1 . . . . A 56 LEU CB . 36329 1 713 . 1 . 1 56 56 LEU CG C 13 26.855 0.300 . 1 . . . . A 56 LEU CG . 36329 1 714 . 1 . 1 56 56 LEU CD1 C 13 22.708 0.300 . 2 . . . . A 56 LEU CD1 . 36329 1 715 . 1 . 1 56 56 LEU CD2 C 13 26.058 0.300 . 2 . . . . A 56 LEU CD2 . 36329 1 716 . 1 . 1 56 56 LEU N N 15 117.584 0.300 . 1 . . . . A 56 LEU N . 36329 1 717 . 1 . 1 57 57 GLY H H 1 7.772 0.030 . 1 . . . . A 57 GLY H . 36329 1 718 . 1 . 1 57 57 GLY HA2 H 1 3.834 0.030 . 2 . . . . A 57 GLY HA2 . 36329 1 719 . 1 . 1 57 57 GLY HA3 H 1 4.188 0.030 . 2 . . . . A 57 GLY HA3 . 36329 1 720 . 1 . 1 57 57 GLY C C 13 174.507 0.300 . 1 . . . . A 57 GLY C . 36329 1 721 . 1 . 1 57 57 GLY CA C 13 46.259 0.300 . 1 . . . . A 57 GLY CA . 36329 1 722 . 1 . 1 57 57 GLY N N 15 105.941 0.300 . 1 . . . . A 57 GLY N . 36329 1 723 . 1 . 1 58 58 ALA H H 1 8.180 0.030 . 1 . . . . A 58 ALA H . 36329 1 724 . 1 . 1 58 58 ALA HA H 1 4.161 0.030 . 1 . . . . A 58 ALA HA . 36329 1 725 . 1 . 1 58 58 ALA HB1 H 1 1.227 0.030 . 1 . . . . A 58 ALA HB1 . 36329 1 726 . 1 . 1 58 58 ALA HB2 H 1 1.227 0.030 . 1 . . . . A 58 ALA HB2 . 36329 1 727 . 1 . 1 58 58 ALA HB3 H 1 1.227 0.030 . 1 . . . . A 58 ALA HB3 . 36329 1 728 . 1 . 1 58 58 ALA C C 13 176.779 0.300 . 1 . . . . A 58 ALA C . 36329 1 729 . 1 . 1 58 58 ALA CA C 13 52.555 0.300 . 1 . . . . A 58 ALA CA . 36329 1 730 . 1 . 1 58 58 ALA CB C 13 19.721 0.300 . 1 . . . . A 58 ALA CB . 36329 1 731 . 1 . 1 58 58 ALA N N 15 122.167 0.300 . 1 . . . . A 58 ALA N . 36329 1 732 . 1 . 1 59 59 ASP H H 1 8.631 0.030 . 1 . . . . A 59 ASP H . 36329 1 733 . 1 . 1 59 59 ASP HA H 1 4.588 0.030 . 1 . . . . A 59 ASP HA . 36329 1 734 . 1 . 1 59 59 ASP HB2 H 1 2.757 0.030 . 1 . . . . A 59 ASP HB2 . 36329 1 735 . 1 . 1 59 59 ASP HB3 H 1 2.757 0.030 . 1 . . . . A 59 ASP HB3 . 36329 1 736 . 1 . 1 59 59 ASP C C 13 176.910 0.300 . 1 . . . . A 59 ASP C . 36329 1 737 . 1 . 1 59 59 ASP CA C 13 57.106 0.300 . 1 . . . . A 59 ASP CA . 36329 1 738 . 1 . 1 59 59 ASP CB C 13 42.518 0.300 . 1 . . . . A 59 ASP CB . 36329 1 739 . 1 . 1 59 59 ASP N N 15 120.855 0.300 . 1 . . . . A 59 ASP N . 36329 1 740 . 1 . 1 60 60 ARG H H 1 7.496 0.030 . 1 . . . . A 60 ARG H . 36329 1 741 . 1 . 1 60 60 ARG HA H 1 4.599 0.030 . 1 . . . . A 60 ARG HA . 36329 1 742 . 1 . 1 60 60 ARG HB2 H 1 1.682 0.030 . 2 . . . . A 60 ARG HB2 . 36329 1 743 . 1 . 1 60 60 ARG HB3 H 1 1.733 0.030 . 2 . . . . A 60 ARG HB3 . 36329 1 744 . 1 . 1 60 60 ARG HG2 H 1 1.471 0.030 . 1 . . . . A 60 ARG HG2 . 36329 1 745 . 1 . 1 60 60 ARG HG3 H 1 1.471 0.030 . 1 . . . . A 60 ARG HG3 . 36329 1 746 . 1 . 1 60 60 ARG HD2 H 1 3.201 0.030 . 2 . . . . A 60 ARG HD2 . 36329 1 747 . 1 . 1 60 60 ARG HD3 H 1 3.402 0.030 . 2 . . . . A 60 ARG HD3 . 36329 1 748 . 1 . 1 60 60 ARG C C 13 172.824 0.300 . 1 . . . . A 60 ARG C . 36329 1 749 . 1 . 1 60 60 ARG CA C 13 54.237 0.300 . 1 . . . . A 60 ARG CA . 36329 1 750 . 1 . 1 60 60 ARG CB C 13 33.569 0.300 . 1 . . . . A 60 ARG CB . 36329 1 751 . 1 . 1 60 60 ARG CG C 13 27.149 0.300 . 1 . . . . A 60 ARG CG . 36329 1 752 . 1 . 1 60 60 ARG CD C 13 42.393 0.300 . 1 . . . . A 60 ARG CD . 36329 1 753 . 1 . 1 60 60 ARG N N 15 115.072 0.300 . 1 . . . . A 60 ARG N . 36329 1 754 . 1 . 1 61 61 LEU H H 1 8.500 0.030 . 1 . . . . A 61 LEU H . 36329 1 755 . 1 . 1 61 61 LEU HA H 1 5.313 0.030 . 1 . . . . A 61 LEU HA . 36329 1 756 . 1 . 1 61 61 LEU HB2 H 1 1.299 0.030 . 2 . . . . A 61 LEU HB2 . 36329 1 757 . 1 . 1 61 61 LEU HB3 H 1 1.678 0.030 . 2 . . . . A 61 LEU HB3 . 36329 1 758 . 1 . 1 61 61 LEU HG H 1 1.428 0.030 . 1 . . . . A 61 LEU HG . 36329 1 759 . 1 . 1 61 61 LEU HD11 H 1 0.823 0.030 . 2 . . . . A 61 LEU HD11 . 36329 1 760 . 1 . 1 61 61 LEU HD12 H 1 0.823 0.030 . 2 . . . . A 61 LEU HD12 . 36329 1 761 . 1 . 1 61 61 LEU HD13 H 1 0.823 0.030 . 2 . . . . A 61 LEU HD13 . 36329 1 762 . 1 . 1 61 61 LEU HD21 H 1 0.824 0.030 . 2 . . . . A 61 LEU HD21 . 36329 1 763 . 1 . 1 61 61 LEU HD22 H 1 0.824 0.030 . 2 . . . . A 61 LEU HD22 . 36329 1 764 . 1 . 1 61 61 LEU HD23 H 1 0.824 0.030 . 2 . . . . A 61 LEU HD23 . 36329 1 765 . 1 . 1 61 61 LEU C C 13 174.833 0.300 . 1 . . . . A 61 LEU C . 36329 1 766 . 1 . 1 61 61 LEU CA C 13 53.995 0.300 . 1 . . . . A 61 LEU CA . 36329 1 767 . 1 . 1 61 61 LEU CB C 13 44.615 0.300 . 1 . . . . A 61 LEU CB . 36329 1 768 . 1 . 1 61 61 LEU CG C 13 28.135 0.300 . 1 . . . . A 61 LEU CG . 36329 1 769 . 1 . 1 61 61 LEU CD1 C 13 26.327 0.300 . 2 . . . . A 61 LEU CD1 . 36329 1 770 . 1 . 1 61 61 LEU CD2 C 13 25.161 0.300 . 2 . . . . A 61 LEU CD2 . 36329 1 771 . 1 . 1 61 61 LEU N N 15 126.585 0.300 . 1 . . . . A 61 LEU N . 36329 1 772 . 1 . 1 62 62 LEU H H 1 9.147 0.030 . 1 . . . . A 62 LEU H . 36329 1 773 . 1 . 1 62 62 LEU HA H 1 4.700 0.030 . 1 . . . . A 62 LEU HA . 36329 1 774 . 1 . 1 62 62 LEU HB2 H 1 1.555 0.030 . 2 . . . . A 62 LEU HB2 . 36329 1 775 . 1 . 1 62 62 LEU HB3 H 1 1.762 0.030 . 2 . . . . A 62 LEU HB3 . 36329 1 776 . 1 . 1 62 62 LEU HG H 1 1.621 0.030 . 1 . . . . A 62 LEU HG . 36329 1 777 . 1 . 1 62 62 LEU HD11 H 1 0.937 0.030 . 2 . . . . A 62 LEU HD11 . 36329 1 778 . 1 . 1 62 62 LEU HD12 H 1 0.937 0.030 . 2 . . . . A 62 LEU HD12 . 36329 1 779 . 1 . 1 62 62 LEU HD13 H 1 0.937 0.030 . 2 . . . . A 62 LEU HD13 . 36329 1 780 . 1 . 1 62 62 LEU HD21 H 1 0.870 0.030 . 2 . . . . A 62 LEU HD21 . 36329 1 781 . 1 . 1 62 62 LEU HD22 H 1 0.870 0.030 . 2 . . . . A 62 LEU HD22 . 36329 1 782 . 1 . 1 62 62 LEU HD23 H 1 0.870 0.030 . 2 . . . . A 62 LEU HD23 . 36329 1 783 . 1 . 1 62 62 LEU C C 13 174.394 0.300 . 1 . . . . A 62 LEU C . 36329 1 784 . 1 . 1 62 62 LEU CA C 13 53.833 0.300 . 1 . . . . A 62 LEU CA . 36329 1 785 . 1 . 1 62 62 LEU CB C 13 44.499 0.300 . 1 . . . . A 62 LEU CB . 36329 1 786 . 1 . 1 62 62 LEU CG C 13 28.124 0.300 . 1 . . . . A 62 LEU CG . 36329 1 787 . 1 . 1 62 62 LEU CD1 C 13 24.822 0.300 . 2 . . . . A 62 LEU CD1 . 36329 1 788 . 1 . 1 62 62 LEU CD2 C 13 25.338 0.300 . 2 . . . . A 62 LEU CD2 . 36329 1 789 . 1 . 1 62 62 LEU N N 15 128.392 0.300 . 1 . . . . A 62 LEU N . 36329 1 790 . 1 . 1 63 63 GLU H H 1 8.061 0.030 . 1 . . . . A 63 GLU H . 36329 1 791 . 1 . 1 63 63 GLU HA H 1 4.887 0.030 . 1 . . . . A 63 GLU HA . 36329 1 792 . 1 . 1 63 63 GLU HB2 H 1 1.807 0.030 . 1 . . . . A 63 GLU HB2 . 36329 1 793 . 1 . 1 63 63 GLU HB3 H 1 1.807 0.030 . 1 . . . . A 63 GLU HB3 . 36329 1 794 . 1 . 1 63 63 GLU HG2 H 1 1.942 0.030 . 1 . . . . A 63 GLU HG2 . 36329 1 795 . 1 . 1 63 63 GLU HG3 H 1 1.942 0.030 . 1 . . . . A 63 GLU HG3 . 36329 1 796 . 1 . 1 63 63 GLU C C 13 174.803 0.300 . 1 . . . . A 63 GLU C . 36329 1 797 . 1 . 1 63 63 GLU CA C 13 54.848 0.300 . 1 . . . . A 63 GLU CA . 36329 1 798 . 1 . 1 63 63 GLU CB C 13 32.937 0.300 . 1 . . . . A 63 GLU CB . 36329 1 799 . 1 . 1 63 63 GLU CG C 13 35.879 0.300 . 1 . . . . A 63 GLU CG . 36329 1 800 . 1 . 1 63 63 GLU N N 15 120.832 0.300 . 1 . . . . A 63 GLU N . 36329 1 801 . 1 . 1 64 64 PHE H H 1 9.100 0.030 . 1 . . . . A 64 PHE H . 36329 1 802 . 1 . 1 64 64 PHE HA H 1 4.788 0.030 . 1 . . . . A 64 PHE HA . 36329 1 803 . 1 . 1 64 64 PHE HB2 H 1 2.732 0.030 . 2 . . . . A 64 PHE HB2 . 36329 1 804 . 1 . 1 64 64 PHE HB3 H 1 2.929 0.030 . 2 . . . . A 64 PHE HB3 . 36329 1 805 . 1 . 1 64 64 PHE HD1 H 1 7.008 0.030 . 1 . . . . A 64 PHE HD1 . 36329 1 806 . 1 . 1 64 64 PHE HD2 H 1 7.008 0.030 . 1 . . . . A 64 PHE HD2 . 36329 1 807 . 1 . 1 64 64 PHE HE1 H 1 7.153 0.030 . 1 . . . . A 64 PHE HE1 . 36329 1 808 . 1 . 1 64 64 PHE HE2 H 1 7.153 0.030 . 1 . . . . A 64 PHE HE2 . 36329 1 809 . 1 . 1 64 64 PHE HZ H 1 7.434 0.030 . 1 . . . . A 64 PHE HZ . 36329 1 810 . 1 . 1 64 64 PHE C C 13 173.467 0.300 . 1 . . . . A 64 PHE C . 36329 1 811 . 1 . 1 64 64 PHE CA C 13 57.124 0.300 . 1 . . . . A 64 PHE CA . 36329 1 812 . 1 . 1 64 64 PHE CB C 13 42.831 0.300 . 1 . . . . A 64 PHE CB . 36329 1 813 . 1 . 1 64 64 PHE CD1 C 13 131.674 0.300 . 1 . . . . A 64 PHE CD1 . 36329 1 814 . 1 . 1 64 64 PHE CD2 C 13 131.674 0.300 . 1 . . . . A 64 PHE CD2 . 36329 1 815 . 1 . 1 64 64 PHE CE1 C 13 130.916 0.300 . 1 . . . . A 64 PHE CE1 . 36329 1 816 . 1 . 1 64 64 PHE CE2 C 13 130.916 0.300 . 1 . . . . A 64 PHE CE2 . 36329 1 817 . 1 . 1 64 64 PHE CZ C 13 129.230 0.300 . 1 . . . . A 64 PHE CZ . 36329 1 818 . 1 . 1 64 64 PHE N N 15 120.302 0.300 . 1 . . . . A 64 PHE N . 36329 1 819 . 1 . 1 65 65 ASN H H 1 9.109 0.030 . 1 . . . . A 65 ASN H . 36329 1 820 . 1 . 1 65 65 ASN HA H 1 5.626 0.030 . 1 . . . . A 65 ASN HA . 36329 1 821 . 1 . 1 65 65 ASN HB2 H 1 2.433 0.030 . 2 . . . . A 65 ASN HB2 . 36329 1 822 . 1 . 1 65 65 ASN HB3 H 1 2.735 0.030 . 2 . . . . A 65 ASN HB3 . 36329 1 823 . 1 . 1 65 65 ASN HD21 H 1 7.308 0.030 . 2 . . . . A 65 ASN HD21 . 36329 1 824 . 1 . 1 65 65 ASN HD22 H 1 7.358 0.030 . 2 . . . . A 65 ASN HD22 . 36329 1 825 . 1 . 1 65 65 ASN C C 13 176.029 0.300 . 1 . . . . A 65 ASN C . 36329 1 826 . 1 . 1 65 65 ASN CA C 13 51.594 0.300 . 1 . . . . A 65 ASN CA . 36329 1 827 . 1 . 1 65 65 ASN CB C 13 41.256 0.300 . 1 . . . . A 65 ASN CB . 36329 1 828 . 1 . 1 65 65 ASN N N 15 120.206 0.300 . 1 . . . . A 65 ASN N . 36329 1 829 . 1 . 1 65 65 ASN ND2 N 15 113.057 0.300 . 1 . . . . A 65 ASN ND2 . 36329 1 830 . 1 . 1 66 66 VAL H H 1 8.524 0.030 . 1 . . . . A 66 VAL H . 36329 1 831 . 1 . 1 66 66 VAL HA H 1 3.353 0.030 . 1 . . . . A 66 VAL HA . 36329 1 832 . 1 . 1 66 66 VAL HB H 1 2.018 0.030 . 1 . . . . A 66 VAL HB . 36329 1 833 . 1 . 1 66 66 VAL HG11 H 1 0.950 0.030 . 2 . . . . A 66 VAL HG11 . 36329 1 834 . 1 . 1 66 66 VAL HG12 H 1 0.950 0.030 . 2 . . . . A 66 VAL HG12 . 36329 1 835 . 1 . 1 66 66 VAL HG13 H 1 0.950 0.030 . 2 . . . . A 66 VAL HG13 . 36329 1 836 . 1 . 1 66 66 VAL HG21 H 1 0.938 0.030 . 2 . . . . A 66 VAL HG21 . 36329 1 837 . 1 . 1 66 66 VAL HG22 H 1 0.938 0.030 . 2 . . . . A 66 VAL HG22 . 36329 1 838 . 1 . 1 66 66 VAL HG23 H 1 0.938 0.030 . 2 . . . . A 66 VAL HG23 . 36329 1 839 . 1 . 1 66 66 VAL CA C 13 65.906 0.300 . 1 . . . . A 66 VAL CA . 36329 1 840 . 1 . 1 66 66 VAL CB C 13 32.369 0.300 . 1 . . . . A 66 VAL CB . 36329 1 841 . 1 . 1 66 66 VAL CG1 C 13 21.240 0.300 . 2 . . . . A 66 VAL CG1 . 36329 1 842 . 1 . 1 66 66 VAL CG2 C 13 22.749 0.300 . 2 . . . . A 66 VAL CG2 . 36329 1 843 . 1 . 1 66 66 VAL N N 15 123.831 0.300 . 1 . . . . A 66 VAL N . 36329 1 844 . 1 . 1 67 67 ASP H H 1 7.871 0.030 . 1 . . . . A 67 ASP H . 36329 1 845 . 1 . 1 67 67 ASP HA H 1 4.558 0.030 . 1 . . . . A 67 ASP HA . 36329 1 846 . 1 . 1 67 67 ASP HB2 H 1 2.847 0.030 . 1 . . . . A 67 ASP HB2 . 36329 1 847 . 1 . 1 67 67 ASP HB3 H 1 2.847 0.030 . 1 . . . . A 67 ASP HB3 . 36329 1 848 . 1 . 1 67 67 ASP C C 13 178.263 0.300 . 1 . . . . A 67 ASP C . 36329 1 849 . 1 . 1 67 67 ASP CA C 13 57.126 0.300 . 1 . . . . A 67 ASP CA . 36329 1 850 . 1 . 1 67 67 ASP CB C 13 41.158 0.300 . 1 . . . . A 67 ASP CB . 36329 1 851 . 1 . 1 67 67 ASP N N 15 116.967 0.300 . 1 . . . . A 67 ASP N . 36329 1 852 . 1 . 1 68 68 GLU H H 1 7.717 0.030 . 1 . . . . A 68 GLU H . 36329 1 853 . 1 . 1 68 68 GLU HA H 1 4.322 0.030 . 1 . . . . A 68 GLU HA . 36329 1 854 . 1 . 1 68 68 GLU HB2 H 1 1.989 0.030 . 2 . . . . A 68 GLU HB2 . 36329 1 855 . 1 . 1 68 68 GLU HB3 H 1 2.177 0.030 . 2 . . . . A 68 GLU HB3 . 36329 1 856 . 1 . 1 68 68 GLU HG2 H 1 2.282 0.030 . 2 . . . . A 68 GLU HG2 . 36329 1 857 . 1 . 1 68 68 GLU HG3 H 1 2.437 0.030 . 2 . . . . A 68 GLU HG3 . 36329 1 858 . 1 . 1 68 68 GLU C C 13 176.939 0.300 . 1 . . . . A 68 GLU C . 36329 1 859 . 1 . 1 68 68 GLU CA C 13 57.383 0.300 . 1 . . . . A 68 GLU CA . 36329 1 860 . 1 . 1 68 68 GLU CB C 13 31.746 0.300 . 1 . . . . A 68 GLU CB . 36329 1 861 . 1 . 1 68 68 GLU CG C 13 36.832 0.300 . 1 . . . . A 68 GLU CG . 36329 1 862 . 1 . 1 68 68 GLU N N 15 116.644 0.300 . 1 . . . . A 68 GLU N . 36329 1 863 . 1 . 1 69 69 ASN H H 1 8.085 0.030 . 1 . . . . A 69 ASN H . 36329 1 864 . 1 . 1 69 69 ASN HA H 1 5.345 0.030 . 1 . . . . A 69 ASN HA . 36329 1 865 . 1 . 1 69 69 ASN HB2 H 1 2.912 0.030 . 2 . . . . A 69 ASN HB2 . 36329 1 866 . 1 . 1 69 69 ASN HB3 H 1 3.266 0.030 . 2 . . . . A 69 ASN HB3 . 36329 1 867 . 1 . 1 69 69 ASN HD21 H 1 7.251 0.030 . 2 . . . . A 69 ASN HD21 . 36329 1 868 . 1 . 1 69 69 ASN HD22 H 1 7.746 0.030 . 2 . . . . A 69 ASN HD22 . 36329 1 869 . 1 . 1 69 69 ASN CA C 13 51.074 0.300 . 1 . . . . A 69 ASN CA . 36329 1 870 . 1 . 1 69 69 ASN CB C 13 39.653 0.300 . 1 . . . . A 69 ASN CB . 36329 1 871 . 1 . 1 69 69 ASN N N 15 114.791 0.300 . 1 . . . . A 69 ASN N . 36329 1 872 . 1 . 1 69 69 ASN ND2 N 15 112.175 0.300 . 1 . . . . A 69 ASN ND2 . 36329 1 873 . 1 . 1 70 70 PRO HA H 1 4.422 0.030 . 1 . . . . A 70 PRO HA . 36329 1 874 . 1 . 1 70 70 PRO HB2 H 1 2.031 0.030 . 2 . . . . A 70 PRO HB2 . 36329 1 875 . 1 . 1 70 70 PRO HB3 H 1 2.537 0.030 . 2 . . . . A 70 PRO HB3 . 36329 1 876 . 1 . 1 70 70 PRO HG2 H 1 2.192 0.030 . 1 . . . . A 70 PRO HG2 . 36329 1 877 . 1 . 1 70 70 PRO HG3 H 1 2.192 0.030 . 1 . . . . A 70 PRO HG3 . 36329 1 878 . 1 . 1 70 70 PRO HD2 H 1 3.481 0.030 . 2 . . . . A 70 PRO HD2 . 36329 1 879 . 1 . 1 70 70 PRO HD3 H 1 3.786 0.030 . 2 . . . . A 70 PRO HD3 . 36329 1 880 . 1 . 1 70 70 PRO C C 13 180.108 0.300 . 1 . . . . A 70 PRO C . 36329 1 881 . 1 . 1 70 70 PRO CA C 13 66.207 0.300 . 1 . . . . A 70 PRO CA . 36329 1 882 . 1 . 1 70 70 PRO CB C 13 31.302 0.300 . 1 . . . . A 70 PRO CB . 36329 1 883 . 1 . 1 70 70 PRO CD C 13 50.439 0.300 . 1 . . . . A 70 PRO CD . 36329 1 884 . 1 . 1 71 71 GLU H H 1 8.424 0.030 . 1 . . . . A 71 GLU H . 36329 1 885 . 1 . 1 71 71 GLU HA H 1 4.102 0.030 . 1 . . . . A 71 GLU HA . 36329 1 886 . 1 . 1 71 71 GLU C C 13 178.893 0.300 . 1 . . . . A 71 GLU C . 36329 1 887 . 1 . 1 71 71 GLU CA C 13 59.830 0.300 . 1 . . . . A 71 GLU CA . 36329 1 888 . 1 . 1 71 71 GLU CB C 13 29.102 0.300 . 1 . . . . A 71 GLU CB . 36329 1 889 . 1 . 1 71 71 GLU N N 15 119.042 0.300 . 1 . . . . A 71 GLU N . 36329 1 890 . 1 . 1 72 72 GLN H H 1 7.898 0.030 . 1 . . . . A 72 GLN H . 36329 1 891 . 1 . 1 72 72 GLN HA H 1 3.916 0.030 . 1 . . . . A 72 GLN HA . 36329 1 892 . 1 . 1 72 72 GLN HB2 H 1 1.651 0.030 . 1 . . . . A 72 GLN HB2 . 36329 1 893 . 1 . 1 72 72 GLN HB3 H 1 1.651 0.030 . 1 . . . . A 72 GLN HB3 . 36329 1 894 . 1 . 1 72 72 GLN HG2 H 1 2.132 0.030 . 2 . . . . A 72 GLN HG2 . 36329 1 895 . 1 . 1 72 72 GLN HG3 H 1 2.232 0.030 . 2 . . . . A 72 GLN HG3 . 36329 1 896 . 1 . 1 72 72 GLN HE21 H 1 6.944 0.030 . 2 . . . . A 72 GLN HE21 . 36329 1 897 . 1 . 1 72 72 GLN HE22 H 1 7.330 0.030 . 2 . . . . A 72 GLN HE22 . 36329 1 898 . 1 . 1 72 72 GLN C C 13 177.844 0.300 . 1 . . . . A 72 GLN C . 36329 1 899 . 1 . 1 72 72 GLN CA C 13 59.158 0.300 . 1 . . . . A 72 GLN CA . 36329 1 900 . 1 . 1 72 72 GLN CB C 13 28.921 0.300 . 1 . . . . A 72 GLN CB . 36329 1 901 . 1 . 1 72 72 GLN CG C 13 33.866 0.300 . 1 . . . . A 72 GLN CG . 36329 1 902 . 1 . 1 72 72 GLN N N 15 119.585 0.300 . 1 . . . . A 72 GLN N . 36329 1 903 . 1 . 1 72 72 GLN NE2 N 15 110.153 0.300 . 1 . . . . A 72 GLN NE2 . 36329 1 904 . 1 . 1 73 73 ALA H H 1 8.034 0.030 . 1 . . . . A 73 ALA H . 36329 1 905 . 1 . 1 73 73 ALA HA H 1 3.685 0.030 . 1 . . . . A 73 ALA HA . 36329 1 906 . 1 . 1 73 73 ALA HB1 H 1 1.390 0.030 . 1 . . . . A 73 ALA HB1 . 36329 1 907 . 1 . 1 73 73 ALA HB2 H 1 1.390 0.030 . 1 . . . . A 73 ALA HB2 . 36329 1 908 . 1 . 1 73 73 ALA HB3 H 1 1.390 0.030 . 1 . . . . A 73 ALA HB3 . 36329 1 909 . 1 . 1 73 73 ALA C C 13 178.281 0.300 . 1 . . . . A 73 ALA C . 36329 1 910 . 1 . 1 73 73 ALA CA C 13 55.635 0.300 . 1 . . . . A 73 ALA CA . 36329 1 911 . 1 . 1 73 73 ALA CB C 13 19.059 0.300 . 1 . . . . A 73 ALA CB . 36329 1 912 . 1 . 1 73 73 ALA N N 15 118.316 0.300 . 1 . . . . A 73 ALA N . 36329 1 913 . 1 . 1 74 74 SER H H 1 7.934 0.030 . 1 . . . . A 74 SER H . 36329 1 914 . 1 . 1 74 74 SER HA H 1 4.008 0.030 . 1 . . . . A 74 SER HA . 36329 1 915 . 1 . 1 74 74 SER HB2 H 1 3.920 0.030 . 2 . . . . A 74 SER HB2 . 36329 1 916 . 1 . 1 74 74 SER HB3 H 1 3.973 0.030 . 2 . . . . A 74 SER HB3 . 36329 1 917 . 1 . 1 74 74 SER C C 13 176.882 0.300 . 1 . . . . A 74 SER C . 36329 1 918 . 1 . 1 74 74 SER CA C 13 62.152 0.300 . 1 . . . . A 74 SER CA . 36329 1 919 . 1 . 1 74 74 SER CB C 13 62.813 0.300 . 1 . . . . A 74 SER CB . 36329 1 920 . 1 . 1 74 74 SER N N 15 110.726 0.300 . 1 . . . . A 74 SER N . 36329 1 921 . 1 . 1 75 75 LYS H H 1 7.791 0.030 . 1 . . . . A 75 LYS H . 36329 1 922 . 1 . 1 75 75 LYS HA H 1 3.958 0.030 . 1 . . . . A 75 LYS HA . 36329 1 923 . 1 . 1 75 75 LYS HB2 H 1 1.823 0.030 . 1 . . . . A 75 LYS HB2 . 36329 1 924 . 1 . 1 75 75 LYS HB3 H 1 1.823 0.030 . 1 . . . . A 75 LYS HB3 . 36329 1 925 . 1 . 1 75 75 LYS HG2 H 1 1.416 0.030 . 2 . . . . A 75 LYS HG2 . 36329 1 926 . 1 . 1 75 75 LYS HG3 H 1 1.597 0.030 . 2 . . . . A 75 LYS HG3 . 36329 1 927 . 1 . 1 75 75 LYS HD2 H 1 1.732 0.030 . 2 . . . . A 75 LYS HD2 . 36329 1 928 . 1 . 1 75 75 LYS HD3 H 1 1.814 0.030 . 2 . . . . A 75 LYS HD3 . 36329 1 929 . 1 . 1 75 75 LYS HE2 H 1 2.920 0.030 . 1 . . . . A 75 LYS HE2 . 36329 1 930 . 1 . 1 75 75 LYS HE3 H 1 2.920 0.030 . 1 . . . . A 75 LYS HE3 . 36329 1 931 . 1 . 1 75 75 LYS C C 13 178.662 0.300 . 1 . . . . A 75 LYS C . 36329 1 932 . 1 . 1 75 75 LYS CA C 13 60.008 0.300 . 1 . . . . A 75 LYS CA . 36329 1 933 . 1 . 1 75 75 LYS CB C 13 32.306 0.300 . 1 . . . . A 75 LYS CB . 36329 1 934 . 1 . 1 75 75 LYS CG C 13 25.407 0.300 . 1 . . . . A 75 LYS CG . 36329 1 935 . 1 . 1 75 75 LYS CD C 13 32.298 0.300 . 1 . . . . A 75 LYS CD . 36329 1 936 . 1 . 1 75 75 LYS CE C 13 42.084 0.300 . 1 . . . . A 75 LYS CE . 36329 1 937 . 1 . 1 75 75 LYS N N 15 122.366 0.300 . 1 . . . . A 75 LYS N . 36329 1 938 . 1 . 1 76 76 LEU H H 1 7.784 0.030 . 1 . . . . A 76 LEU H . 36329 1 939 . 1 . 1 76 76 LEU HA H 1 3.809 0.030 . 1 . . . . A 76 LEU HA . 36329 1 940 . 1 . 1 76 76 LEU HB2 H 1 0.904 0.030 . 2 . . . . A 76 LEU HB2 . 36329 1 941 . 1 . 1 76 76 LEU HB3 H 1 1.678 0.030 . 2 . . . . A 76 LEU HB3 . 36329 1 942 . 1 . 1 76 76 LEU HG H 1 1.396 0.030 . 1 . . . . A 76 LEU HG . 36329 1 943 . 1 . 1 76 76 LEU HD11 H 1 0.656 0.030 . 2 . . . . A 76 LEU HD11 . 36329 1 944 . 1 . 1 76 76 LEU HD12 H 1 0.656 0.030 . 2 . . . . A 76 LEU HD12 . 36329 1 945 . 1 . 1 76 76 LEU HD13 H 1 0.656 0.030 . 2 . . . . A 76 LEU HD13 . 36329 1 946 . 1 . 1 76 76 LEU HD21 H 1 0.112 0.030 . 2 . . . . A 76 LEU HD21 . 36329 1 947 . 1 . 1 76 76 LEU HD22 H 1 0.112 0.030 . 2 . . . . A 76 LEU HD22 . 36329 1 948 . 1 . 1 76 76 LEU HD23 H 1 0.112 0.030 . 2 . . . . A 76 LEU HD23 . 36329 1 949 . 1 . 1 76 76 LEU C C 13 178.153 0.300 . 1 . . . . A 76 LEU C . 36329 1 950 . 1 . 1 76 76 LEU CA C 13 57.857 0.300 . 1 . . . . A 76 LEU CA . 36329 1 951 . 1 . 1 76 76 LEU CB C 13 42.786 0.300 . 1 . . . . A 76 LEU CB . 36329 1 952 . 1 . 1 76 76 LEU CG C 13 27.022 0.300 . 1 . . . . A 76 LEU CG . 36329 1 953 . 1 . 1 76 76 LEU CD1 C 13 25.591 0.300 . 2 . . . . A 76 LEU CD1 . 36329 1 954 . 1 . 1 76 76 LEU CD2 C 13 26.125 0.300 . 2 . . . . A 76 LEU CD2 . 36329 1 955 . 1 . 1 76 76 LEU N N 15 119.512 0.300 . 1 . . . . A 76 LEU N . 36329 1 956 . 1 . 1 77 77 ALA H H 1 7.940 0.030 . 1 . . . . A 77 ALA H . 36329 1 957 . 1 . 1 77 77 ALA HA H 1 3.706 0.030 . 1 . . . . A 77 ALA HA . 36329 1 958 . 1 . 1 77 77 ALA HB1 H 1 1.373 0.030 . 1 . . . . A 77 ALA HB1 . 36329 1 959 . 1 . 1 77 77 ALA HB2 H 1 1.373 0.030 . 1 . . . . A 77 ALA HB2 . 36329 1 960 . 1 . 1 77 77 ALA HB3 H 1 1.373 0.030 . 1 . . . . A 77 ALA HB3 . 36329 1 961 . 1 . 1 77 77 ALA C C 13 178.761 0.300 . 1 . . . . A 77 ALA C . 36329 1 962 . 1 . 1 77 77 ALA CA C 13 55.826 0.300 . 1 . . . . A 77 ALA CA . 36329 1 963 . 1 . 1 77 77 ALA CB C 13 17.951 0.300 . 1 . . . . A 77 ALA CB . 36329 1 964 . 1 . 1 77 77 ALA N N 15 118.445 0.300 . 1 . . . . A 77 ALA N . 36329 1 965 . 1 . 1 78 78 LYS H H 1 8.061 0.030 . 1 . . . . A 78 LYS H . 36329 1 966 . 1 . 1 78 78 LYS HA H 1 4.086 0.030 . 1 . . . . A 78 LYS HA . 36329 1 967 . 1 . 1 78 78 LYS HB2 H 1 1.964 0.030 . 1 . . . . A 78 LYS HB2 . 36329 1 968 . 1 . 1 78 78 LYS HB3 H 1 1.964 0.030 . 1 . . . . A 78 LYS HB3 . 36329 1 969 . 1 . 1 78 78 LYS HG2 H 1 1.528 0.030 . 1 . . . . A 78 LYS HG2 . 36329 1 970 . 1 . 1 78 78 LYS HG3 H 1 1.528 0.030 . 1 . . . . A 78 LYS HG3 . 36329 1 971 . 1 . 1 78 78 LYS HD2 H 1 1.693 0.030 . 1 . . . . A 78 LYS HD2 . 36329 1 972 . 1 . 1 78 78 LYS HD3 H 1 1.693 0.030 . 1 . . . . A 78 LYS HD3 . 36329 1 973 . 1 . 1 78 78 LYS HE2 H 1 2.979 0.030 . 1 . . . . A 78 LYS HE2 . 36329 1 974 . 1 . 1 78 78 LYS HE3 H 1 2.979 0.030 . 1 . . . . A 78 LYS HE3 . 36329 1 975 . 1 . 1 78 78 LYS C C 13 181.636 0.300 . 1 . . . . A 78 LYS C . 36329 1 976 . 1 . 1 78 78 LYS CA C 13 59.939 0.300 . 1 . . . . A 78 LYS CA . 36329 1 977 . 1 . 1 78 78 LYS CB C 13 32.202 0.300 . 1 . . . . A 78 LYS CB . 36329 1 978 . 1 . 1 78 78 LYS CG C 13 25.047 0.300 . 1 . . . . A 78 LYS CG . 36329 1 979 . 1 . 1 78 78 LYS CD C 13 29.248 0.300 . 1 . . . . A 78 LYS CD . 36329 1 980 . 1 . 1 78 78 LYS CE C 13 42.184 0.300 . 1 . . . . A 78 LYS CE . 36329 1 981 . 1 . 1 78 78 LYS N N 15 118.006 0.300 . 1 . . . . A 78 LYS N . 36329 1 982 . 1 . 1 79 79 THR H H 1 8.317 0.030 . 1 . . . . A 79 THR H . 36329 1 983 . 1 . 1 79 79 THR HA H 1 3.812 0.030 . 1 . . . . A 79 THR HA . 36329 1 984 . 1 . 1 79 79 THR HB H 1 4.243 0.030 . 1 . . . . A 79 THR HB . 36329 1 985 . 1 . 1 79 79 THR HG21 H 1 1.018 0.030 . 1 . . . . A 79 THR HG21 . 36329 1 986 . 1 . 1 79 79 THR HG22 H 1 1.018 0.030 . 1 . . . . A 79 THR HG22 . 36329 1 987 . 1 . 1 79 79 THR HG23 H 1 1.018 0.030 . 1 . . . . A 79 THR HG23 . 36329 1 988 . 1 . 1 79 79 THR C C 13 175.488 0.300 . 1 . . . . A 79 THR C . 36329 1 989 . 1 . 1 79 79 THR CA C 13 66.164 0.300 . 1 . . . . A 79 THR CA . 36329 1 990 . 1 . 1 79 79 THR CB C 13 67.781 0.300 . 1 . . . . A 79 THR CB . 36329 1 991 . 1 . 1 79 79 THR CG2 C 13 23.867 0.300 . 1 . . . . A 79 THR CG2 . 36329 1 992 . 1 . 1 79 79 THR N N 15 120.151 0.300 . 1 . . . . A 79 THR N . 36329 1 993 . 1 . 1 80 80 ALA H H 1 7.931 0.030 . 1 . . . . A 80 ALA H . 36329 1 994 . 1 . 1 80 80 ALA HA H 1 4.099 0.030 . 1 . . . . A 80 ALA HA . 36329 1 995 . 1 . 1 80 80 ALA HB1 H 1 1.506 0.030 . 1 . . . . A 80 ALA HB1 . 36329 1 996 . 1 . 1 80 80 ALA HB2 H 1 1.506 0.030 . 1 . . . . A 80 ALA HB2 . 36329 1 997 . 1 . 1 80 80 ALA HB3 H 1 1.506 0.030 . 1 . . . . A 80 ALA HB3 . 36329 1 998 . 1 . 1 80 80 ALA C C 13 175.714 0.300 . 1 . . . . A 80 ALA C . 36329 1 999 . 1 . 1 80 80 ALA CA C 13 52.510 0.300 . 1 . . . . A 80 ALA CA . 36329 1 1000 . 1 . 1 80 80 ALA CB C 13 20.013 0.300 . 1 . . . . A 80 ALA CB . 36329 1 1001 . 1 . 1 80 80 ALA N N 15 121.702 0.300 . 1 . . . . A 80 ALA N . 36329 1 1002 . 1 . 1 81 81 GLY H H 1 7.894 0.030 . 1 . . . . A 81 GLY H . 36329 1 1003 . 1 . 1 81 81 GLY HA2 H 1 3.799 0.030 . 2 . . . . A 81 GLY HA2 . 36329 1 1004 . 1 . 1 81 81 GLY HA3 H 1 4.187 0.030 . 2 . . . . A 81 GLY HA3 . 36329 1 1005 . 1 . 1 81 81 GLY C C 13 174.208 0.300 . 1 . . . . A 81 GLY C . 36329 1 1006 . 1 . 1 81 81 GLY CA C 13 45.783 0.300 . 1 . . . . A 81 GLY CA . 36329 1 1007 . 1 . 1 81 81 GLY N N 15 106.537 0.300 . 1 . . . . A 81 GLY N . 36329 1 1008 . 1 . 1 82 82 ILE H H 1 8.363 0.030 . 1 . . . . A 82 ILE H . 36329 1 1009 . 1 . 1 82 82 ILE HA H 1 4.164 0.030 . 1 . . . . A 82 ILE HA . 36329 1 1010 . 1 . 1 82 82 ILE HB H 1 1.697 0.030 . 1 . . . . A 82 ILE HB . 36329 1 1011 . 1 . 1 82 82 ILE HG12 H 1 1.081 0.030 . 2 . . . . A 82 ILE HG12 . 36329 1 1012 . 1 . 1 82 82 ILE HG13 H 1 1.424 0.030 . 2 . . . . A 82 ILE HG13 . 36329 1 1013 . 1 . 1 82 82 ILE HG21 H 1 0.903 0.030 . 1 . . . . A 82 ILE HG21 . 36329 1 1014 . 1 . 1 82 82 ILE HG22 H 1 0.903 0.030 . 1 . . . . A 82 ILE HG22 . 36329 1 1015 . 1 . 1 82 82 ILE HG23 H 1 0.903 0.030 . 1 . . . . A 82 ILE HG23 . 36329 1 1016 . 1 . 1 82 82 ILE HD11 H 1 0.735 0.030 . 1 . . . . A 82 ILE HD11 . 36329 1 1017 . 1 . 1 82 82 ILE HD12 H 1 0.735 0.030 . 1 . . . . A 82 ILE HD12 . 36329 1 1018 . 1 . 1 82 82 ILE HD13 H 1 0.735 0.030 . 1 . . . . A 82 ILE HD13 . 36329 1 1019 . 1 . 1 82 82 ILE C C 13 175.316 0.300 . 1 . . . . A 82 ILE C . 36329 1 1020 . 1 . 1 82 82 ILE CA C 13 60.177 0.300 . 1 . . . . A 82 ILE CA . 36329 1 1021 . 1 . 1 82 82 ILE CB C 13 38.608 0.300 . 1 . . . . A 82 ILE CB . 36329 1 1022 . 1 . 1 82 82 ILE CG1 C 13 27.494 0.300 . 1 . . . . A 82 ILE CG1 . 36329 1 1023 . 1 . 1 82 82 ILE CG2 C 13 16.980 0.300 . 1 . . . . A 82 ILE CG2 . 36329 1 1024 . 1 . 1 82 82 ILE CD1 C 13 13.508 0.300 . 1 . . . . A 82 ILE CD1 . 36329 1 1025 . 1 . 1 82 82 ILE N N 15 123.956 0.300 . 1 . . . . A 82 ILE N . 36329 1 1026 . 1 . 1 83 83 SER H H 1 8.575 0.030 . 1 . . . . A 83 SER H . 36329 1 1027 . 1 . 1 83 83 SER HA H 1 4.380 0.030 . 1 . . . . A 83 SER HA . 36329 1 1028 . 1 . 1 83 83 SER HB2 H 1 4.046 0.030 . 2 . . . . A 83 SER HB2 . 36329 1 1029 . 1 . 1 83 83 SER HB3 H 1 4.377 0.030 . 2 . . . . A 83 SER HB3 . 36329 1 1030 . 1 . 1 83 83 SER C C 13 174.393 0.300 . 1 . . . . A 83 SER C . 36329 1 1031 . 1 . 1 83 83 SER CA C 13 57.743 0.300 . 1 . . . . A 83 SER CA . 36329 1 1032 . 1 . 1 83 83 SER CB C 13 65.426 0.300 . 1 . . . . A 83 SER CB . 36329 1 1033 . 1 . 1 83 83 SER N N 15 123.605 0.300 . 1 . . . . A 83 SER N . 36329 1 1034 . 1 . 1 84 84 GLU H H 1 8.852 0.030 . 1 . . . . A 84 GLU H . 36329 1 1035 . 1 . 1 84 84 GLU HA H 1 3.906 0.030 . 1 . . . . A 84 GLU HA . 36329 1 1036 . 1 . 1 84 84 GLU HB2 H 1 2.018 0.030 . 1 . . . . A 84 GLU HB2 . 36329 1 1037 . 1 . 1 84 84 GLU HB3 H 1 2.018 0.030 . 1 . . . . A 84 GLU HB3 . 36329 1 1038 . 1 . 1 84 84 GLU C C 13 178.739 0.300 . 1 . . . . A 84 GLU C . 36329 1 1039 . 1 . 1 84 84 GLU CA C 13 60.141 0.300 . 1 . . . . A 84 GLU CA . 36329 1 1040 . 1 . 1 84 84 GLU CB C 13 29.214 0.300 . 1 . . . . A 84 GLU CB . 36329 1 1041 . 1 . 1 84 84 GLU N N 15 121.589 0.300 . 1 . . . . A 84 GLU N . 36329 1 1042 . 1 . 1 85 85 LYS H H 1 8.136 0.030 . 1 . . . . A 85 LYS H . 36329 1 1043 . 1 . 1 85 85 LYS HA H 1 3.922 0.030 . 1 . . . . A 85 LYS HA . 36329 1 1044 . 1 . 1 85 85 LYS HB2 H 1 1.657 0.030 . 2 . . . . A 85 LYS HB2 . 36329 1 1045 . 1 . 1 85 85 LYS HB3 H 1 1.840 0.030 . 2 . . . . A 85 LYS HB3 . 36329 1 1046 . 1 . 1 85 85 LYS HG2 H 1 1.269 0.030 . 2 . . . . A 85 LYS HG2 . 36329 1 1047 . 1 . 1 85 85 LYS HG3 H 1 1.413 0.030 . 2 . . . . A 85 LYS HG3 . 36329 1 1048 . 1 . 1 85 85 LYS HD2 H 1 1.269 0.030 . 1 . . . . A 85 LYS HD2 . 36329 1 1049 . 1 . 1 85 85 LYS HD3 H 1 1.269 0.030 . 1 . . . . A 85 LYS HD3 . 36329 1 1050 . 1 . 1 85 85 LYS HE2 H 1 2.995 0.030 . 1 . . . . A 85 LYS HE2 . 36329 1 1051 . 1 . 1 85 85 LYS HE3 H 1 2.995 0.030 . 1 . . . . A 85 LYS HE3 . 36329 1 1052 . 1 . 1 85 85 LYS C C 13 178.094 0.300 . 1 . . . . A 85 LYS C . 36329 1 1053 . 1 . 1 85 85 LYS CA C 13 59.602 0.300 . 1 . . . . A 85 LYS CA . 36329 1 1054 . 1 . 1 85 85 LYS CB C 13 33.047 0.300 . 1 . . . . A 85 LYS CB . 36329 1 1055 . 1 . 1 85 85 LYS CG C 13 24.856 0.300 . 1 . . . . A 85 LYS CG . 36329 1 1056 . 1 . 1 85 85 LYS CD C 13 24.791 0.300 . 1 . . . . A 85 LYS CD . 36329 1 1057 . 1 . 1 85 85 LYS CE C 13 42.184 0.300 . 1 . . . . A 85 LYS CE . 36329 1 1058 . 1 . 1 85 85 LYS N N 15 119.130 0.300 . 1 . . . . A 85 LYS N . 36329 1 1059 . 1 . 1 86 86 GLN H H 1 7.629 0.030 . 1 . . . . A 86 GLN H . 36329 1 1060 . 1 . 1 86 86 GLN HA H 1 3.979 0.030 . 1 . . . . A 86 GLN HA . 36329 1 1061 . 1 . 1 86 86 GLN HB2 H 1 1.862 0.030 . 2 . . . . A 86 GLN HB2 . 36329 1 1062 . 1 . 1 86 86 GLN HB3 H 1 2.286 0.030 . 2 . . . . A 86 GLN HB3 . 36329 1 1063 . 1 . 1 86 86 GLN HG2 H 1 2.365 0.030 . 1 . . . . A 86 GLN HG2 . 36329 1 1064 . 1 . 1 86 86 GLN HG3 H 1 2.365 0.030 . 1 . . . . A 86 GLN HG3 . 36329 1 1065 . 1 . 1 86 86 GLN HE21 H 1 7.496 0.030 . 2 . . . . A 86 GLN HE21 . 36329 1 1066 . 1 . 1 86 86 GLN HE22 H 1 6.896 0.030 . 2 . . . . A 86 GLN HE22 . 36329 1 1067 . 1 . 1 86 86 GLN C C 13 179.102 0.300 . 1 . . . . A 86 GLN C . 36329 1 1068 . 1 . 1 86 86 GLN CA C 13 58.619 0.300 . 1 . . . . A 86 GLN CA . 36329 1 1069 . 1 . 1 86 86 GLN CB C 13 29.145 0.300 . 1 . . . . A 86 GLN CB . 36329 1 1070 . 1 . 1 86 86 GLN CG C 13 34.792 0.300 . 1 . . . . A 86 GLN CG . 36329 1 1071 . 1 . 1 86 86 GLN N N 15 117.707 0.300 . 1 . . . . A 86 GLN N . 36329 1 1072 . 1 . 1 86 86 GLN NE2 N 15 111.393 0.300 . 1 . . . . A 86 GLN NE2 . 36329 1 1073 . 1 . 1 87 87 LEU H H 1 8.299 0.030 . 1 . . . . A 87 LEU H . 36329 1 1074 . 1 . 1 87 87 LEU HA H 1 3.883 0.030 . 1 . . . . A 87 LEU HA . 36329 1 1075 . 1 . 1 87 87 LEU HB2 H 1 1.271 0.030 . 2 . . . . A 87 LEU HB2 . 36329 1 1076 . 1 . 1 87 87 LEU HB3 H 1 1.984 0.030 . 2 . . . . A 87 LEU HB3 . 36329 1 1077 . 1 . 1 87 87 LEU HG H 1 1.481 0.030 . 1 . . . . A 87 LEU HG . 36329 1 1078 . 1 . 1 87 87 LEU HD11 H 1 0.735 0.030 . 2 . . . . A 87 LEU HD11 . 36329 1 1079 . 1 . 1 87 87 LEU HD12 H 1 0.735 0.030 . 2 . . . . A 87 LEU HD12 . 36329 1 1080 . 1 . 1 87 87 LEU HD13 H 1 0.735 0.030 . 2 . . . . A 87 LEU HD13 . 36329 1 1081 . 1 . 1 87 87 LEU HD21 H 1 0.792 0.030 . 2 . . . . A 87 LEU HD21 . 36329 1 1082 . 1 . 1 87 87 LEU HD22 H 1 0.792 0.030 . 2 . . . . A 87 LEU HD22 . 36329 1 1083 . 1 . 1 87 87 LEU HD23 H 1 0.792 0.030 . 2 . . . . A 87 LEU HD23 . 36329 1 1084 . 1 . 1 87 87 LEU C C 13 177.760 0.300 . 1 . . . . A 87 LEU C . 36329 1 1085 . 1 . 1 87 87 LEU CA C 13 57.941 0.300 . 1 . . . . A 87 LEU CA . 36329 1 1086 . 1 . 1 87 87 LEU CB C 13 41.714 0.300 . 1 . . . . A 87 LEU CB . 36329 1 1087 . 1 . 1 87 87 LEU CG C 13 27.013 0.300 . 1 . . . . A 87 LEU CG . 36329 1 1088 . 1 . 1 87 87 LEU CD1 C 13 23.490 0.300 . 2 . . . . A 87 LEU CD1 . 36329 1 1089 . 1 . 1 87 87 LEU CD2 C 13 25.761 0.300 . 2 . . . . A 87 LEU CD2 . 36329 1 1090 . 1 . 1 87 87 LEU N N 15 119.876 0.300 . 1 . . . . A 87 LEU N . 36329 1 1091 . 1 . 1 88 88 ARG H H 1 7.790 0.030 . 1 . . . . A 88 ARG H . 36329 1 1092 . 1 . 1 88 88 ARG HA H 1 4.044 0.030 . 1 . . . . A 88 ARG HA . 36329 1 1093 . 1 . 1 88 88 ARG HB2 H 1 1.948 0.030 . 1 . . . . A 88 ARG HB2 . 36329 1 1094 . 1 . 1 88 88 ARG HB3 H 1 1.948 0.030 . 1 . . . . A 88 ARG HB3 . 36329 1 1095 . 1 . 1 88 88 ARG C C 13 177.904 0.300 . 1 . . . . A 88 ARG C . 36329 1 1096 . 1 . 1 88 88 ARG CA C 13 58.484 0.300 . 1 . . . . A 88 ARG CA . 36329 1 1097 . 1 . 1 88 88 ARG CB C 13 30.296 0.300 . 1 . . . . A 88 ARG CB . 36329 1 1098 . 1 . 1 88 88 ARG CD C 13 43.496 0.300 . 1 . . . . A 88 ARG CD . 36329 1 1099 . 1 . 1 88 88 ARG N N 15 115.599 0.300 . 1 . . . . A 88 ARG N . 36329 1 1100 . 1 . 1 89 89 GLU H H 1 7.585 0.030 . 1 . . . . A 89 GLU H . 36329 1 1101 . 1 . 1 89 89 GLU HA H 1 4.244 0.030 . 1 . . . . A 89 GLU HA . 36329 1 1102 . 1 . 1 89 89 GLU HB2 H 1 1.918 0.030 . 2 . . . . A 89 GLU HB2 . 36329 1 1103 . 1 . 1 89 89 GLU HB3 H 1 2.076 0.030 . 2 . . . . A 89 GLU HB3 . 36329 1 1104 . 1 . 1 89 89 GLU HG2 H 1 2.244 0.030 . 2 . . . . A 89 GLU HG2 . 36329 1 1105 . 1 . 1 89 89 GLU HG3 H 1 2.476 0.030 . 2 . . . . A 89 GLU HG3 . 36329 1 1106 . 1 . 1 89 89 GLU C C 13 176.644 0.300 . 1 . . . . A 89 GLU C . 36329 1 1107 . 1 . 1 89 89 GLU CA C 13 56.664 0.300 . 1 . . . . A 89 GLU CA . 36329 1 1108 . 1 . 1 89 89 GLU CB C 13 30.662 0.300 . 1 . . . . A 89 GLU CB . 36329 1 1109 . 1 . 1 89 89 GLU CG C 13 36.532 0.300 . 1 . . . . A 89 GLU CG . 36329 1 1110 . 1 . 1 89 89 GLU N N 15 115.716 0.300 . 1 . . . . A 89 GLU N . 36329 1 1111 . 1 . 1 90 90 ALA H H 1 7.615 0.030 . 1 . . . . A 90 ALA H . 36329 1 1112 . 1 . 1 90 90 ALA HA H 1 4.310 0.030 . 1 . . . . A 90 ALA HA . 36329 1 1113 . 1 . 1 90 90 ALA HB1 H 1 1.342 0.030 . 1 . . . . A 90 ALA HB1 . 36329 1 1114 . 1 . 1 90 90 ALA HB2 H 1 1.342 0.030 . 1 . . . . A 90 ALA HB2 . 36329 1 1115 . 1 . 1 90 90 ALA HB3 H 1 1.342 0.030 . 1 . . . . A 90 ALA HB3 . 36329 1 1116 . 1 . 1 90 90 ALA C C 13 177.418 0.300 . 1 . . . . A 90 ALA C . 36329 1 1117 . 1 . 1 90 90 ALA CA C 13 52.621 0.300 . 1 . . . . A 90 ALA CA . 36329 1 1118 . 1 . 1 90 90 ALA CB C 13 19.028 0.300 . 1 . . . . A 90 ALA CB . 36329 1 1119 . 1 . 1 90 90 ALA N N 15 123.133 0.300 . 1 . . . . A 90 ALA N . 36329 1 1120 . 1 . 1 91 91 ASP H H 1 8.944 0.030 . 1 . . . . A 91 ASP H . 36329 1 1121 . 1 . 1 91 91 ASP HA H 1 4.489 0.030 . 1 . . . . A 91 ASP HA . 36329 1 1122 . 1 . 1 91 91 ASP HB2 H 1 2.797 0.030 . 2 . . . . A 91 ASP HB2 . 36329 1 1123 . 1 . 1 91 91 ASP HB3 H 1 2.909 0.030 . 2 . . . . A 91 ASP HB3 . 36329 1 1124 . 1 . 1 91 91 ASP C C 13 176.557 0.300 . 1 . . . . A 91 ASP C . 36329 1 1125 . 1 . 1 91 91 ASP CA C 13 56.317 0.300 . 1 . . . . A 91 ASP CA . 36329 1 1126 . 1 . 1 91 91 ASP CB C 13 39.260 0.300 . 1 . . . . A 91 ASP CB . 36329 1 1127 . 1 . 1 91 91 ASP N N 15 120.689 0.300 . 1 . . . . A 91 ASP N . 36329 1 1128 . 1 . 1 92 92 TYR H H 1 7.476 0.030 . 1 . . . . A 92 TYR H . 36329 1 1129 . 1 . 1 92 92 TYR HA H 1 5.223 0.030 . 1 . . . . A 92 TYR HA . 36329 1 1130 . 1 . 1 92 92 TYR HB2 H 1 2.773 0.030 . 2 . . . . A 92 TYR HB2 . 36329 1 1131 . 1 . 1 92 92 TYR HB3 H 1 3.231 0.030 . 2 . . . . A 92 TYR HB3 . 36329 1 1132 . 1 . 1 92 92 TYR HD1 H 1 6.794 0.030 . 1 . . . . A 92 TYR HD1 . 36329 1 1133 . 1 . 1 92 92 TYR HD2 H 1 6.794 0.030 . 1 . . . . A 92 TYR HD2 . 36329 1 1134 . 1 . 1 92 92 TYR HE1 H 1 6.697 0.030 . 1 . . . . A 92 TYR HE1 . 36329 1 1135 . 1 . 1 92 92 TYR HE2 H 1 6.697 0.030 . 1 . . . . A 92 TYR HE2 . 36329 1 1136 . 1 . 1 92 92 TYR C C 13 172.981 0.300 . 1 . . . . A 92 TYR C . 36329 1 1137 . 1 . 1 92 92 TYR CA C 13 56.684 0.300 . 1 . . . . A 92 TYR CA . 36329 1 1138 . 1 . 1 92 92 TYR CB C 13 40.421 0.300 . 1 . . . . A 92 TYR CB . 36329 1 1139 . 1 . 1 92 92 TYR CD1 C 13 134.270 0.300 . 1 . . . . A 92 TYR CD1 . 36329 1 1140 . 1 . 1 92 92 TYR CD2 C 13 134.270 0.300 . 1 . . . . A 92 TYR CD2 . 36329 1 1141 . 1 . 1 92 92 TYR CE1 C 13 117.962 0.300 . 1 . . . . A 92 TYR CE1 . 36329 1 1142 . 1 . 1 92 92 TYR CE2 C 13 117.962 0.300 . 1 . . . . A 92 TYR CE2 . 36329 1 1143 . 1 . 1 92 92 TYR N N 15 112.367 0.300 . 1 . . . . A 92 TYR N . 36329 1 1144 . 1 . 1 93 93 ILE H H 1 9.304 0.030 . 1 . . . . A 93 ILE H . 36329 1 1145 . 1 . 1 93 93 ILE HA H 1 4.875 0.030 . 1 . . . . A 93 ILE HA . 36329 1 1146 . 1 . 1 93 93 ILE HB H 1 1.686 0.030 . 1 . . . . A 93 ILE HB . 36329 1 1147 . 1 . 1 93 93 ILE HG12 H 1 1.032 0.030 . 2 . . . . A 93 ILE HG12 . 36329 1 1148 . 1 . 1 93 93 ILE HG13 H 1 1.436 0.030 . 2 . . . . A 93 ILE HG13 . 36329 1 1149 . 1 . 1 93 93 ILE HG21 H 1 0.738 0.030 . 1 . . . . A 93 ILE HG21 . 36329 1 1150 . 1 . 1 93 93 ILE HG22 H 1 0.738 0.030 . 1 . . . . A 93 ILE HG22 . 36329 1 1151 . 1 . 1 93 93 ILE HG23 H 1 0.738 0.030 . 1 . . . . A 93 ILE HG23 . 36329 1 1152 . 1 . 1 93 93 ILE HD11 H 1 0.757 0.030 . 1 . . . . A 93 ILE HD11 . 36329 1 1153 . 1 . 1 93 93 ILE HD12 H 1 0.757 0.030 . 1 . . . . A 93 ILE HD12 . 36329 1 1154 . 1 . 1 93 93 ILE HD13 H 1 0.757 0.030 . 1 . . . . A 93 ILE HD13 . 36329 1 1155 . 1 . 1 93 93 ILE C C 13 174.246 0.300 . 1 . . . . A 93 ILE C . 36329 1 1156 . 1 . 1 93 93 ILE CA C 13 60.073 0.300 . 1 . . . . A 93 ILE CA . 36329 1 1157 . 1 . 1 93 93 ILE CB C 13 42.131 0.300 . 1 . . . . A 93 ILE CB . 36329 1 1158 . 1 . 1 93 93 ILE CG1 C 13 27.766 0.300 . 1 . . . . A 93 ILE CG1 . 36329 1 1159 . 1 . 1 93 93 ILE CG2 C 13 17.788 0.300 . 1 . . . . A 93 ILE CG2 . 36329 1 1160 . 1 . 1 93 93 ILE CD1 C 13 14.501 0.300 . 1 . . . . A 93 ILE CD1 . 36329 1 1161 . 1 . 1 93 93 ILE N N 15 120.655 0.300 . 1 . . . . A 93 ILE N . 36329 1 1162 . 1 . 1 94 94 ILE H H 1 9.089 0.030 . 1 . . . . A 94 ILE H . 36329 1 1163 . 1 . 1 94 94 ILE HA H 1 5.074 0.030 . 1 . . . . A 94 ILE HA . 36329 1 1164 . 1 . 1 94 94 ILE HB H 1 1.910 0.030 . 1 . . . . A 94 ILE HB . 36329 1 1165 . 1 . 1 94 94 ILE HG12 H 1 1.099 0.030 . 2 . . . . A 94 ILE HG12 . 36329 1 1166 . 1 . 1 94 94 ILE HG13 H 1 1.816 0.030 . 2 . . . . A 94 ILE HG13 . 36329 1 1167 . 1 . 1 94 94 ILE HG21 H 1 0.806 0.030 . 1 . . . . A 94 ILE HG21 . 36329 1 1168 . 1 . 1 94 94 ILE HG22 H 1 0.806 0.030 . 1 . . . . A 94 ILE HG22 . 36329 1 1169 . 1 . 1 94 94 ILE HG23 H 1 0.806 0.030 . 1 . . . . A 94 ILE HG23 . 36329 1 1170 . 1 . 1 94 94 ILE HD11 H 1 0.763 0.030 . 1 . . . . A 94 ILE HD11 . 36329 1 1171 . 1 . 1 94 94 ILE HD12 H 1 0.763 0.030 . 1 . . . . A 94 ILE HD12 . 36329 1 1172 . 1 . 1 94 94 ILE HD13 H 1 0.763 0.030 . 1 . . . . A 94 ILE HD13 . 36329 1 1173 . 1 . 1 94 94 ILE C C 13 173.857 0.300 . 1 . . . . A 94 ILE C . 36329 1 1174 . 1 . 1 94 94 ILE CA C 13 60.149 0.300 . 1 . . . . A 94 ILE CA . 36329 1 1175 . 1 . 1 94 94 ILE CB C 13 40.406 0.300 . 1 . . . . A 94 ILE CB . 36329 1 1176 . 1 . 1 94 94 ILE CG1 C 13 28.260 0.300 . 1 . . . . A 94 ILE CG1 . 36329 1 1177 . 1 . 1 94 94 ILE CG2 C 13 17.574 0.300 . 1 . . . . A 94 ILE CG2 . 36329 1 1178 . 1 . 1 94 94 ILE CD1 C 13 13.689 0.300 . 1 . . . . A 94 ILE CD1 . 36329 1 1179 . 1 . 1 94 94 ILE N N 15 126.272 0.300 . 1 . . . . A 94 ILE N . 36329 1 1180 . 1 . 1 95 95 LEU H H 1 9.465 0.030 . 1 . . . . A 95 LEU H . 36329 1 1181 . 1 . 1 95 95 LEU HA H 1 5.310 0.030 . 1 . . . . A 95 LEU HA . 36329 1 1182 . 1 . 1 95 95 LEU HB2 H 1 1.221 0.030 . 2 . . . . A 95 LEU HB2 . 36329 1 1183 . 1 . 1 95 95 LEU HB3 H 1 2.057 0.030 . 2 . . . . A 95 LEU HB3 . 36329 1 1184 . 1 . 1 95 95 LEU HD11 H 1 0.821 0.030 . 2 . . . . A 95 LEU HD11 . 36329 1 1185 . 1 . 1 95 95 LEU HD12 H 1 0.821 0.030 . 2 . . . . A 95 LEU HD12 . 36329 1 1186 . 1 . 1 95 95 LEU HD13 H 1 0.821 0.030 . 2 . . . . A 95 LEU HD13 . 36329 1 1187 . 1 . 1 95 95 LEU HD21 H 1 0.718 0.030 . 2 . . . . A 95 LEU HD21 . 36329 1 1188 . 1 . 1 95 95 LEU HD22 H 1 0.718 0.030 . 2 . . . . A 95 LEU HD22 . 36329 1 1189 . 1 . 1 95 95 LEU HD23 H 1 0.718 0.030 . 2 . . . . A 95 LEU HD23 . 36329 1 1190 . 1 . 1 95 95 LEU C C 13 175.146 0.300 . 1 . . . . A 95 LEU C . 36329 1 1191 . 1 . 1 95 95 LEU CA C 13 52.576 0.300 . 1 . . . . A 95 LEU CA . 36329 1 1192 . 1 . 1 95 95 LEU CB C 13 42.688 0.300 . 1 . . . . A 95 LEU CB . 36329 1 1193 . 1 . 1 95 95 LEU CD1 C 13 24.007 0.300 . 2 . . . . A 95 LEU CD1 . 36329 1 1194 . 1 . 1 95 95 LEU CD2 C 13 25.872 0.300 . 2 . . . . A 95 LEU CD2 . 36329 1 1195 . 1 . 1 95 95 LEU N N 15 126.161 0.300 . 1 . . . . A 95 LEU N . 36329 1 1196 . 1 . 1 96 96 ILE H H 1 8.948 0.030 . 1 . . . . A 96 ILE H . 36329 1 1197 . 1 . 1 96 96 ILE HA H 1 4.497 0.030 . 1 . . . . A 96 ILE HA . 36329 1 1198 . 1 . 1 96 96 ILE HB H 1 1.617 0.030 . 1 . . . . A 96 ILE HB . 36329 1 1199 . 1 . 1 96 96 ILE HG12 H 1 0.680 0.030 . 2 . . . . A 96 ILE HG12 . 36329 1 1200 . 1 . 1 96 96 ILE HG13 H 1 1.377 0.030 . 2 . . . . A 96 ILE HG13 . 36329 1 1201 . 1 . 1 96 96 ILE HG21 H 1 0.604 0.030 . 1 . . . . A 96 ILE HG21 . 36329 1 1202 . 1 . 1 96 96 ILE HG22 H 1 0.604 0.030 . 1 . . . . A 96 ILE HG22 . 36329 1 1203 . 1 . 1 96 96 ILE HG23 H 1 0.604 0.030 . 1 . . . . A 96 ILE HG23 . 36329 1 1204 . 1 . 1 96 96 ILE HD11 H 1 0.581 0.030 . 1 . . . . A 96 ILE HD11 . 36329 1 1205 . 1 . 1 96 96 ILE HD12 H 1 0.581 0.030 . 1 . . . . A 96 ILE HD12 . 36329 1 1206 . 1 . 1 96 96 ILE HD13 H 1 0.581 0.030 . 1 . . . . A 96 ILE HD13 . 36329 1 1207 . 1 . 1 96 96 ILE C C 13 173.689 0.300 . 1 . . . . A 96 ILE C . 36329 1 1208 . 1 . 1 96 96 ILE CA C 13 61.307 0.300 . 1 . . . . A 96 ILE CA . 36329 1 1209 . 1 . 1 96 96 ILE CB C 13 38.655 0.300 . 1 . . . . A 96 ILE CB . 36329 1 1210 . 1 . 1 96 96 ILE CG1 C 13 27.756 0.300 . 1 . . . . A 96 ILE CG1 . 36329 1 1211 . 1 . 1 96 96 ILE CG2 C 13 17.313 0.300 . 1 . . . . A 96 ILE CG2 . 36329 1 1212 . 1 . 1 96 96 ILE CD1 C 13 14.108 0.300 . 1 . . . . A 96 ILE CD1 . 36329 1 1213 . 1 . 1 96 96 ILE N N 15 123.350 0.300 . 1 . . . . A 96 ILE N . 36329 1 1214 . 1 . 1 97 97 LEU H H 1 9.365 0.030 . 1 . . . . A 97 LEU H . 36329 1 1215 . 1 . 1 97 97 LEU HA H 1 5.357 0.030 . 1 . . . . A 97 LEU HA . 36329 1 1216 . 1 . 1 97 97 LEU HB2 H 1 1.328 0.030 . 2 . . . . A 97 LEU HB2 . 36329 1 1217 . 1 . 1 97 97 LEU HB3 H 1 2.021 0.030 . 2 . . . . A 97 LEU HB3 . 36329 1 1218 . 1 . 1 97 97 LEU HG H 1 1.665 0.030 . 1 . . . . A 97 LEU HG . 36329 1 1219 . 1 . 1 97 97 LEU HD11 H 1 0.760 0.030 . 2 . . . . A 97 LEU HD11 . 36329 1 1220 . 1 . 1 97 97 LEU HD12 H 1 0.760 0.030 . 2 . . . . A 97 LEU HD12 . 36329 1 1221 . 1 . 1 97 97 LEU HD13 H 1 0.760 0.030 . 2 . . . . A 97 LEU HD13 . 36329 1 1222 . 1 . 1 97 97 LEU HD21 H 1 0.773 0.030 . 2 . . . . A 97 LEU HD21 . 36329 1 1223 . 1 . 1 97 97 LEU HD22 H 1 0.773 0.030 . 2 . . . . A 97 LEU HD22 . 36329 1 1224 . 1 . 1 97 97 LEU HD23 H 1 0.773 0.030 . 2 . . . . A 97 LEU HD23 . 36329 1 1225 . 1 . 1 97 97 LEU C C 13 175.872 0.300 . 1 . . . . A 97 LEU C . 36329 1 1226 . 1 . 1 97 97 LEU CA C 13 54.112 0.300 . 1 . . . . A 97 LEU CA . 36329 1 1227 . 1 . 1 97 97 LEU CB C 13 41.723 0.300 . 1 . . . . A 97 LEU CB . 36329 1 1228 . 1 . 1 97 97 LEU CG C 13 28.507 0.300 . 1 . . . . A 97 LEU CG . 36329 1 1229 . 1 . 1 97 97 LEU CD1 C 13 25.103 0.300 . 2 . . . . A 97 LEU CD1 . 36329 1 1230 . 1 . 1 97 97 LEU CD2 C 13 26.484 0.300 . 2 . . . . A 97 LEU CD2 . 36329 1 1231 . 1 . 1 97 97 LEU N N 15 129.223 0.300 . 1 . . . . A 97 LEU N . 36329 1 1232 . 1 . 1 98 98 VAL H H 1 8.524 0.030 . 1 . . . . A 98 VAL H . 36329 1 1233 . 1 . 1 98 98 VAL HA H 1 5.223 0.030 . 1 . . . . A 98 VAL HA . 36329 1 1234 . 1 . 1 98 98 VAL HB H 1 2.378 0.030 . 1 . . . . A 98 VAL HB . 36329 1 1235 . 1 . 1 98 98 VAL HG11 H 1 0.968 0.030 . 2 . . . . A 98 VAL HG11 . 36329 1 1236 . 1 . 1 98 98 VAL HG12 H 1 0.968 0.030 . 2 . . . . A 98 VAL HG12 . 36329 1 1237 . 1 . 1 98 98 VAL HG13 H 1 0.968 0.030 . 2 . . . . A 98 VAL HG13 . 36329 1 1238 . 1 . 1 98 98 VAL HG21 H 1 1.032 0.030 . 2 . . . . A 98 VAL HG21 . 36329 1 1239 . 1 . 1 98 98 VAL HG22 H 1 1.032 0.030 . 2 . . . . A 98 VAL HG22 . 36329 1 1240 . 1 . 1 98 98 VAL HG23 H 1 1.032 0.030 . 2 . . . . A 98 VAL HG23 . 36329 1 1241 . 1 . 1 98 98 VAL C C 13 175.806 0.300 . 1 . . . . A 98 VAL C . 36329 1 1242 . 1 . 1 98 98 VAL CA C 13 59.221 0.300 . 1 . . . . A 98 VAL CA . 36329 1 1243 . 1 . 1 98 98 VAL CB C 13 35.853 0.300 . 1 . . . . A 98 VAL CB . 36329 1 1244 . 1 . 1 98 98 VAL CG1 C 13 20.282 0.300 . 2 . . . . A 98 VAL CG1 . 36329 1 1245 . 1 . 1 98 98 VAL CG2 C 13 22.790 0.300 . 2 . . . . A 98 VAL CG2 . 36329 1 1246 . 1 . 1 98 98 VAL N N 15 115.671 0.300 . 1 . . . . A 98 VAL N . 36329 1 1247 . 1 . 1 99 99 ARG H H 1 8.848 0.030 . 1 . . . . A 99 ARG H . 36329 1 1248 . 1 . 1 99 99 ARG HA H 1 4.392 0.030 . 1 . . . . A 99 ARG HA . 36329 1 1249 . 1 . 1 99 99 ARG HB2 H 1 1.964 0.030 . 1 . . . . A 99 ARG HB2 . 36329 1 1250 . 1 . 1 99 99 ARG HB3 H 1 1.964 0.030 . 1 . . . . A 99 ARG HB3 . 36329 1 1251 . 1 . 1 99 99 ARG HG2 H 1 1.807 0.030 . 1 . . . . A 99 ARG HG2 . 36329 1 1252 . 1 . 1 99 99 ARG HG3 H 1 1.807 0.030 . 1 . . . . A 99 ARG HG3 . 36329 1 1253 . 1 . 1 99 99 ARG HD2 H 1 3.273 0.030 . 1 . . . . A 99 ARG HD2 . 36329 1 1254 . 1 . 1 99 99 ARG HD3 H 1 3.273 0.030 . 1 . . . . A 99 ARG HD3 . 36329 1 1255 . 1 . 1 99 99 ARG C C 13 175.616 0.300 . 1 . . . . A 99 ARG C . 36329 1 1256 . 1 . 1 99 99 ARG CA C 13 58.253 0.300 . 1 . . . . A 99 ARG CA . 36329 1 1257 . 1 . 1 99 99 ARG CB C 13 31.244 0.300 . 1 . . . . A 99 ARG CB . 36329 1 1258 . 1 . 1 99 99 ARG CG C 13 27.895 0.300 . 1 . . . . A 99 ARG CG . 36329 1 1259 . 1 . 1 99 99 ARG CD C 13 43.418 0.300 . 1 . . . . A 99 ARG CD . 36329 1 1260 . 1 . 1 99 99 ARG N N 15 120.534 0.300 . 1 . . . . A 99 ARG N . 36329 1 1261 . 1 . 1 100 100 ASP H H 1 7.484 0.030 . 1 . . . . A 100 ASP H . 36329 1 1262 . 1 . 1 100 100 ASP HA H 1 4.872 0.030 . 1 . . . . A 100 ASP HA . 36329 1 1263 . 1 . 1 100 100 ASP HB2 H 1 2.860 0.030 . 1 . . . . A 100 ASP HB2 . 36329 1 1264 . 1 . 1 100 100 ASP HB3 H 1 2.860 0.030 . 1 . . . . A 100 ASP HB3 . 36329 1 1265 . 1 . 1 100 100 ASP C C 13 175.911 0.300 . 1 . . . . A 100 ASP C . 36329 1 1266 . 1 . 1 100 100 ASP CA C 13 53.047 0.300 . 1 . . . . A 100 ASP CA . 36329 1 1267 . 1 . 1 100 100 ASP CB C 13 43.155 0.300 . 1 . . . . A 100 ASP CB . 36329 1 1268 . 1 . 1 100 100 ASP N N 15 114.973 0.300 . 1 . . . . A 100 ASP N . 36329 1 1269 . 1 . 1 101 101 GLU H H 1 9.210 0.030 . 1 . . . . A 101 GLU H . 36329 1 1270 . 1 . 1 101 101 GLU HA H 1 3.936 0.030 . 1 . . . . A 101 GLU HA . 36329 1 1271 . 1 . 1 101 101 GLU HB2 H 1 2.067 0.030 . 2 . . . . A 101 GLU HB2 . 36329 1 1272 . 1 . 1 101 101 GLU HB3 H 1 2.150 0.030 . 2 . . . . A 101 GLU HB3 . 36329 1 1273 . 1 . 1 101 101 GLU HG2 H 1 2.297 0.030 . 1 . . . . A 101 GLU HG2 . 36329 1 1274 . 1 . 1 101 101 GLU HG3 H 1 2.297 0.030 . 1 . . . . A 101 GLU HG3 . 36329 1 1275 . 1 . 1 101 101 GLU C C 13 178.008 0.300 . 1 . . . . A 101 GLU C . 36329 1 1276 . 1 . 1 101 101 GLU CA C 13 59.313 0.300 . 1 . . . . A 101 GLU CA . 36329 1 1277 . 1 . 1 101 101 GLU CB C 13 29.463 0.300 . 1 . . . . A 101 GLU CB . 36329 1 1278 . 1 . 1 101 101 GLU CG C 13 35.762 0.300 . 1 . . . . A 101 GLU CG . 36329 1 1279 . 1 . 1 101 101 GLU N N 15 124.058 0.300 . 1 . . . . A 101 GLU N . 36329 1 1280 . 1 . 1 102 102 LYS H H 1 8.289 0.030 . 1 . . . . A 102 LYS H . 36329 1 1281 . 1 . 1 102 102 LYS HA H 1 4.005 0.030 . 1 . . . . A 102 LYS HA . 36329 1 1282 . 1 . 1 102 102 LYS HB2 H 1 1.846 0.030 . 2 . . . . A 102 LYS HB2 . 36329 1 1283 . 1 . 1 102 102 LYS HB3 H 1 2.027 0.030 . 2 . . . . A 102 LYS HB3 . 36329 1 1284 . 1 . 1 102 102 LYS HG2 H 1 1.488 0.030 . 2 . . . . A 102 LYS HG2 . 36329 1 1285 . 1 . 1 102 102 LYS HG3 H 1 1.604 0.030 . 2 . . . . A 102 LYS HG3 . 36329 1 1286 . 1 . 1 102 102 LYS HE2 H 1 3.064 0.030 . 1 . . . . A 102 LYS HE2 . 36329 1 1287 . 1 . 1 102 102 LYS HE3 H 1 3.064 0.030 . 1 . . . . A 102 LYS HE3 . 36329 1 1288 . 1 . 1 102 102 LYS C C 13 180.342 0.300 . 1 . . . . A 102 LYS C . 36329 1 1289 . 1 . 1 102 102 LYS CA C 13 59.703 0.300 . 1 . . . . A 102 LYS CA . 36329 1 1290 . 1 . 1 102 102 LYS CB C 13 31.624 0.300 . 1 . . . . A 102 LYS CB . 36329 1 1291 . 1 . 1 102 102 LYS CG C 13 25.539 0.300 . 1 . . . . A 102 LYS CG . 36329 1 1292 . 1 . 1 102 102 LYS CE C 13 42.037 0.300 . 1 . . . . A 102 LYS CE . 36329 1 1293 . 1 . 1 102 102 LYS N N 15 119.630 0.300 . 1 . . . . A 102 LYS N . 36329 1 1294 . 1 . 1 103 103 LYS H H 1 8.195 0.030 . 1 . . . . A 103 LYS H . 36329 1 1295 . 1 . 1 103 103 LYS HA H 1 4.141 0.030 . 1 . . . . A 103 LYS HA . 36329 1 1296 . 1 . 1 103 103 LYS HB2 H 1 1.900 0.030 . 2 . . . . A 103 LYS HB2 . 36329 1 1297 . 1 . 1 103 103 LYS HB3 H 1 2.023 0.030 . 2 . . . . A 103 LYS HB3 . 36329 1 1298 . 1 . 1 103 103 LYS HG2 H 1 1.601 0.030 . 1 . . . . A 103 LYS HG2 . 36329 1 1299 . 1 . 1 103 103 LYS HG3 H 1 1.601 0.030 . 1 . . . . A 103 LYS HG3 . 36329 1 1300 . 1 . 1 103 103 LYS HD2 H 1 1.791 0.030 . 1 . . . . A 103 LYS HD2 . 36329 1 1301 . 1 . 1 103 103 LYS HD3 H 1 1.791 0.030 . 1 . . . . A 103 LYS HD3 . 36329 1 1302 . 1 . 1 103 103 LYS HE2 H 1 3.051 0.030 . 1 . . . . A 103 LYS HE2 . 36329 1 1303 . 1 . 1 103 103 LYS HE3 H 1 3.051 0.030 . 1 . . . . A 103 LYS HE3 . 36329 1 1304 . 1 . 1 103 103 LYS C C 13 178.789 0.300 . 1 . . . . A 103 LYS C . 36329 1 1305 . 1 . 1 103 103 LYS CA C 13 58.469 0.300 . 1 . . . . A 103 LYS CA . 36329 1 1306 . 1 . 1 103 103 LYS CB C 13 32.350 0.300 . 1 . . . . A 103 LYS CB . 36329 1 1307 . 1 . 1 103 103 LYS CG C 13 25.632 0.300 . 1 . . . . A 103 LYS CG . 36329 1 1308 . 1 . 1 103 103 LYS CD C 13 28.991 0.300 . 1 . . . . A 103 LYS CD . 36329 1 1309 . 1 . 1 103 103 LYS CE C 13 42.245 0.300 . 1 . . . . A 103 LYS CE . 36329 1 1310 . 1 . 1 103 103 LYS N N 15 120.018 0.300 . 1 . . . . A 103 LYS N . 36329 1 1311 . 1 . 1 104 104 ALA H H 1 7.699 0.030 . 1 . . . . A 104 ALA H . 36329 1 1312 . 1 . 1 104 104 ALA HA H 1 3.995 0.030 . 1 . . . . A 104 ALA HA . 36329 1 1313 . 1 . 1 104 104 ALA HB1 H 1 1.364 0.030 . 1 . . . . A 104 ALA HB1 . 36329 1 1314 . 1 . 1 104 104 ALA HB2 H 1 1.364 0.030 . 1 . . . . A 104 ALA HB2 . 36329 1 1315 . 1 . 1 104 104 ALA HB3 H 1 1.364 0.030 . 1 . . . . A 104 ALA HB3 . 36329 1 1316 . 1 . 1 104 104 ALA C C 13 178.895 0.300 . 1 . . . . A 104 ALA C . 36329 1 1317 . 1 . 1 104 104 ALA CA C 13 55.623 0.300 . 1 . . . . A 104 ALA CA . 36329 1 1318 . 1 . 1 104 104 ALA CB C 13 18.476 0.300 . 1 . . . . A 104 ALA CB . 36329 1 1319 . 1 . 1 104 104 ALA N N 15 121.455 0.300 . 1 . . . . A 104 ALA N . 36329 1 1320 . 1 . 1 105 105 LYS H H 1 7.872 0.030 . 1 . . . . A 105 LYS H . 36329 1 1321 . 1 . 1 105 105 LYS HA H 1 3.913 0.030 . 1 . . . . A 105 LYS HA . 36329 1 1322 . 1 . 1 105 105 LYS HB2 H 1 1.889 0.030 . 1 . . . . A 105 LYS HB2 . 36329 1 1323 . 1 . 1 105 105 LYS HB3 H 1 1.889 0.030 . 1 . . . . A 105 LYS HB3 . 36329 1 1324 . 1 . 1 105 105 LYS HG2 H 1 1.549 0.030 . 1 . . . . A 105 LYS HG2 . 36329 1 1325 . 1 . 1 105 105 LYS HG3 H 1 1.549 0.030 . 1 . . . . A 105 LYS HG3 . 36329 1 1326 . 1 . 1 105 105 LYS HD2 H 1 1.551 0.030 . 1 . . . . A 105 LYS HD2 . 36329 1 1327 . 1 . 1 105 105 LYS HD3 H 1 1.551 0.030 . 1 . . . . A 105 LYS HD3 . 36329 1 1328 . 1 . 1 105 105 LYS HE2 H 1 3.151 0.030 . 1 . . . . A 105 LYS HE2 . 36329 1 1329 . 1 . 1 105 105 LYS HE3 H 1 3.151 0.030 . 1 . . . . A 105 LYS HE3 . 36329 1 1330 . 1 . 1 105 105 LYS C C 13 178.612 0.300 . 1 . . . . A 105 LYS C . 36329 1 1331 . 1 . 1 105 105 LYS CA C 13 59.348 0.300 . 1 . . . . A 105 LYS CA . 36329 1 1332 . 1 . 1 105 105 LYS CB C 13 32.467 0.300 . 1 . . . . A 105 LYS CB . 36329 1 1333 . 1 . 1 105 105 LYS CG C 13 25.222 0.300 . 1 . . . . A 105 LYS CG . 36329 1 1334 . 1 . 1 105 105 LYS CD C 13 28.258 0.300 . 1 . . . . A 105 LYS CD . 36329 1 1335 . 1 . 1 105 105 LYS CE C 13 43.345 0.300 . 1 . . . . A 105 LYS CE . 36329 1 1336 . 1 . 1 105 105 LYS N N 15 117.755 0.300 . 1 . . . . A 105 LYS N . 36329 1 1337 . 1 . 1 106 106 LYS H H 1 7.720 0.030 . 1 . . . . A 106 LYS H . 36329 1 1338 . 1 . 1 106 106 LYS HA H 1 4.173 0.030 . 1 . . . . A 106 LYS HA . 36329 1 1339 . 1 . 1 106 106 LYS HB2 H 1 1.959 0.030 . 1 . . . . A 106 LYS HB2 . 36329 1 1340 . 1 . 1 106 106 LYS HB3 H 1 1.959 0.030 . 1 . . . . A 106 LYS HB3 . 36329 1 1341 . 1 . 1 106 106 LYS HG2 H 1 1.433 0.030 . 1 . . . . A 106 LYS HG2 . 36329 1 1342 . 1 . 1 106 106 LYS HG3 H 1 1.433 0.030 . 1 . . . . A 106 LYS HG3 . 36329 1 1343 . 1 . 1 106 106 LYS HE2 H 1 2.985 0.030 . 1 . . . . A 106 LYS HE2 . 36329 1 1344 . 1 . 1 106 106 LYS HE3 H 1 2.985 0.030 . 1 . . . . A 106 LYS HE3 . 36329 1 1345 . 1 . 1 106 106 LYS C C 13 179.398 0.300 . 1 . . . . A 106 LYS C . 36329 1 1346 . 1 . 1 106 106 LYS CA C 13 59.211 0.300 . 1 . . . . A 106 LYS CA . 36329 1 1347 . 1 . 1 106 106 LYS CB C 13 32.332 0.300 . 1 . . . . A 106 LYS CB . 36329 1 1348 . 1 . 1 106 106 LYS CG C 13 25.045 0.300 . 1 . . . . A 106 LYS CG . 36329 1 1349 . 1 . 1 106 106 LYS CE C 13 42.180 0.300 . 1 . . . . A 106 LYS CE . 36329 1 1350 . 1 . 1 106 106 LYS N N 15 118.992 0.300 . 1 . . . . A 106 LYS N . 36329 1 1351 . 1 . 1 107 107 PHE H H 1 8.289 0.030 . 1 . . . . A 107 PHE H . 36329 1 1352 . 1 . 1 107 107 PHE HA H 1 4.164 0.030 . 1 . . . . A 107 PHE HA . 36329 1 1353 . 1 . 1 107 107 PHE HB2 H 1 3.179 0.030 . 2 . . . . A 107 PHE HB2 . 36329 1 1354 . 1 . 1 107 107 PHE HB3 H 1 3.303 0.030 . 2 . . . . A 107 PHE HB3 . 36329 1 1355 . 1 . 1 107 107 PHE HD1 H 1 7.333 0.030 . 1 . . . . A 107 PHE HD1 . 36329 1 1356 . 1 . 1 107 107 PHE HD2 H 1 7.333 0.030 . 1 . . . . A 107 PHE HD2 . 36329 1 1357 . 1 . 1 107 107 PHE HE1 H 1 7.249 0.030 . 1 . . . . A 107 PHE HE1 . 36329 1 1358 . 1 . 1 107 107 PHE HE2 H 1 7.249 0.030 . 1 . . . . A 107 PHE HE2 . 36329 1 1359 . 1 . 1 107 107 PHE HZ H 1 7.149 0.030 . 1 . . . . A 107 PHE HZ . 36329 1 1360 . 1 . 1 107 107 PHE C C 13 177.633 0.300 . 1 . . . . A 107 PHE C . 36329 1 1361 . 1 . 1 107 107 PHE CA C 13 61.787 0.300 . 1 . . . . A 107 PHE CA . 36329 1 1362 . 1 . 1 107 107 PHE CB C 13 39.277 0.300 . 1 . . . . A 107 PHE CB . 36329 1 1363 . 1 . 1 107 107 PHE CD1 C 13 131.518 0.300 . 1 . . . . A 107 PHE CD1 . 36329 1 1364 . 1 . 1 107 107 PHE CD2 C 13 131.518 0.300 . 1 . . . . A 107 PHE CD2 . 36329 1 1365 . 1 . 1 107 107 PHE CE1 C 13 131.504 0.300 . 1 . . . . A 107 PHE CE1 . 36329 1 1366 . 1 . 1 107 107 PHE CE2 C 13 131.504 0.300 . 1 . . . . A 107 PHE CE2 . 36329 1 1367 . 1 . 1 107 107 PHE CZ C 13 129.561 0.300 . 1 . . . . A 107 PHE CZ . 36329 1 1368 . 1 . 1 107 107 PHE N N 15 120.707 0.300 . 1 . . . . A 107 PHE N . 36329 1 1369 . 1 . 1 108 108 ALA H H 1 8.550 0.030 . 1 . . . . A 108 ALA H . 36329 1 1370 . 1 . 1 108 108 ALA HA H 1 4.159 0.030 . 1 . . . . A 108 ALA HA . 36329 1 1371 . 1 . 1 108 108 ALA HB1 H 1 1.445 0.030 . 1 . . . . A 108 ALA HB1 . 36329 1 1372 . 1 . 1 108 108 ALA HB2 H 1 1.445 0.030 . 1 . . . . A 108 ALA HB2 . 36329 1 1373 . 1 . 1 108 108 ALA HB3 H 1 1.445 0.030 . 1 . . . . A 108 ALA HB3 . 36329 1 1374 . 1 . 1 108 108 ALA C C 13 180.389 0.300 . 1 . . . . A 108 ALA C . 36329 1 1375 . 1 . 1 108 108 ALA CA C 13 55.732 0.300 . 1 . . . . A 108 ALA CA . 36329 1 1376 . 1 . 1 108 108 ALA CB C 13 18.371 0.300 . 1 . . . . A 108 ALA CB . 36329 1 1377 . 1 . 1 108 108 ALA N N 15 121.882 0.300 . 1 . . . . A 108 ALA N . 36329 1 1378 . 1 . 1 109 109 ASP H H 1 8.377 0.030 . 1 . . . . A 109 ASP H . 36329 1 1379 . 1 . 1 109 109 ASP HA H 1 4.430 0.030 . 1 . . . . A 109 ASP HA . 36329 1 1380 . 1 . 1 109 109 ASP HB2 H 1 2.693 0.030 . 2 . . . . A 109 ASP HB2 . 36329 1 1381 . 1 . 1 109 109 ASP HB3 H 1 2.850 0.030 . 2 . . . . A 109 ASP HB3 . 36329 1 1382 . 1 . 1 109 109 ASP C C 13 178.795 0.300 . 1 . . . . A 109 ASP C . 36329 1 1383 . 1 . 1 109 109 ASP CA C 13 57.401 0.300 . 1 . . . . A 109 ASP CA . 36329 1 1384 . 1 . 1 109 109 ASP CB C 13 40.753 0.300 . 1 . . . . A 109 ASP CB . 36329 1 1385 . 1 . 1 109 109 ASP N N 15 117.926 0.300 . 1 . . . . A 109 ASP N . 36329 1 1386 . 1 . 1 110 110 SER H H 1 7.929 0.030 . 1 . . . . A 110 SER H . 36329 1 1387 . 1 . 1 110 110 SER HA H 1 4.219 0.030 . 1 . . . . A 110 SER HA . 36329 1 1388 . 1 . 1 110 110 SER HB2 H 1 3.853 0.030 . 2 . . . . A 110 SER HB2 . 36329 1 1389 . 1 . 1 110 110 SER HB3 H 1 3.955 0.030 . 2 . . . . A 110 SER HB3 . 36329 1 1390 . 1 . 1 110 110 SER C C 13 176.407 0.300 . 1 . . . . A 110 SER C . 36329 1 1391 . 1 . 1 110 110 SER CA C 13 61.815 0.300 . 1 . . . . A 110 SER CA . 36329 1 1392 . 1 . 1 110 110 SER CB C 13 63.184 0.300 . 1 . . . . A 110 SER CB . 36329 1 1393 . 1 . 1 110 110 SER N N 15 115.808 0.300 . 1 . . . . A 110 SER N . 36329 1 1394 . 1 . 1 111 111 LEU H H 1 8.185 0.030 . 1 . . . . A 111 LEU H . 36329 1 1395 . 1 . 1 111 111 LEU HA H 1 4.037 0.030 . 1 . . . . A 111 LEU HA . 36329 1 1396 . 1 . 1 111 111 LEU HB2 H 1 1.677 0.030 . 1 . . . . A 111 LEU HB2 . 36329 1 1397 . 1 . 1 111 111 LEU HB3 H 1 1.677 0.030 . 1 . . . . A 111 LEU HB3 . 36329 1 1398 . 1 . 1 111 111 LEU HG H 1 1.700 0.030 . 1 . . . . A 111 LEU HG . 36329 1 1399 . 1 . 1 111 111 LEU HD11 H 1 0.845 0.030 . 2 . . . . A 111 LEU HD11 . 36329 1 1400 . 1 . 1 111 111 LEU HD12 H 1 0.845 0.030 . 2 . . . . A 111 LEU HD12 . 36329 1 1401 . 1 . 1 111 111 LEU HD13 H 1 0.845 0.030 . 2 . . . . A 111 LEU HD13 . 36329 1 1402 . 1 . 1 111 111 LEU HD21 H 1 0.900 0.030 . 2 . . . . A 111 LEU HD21 . 36329 1 1403 . 1 . 1 111 111 LEU HD22 H 1 0.900 0.030 . 2 . . . . A 111 LEU HD22 . 36329 1 1404 . 1 . 1 111 111 LEU HD23 H 1 0.900 0.030 . 2 . . . . A 111 LEU HD23 . 36329 1 1405 . 1 . 1 111 111 LEU C C 13 178.923 0.300 . 1 . . . . A 111 LEU C . 36329 1 1406 . 1 . 1 111 111 LEU CA C 13 57.523 0.300 . 1 . . . . A 111 LEU CA . 36329 1 1407 . 1 . 1 111 111 LEU CB C 13 41.982 0.300 . 1 . . . . A 111 LEU CB . 36329 1 1408 . 1 . 1 111 111 LEU CG C 13 27.133 0.300 . 1 . . . . A 111 LEU CG . 36329 1 1409 . 1 . 1 111 111 LEU CD1 C 13 24.192 0.300 . 2 . . . . A 111 LEU CD1 . 36329 1 1410 . 1 . 1 111 111 LEU CD2 C 13 25.361 0.300 . 2 . . . . A 111 LEU CD2 . 36329 1 1411 . 1 . 1 111 111 LEU N N 15 122.187 0.300 . 1 . . . . A 111 LEU N . 36329 1 1412 . 1 . 1 112 112 ARG H H 1 7.985 0.030 . 1 . . . . A 112 ARG H . 36329 1 1413 . 1 . 1 112 112 ARG HA H 1 4.146 0.030 . 1 . . . . A 112 ARG HA . 36329 1 1414 . 1 . 1 112 112 ARG HB2 H 1 1.961 0.030 . 1 . . . . A 112 ARG HB2 . 36329 1 1415 . 1 . 1 112 112 ARG HB3 H 1 1.961 0.030 . 1 . . . . A 112 ARG HB3 . 36329 1 1416 . 1 . 1 112 112 ARG HG2 H 1 1.709 0.030 . 2 . . . . A 112 ARG HG2 . 36329 1 1417 . 1 . 1 112 112 ARG HG3 H 1 1.804 0.030 . 2 . . . . A 112 ARG HG3 . 36329 1 1418 . 1 . 1 112 112 ARG HD2 H 1 3.262 0.030 . 1 . . . . A 112 ARG HD2 . 36329 1 1419 . 1 . 1 112 112 ARG HD3 H 1 3.262 0.030 . 1 . . . . A 112 ARG HD3 . 36329 1 1420 . 1 . 1 112 112 ARG C C 13 178.263 0.300 . 1 . . . . A 112 ARG C . 36329 1 1421 . 1 . 1 112 112 ARG CA C 13 58.538 0.300 . 1 . . . . A 112 ARG CA . 36329 1 1422 . 1 . 1 112 112 ARG CB C 13 30.344 0.300 . 1 . . . . A 112 ARG CB . 36329 1 1423 . 1 . 1 112 112 ARG CG C 13 27.820 0.300 . 1 . . . . A 112 ARG CG . 36329 1 1424 . 1 . 1 112 112 ARG CD C 13 43.435 0.300 . 1 . . . . A 112 ARG CD . 36329 1 1425 . 1 . 1 112 112 ARG N N 15 119.469 0.300 . 1 . . . . A 112 ARG N . 36329 1 1426 . 1 . 1 113 113 LYS H H 1 7.854 0.030 . 1 . . . . A 113 LYS H . 36329 1 1427 . 1 . 1 113 113 LYS HA H 1 4.166 0.030 . 1 . . . . A 113 LYS HA . 36329 1 1428 . 1 . 1 113 113 LYS HB2 H 1 1.905 0.030 . 1 . . . . A 113 LYS HB2 . 36329 1 1429 . 1 . 1 113 113 LYS HB3 H 1 1.905 0.030 . 1 . . . . A 113 LYS HB3 . 36329 1 1430 . 1 . 1 113 113 LYS HG2 H 1 1.474 0.030 . 1 . . . . A 113 LYS HG2 . 36329 1 1431 . 1 . 1 113 113 LYS HG3 H 1 1.474 0.030 . 1 . . . . A 113 LYS HG3 . 36329 1 1432 . 1 . 1 113 113 LYS CA C 13 58.107 0.300 . 1 . . . . A 113 LYS CA . 36329 1 1433 . 1 . 1 113 113 LYS CB C 13 32.666 0.300 . 1 . . . . A 113 LYS CB . 36329 1 1434 . 1 . 1 113 113 LYS CG C 13 25.391 0.300 . 1 . . . . A 113 LYS CG . 36329 1 1435 . 1 . 1 113 113 LYS CE C 13 42.345 0.300 . 1 . . . . A 113 LYS CE . 36329 1 1436 . 1 . 1 113 113 LYS N N 15 119.306 0.300 . 1 . . . . A 113 LYS N . 36329 1 1437 . 1 . 1 114 114 LYS H H 1 7.960 0.030 . 1 . . . . A 114 LYS H . 36329 1 1438 . 1 . 1 114 114 LYS HA H 1 4.259 0.030 . 1 . . . . A 114 LYS HA . 36329 1 1439 . 1 . 1 114 114 LYS HB2 H 1 1.867 0.030 . 2 . . . . A 114 LYS HB2 . 36329 1 1440 . 1 . 1 114 114 LYS HB3 H 1 1.923 0.030 . 2 . . . . A 114 LYS HB3 . 36329 1 1441 . 1 . 1 114 114 LYS HG2 H 1 1.519 0.030 . 1 . . . . A 114 LYS HG2 . 36329 1 1442 . 1 . 1 114 114 LYS HG3 H 1 1.519 0.030 . 1 . . . . A 114 LYS HG3 . 36329 1 1443 . 1 . 1 114 114 LYS CA C 13 57.042 0.300 . 1 . . . . A 114 LYS CA . 36329 1 1444 . 1 . 1 114 114 LYS CB C 13 32.770 0.300 . 1 . . . . A 114 LYS CB . 36329 1 1445 . 1 . 1 114 114 LYS CE C 13 42.213 0.300 . 1 . . . . A 114 LYS CE . 36329 1 1446 . 1 . 1 114 114 LYS N N 15 119.552 0.300 . 1 . . . . A 114 LYS N . 36329 1 1447 . 1 . 1 115 115 GLY H H 1 8.089 0.030 . 1 . . . . A 115 GLY H . 36329 1 1448 . 1 . 1 115 115 GLY HA2 H 1 3.979 0.030 . 2 . . . . A 115 GLY HA2 . 36329 1 1449 . 1 . 1 115 115 GLY HA3 H 1 4.033 0.030 . 2 . . . . A 115 GLY HA3 . 36329 1 1450 . 1 . 1 115 115 GLY C C 13 174.444 0.300 . 1 . . . . A 115 GLY C . 36329 1 1451 . 1 . 1 115 115 GLY CA C 13 45.815 0.300 . 1 . . . . A 115 GLY CA . 36329 1 1452 . 1 . 1 115 115 GLY N N 15 108.064 0.300 . 1 . . . . A 115 GLY N . 36329 1 1453 . 1 . 1 116 116 SER H H 1 8.050 0.030 . 1 . . . . A 116 SER H . 36329 1 1454 . 1 . 1 116 116 SER HA H 1 4.404 0.030 . 1 . . . . A 116 SER HA . 36329 1 1455 . 1 . 1 116 116 SER HB2 H 1 3.898 0.030 . 1 . . . . A 116 SER HB2 . 36329 1 1456 . 1 . 1 116 116 SER HB3 H 1 3.898 0.030 . 1 . . . . A 116 SER HB3 . 36329 1 1457 . 1 . 1 116 116 SER C C 13 174.753 0.300 . 1 . . . . A 116 SER C . 36329 1 1458 . 1 . 1 116 116 SER CA C 13 58.871 0.300 . 1 . . . . A 116 SER CA . 36329 1 1459 . 1 . 1 116 116 SER CB C 13 63.809 0.300 . 1 . . . . A 116 SER CB . 36329 1 1460 . 1 . 1 116 116 SER N N 15 114.744 0.300 . 1 . . . . A 116 SER N . 36329 1 1461 . 1 . 1 117 117 LEU H H 1 8.316 0.030 . 1 . . . . A 117 LEU H . 36329 1 1462 . 1 . 1 117 117 LEU HA H 1 4.325 0.030 . 1 . . . . A 117 LEU HA . 36329 1 1463 . 1 . 1 117 117 LEU HB2 H 1 1.550 0.030 . 2 . . . . A 117 LEU HB2 . 36329 1 1464 . 1 . 1 117 117 LEU HB3 H 1 1.656 0.030 . 2 . . . . A 117 LEU HB3 . 36329 1 1465 . 1 . 1 117 117 LEU HG H 1 1.612 0.030 . 1 . . . . A 117 LEU HG . 36329 1 1466 . 1 . 1 117 117 LEU HD11 H 1 0.772 0.030 . 2 . . . . A 117 LEU HD11 . 36329 1 1467 . 1 . 1 117 117 LEU HD12 H 1 0.772 0.030 . 2 . . . . A 117 LEU HD12 . 36329 1 1468 . 1 . 1 117 117 LEU HD13 H 1 0.772 0.030 . 2 . . . . A 117 LEU HD13 . 36329 1 1469 . 1 . 1 117 117 LEU HD21 H 1 0.845 0.030 . 2 . . . . A 117 LEU HD21 . 36329 1 1470 . 1 . 1 117 117 LEU HD22 H 1 0.845 0.030 . 2 . . . . A 117 LEU HD22 . 36329 1 1471 . 1 . 1 117 117 LEU HD23 H 1 0.845 0.030 . 2 . . . . A 117 LEU HD23 . 36329 1 1472 . 1 . 1 117 117 LEU C C 13 177.146 0.300 . 1 . . . . A 117 LEU C . 36329 1 1473 . 1 . 1 117 117 LEU CA C 13 55.417 0.300 . 1 . . . . A 117 LEU CA . 36329 1 1474 . 1 . 1 117 117 LEU CB C 13 41.971 0.300 . 1 . . . . A 117 LEU CB . 36329 1 1475 . 1 . 1 117 117 LEU CG C 13 27.033 0.300 . 1 . . . . A 117 LEU CG . 36329 1 1476 . 1 . 1 117 117 LEU CD1 C 13 23.380 0.300 . 2 . . . . A 117 LEU CD1 . 36329 1 1477 . 1 . 1 117 117 LEU CD2 C 13 25.353 0.300 . 2 . . . . A 117 LEU CD2 . 36329 1 1478 . 1 . 1 117 117 LEU N N 15 122.200 0.300 . 1 . . . . A 117 LEU N . 36329 1 1479 . 1 . 1 118 118 GLU H H 1 8.184 0.030 . 1 . . . . A 118 GLU H . 36329 1 1480 . 1 . 1 118 118 GLU HA H 1 4.249 0.030 . 1 . . . . A 118 GLU HA . 36329 1 1481 . 1 . 1 118 118 GLU HB2 H 1 1.957 0.030 . 1 . . . . A 118 GLU HB2 . 36329 1 1482 . 1 . 1 118 118 GLU HB3 H 1 1.957 0.030 . 1 . . . . A 118 GLU HB3 . 36329 1 1483 . 1 . 1 118 118 GLU CA C 13 56.775 0.300 . 1 . . . . A 118 GLU CA . 36329 1 1484 . 1 . 1 118 118 GLU CB C 13 30.423 0.300 . 1 . . . . A 118 GLU CB . 36329 1 1485 . 1 . 1 118 118 GLU CG C 13 36.510 0.300 . 1 . . . . A 118 GLU CG . 36329 1 1486 . 1 . 1 118 118 GLU N N 15 119.999 0.300 . 1 . . . . A 118 GLU N . 36329 1 stop_ save_