data_30094 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30094 _Entry.Title ; Solid-state MAS NMR structure of Acinetobacter phage 205 (AP205) coat protein in assembled capsid particles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-05-17 _Entry.Accession_date 2016-05-17 _Entry.Last_release_date 2016-08-08 _Entry.Original_release_date 2016-08-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLID-STATE _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 K. Jaudzems K. . . . 30094 2 L. Andreas L. B. . . 30094 3 J. Stanek J. . . . 30094 4 D. Lalli D. . . . 30094 5 A. Bertarello A. . . . 30094 6 T. 'Le Marchand' T. . . . 30094 7 D. 'Cala-De Paepe' D. . . . 30094 8 S. Kotelovica S. . . . 30094 9 I. Akopjana I. . . . 30094 10 B. Knott B. . . . 30094 11 S. Wegner S. . . . 30094 12 F. Engelke F. . . . 30094 13 A. Lesage A. . . . 30094 14 L. Emsley L. . . . 30094 15 K. Tars K. . . . 30094 16 T. Herrmann T. . . . 30094 17 G. Pintacuda G. . . . 30094 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'COAT PROTEIN' . 30094 'viral protein' . 30094 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30094 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 377 30094 '15N chemical shifts' 101 30094 '1H chemical shifts' 539 30094 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-11-04 2016-05-17 update BMRB 'update entry citation' 30094 1 . . 2016-08-08 2016-05-17 original author 'original release' 30094 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5JZR 'BMRB Entry Tracking System' 30094 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30094 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27489348 _Citation.Full_citation . _Citation.Title ; Structure of fully protonated proteins by proton-detected magic-angle spinning NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 113 _Citation.Journal_issue 33 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 9187 _Citation.Page_last 9192 _Citation.Year 2016 _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 Loren Andreas L. B. . . 30094 1 2 Kristaps Jaudzems K. . . . 30094 1 3 Jan Stanek J. . . . 30094 1 4 Daniela Lalli D. . . . 30094 1 5 Andrea Bertarello A. . . . 30094 1 6 Tanguy Marchand T. Le . . 30094 1 7 Diane Paepe D. CD . . 30094 1 8 Svetlana Kotelovica S. . . . 30094 1 9 Inara Akopjana I. . . . 30094 1 10 Benno Knott B. . . . 30094 1 11 Sebastian Wegner S. . . . 30094 1 12 Frank Engelke F. . . . 30094 1 13 Anne Lesage A. . . . 30094 1 14 Lyndon Emsley L. . . . 30094 1 15 Kaspars Tars K. . . . 30094 1 16 Torsten Herrmann T. . . . 30094 1 17 Guido Pintacuda G. . . . 30094 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30094 _Assembly.ID 1 _Assembly.Name 'Coat protein' _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, chain 1' 1 $entity_1 A A yes . . . . . . 30094 1 2 'entity_1, chain 2' 1 $entity_1 B B no . . . . . . 30094 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 65 65 SG . 1 . 1 CYS 69 69 SG . . . . . . . . . . 30094 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30094 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Coat protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MANKPMQPITSTANKIVWSD PTRLSTTFSASLLRQRVKVG IAELNNVSGQYVSVYKRPAP KPEGCADACVIMPNENQSIR TVISGSAENLATLKAEWETH KRNVDTLFASGNAGLGFLDP TAAIVSSDTTA ; _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 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14022.842 _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 MET . 30094 1 2 2 ALA . 30094 1 3 3 ASN . 30094 1 4 4 LYS . 30094 1 5 5 PRO . 30094 1 6 6 MET . 30094 1 7 7 GLN . 30094 1 8 8 PRO . 30094 1 9 9 ILE . 30094 1 10 10 THR . 30094 1 11 11 SER . 30094 1 12 12 THR . 30094 1 13 13 ALA . 30094 1 14 14 ASN . 30094 1 15 15 LYS . 30094 1 16 16 ILE . 30094 1 17 17 VAL . 30094 1 18 18 TRP . 30094 1 19 19 SER . 30094 1 20 20 ASP . 30094 1 21 21 PRO . 30094 1 22 22 THR . 30094 1 23 23 ARG . 30094 1 24 24 LEU . 30094 1 25 25 SER . 30094 1 26 26 THR . 30094 1 27 27 THR . 30094 1 28 28 PHE . 30094 1 29 29 SER . 30094 1 30 30 ALA . 30094 1 31 31 SER . 30094 1 32 32 LEU . 30094 1 33 33 LEU . 30094 1 34 34 ARG . 30094 1 35 35 GLN . 30094 1 36 36 ARG . 30094 1 37 37 VAL . 30094 1 38 38 LYS . 30094 1 39 39 VAL . 30094 1 40 40 GLY . 30094 1 41 41 ILE . 30094 1 42 42 ALA . 30094 1 43 43 GLU . 30094 1 44 44 LEU . 30094 1 45 45 ASN . 30094 1 46 46 ASN . 30094 1 47 47 VAL . 30094 1 48 48 SER . 30094 1 49 49 GLY . 30094 1 50 50 GLN . 30094 1 51 51 TYR . 30094 1 52 52 VAL . 30094 1 53 53 SER . 30094 1 54 54 VAL . 30094 1 55 55 TYR . 30094 1 56 56 LYS . 30094 1 57 57 ARG . 30094 1 58 58 PRO . 30094 1 59 59 ALA . 30094 1 60 60 PRO . 30094 1 61 61 LYS . 30094 1 62 62 PRO . 30094 1 63 63 GLU . 30094 1 64 64 GLY . 30094 1 65 65 CYS . 30094 1 66 66 ALA . 30094 1 67 67 ASP . 30094 1 68 68 ALA . 30094 1 69 69 CYS . 30094 1 70 70 VAL . 30094 1 71 71 ILE . 30094 1 72 72 MET . 30094 1 73 73 PRO . 30094 1 74 74 ASN . 30094 1 75 75 GLU . 30094 1 76 76 ASN . 30094 1 77 77 GLN . 30094 1 78 78 SER . 30094 1 79 79 ILE . 30094 1 80 80 ARG . 30094 1 81 81 THR . 30094 1 82 82 VAL . 30094 1 83 83 ILE . 30094 1 84 84 SER . 30094 1 85 85 GLY . 30094 1 86 86 SER . 30094 1 87 87 ALA . 30094 1 88 88 GLU . 30094 1 89 89 ASN . 30094 1 90 90 LEU . 30094 1 91 91 ALA . 30094 1 92 92 THR . 30094 1 93 93 LEU . 30094 1 94 94 LYS . 30094 1 95 95 ALA . 30094 1 96 96 GLU . 30094 1 97 97 TRP . 30094 1 98 98 GLU . 30094 1 99 99 THR . 30094 1 100 100 HIS . 30094 1 101 101 LYS . 30094 1 102 102 ARG . 30094 1 103 103 ASN . 30094 1 104 104 VAL . 30094 1 105 105 ASP . 30094 1 106 106 THR . 30094 1 107 107 LEU . 30094 1 108 108 PHE . 30094 1 109 109 ALA . 30094 1 110 110 SER . 30094 1 111 111 GLY . 30094 1 112 112 ASN . 30094 1 113 113 ALA . 30094 1 114 114 GLY . 30094 1 115 115 LEU . 30094 1 116 116 GLY . 30094 1 117 117 PHE . 30094 1 118 118 LEU . 30094 1 119 119 ASP . 30094 1 120 120 PRO . 30094 1 121 121 THR . 30094 1 122 122 ALA . 30094 1 123 123 ALA . 30094 1 124 124 ILE . 30094 1 125 125 VAL . 30094 1 126 126 SER . 30094 1 127 127 SER . 30094 1 128 128 ASP . 30094 1 129 129 THR . 30094 1 130 130 THR . 30094 1 131 131 ALA . 30094 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 . MET 1 1 30094 1 . ALA 2 2 30094 1 . ASN 3 3 30094 1 . LYS 4 4 30094 1 . PRO 5 5 30094 1 . MET 6 6 30094 1 . GLN 7 7 30094 1 . PRO 8 8 30094 1 . ILE 9 9 30094 1 . THR 10 10 30094 1 . SER 11 11 30094 1 . THR 12 12 30094 1 . ALA 13 13 30094 1 . ASN 14 14 30094 1 . LYS 15 15 30094 1 . ILE 16 16 30094 1 . VAL 17 17 30094 1 . TRP 18 18 30094 1 . SER 19 19 30094 1 . ASP 20 20 30094 1 . PRO 21 21 30094 1 . THR 22 22 30094 1 . ARG 23 23 30094 1 . LEU 24 24 30094 1 . SER 25 25 30094 1 . THR 26 26 30094 1 . THR 27 27 30094 1 . PHE 28 28 30094 1 . SER 29 29 30094 1 . ALA 30 30 30094 1 . SER 31 31 30094 1 . LEU 32 32 30094 1 . LEU 33 33 30094 1 . ARG 34 34 30094 1 . GLN 35 35 30094 1 . ARG 36 36 30094 1 . VAL 37 37 30094 1 . LYS 38 38 30094 1 . VAL 39 39 30094 1 . GLY 40 40 30094 1 . ILE 41 41 30094 1 . ALA 42 42 30094 1 . GLU 43 43 30094 1 . LEU 44 44 30094 1 . ASN 45 45 30094 1 . ASN 46 46 30094 1 . VAL 47 47 30094 1 . SER 48 48 30094 1 . GLY 49 49 30094 1 . GLN 50 50 30094 1 . TYR 51 51 30094 1 . VAL 52 52 30094 1 . SER 53 53 30094 1 . VAL 54 54 30094 1 . TYR 55 55 30094 1 . LYS 56 56 30094 1 . ARG 57 57 30094 1 . PRO 58 58 30094 1 . ALA 59 59 30094 1 . PRO 60 60 30094 1 . LYS 61 61 30094 1 . PRO 62 62 30094 1 . GLU 63 63 30094 1 . GLY 64 64 30094 1 . CYS 65 65 30094 1 . ALA 66 66 30094 1 . ASP 67 67 30094 1 . ALA 68 68 30094 1 . CYS 69 69 30094 1 . VAL 70 70 30094 1 . ILE 71 71 30094 1 . MET 72 72 30094 1 . PRO 73 73 30094 1 . ASN 74 74 30094 1 . GLU 75 75 30094 1 . ASN 76 76 30094 1 . GLN 77 77 30094 1 . SER 78 78 30094 1 . ILE 79 79 30094 1 . ARG 80 80 30094 1 . THR 81 81 30094 1 . VAL 82 82 30094 1 . ILE 83 83 30094 1 . SER 84 84 30094 1 . GLY 85 85 30094 1 . SER 86 86 30094 1 . ALA 87 87 30094 1 . GLU 88 88 30094 1 . ASN 89 89 30094 1 . LEU 90 90 30094 1 . ALA 91 91 30094 1 . THR 92 92 30094 1 . LEU 93 93 30094 1 . LYS 94 94 30094 1 . ALA 95 95 30094 1 . GLU 96 96 30094 1 . TRP 97 97 30094 1 . GLU 98 98 30094 1 . THR 99 99 30094 1 . HIS 100 100 30094 1 . LYS 101 101 30094 1 . ARG 102 102 30094 1 . ASN 103 103 30094 1 . VAL 104 104 30094 1 . ASP 105 105 30094 1 . THR 106 106 30094 1 . LEU 107 107 30094 1 . PHE 108 108 30094 1 . ALA 109 109 30094 1 . SER 110 110 30094 1 . GLY 111 111 30094 1 . ASN 112 112 30094 1 . ALA 113 113 30094 1 . GLY 114 114 30094 1 . LEU 115 115 30094 1 . GLY 116 116 30094 1 . PHE 117 117 30094 1 . LEU 118 118 30094 1 . ASP 119 119 30094 1 . PRO 120 120 30094 1 . THR 121 121 30094 1 . ALA 122 122 30094 1 . ALA 123 123 30094 1 . ILE 124 124 30094 1 . VAL 125 125 30094 1 . SER 126 126 30094 1 . SER 127 127 30094 1 . ASP 128 128 30094 1 . THR 129 129 30094 1 . THR 130 130 30094 1 . ALA 131 131 30094 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 30094 _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 . 154784 . . 'Acinetobacter phage AP205' 'Acinetobacter phage AP205' . . Viruses Levivirus . . . . . . . . . . . . . . . 30094 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 30094 _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 . . . . . . . . . . 30094 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30094 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details '500 mg/mL [U-100% 13C; U-100% 15N] AP205 coat protein, 15 % [U-2H] PEG, 5 mM HEPES, 50 mM sodium chloride, H2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system H2O _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 'AP205 coat protein' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 500 . . mg/mL 200 . . . 30094 1 2 HEPES 'natural abundance' . . . . . . 5 . . mM 1 . . . 30094 1 3 PEG [U-2H] . . . . . . 15 . . % 5 . . . 30094 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 5 . . . 30094 1 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 30094 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.055 0.05 M 30094 1 pH 7.5 . pH 30094 1 pressure 1 . atm 30094 1 temperature 283 5 K 30094 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30094 _Software.ID 1 _Software.Name CARA _Software.Version 1.9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 30094 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30094 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30094 _Software.ID 2 _Software.Name CYANA _Software.Version 3.97 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30094 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30094 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30094 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30094 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30094 3 'peak picking' 30094 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30094 _Software.ID 4 _Software.Name TOPSPIN _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30094 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30094 4 processing 30094 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30094 _Software.ID 5 _Software.Name UNIO _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Torsten Herrmann et al.' . . 30094 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30094 5 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 30094 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Bruker 0.7 mm MAS probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 1000 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 30094 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 1000 . . . 30094 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 30094 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HhNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30094 1 2 '3D HhCH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30094 1 3 '3D HcCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30094 1 4 '3D hCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30094 1 5 '3D hNCAH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30094 1 6 '3D hNcoCAH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30094 1 7 '3D hCOCAH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30094 1 8 '3D hCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30094 1 9 '3D hCOnCAH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30094 1 10 '3D hcoCAcoNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30094 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 30094 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.8 internal indirect 0.251449530 . . . . . 30094 1 H 1 water protons . . . . ppm 4.8 internal direct 1 . . . . . 30094 1 N 15 water protons . . . . ppm 4.8 internal indirect 0.101329118 . . . . . 30094 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 30094 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 3 '3D HcCH-TOCSY' . . . 30094 1 4 '3D hCCH-TOCSY' . . . 30094 1 5 '3D hNCAH' . . . 30094 1 6 '3D hNcoCAH' . . . 30094 1 7 '3D hCOCAH' . . . 30094 1 8 '3D hCANH' . . . 30094 1 9 '3D hCOnCAH' . . . 30094 1 10 '3D hcoCAcoNH' . . . 30094 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 30094 1 3 $software_3 . . 30094 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.832 0.020 . 1 . . . A 2 ALA HA . 30094 1 2 . 1 1 2 2 ALA CA C 13 55.136 0.300 . 1 . . . A 2 ALA CA . 30094 1 3 . 1 1 3 3 ASN HA H 1 5.007 0.020 . 1 . . . A 3 ASN HA . 30094 1 4 . 1 1 3 3 ASN CA C 13 54.883 0.300 . 1 . . . A 3 ASN CA . 30094 1 5 . 1 1 4 4 LYS H H 1 8.575 0.000 . 1 . . . A 4 LYS H . 30094 1 6 . 1 1 4 4 LYS HA H 1 4.514 0.013 . 1 . . . A 4 LYS HA . 30094 1 7 . 1 1 4 4 LYS HB2 H 1 1.758 0.004 . 2 . . . A 4 LYS HB2 . 30094 1 8 . 1 1 4 4 LYS HB3 H 1 1.758 0.004 . 2 . . . A 4 LYS HB3 . 30094 1 9 . 1 1 4 4 LYS C C 13 173.738 0.118 . 1 . . . A 4 LYS C . 30094 1 10 . 1 1 4 4 LYS CA C 13 54.929 0.114 . 1 . . . A 4 LYS CA . 30094 1 11 . 1 1 4 4 LYS CB C 13 33.213 0.101 . 1 . . . A 4 LYS CB . 30094 1 12 . 1 1 4 4 LYS N N 15 122.522 0.101 . 1 . . . A 4 LYS N . 30094 1 13 . 1 1 5 5 PRO HA H 1 4.501 0.007 . 1 . . . A 5 PRO HA . 30094 1 14 . 1 1 5 5 PRO HB2 H 1 2.239 0.002 . 2 . . . A 5 PRO HB2 . 30094 1 15 . 1 1 5 5 PRO HB3 H 1 1.820 0.000 . 2 . . . A 5 PRO HB3 . 30094 1 16 . 1 1 5 5 PRO HG2 H 1 1.963 0.009 . 2 . . . A 5 PRO HG2 . 30094 1 17 . 1 1 5 5 PRO HG3 H 1 1.963 0.009 . 2 . . . A 5 PRO HG3 . 30094 1 18 . 1 1 5 5 PRO HD2 H 1 3.760 0.000 . 2 . . . A 5 PRO HD2 . 30094 1 19 . 1 1 5 5 PRO HD3 H 1 3.760 0.000 . 2 . . . A 5 PRO HD3 . 30094 1 20 . 1 1 5 5 PRO C C 13 176.803 0.002 . 1 . . . A 5 PRO C . 30094 1 21 . 1 1 5 5 PRO CA C 13 62.808 0.049 . 1 . . . A 5 PRO CA . 30094 1 22 . 1 1 5 5 PRO CB C 13 32.588 0.071 . 1 . . . A 5 PRO CB . 30094 1 23 . 1 1 5 5 PRO CG C 13 26.844 0.044 . 1 . . . A 5 PRO CG . 30094 1 24 . 1 1 5 5 PRO CD C 13 50.425 0.028 . 1 . . . A 5 PRO CD . 30094 1 25 . 1 1 6 6 MET H H 1 8.083 0.000 . 1 . . . A 6 MET H . 30094 1 26 . 1 1 6 6 MET HA H 1 4.765 0.026 . 1 . . . A 6 MET HA . 30094 1 27 . 1 1 6 6 MET C C 13 174.445 0.050 . 1 . . . A 6 MET C . 30094 1 28 . 1 1 6 6 MET CA C 13 54.861 0.123 . 1 . . . A 6 MET CA . 30094 1 29 . 1 1 6 6 MET CB C 13 36.862 0.000 . 1 . . . A 6 MET CB . 30094 1 30 . 1 1 6 6 MET CG C 13 32.137 0.000 . 1 . . . A 6 MET CG . 30094 1 31 . 1 1 6 6 MET N N 15 118.429 0.046 . 1 . . . A 6 MET N . 30094 1 32 . 1 1 7 7 GLN H H 1 8.773 0.020 . 1 . . . A 7 GLN H . 30094 1 33 . 1 1 7 7 GLN HA H 1 5.331 0.004 . 1 . . . A 7 GLN HA . 30094 1 34 . 1 1 7 7 GLN C C 13 173.991 0.009 . 1 . . . A 7 GLN C . 30094 1 35 . 1 1 7 7 GLN CA C 13 52.654 0.098 . 1 . . . A 7 GLN CA . 30094 1 36 . 1 1 7 7 GLN CB C 13 31.579 0.000 . 1 . . . A 7 GLN CB . 30094 1 37 . 1 1 7 7 GLN N N 15 117.460 0.009 . 1 . . . A 7 GLN N . 30094 1 38 . 1 1 8 8 PRO HA H 1 4.303 0.019 . 1 . . . A 8 PRO HA . 30094 1 39 . 1 1 8 8 PRO HB2 H 1 2.276 0.015 . 2 . . . A 8 PRO HB2 . 30094 1 40 . 1 1 8 8 PRO HB3 H 1 1.762 0.008 . 2 . . . A 8 PRO HB3 . 30094 1 41 . 1 1 8 8 PRO HG2 H 1 1.888 0.001 . 2 . . . A 8 PRO HG2 . 30094 1 42 . 1 1 8 8 PRO HG3 H 1 1.888 0.001 . 2 . . . A 8 PRO HG3 . 30094 1 43 . 1 1 8 8 PRO HD2 H 1 3.398 0.015 . 2 . . . A 8 PRO HD2 . 30094 1 44 . 1 1 8 8 PRO HD3 H 1 3.398 0.015 . 2 . . . A 8 PRO HD3 . 30094 1 45 . 1 1 8 8 PRO C C 13 176.568 0.000 . 1 . . . A 8 PRO C . 30094 1 46 . 1 1 8 8 PRO CA C 13 63.010 0.084 . 1 . . . A 8 PRO CA . 30094 1 47 . 1 1 8 8 PRO CB C 13 31.940 0.032 . 1 . . . A 8 PRO CB . 30094 1 48 . 1 1 8 8 PRO CG C 13 27.560 0.058 . 1 . . . A 8 PRO CG . 30094 1 49 . 1 1 8 8 PRO CD C 13 49.420 0.032 . 1 . . . A 8 PRO CD . 30094 1 50 . 1 1 9 9 ILE N N 15 122.620 0.000 . 1 . . . A 9 ILE N . 30094 1 51 . 1 1 16 16 ILE H H 1 8.874 0.000 . 1 . . . A 16 ILE H . 30094 1 52 . 1 1 16 16 ILE HA H 1 4.393 0.032 . 1 . . . A 16 ILE HA . 30094 1 53 . 1 1 16 16 ILE HB H 1 1.820 0.000 . 1 . . . A 16 ILE HB . 30094 1 54 . 1 1 16 16 ILE C C 13 173.615 0.023 . 1 . . . A 16 ILE C . 30094 1 55 . 1 1 16 16 ILE CA C 13 60.068 0.084 . 1 . . . A 16 ILE CA . 30094 1 56 . 1 1 16 16 ILE CB C 13 35.256 0.006 . 1 . . . A 16 ILE CB . 30094 1 57 . 1 1 16 16 ILE N N 15 122.809 0.027 . 1 . . . A 16 ILE N . 30094 1 58 . 1 1 17 17 VAL H H 1 8.886 0.000 . 1 . . . A 17 VAL H . 30094 1 59 . 1 1 17 17 VAL HA H 1 4.541 0.017 . 1 . . . A 17 VAL HA . 30094 1 60 . 1 1 17 17 VAL HB H 1 1.846 0.000 . 1 . . . A 17 VAL HB . 30094 1 61 . 1 1 17 17 VAL HG11 H 1 0.730 0.017 . 2 . . . A 17 VAL HG11 . 30094 1 62 . 1 1 17 17 VAL HG12 H 1 0.730 0.017 . 2 . . . A 17 VAL HG12 . 30094 1 63 . 1 1 17 17 VAL HG13 H 1 0.730 0.017 . 2 . . . A 17 VAL HG13 . 30094 1 64 . 1 1 17 17 VAL C C 13 175.131 0.046 . 1 . . . A 17 VAL C . 30094 1 65 . 1 1 17 17 VAL CA C 13 61.721 0.079 . 1 . . . A 17 VAL CA . 30094 1 66 . 1 1 17 17 VAL CB C 13 33.846 0.122 . 1 . . . A 17 VAL CB . 30094 1 67 . 1 1 17 17 VAL CG1 C 13 19.838 0.039 . 2 . . . A 17 VAL CG1 . 30094 1 68 . 1 1 17 17 VAL N N 15 124.812 0.027 . 1 . . . A 17 VAL N . 30094 1 69 . 1 1 18 18 TRP H H 1 10.204 0.020 . 1 . . . A 18 TRP H . 30094 1 70 . 1 1 18 18 TRP HA H 1 5.179 0.011 . 1 . . . A 18 TRP HA . 30094 1 71 . 1 1 18 18 TRP HB2 H 1 2.910 0.020 . 2 . . . A 18 TRP HB2 . 30094 1 72 . 1 1 18 18 TRP HB3 H 1 2.910 0.020 . 2 . . . A 18 TRP HB3 . 30094 1 73 . 1 1 18 18 TRP C C 13 175.664 0.011 . 1 . . . A 18 TRP C . 30094 1 74 . 1 1 18 18 TRP CA C 13 58.868 0.057 . 1 . . . A 18 TRP CA . 30094 1 75 . 1 1 18 18 TRP CB C 13 32.669 0.000 . 1 . . . A 18 TRP CB . 30094 1 76 . 1 1 18 18 TRP N N 15 128.570 0.117 . 1 . . . A 18 TRP N . 30094 1 77 . 1 1 19 19 SER H H 1 9.114 0.020 . 1 . . . A 19 SER H . 30094 1 78 . 1 1 19 19 SER HA H 1 5.572 0.013 . 1 . . . A 19 SER HA . 30094 1 79 . 1 1 19 19 SER HB2 H 1 4.218 0.000 . 2 . . . A 19 SER HB2 . 30094 1 80 . 1 1 19 19 SER HB3 H 1 4.218 0.000 . 2 . . . A 19 SER HB3 . 30094 1 81 . 1 1 19 19 SER C C 13 174.082 0.011 . 1 . . . A 19 SER C . 30094 1 82 . 1 1 19 19 SER CA C 13 56.198 0.105 . 1 . . . A 19 SER CA . 30094 1 83 . 1 1 19 19 SER CB C 13 66.592 0.025 . 1 . . . A 19 SER CB . 30094 1 84 . 1 1 19 19 SER N N 15 112.757 0.028 . 1 . . . A 19 SER N . 30094 1 85 . 1 1 20 20 ASP H H 1 7.211 0.020 . 1 . . . A 20 ASP H . 30094 1 86 . 1 1 20 20 ASP HA H 1 4.924 0.025 . 1 . . . A 20 ASP HA . 30094 1 87 . 1 1 20 20 ASP HB2 H 1 2.361 0.000 . 2 . . . A 20 ASP HB2 . 30094 1 88 . 1 1 20 20 ASP HB3 H 1 3.742 0.001 . 2 . . . A 20 ASP HB3 . 30094 1 89 . 1 1 20 20 ASP C C 13 175.123 0.004 . 1 . . . A 20 ASP C . 30094 1 90 . 1 1 20 20 ASP CA C 13 50.761 0.059 . 1 . . . A 20 ASP CA . 30094 1 91 . 1 1 20 20 ASP CB C 13 41.611 0.041 . 1 . . . A 20 ASP CB . 30094 1 92 . 1 1 20 20 ASP N N 15 125.806 0.018 . 1 . . . A 20 ASP N . 30094 1 93 . 1 1 21 21 PRO HA H 1 4.418 0.010 . 1 . . . A 21 PRO HA . 30094 1 94 . 1 1 21 21 PRO HB2 H 1 1.869 0.016 . 2 . . . A 21 PRO HB2 . 30094 1 95 . 1 1 21 21 PRO HB3 H 1 2.093 0.000 . 2 . . . A 21 PRO HB3 . 30094 1 96 . 1 1 21 21 PRO HD2 H 1 3.854 0.000 . 2 . . . A 21 PRO HD2 . 30094 1 97 . 1 1 21 21 PRO HD3 H 1 3.515 0.000 . 2 . . . A 21 PRO HD3 . 30094 1 98 . 1 1 21 21 PRO C C 13 176.827 0.045 . 1 . . . A 21 PRO C . 30094 1 99 . 1 1 21 21 PRO CA C 13 64.830 0.067 . 1 . . . A 21 PRO CA . 30094 1 100 . 1 1 21 21 PRO CB C 13 32.487 0.047 . 1 . . . A 21 PRO CB . 30094 1 101 . 1 1 21 21 PRO CG C 13 27.157 0.040 . 1 . . . A 21 PRO CG . 30094 1 102 . 1 1 21 21 PRO CD C 13 50.488 0.064 . 1 . . . A 21 PRO CD . 30094 1 103 . 1 1 21 21 PRO N N 15 134.384 0.000 . 1 . . . A 21 PRO N . 30094 1 104 . 1 1 22 22 THR H H 1 8.535 0.020 . 1 . . . A 22 THR H . 30094 1 105 . 1 1 22 22 THR HA H 1 4.380 0.016 . 1 . . . A 22 THR HA . 30094 1 106 . 1 1 22 22 THR HB H 1 4.380 0.002 . 1 . . . A 22 THR HB . 30094 1 107 . 1 1 22 22 THR HG21 H 1 1.110 0.004 . 1 . . . A 22 THR HG21 . 30094 1 108 . 1 1 22 22 THR HG22 H 1 1.110 0.004 . 1 . . . A 22 THR HG22 . 30094 1 109 . 1 1 22 22 THR HG23 H 1 1.110 0.004 . 1 . . . A 22 THR HG23 . 30094 1 110 . 1 1 22 22 THR C C 13 174.953 0.043 . 1 . . . A 22 THR C . 30094 1 111 . 1 1 22 22 THR CA C 13 61.313 0.039 . 1 . . . A 22 THR CA . 30094 1 112 . 1 1 22 22 THR CB C 13 69.710 0.021 . 1 . . . A 22 THR CB . 30094 1 113 . 1 1 22 22 THR CG2 C 13 22.163 0.014 . 1 . . . A 22 THR CG2 . 30094 1 114 . 1 1 22 22 THR N N 15 106.099 0.040 . 1 . . . A 22 THR N . 30094 1 115 . 1 1 23 23 ARG H H 1 8.019 0.020 . 1 . . . A 23 ARG H . 30094 1 116 . 1 1 23 23 ARG HA H 1 4.238 0.070 . 1 . . . A 23 ARG HA . 30094 1 117 . 1 1 23 23 ARG HB2 H 1 1.503 0.020 . 2 . . . A 23 ARG HB2 . 30094 1 118 . 1 1 23 23 ARG HB3 H 1 1.309 0.020 . 2 . . . A 23 ARG HB3 . 30094 1 119 . 1 1 23 23 ARG HG2 H 1 1.494 0.016 . 2 . . . A 23 ARG HG2 . 30094 1 120 . 1 1 23 23 ARG HG3 H 1 1.232 0.013 . 2 . . . A 23 ARG HG3 . 30094 1 121 . 1 1 23 23 ARG HD2 H 1 3.068 0.000 . 2 . . . A 23 ARG HD2 . 30094 1 122 . 1 1 23 23 ARG HD3 H 1 2.815 0.000 . 2 . . . A 23 ARG HD3 . 30094 1 123 . 1 1 23 23 ARG C C 13 173.727 0.073 . 1 . . . A 23 ARG C . 30094 1 124 . 1 1 23 23 ARG CA C 13 57.442 0.065 . 1 . . . A 23 ARG CA . 30094 1 125 . 1 1 23 23 ARG CB C 13 28.325 0.085 . 1 . . . A 23 ARG CB . 30094 1 126 . 1 1 23 23 ARG CG C 13 26.991 0.000 . 1 . . . A 23 ARG CG . 30094 1 127 . 1 1 23 23 ARG CD C 13 43.320 0.091 . 1 . . . A 23 ARG CD . 30094 1 128 . 1 1 23 23 ARG N N 15 126.442 0.033 . 1 . . . A 23 ARG N . 30094 1 129 . 1 1 24 24 LEU H H 1 8.788 0.000 . 1 . . . A 24 LEU H . 30094 1 130 . 1 1 24 24 LEU HA H 1 4.275 0.045 . 1 . . . A 24 LEU HA . 30094 1 131 . 1 1 24 24 LEU HB2 H 1 1.214 0.000 . 2 . . . A 24 LEU HB2 . 30094 1 132 . 1 1 24 24 LEU HB3 H 1 1.422 0.000 . 2 . . . A 24 LEU HB3 . 30094 1 133 . 1 1 24 24 LEU C C 13 177.353 0.018 . 1 . . . A 24 LEU C . 30094 1 134 . 1 1 24 24 LEU CA C 13 57.444 0.081 . 1 . . . A 24 LEU CA . 30094 1 135 . 1 1 24 24 LEU CB C 13 42.082 0.076 . 1 . . . A 24 LEU CB . 30094 1 136 . 1 1 24 24 LEU CG C 13 27.685 0.000 . 1 . . . A 24 LEU CG . 30094 1 137 . 1 1 24 24 LEU N N 15 126.748 0.109 . 1 . . . A 24 LEU N . 30094 1 138 . 1 1 25 25 SER H H 1 7.457 0.000 . 1 . . . A 25 SER H . 30094 1 139 . 1 1 25 25 SER HA H 1 4.016 0.005 . 1 . . . A 25 SER HA . 30094 1 140 . 1 1 25 25 SER HB2 H 1 3.708 0.000 . 2 . . . A 25 SER HB2 . 30094 1 141 . 1 1 25 25 SER HB3 H 1 3.708 0.000 . 2 . . . A 25 SER HB3 . 30094 1 142 . 1 1 25 25 SER C C 13 174.661 0.008 . 1 . . . A 25 SER C . 30094 1 143 . 1 1 25 25 SER CA C 13 58.236 0.115 . 1 . . . A 25 SER CA . 30094 1 144 . 1 1 25 25 SER CB C 13 62.789 0.154 . 1 . . . A 25 SER CB . 30094 1 145 . 1 1 25 25 SER N N 15 108.983 0.076 . 1 . . . A 25 SER N . 30094 1 146 . 1 1 26 26 THR H H 1 8.520 0.021 . 1 . . . A 26 THR H . 30094 1 147 . 1 1 26 26 THR HA H 1 4.804 0.041 . 1 . . . A 26 THR HA . 30094 1 148 . 1 1 26 26 THR HB H 1 4.511 0.020 . 1 . . . A 26 THR HB . 30094 1 149 . 1 1 26 26 THR HG21 H 1 1.529 0.020 . 1 . . . A 26 THR HG21 . 30094 1 150 . 1 1 26 26 THR HG22 H 1 1.529 0.020 . 1 . . . A 26 THR HG22 . 30094 1 151 . 1 1 26 26 THR HG23 H 1 1.529 0.020 . 1 . . . A 26 THR HG23 . 30094 1 152 . 1 1 26 26 THR C C 13 174.169 0.052 . 1 . . . A 26 THR C . 30094 1 153 . 1 1 26 26 THR CA C 13 62.055 0.080 . 1 . . . A 26 THR CA . 30094 1 154 . 1 1 26 26 THR CB C 13 68.937 0.000 . 1 . . . A 26 THR CB . 30094 1 155 . 1 1 26 26 THR CG2 C 13 23.064 0.000 . 1 . . . A 26 THR CG2 . 30094 1 156 . 1 1 26 26 THR N N 15 122.928 0.053 . 1 . . . A 26 THR N . 30094 1 157 . 1 1 27 27 THR H H 1 8.348 0.000 . 1 . . . A 27 THR H . 30094 1 158 . 1 1 27 27 THR HA H 1 5.562 0.018 . 1 . . . A 27 THR HA . 30094 1 159 . 1 1 27 27 THR HB H 1 4.142 0.020 . 1 . . . A 27 THR HB . 30094 1 160 . 1 1 27 27 THR HG21 H 1 1.045 0.020 . 1 . . . A 27 THR HG21 . 30094 1 161 . 1 1 27 27 THR HG22 H 1 1.045 0.020 . 1 . . . A 27 THR HG22 . 30094 1 162 . 1 1 27 27 THR HG23 H 1 1.045 0.020 . 1 . . . A 27 THR HG23 . 30094 1 163 . 1 1 27 27 THR C C 13 174.116 0.000 . 1 . . . A 27 THR C . 30094 1 164 . 1 1 27 27 THR CA C 13 59.160 0.045 . 1 . . . A 27 THR CA . 30094 1 165 . 1 1 27 27 THR CB C 13 73.780 0.000 . 1 . . . A 27 THR CB . 30094 1 166 . 1 1 27 27 THR CG2 C 13 20.959 0.300 . 1 . . . A 27 THR CG2 . 30094 1 167 . 1 1 27 27 THR N N 15 115.143 0.164 . 1 . . . A 27 THR N . 30094 1 168 . 1 1 28 28 PHE H H 1 8.864 0.000 . 1 . . . A 28 PHE H . 30094 1 169 . 1 1 28 28 PHE HA H 1 5.894 0.007 . 1 . . . A 28 PHE HA . 30094 1 170 . 1 1 28 28 PHE HB2 H 1 3.180 0.020 . 2 . . . A 28 PHE HB2 . 30094 1 171 . 1 1 28 28 PHE HB3 H 1 3.180 0.020 . 2 . . . A 28 PHE HB3 . 30094 1 172 . 1 1 28 28 PHE C C 13 173.969 0.032 . 1 . . . A 28 PHE C . 30094 1 173 . 1 1 28 28 PHE CA C 13 56.978 0.041 . 1 . . . A 28 PHE CA . 30094 1 174 . 1 1 28 28 PHE CB C 13 41.965 0.000 . 1 . . . A 28 PHE CB . 30094 1 175 . 1 1 28 28 PHE N N 15 122.237 0.071 . 1 . . . A 28 PHE N . 30094 1 176 . 1 1 29 29 SER H H 1 9.006 0.037 . 1 . . . A 29 SER H . 30094 1 177 . 1 1 29 29 SER HA H 1 5.630 0.014 . 1 . . . A 29 SER HA . 30094 1 178 . 1 1 29 29 SER C C 13 171.649 0.011 . 1 . . . A 29 SER C . 30094 1 179 . 1 1 29 29 SER CA C 13 55.644 0.087 . 1 . . . A 29 SER CA . 30094 1 180 . 1 1 29 29 SER CB C 13 65.473 0.000 . 1 . . . A 29 SER CB . 30094 1 181 . 1 1 29 29 SER N N 15 122.240 0.050 . 1 . . . A 29 SER N . 30094 1 182 . 1 1 30 30 ALA H H 1 8.967 0.002 . 1 . . . A 30 ALA H . 30094 1 183 . 1 1 30 30 ALA HA H 1 5.134 0.013 . 1 . . . A 30 ALA HA . 30094 1 184 . 1 1 30 30 ALA HB1 H 1 1.272 0.008 . 1 . . . A 30 ALA HB1 . 30094 1 185 . 1 1 30 30 ALA HB2 H 1 1.272 0.008 . 1 . . . A 30 ALA HB2 . 30094 1 186 . 1 1 30 30 ALA HB3 H 1 1.272 0.008 . 1 . . . A 30 ALA HB3 . 30094 1 187 . 1 1 30 30 ALA C C 13 174.569 0.007 . 1 . . . A 30 ALA C . 30094 1 188 . 1 1 30 30 ALA CA C 13 49.819 0.058 . 1 . . . A 30 ALA CA . 30094 1 189 . 1 1 30 30 ALA CB C 13 23.529 0.029 . 1 . . . A 30 ALA CB . 30094 1 190 . 1 1 30 30 ALA N N 15 125.446 0.136 . 1 . . . A 30 ALA N . 30094 1 191 . 1 1 31 31 SER H H 1 8.370 0.022 . 1 . . . A 31 SER H . 30094 1 192 . 1 1 31 31 SER HA H 1 5.356 0.026 . 1 . . . A 31 SER HA . 30094 1 193 . 1 1 31 31 SER C C 13 173.308 0.014 . 1 . . . A 31 SER C . 30094 1 194 . 1 1 31 31 SER CA C 13 55.730 0.091 . 1 . . . A 31 SER CA . 30094 1 195 . 1 1 31 31 SER CB C 13 65.174 0.300 . 1 . . . A 31 SER CB . 30094 1 196 . 1 1 31 31 SER N N 15 114.873 0.040 . 1 . . . A 31 SER N . 30094 1 197 . 1 1 32 32 LEU H H 1 8.430 0.035 . 1 . . . A 32 LEU H . 30094 1 198 . 1 1 32 32 LEU HA H 1 5.234 0.017 . 1 . . . A 32 LEU HA . 30094 1 199 . 1 1 32 32 LEU HD11 H 1 0.693 0.020 . 2 . . . A 32 LEU HD11 . 30094 1 200 . 1 1 32 32 LEU HD12 H 1 0.693 0.020 . 2 . . . A 32 LEU HD12 . 30094 1 201 . 1 1 32 32 LEU HD13 H 1 0.693 0.020 . 2 . . . A 32 LEU HD13 . 30094 1 202 . 1 1 32 32 LEU C C 13 175.661 0.005 . 1 . . . A 32 LEU C . 30094 1 203 . 1 1 32 32 LEU CA C 13 53.305 0.070 . 1 . . . A 32 LEU CA . 30094 1 204 . 1 1 32 32 LEU CB C 13 45.102 0.300 . 1 . . . A 32 LEU CB . 30094 1 205 . 1 1 32 32 LEU N N 15 121.455 0.074 . 1 . . . A 32 LEU N . 30094 1 206 . 1 1 33 33 LEU H H 1 8.638 0.038 . 1 . . . A 33 LEU H . 30094 1 207 . 1 1 33 33 LEU HA H 1 4.527 0.021 . 1 . . . A 33 LEU HA . 30094 1 208 . 1 1 33 33 LEU C C 13 174.070 0.000 . 1 . . . A 33 LEU C . 30094 1 209 . 1 1 33 33 LEU CA C 13 54.169 0.090 . 1 . . . A 33 LEU CA . 30094 1 210 . 1 1 33 33 LEU N N 15 123.666 0.049 . 1 . . . A 33 LEU N . 30094 1 211 . 1 1 34 34 ARG H H 1 8.776 0.000 . 1 . . . A 34 ARG H . 30094 1 212 . 1 1 34 34 ARG HA H 1 4.089 0.013 . 1 . . . A 34 ARG HA . 30094 1 213 . 1 1 34 34 ARG C C 13 174.896 0.000 . 1 . . . A 34 ARG C . 30094 1 214 . 1 1 34 34 ARG CA C 13 60.609 0.057 . 1 . . . A 34 ARG CA . 30094 1 215 . 1 1 34 34 ARG CB C 13 32.403 0.000 . 1 . . . A 34 ARG CB . 30094 1 216 . 1 1 34 34 ARG N N 15 127.938 0.148 . 1 . . . A 34 ARG N . 30094 1 217 . 1 1 40 40 GLY HA2 H 1 4.087 0.020 . 2 . . . A 40 GLY HA2 . 30094 1 218 . 1 1 40 40 GLY HA3 H 1 3.566 0.020 . 2 . . . A 40 GLY HA3 . 30094 1 219 . 1 1 40 40 GLY C C 13 173.587 0.300 . 1 . . . A 40 GLY C . 30094 1 220 . 1 1 40 40 GLY CA C 13 45.049 0.300 . 1 . . . A 40 GLY CA . 30094 1 221 . 1 1 41 41 ILE H H 1 8.068 0.020 . 1 . . . A 41 ILE H . 30094 1 222 . 1 1 41 41 ILE HA H 1 4.125 0.020 . 1 . . . A 41 ILE HA . 30094 1 223 . 1 1 41 41 ILE HB H 1 2.003 0.020 . 1 . . . A 41 ILE HB . 30094 1 224 . 1 1 41 41 ILE HG21 H 1 0.821 0.020 . 1 . . . A 41 ILE HG21 . 30094 1 225 . 1 1 41 41 ILE HG22 H 1 0.821 0.020 . 1 . . . A 41 ILE HG22 . 30094 1 226 . 1 1 41 41 ILE HG23 H 1 0.821 0.020 . 1 . . . A 41 ILE HG23 . 30094 1 227 . 1 1 41 41 ILE C C 13 175.688 0.300 . 1 . . . A 41 ILE C . 30094 1 228 . 1 1 41 41 ILE CA C 13 61.544 0.300 . 1 . . . A 41 ILE CA . 30094 1 229 . 1 1 41 41 ILE CB C 13 38.248 0.300 . 1 . . . A 41 ILE CB . 30094 1 230 . 1 1 41 41 ILE CG2 C 13 17.707 0.300 . 1 . . . A 41 ILE CG2 . 30094 1 231 . 1 1 41 41 ILE N N 15 120.404 0.300 . 1 . . . A 41 ILE N . 30094 1 232 . 1 1 42 42 ALA H H 1 8.047 0.020 . 1 . . . A 42 ALA H . 30094 1 233 . 1 1 42 42 ALA HA H 1 4.354 0.020 . 1 . . . A 42 ALA HA . 30094 1 234 . 1 1 42 42 ALA HB1 H 1 1.193 0.020 . 1 . . . A 42 ALA HB1 . 30094 1 235 . 1 1 42 42 ALA HB2 H 1 1.193 0.020 . 1 . . . A 42 ALA HB2 . 30094 1 236 . 1 1 42 42 ALA HB3 H 1 1.193 0.020 . 1 . . . A 42 ALA HB3 . 30094 1 237 . 1 1 42 42 ALA C C 13 174.800 0.300 . 1 . . . A 42 ALA C . 30094 1 238 . 1 1 42 42 ALA CA C 13 51.189 0.300 . 1 . . . A 42 ALA CA . 30094 1 239 . 1 1 42 42 ALA CB C 13 19.846 0.300 . 1 . . . A 42 ALA CB . 30094 1 240 . 1 1 42 42 ALA N N 15 125.288 0.300 . 1 . . . A 42 ALA N . 30094 1 241 . 1 1 43 43 GLU HA H 1 4.818 0.020 . 1 . . . A 43 GLU HA . 30094 1 242 . 1 1 43 43 GLU C C 13 175.251 0.000 . 1 . . . A 43 GLU C . 30094 1 243 . 1 1 43 43 GLU CA C 13 55.450 0.300 . 1 . . . A 43 GLU CA . 30094 1 244 . 1 1 43 43 GLU N N 15 121.671 0.300 . 1 . . . A 43 GLU N . 30094 1 245 . 1 1 44 44 LEU HA H 1 4.570 0.020 . 1 . . . A 44 LEU HA . 30094 1 246 . 1 1 44 44 LEU HB2 H 1 1.564 0.020 . 2 . . . A 44 LEU HB2 . 30094 1 247 . 1 1 44 44 LEU HD11 H 1 0.690 0.020 . 2 . . . A 44 LEU HD11 . 30094 1 248 . 1 1 44 44 LEU HD12 H 1 0.690 0.020 . 2 . . . A 44 LEU HD12 . 30094 1 249 . 1 1 44 44 LEU HD13 H 1 0.690 0.020 . 2 . . . A 44 LEU HD13 . 30094 1 250 . 1 1 44 44 LEU HD21 H 1 0.640 0.020 . 2 . . . A 44 LEU HD21 . 30094 1 251 . 1 1 44 44 LEU HD22 H 1 0.640 0.020 . 2 . . . A 44 LEU HD22 . 30094 1 252 . 1 1 44 44 LEU HD23 H 1 0.640 0.020 . 2 . . . A 44 LEU HD23 . 30094 1 253 . 1 1 44 44 LEU C C 13 175.406 0.000 . 1 . . . A 44 LEU C . 30094 1 254 . 1 1 44 44 LEU CA C 13 52.700 0.300 . 1 . . . A 44 LEU CA . 30094 1 255 . 1 1 44 44 LEU CB C 13 43.495 0.300 . 1 . . . A 44 LEU CB . 30094 1 256 . 1 1 44 44 LEU CG C 13 26.403 0.300 . 1 . . . A 44 LEU CG . 30094 1 257 . 1 1 44 44 LEU N N 15 125.012 0.300 . 1 . . . A 44 LEU N . 30094 1 258 . 1 1 45 45 ASN H H 1 10.500 0.020 . 1 . . . A 45 ASN H . 30094 1 259 . 1 1 45 45 ASN HA H 1 4.718 0.020 . 1 . . . A 45 ASN HA . 30094 1 260 . 1 1 45 45 ASN HB2 H 1 2.820 0.020 . 2 . . . A 45 ASN HB2 . 30094 1 261 . 1 1 45 45 ASN HB3 H 1 2.820 0.020 . 2 . . . A 45 ASN HB3 . 30094 1 262 . 1 1 45 45 ASN C C 13 173.718 0.000 . 1 . . . A 45 ASN C . 30094 1 263 . 1 1 45 45 ASN CA C 13 52.972 0.300 . 1 . . . A 45 ASN CA . 30094 1 264 . 1 1 45 45 ASN CB C 13 39.261 0.300 . 1 . . . A 45 ASN CB . 30094 1 265 . 1 1 45 45 ASN N N 15 124.216 0.300 . 1 . . . A 45 ASN N . 30094 1 266 . 1 1 46 46 ASN H H 1 8.194 0.020 . 1 . . . A 46 ASN H . 30094 1 267 . 1 1 46 46 ASN HA H 1 4.651 0.020 . 1 . . . A 46 ASN HA . 30094 1 268 . 1 1 46 46 ASN HB2 H 1 2.825 0.020 . 2 . . . A 46 ASN HB2 . 30094 1 269 . 1 1 46 46 ASN HB3 H 1 2.825 0.020 . 2 . . . A 46 ASN HB3 . 30094 1 270 . 1 1 46 46 ASN C C 13 175.393 0.000 . 1 . . . A 46 ASN C . 30094 1 271 . 1 1 46 46 ASN CA C 13 55.024 0.300 . 1 . . . A 46 ASN CA . 30094 1 272 . 1 1 46 46 ASN CB C 13 39.890 0.300 . 1 . . . A 46 ASN CB . 30094 1 273 . 1 1 46 46 ASN N N 15 119.800 0.300 . 1 . . . A 46 ASN N . 30094 1 274 . 1 1 47 47 VAL H H 1 8.135 0.020 . 1 . . . A 47 VAL H . 30094 1 275 . 1 1 47 47 VAL HA H 1 4.494 0.020 . 1 . . . A 47 VAL HA . 30094 1 276 . 1 1 47 47 VAL HB H 1 2.362 0.020 . 1 . . . A 47 VAL HB . 30094 1 277 . 1 1 47 47 VAL HG21 H 1 0.676 0.020 . 2 . . . A 47 VAL HG21 . 30094 1 278 . 1 1 47 47 VAL HG22 H 1 0.676 0.020 . 2 . . . A 47 VAL HG22 . 30094 1 279 . 1 1 47 47 VAL HG23 H 1 0.676 0.020 . 2 . . . A 47 VAL HG23 . 30094 1 280 . 1 1 47 47 VAL C C 13 174.546 0.000 . 1 . . . A 47 VAL C . 30094 1 281 . 1 1 47 47 VAL CA C 13 62.150 0.300 . 1 . . . A 47 VAL CA . 30094 1 282 . 1 1 47 47 VAL CB C 13 33.180 0.300 . 1 . . . A 47 VAL CB . 30094 1 283 . 1 1 47 47 VAL CG1 C 13 20.957 0.300 . 2 . . . A 47 VAL CG1 . 30094 1 284 . 1 1 47 47 VAL CG2 C 13 21.340 0.300 . 2 . . . A 47 VAL CG2 . 30094 1 285 . 1 1 47 47 VAL N N 15 128.454 0.300 . 1 . . . A 47 VAL N . 30094 1 286 . 1 1 48 48 SER HA H 1 5.482 0.020 . 1 . . . A 48 SER HA . 30094 1 287 . 1 1 48 48 SER C C 13 174.771 0.000 . 1 . . . A 48 SER C . 30094 1 288 . 1 1 48 48 SER CA C 13 55.500 0.300 . 1 . . . A 48 SER CA . 30094 1 289 . 1 1 48 48 SER CB C 13 62.955 0.300 . 1 . . . A 48 SER CB . 30094 1 290 . 1 1 49 49 GLY H H 1 8.018 0.020 . 1 . . . A 49 GLY H . 30094 1 291 . 1 1 49 49 GLY HA2 H 1 3.200 0.020 . 2 . . . A 49 GLY HA2 . 30094 1 292 . 1 1 49 49 GLY HA3 H 1 4.900 0.020 . 2 . . . A 49 GLY HA3 . 30094 1 293 . 1 1 49 49 GLY C C 13 170.570 0.000 . 1 . . . A 49 GLY C . 30094 1 294 . 1 1 49 49 GLY CA C 13 44.716 0.300 . 1 . . . A 49 GLY CA . 30094 1 295 . 1 1 49 49 GLY N N 15 103.960 0.300 . 1 . . . A 49 GLY N . 30094 1 296 . 1 1 50 50 GLN H H 1 8.607 0.020 . 1 . . . A 50 GLN H . 30094 1 297 . 1 1 50 50 GLN HA H 1 4.956 0.020 . 1 . . . A 50 GLN HA . 30094 1 298 . 1 1 50 50 GLN HB2 H 1 1.595 0.020 . 2 . . . A 50 GLN HB2 . 30094 1 299 . 1 1 50 50 GLN HG2 H 1 1.851 0.020 . 2 . . . A 50 GLN HG2 . 30094 1 300 . 1 1 50 50 GLN HG3 H 1 1.851 0.020 . 2 . . . A 50 GLN HG3 . 30094 1 301 . 1 1 50 50 GLN C C 13 174.022 0.000 . 1 . . . A 50 GLN C . 30094 1 302 . 1 1 50 50 GLN CA C 13 53.803 0.300 . 1 . . . A 50 GLN CA . 30094 1 303 . 1 1 50 50 GLN CB C 13 30.751 0.300 . 1 . . . A 50 GLN CB . 30094 1 304 . 1 1 50 50 GLN CG C 13 34.350 0.300 . 1 . . . A 50 GLN CG . 30094 1 305 . 1 1 50 50 GLN N N 15 123.700 0.300 . 1 . . . A 50 GLN N . 30094 1 306 . 1 1 51 51 TYR H H 1 9.640 0.020 . 1 . . . A 51 TYR H . 30094 1 307 . 1 1 51 51 TYR HA H 1 5.275 0.020 . 1 . . . A 51 TYR HA . 30094 1 308 . 1 1 51 51 TYR HB2 H 1 2.670 0.020 . 2 . . . A 51 TYR HB2 . 30094 1 309 . 1 1 51 51 TYR HB3 H 1 2.670 0.020 . 2 . . . A 51 TYR HB3 . 30094 1 310 . 1 1 51 51 TYR C C 13 174.999 0.000 . 1 . . . A 51 TYR C . 30094 1 311 . 1 1 51 51 TYR CA C 13 55.793 0.300 . 1 . . . A 51 TYR CA . 30094 1 312 . 1 1 51 51 TYR CB C 13 39.735 0.300 . 1 . . . A 51 TYR CB . 30094 1 313 . 1 1 51 51 TYR N N 15 128.850 0.300 . 1 . . . A 51 TYR N . 30094 1 314 . 1 1 52 52 VAL H H 1 8.983 0.020 . 1 . . . A 52 VAL H . 30094 1 315 . 1 1 52 52 VAL HA H 1 5.347 0.020 . 1 . . . A 52 VAL HA . 30094 1 316 . 1 1 52 52 VAL HB H 1 1.896 0.020 . 1 . . . A 52 VAL HB . 30094 1 317 . 1 1 52 52 VAL HG11 H 1 0.751 0.020 . 2 . . . A 52 VAL HG11 . 30094 1 318 . 1 1 52 52 VAL HG12 H 1 0.751 0.020 . 2 . . . A 52 VAL HG12 . 30094 1 319 . 1 1 52 52 VAL HG13 H 1 0.751 0.020 . 2 . . . A 52 VAL HG13 . 30094 1 320 . 1 1 52 52 VAL HG21 H 1 0.811 0.020 . 2 . . . A 52 VAL HG21 . 30094 1 321 . 1 1 52 52 VAL HG22 H 1 0.811 0.020 . 2 . . . A 52 VAL HG22 . 30094 1 322 . 1 1 52 52 VAL HG23 H 1 0.811 0.020 . 2 . . . A 52 VAL HG23 . 30094 1 323 . 1 1 52 52 VAL C C 13 175.905 0.000 . 1 . . . A 52 VAL C . 30094 1 324 . 1 1 52 52 VAL CA C 13 61.260 0.300 . 1 . . . A 52 VAL CA . 30094 1 325 . 1 1 52 52 VAL CB C 13 34.838 0.300 . 1 . . . A 52 VAL CB . 30094 1 326 . 1 1 52 52 VAL CG1 C 13 20.323 0.300 . 2 . . . A 52 VAL CG1 . 30094 1 327 . 1 1 52 52 VAL CG2 C 13 20.726 0.300 . 2 . . . A 52 VAL CG2 . 30094 1 328 . 1 1 52 52 VAL N N 15 124.500 0.300 . 1 . . . A 52 VAL N . 30094 1 329 . 1 1 53 53 SER H H 1 10.294 0.020 . 1 . . . A 53 SER H . 30094 1 330 . 1 1 53 53 SER HA H 1 5.570 0.020 . 1 . . . A 53 SER HA . 30094 1 331 . 1 1 53 53 SER C C 13 172.838 0.000 . 1 . . . A 53 SER C . 30094 1 332 . 1 1 53 53 SER CA C 13 58.907 0.300 . 1 . . . A 53 SER CA . 30094 1 333 . 1 1 53 53 SER CB C 13 63.360 0.300 . 1 . . . A 53 SER CB . 30094 1 334 . 1 1 53 53 SER N N 15 128.855 0.300 . 1 . . . A 53 SER N . 30094 1 335 . 1 1 54 54 VAL H H 1 8.864 0.020 . 1 . . . A 54 VAL H . 30094 1 336 . 1 1 54 54 VAL HA H 1 4.957 0.020 . 1 . . . A 54 VAL HA . 30094 1 337 . 1 1 54 54 VAL HB H 1 2.083 0.020 . 1 . . . A 54 VAL HB . 30094 1 338 . 1 1 54 54 VAL HG11 H 1 0.777 0.020 . 2 . . . A 54 VAL HG11 . 30094 1 339 . 1 1 54 54 VAL HG12 H 1 0.777 0.020 . 2 . . . A 54 VAL HG12 . 30094 1 340 . 1 1 54 54 VAL HG13 H 1 0.777 0.020 . 2 . . . A 54 VAL HG13 . 30094 1 341 . 1 1 54 54 VAL HG21 H 1 0.822 0.020 . 2 . . . A 54 VAL HG21 . 30094 1 342 . 1 1 54 54 VAL HG22 H 1 0.822 0.020 . 2 . . . A 54 VAL HG22 . 30094 1 343 . 1 1 54 54 VAL HG23 H 1 0.822 0.020 . 2 . . . A 54 VAL HG23 . 30094 1 344 . 1 1 54 54 VAL CA C 13 61.756 0.300 . 1 . . . A 54 VAL CA . 30094 1 345 . 1 1 54 54 VAL CB C 13 35.268 0.300 . 1 . . . A 54 VAL CB . 30094 1 346 . 1 1 54 54 VAL CG1 C 13 21.444 0.300 . 2 . . . A 54 VAL CG1 . 30094 1 347 . 1 1 54 54 VAL CG2 C 13 21.349 0.300 . 2 . . . A 54 VAL CG2 . 30094 1 348 . 1 1 54 54 VAL N N 15 124.200 0.300 . 1 . . . A 54 VAL N . 30094 1 349 . 1 1 55 55 TYR HA H 1 5.880 0.020 . 1 . . . A 55 TYR HA . 30094 1 350 . 1 1 55 55 TYR CA C 13 55.900 0.300 . 1 . . . A 55 TYR CA . 30094 1 351 . 1 1 55 55 TYR N N 15 123.100 0.300 . 1 . . . A 55 TYR N . 30094 1 352 . 1 1 57 57 ARG HA H 1 4.963 0.020 . 1 . . . A 57 ARG HA . 30094 1 353 . 1 1 57 57 ARG HB2 H 1 1.767 0.020 . 2 . . . A 57 ARG HB2 . 30094 1 354 . 1 1 57 57 ARG HB3 H 1 1.767 0.020 . 2 . . . A 57 ARG HB3 . 30094 1 355 . 1 1 57 57 ARG CA C 13 50.134 0.300 . 1 . . . A 57 ARG CA . 30094 1 356 . 1 1 57 57 ARG CB C 13 32.393 0.300 . 1 . . . A 57 ARG CB . 30094 1 357 . 1 1 58 58 PRO HA H 1 4.704 0.020 . 1 . . . A 58 PRO HA . 30094 1 358 . 1 1 58 58 PRO HB2 H 1 1.837 0.020 . 2 . . . A 58 PRO HB2 . 30094 1 359 . 1 1 58 58 PRO HB3 H 1 2.145 0.020 . 2 . . . A 58 PRO HB3 . 30094 1 360 . 1 1 58 58 PRO HG2 H 1 1.772 0.020 . 2 . . . A 58 PRO HG2 . 30094 1 361 . 1 1 58 58 PRO HG3 H 1 2.053 0.020 . 2 . . . A 58 PRO HG3 . 30094 1 362 . 1 1 58 58 PRO HD3 H 1 3.985 0.020 . 2 . . . A 58 PRO HD3 . 30094 1 363 . 1 1 58 58 PRO CA C 13 63.300 0.300 . 1 . . . A 58 PRO CA . 30094 1 364 . 1 1 58 58 PRO CB C 13 31.982 0.300 . 1 . . . A 58 PRO CB . 30094 1 365 . 1 1 58 58 PRO CG C 13 27.381 0.300 . 1 . . . A 58 PRO CG . 30094 1 366 . 1 1 58 58 PRO CD C 13 50.793 0.300 . 1 . . . A 58 PRO CD . 30094 1 367 . 1 1 59 59 ALA H H 1 8.727 0.020 . 1 . . . A 59 ALA H . 30094 1 368 . 1 1 59 59 ALA HA H 1 4.160 0.020 . 1 . . . A 59 ALA HA . 30094 1 369 . 1 1 59 59 ALA HB1 H 1 1.152 0.020 . 1 . . . A 59 ALA HB1 . 30094 1 370 . 1 1 59 59 ALA HB2 H 1 1.152 0.020 . 1 . . . A 59 ALA HB2 . 30094 1 371 . 1 1 59 59 ALA HB3 H 1 1.152 0.020 . 1 . . . A 59 ALA HB3 . 30094 1 372 . 1 1 59 59 ALA CA C 13 50.500 0.300 . 1 . . . A 59 ALA CA . 30094 1 373 . 1 1 59 59 ALA CB C 13 16.791 0.300 . 1 . . . A 59 ALA CB . 30094 1 374 . 1 1 60 60 PRO HD2 H 1 3.422 0.020 . 2 . . . A 60 PRO HD2 . 30094 1 375 . 1 1 60 60 PRO CD C 13 49.251 0.300 . 1 . . . A 60 PRO CD . 30094 1 376 . 1 1 63 63 GLU HA H 1 4.910 0.020 . 1 . . . A 63 GLU HA . 30094 1 377 . 1 1 63 63 GLU CA C 13 51.000 0.300 . 1 . . . A 63 GLU CA . 30094 1 378 . 1 1 64 64 GLY HA2 H 1 3.480 0.020 . 2 . . . A 64 GLY HA2 . 30094 1 379 . 1 1 64 64 GLY HA3 H 1 3.960 0.020 . 2 . . . A 64 GLY HA3 . 30094 1 380 . 1 1 64 64 GLY C C 13 175.469 0.000 . 1 . . . A 64 GLY C . 30094 1 381 . 1 1 64 64 GLY CA C 13 46.700 0.300 . 1 . . . A 64 GLY CA . 30094 1 382 . 1 1 64 64 GLY N N 15 101.300 0.300 . 1 . . . A 64 GLY N . 30094 1 383 . 1 1 65 65 CYS H H 1 8.080 0.020 . 1 . . . A 65 CYS H . 30094 1 384 . 1 1 65 65 CYS HA H 1 4.590 0.020 . 1 . . . A 65 CYS HA . 30094 1 385 . 1 1 65 65 CYS C C 13 173.204 0.000 . 1 . . . A 65 CYS C . 30094 1 386 . 1 1 65 65 CYS CA C 13 54.861 0.300 . 1 . . . A 65 CYS CA . 30094 1 387 . 1 1 65 65 CYS CB C 13 40.040 0.300 . 1 . . . A 65 CYS CB . 30094 1 388 . 1 1 65 65 CYS N N 15 118.700 0.300 . 1 . . . A 65 CYS N . 30094 1 389 . 1 1 66 66 ALA H H 1 9.054 0.020 . 1 . . . A 66 ALA H . 30094 1 390 . 1 1 66 66 ALA HA H 1 4.550 0.020 . 1 . . . A 66 ALA HA . 30094 1 391 . 1 1 66 66 ALA HB1 H 1 1.231 0.020 . 1 . . . A 66 ALA HB1 . 30094 1 392 . 1 1 66 66 ALA HB2 H 1 1.231 0.020 . 1 . . . A 66 ALA HB2 . 30094 1 393 . 1 1 66 66 ALA HB3 H 1 1.231 0.020 . 1 . . . A 66 ALA HB3 . 30094 1 394 . 1 1 66 66 ALA C C 13 176.080 0.000 . 1 . . . A 66 ALA C . 30094 1 395 . 1 1 66 66 ALA CA C 13 50.800 0.300 . 1 . . . A 66 ALA CA . 30094 1 396 . 1 1 66 66 ALA CB C 13 19.042 0.300 . 1 . . . A 66 ALA CB . 30094 1 397 . 1 1 66 66 ALA N N 15 133.801 0.300 . 1 . . . A 66 ALA N . 30094 1 398 . 1 1 67 67 ASP H H 1 6.713 0.020 . 1 . . . A 67 ASP H . 30094 1 399 . 1 1 67 67 ASP HA H 1 4.443 0.020 . 1 . . . A 67 ASP HA . 30094 1 400 . 1 1 67 67 ASP HB2 H 1 2.893 0.020 . 2 . . . A 67 ASP HB2 . 30094 1 401 . 1 1 67 67 ASP HB3 H 1 2.678 0.020 . 2 . . . A 67 ASP HB3 . 30094 1 402 . 1 1 67 67 ASP C C 13 177.513 0.300 . 1 . . . A 67 ASP C . 30094 1 403 . 1 1 67 67 ASP CA C 13 54.018 0.300 . 1 . . . A 67 ASP CA . 30094 1 404 . 1 1 67 67 ASP CB C 13 42.389 0.300 . 1 . . . A 67 ASP CB . 30094 1 405 . 1 1 67 67 ASP N N 15 119.346 0.300 . 1 . . . A 67 ASP N . 30094 1 406 . 1 1 68 68 ALA H H 1 9.125 0.020 . 1 . . . A 68 ALA H . 30094 1 407 . 1 1 68 68 ALA HA H 1 4.007 0.020 . 1 . . . A 68 ALA HA . 30094 1 408 . 1 1 68 68 ALA HB1 H 1 1.319 0.020 . 1 . . . A 68 ALA HB1 . 30094 1 409 . 1 1 68 68 ALA HB2 H 1 1.319 0.020 . 1 . . . A 68 ALA HB2 . 30094 1 410 . 1 1 68 68 ALA HB3 H 1 1.319 0.020 . 1 . . . A 68 ALA HB3 . 30094 1 411 . 1 1 68 68 ALA C C 13 178.250 0.300 . 1 . . . A 68 ALA C . 30094 1 412 . 1 1 68 68 ALA CA C 13 53.834 0.300 . 1 . . . A 68 ALA CA . 30094 1 413 . 1 1 68 68 ALA CB C 13 18.329 0.300 . 1 . . . A 68 ALA CB . 30094 1 414 . 1 1 68 68 ALA N N 15 131.979 0.300 . 1 . . . A 68 ALA N . 30094 1 415 . 1 1 69 69 CYS H H 1 9.044 0.020 . 1 . . . A 69 CYS H . 30094 1 416 . 1 1 69 69 CYS HA H 1 4.305 0.020 . 1 . . . A 69 CYS HA . 30094 1 417 . 1 1 69 69 CYS HB2 H 1 2.169 0.020 . 2 . . . A 69 CYS HB2 . 30094 1 418 . 1 1 69 69 CYS HB3 H 1 2.300 0.020 . 2 . . . A 69 CYS HB3 . 30094 1 419 . 1 1 69 69 CYS C C 13 174.151 0.300 . 1 . . . A 69 CYS C . 30094 1 420 . 1 1 69 69 CYS CA C 13 54.081 0.300 . 1 . . . A 69 CYS CA . 30094 1 421 . 1 1 69 69 CYS CB C 13 41.264 0.300 . 1 . . . A 69 CYS CB . 30094 1 422 . 1 1 69 69 CYS N N 15 112.209 0.300 . 1 . . . A 69 CYS N . 30094 1 423 . 1 1 70 70 VAL H H 1 7.113 0.020 . 1 . . . A 70 VAL H . 30094 1 424 . 1 1 70 70 VAL HA H 1 3.750 0.020 . 1 . . . A 70 VAL HA . 30094 1 425 . 1 1 70 70 VAL HB H 1 1.874 0.020 . 1 . . . A 70 VAL HB . 30094 1 426 . 1 1 70 70 VAL HG11 H 1 0.624 0.020 . 2 . . . A 70 VAL HG11 . 30094 1 427 . 1 1 70 70 VAL HG12 H 1 0.624 0.020 . 2 . . . A 70 VAL HG12 . 30094 1 428 . 1 1 70 70 VAL HG13 H 1 0.624 0.020 . 2 . . . A 70 VAL HG13 . 30094 1 429 . 1 1 70 70 VAL C C 13 174.722 0.300 . 1 . . . A 70 VAL C . 30094 1 430 . 1 1 70 70 VAL CA C 13 62.945 0.300 . 1 . . . A 70 VAL CA . 30094 1 431 . 1 1 70 70 VAL CB C 13 31.310 0.300 . 1 . . . A 70 VAL CB . 30094 1 432 . 1 1 70 70 VAL CG1 C 13 20.631 0.300 . 2 . . . A 70 VAL CG1 . 30094 1 433 . 1 1 70 70 VAL N N 15 121.283 0.300 . 1 . . . A 70 VAL N . 30094 1 434 . 1 1 71 71 ILE H H 1 8.185 0.020 . 1 . . . A 71 ILE H . 30094 1 435 . 1 1 71 71 ILE HA H 1 4.077 0.020 . 1 . . . A 71 ILE HA . 30094 1 436 . 1 1 71 71 ILE C C 13 174.880 0.300 . 1 . . . A 71 ILE C . 30094 1 437 . 1 1 71 71 ILE CA C 13 60.530 0.300 . 1 . . . A 71 ILE CA . 30094 1 438 . 1 1 71 71 ILE CB C 13 38.939 0.300 . 1 . . . A 71 ILE CB . 30094 1 439 . 1 1 71 71 ILE N N 15 128.902 0.300 . 1 . . . A 71 ILE N . 30094 1 440 . 1 1 72 72 MET H H 1 8.500 0.020 . 1 . . . A 72 MET H . 30094 1 441 . 1 1 72 72 MET HA H 1 4.130 0.020 . 1 . . . A 72 MET HA . 30094 1 442 . 1 1 72 72 MET HB2 H 1 2.017 0.020 . 2 . . . A 72 MET HB2 . 30094 1 443 . 1 1 72 72 MET C C 13 173.852 0.000 . 1 . . . A 72 MET C . 30094 1 444 . 1 1 72 72 MET CA C 13 55.446 0.300 . 1 . . . A 72 MET CA . 30094 1 445 . 1 1 72 72 MET CB C 13 31.650 0.300 . 1 . . . A 72 MET CB . 30094 1 446 . 1 1 72 72 MET N N 15 123.100 0.300 . 1 . . . A 72 MET N . 30094 1 447 . 1 1 73 73 PRO HA H 1 4.414 0.020 . 1 . . . A 73 PRO HA . 30094 1 448 . 1 1 73 73 PRO HB2 H 1 1.593 0.020 . 2 . . . A 73 PRO HB2 . 30094 1 449 . 1 1 73 73 PRO HB3 H 1 2.258 0.020 . 2 . . . A 73 PRO HB3 . 30094 1 450 . 1 1 73 73 PRO HG2 H 1 1.777 0.020 . 2 . . . A 73 PRO HG2 . 30094 1 451 . 1 1 73 73 PRO HD2 H 1 3.366 0.020 . 2 . . . A 73 PRO HD2 . 30094 1 452 . 1 1 73 73 PRO HD3 H 1 3.522 0.020 . 2 . . . A 73 PRO HD3 . 30094 1 453 . 1 1 73 73 PRO C C 13 174.308 0.000 . 1 . . . A 73 PRO C . 30094 1 454 . 1 1 73 73 PRO CA C 13 61.814 0.300 . 1 . . . A 73 PRO CA . 30094 1 455 . 1 1 73 73 PRO CB C 13 32.091 0.300 . 1 . . . A 73 PRO CB . 30094 1 456 . 1 1 73 73 PRO CG C 13 27.443 0.300 . 1 . . . A 73 PRO CG . 30094 1 457 . 1 1 73 73 PRO CD C 13 49.349 0.300 . 1 . . . A 73 PRO CD . 30094 1 458 . 1 1 74 74 ASN H H 1 8.238 0.020 . 1 . . . A 74 ASN H . 30094 1 459 . 1 1 74 74 ASN HA H 1 5.102 0.020 . 1 . . . A 74 ASN HA . 30094 1 460 . 1 1 74 74 ASN HB2 H 1 2.225 0.020 . 2 . . . A 74 ASN HB2 . 30094 1 461 . 1 1 74 74 ASN HB3 H 1 2.433 0.020 . 2 . . . A 74 ASN HB3 . 30094 1 462 . 1 1 74 74 ASN C C 13 175.725 0.300 . 1 . . . A 74 ASN C . 30094 1 463 . 1 1 74 74 ASN CA C 13 52.192 0.300 . 1 . . . A 74 ASN CA . 30094 1 464 . 1 1 74 74 ASN CB C 13 40.721 0.300 . 1 . . . A 74 ASN CB . 30094 1 465 . 1 1 74 74 ASN N N 15 114.694 0.300 . 1 . . . A 74 ASN N . 30094 1 466 . 1 1 75 75 GLU H H 1 9.072 0.020 . 1 . . . A 75 GLU H . 30094 1 467 . 1 1 75 75 GLU HA H 1 4.707 0.020 . 1 . . . A 75 GLU HA . 30094 1 468 . 1 1 75 75 GLU HB2 H 1 1.550 0.020 . 2 . . . A 75 GLU HB2 . 30094 1 469 . 1 1 75 75 GLU HB3 H 1 2.271 0.020 . 2 . . . A 75 GLU HB3 . 30094 1 470 . 1 1 75 75 GLU HG2 H 1 1.930 0.020 . 2 . . . A 75 GLU HG2 . 30094 1 471 . 1 1 75 75 GLU HG3 H 1 2.316 0.020 . 2 . . . A 75 GLU HG3 . 30094 1 472 . 1 1 75 75 GLU C C 13 173.708 0.300 . 1 . . . A 75 GLU C . 30094 1 473 . 1 1 75 75 GLU CA C 13 53.433 0.300 . 1 . . . A 75 GLU CA . 30094 1 474 . 1 1 75 75 GLU CB C 13 31.794 0.300 . 1 . . . A 75 GLU CB . 30094 1 475 . 1 1 75 75 GLU CG C 13 34.508 0.300 . 1 . . . A 75 GLU CG . 30094 1 476 . 1 1 75 75 GLU N N 15 119.183 0.300 . 1 . . . A 75 GLU N . 30094 1 477 . 1 1 76 76 ASN H H 1 8.783 0.020 . 1 . . . A 76 ASN H . 30094 1 478 . 1 1 76 76 ASN HA H 1 5.092 0.020 . 1 . . . A 76 ASN HA . 30094 1 479 . 1 1 76 76 ASN HB2 H 1 2.338 0.020 . 2 . . . A 76 ASN HB2 . 30094 1 480 . 1 1 76 76 ASN HB3 H 1 2.514 0.020 . 2 . . . A 76 ASN HB3 . 30094 1 481 . 1 1 76 76 ASN C C 13 175.537 0.300 . 1 . . . A 76 ASN C . 30094 1 482 . 1 1 76 76 ASN CA C 13 52.393 0.300 . 1 . . . A 76 ASN CA . 30094 1 483 . 1 1 76 76 ASN CB C 13 38.817 0.300 . 1 . . . A 76 ASN CB . 30094 1 484 . 1 1 76 76 ASN N N 15 120.185 0.300 . 1 . . . A 76 ASN N . 30094 1 485 . 1 1 77 77 GLN H H 1 9.048 0.020 . 1 . . . A 77 GLN H . 30094 1 486 . 1 1 77 77 GLN HA H 1 4.881 0.020 . 1 . . . A 77 GLN HA . 30094 1 487 . 1 1 77 77 GLN HB2 H 1 1.635 0.020 . 2 . . . A 77 GLN HB2 . 30094 1 488 . 1 1 77 77 GLN HB3 H 1 1.635 0.020 . 2 . . . A 77 GLN HB3 . 30094 1 489 . 1 1 77 77 GLN HG2 H 1 2.140 0.020 . 2 . . . A 77 GLN HG2 . 30094 1 490 . 1 1 77 77 GLN HG3 H 1 2.319 0.020 . 2 . . . A 77 GLN HG3 . 30094 1 491 . 1 1 77 77 GLN C C 13 175.834 0.300 . 1 . . . A 77 GLN C . 30094 1 492 . 1 1 77 77 GLN CA C 13 55.433 0.300 . 1 . . . A 77 GLN CA . 30094 1 493 . 1 1 77 77 GLN CB C 13 29.053 0.300 . 1 . . . A 77 GLN CB . 30094 1 494 . 1 1 77 77 GLN CG C 13 33.876 0.300 . 1 . . . A 77 GLN CG . 30094 1 495 . 1 1 77 77 GLN N N 15 125.411 0.300 . 1 . . . A 77 GLN N . 30094 1 496 . 1 1 78 78 SER H H 1 9.001 0.020 . 1 . . . A 78 SER H . 30094 1 497 . 1 1 78 78 SER HA H 1 5.650 0.020 . 1 . . . A 78 SER HA . 30094 1 498 . 1 1 78 78 SER HB2 H 1 3.662 0.020 . 2 . . . A 78 SER HB2 . 30094 1 499 . 1 1 78 78 SER HB3 H 1 3.662 0.020 . 2 . . . A 78 SER HB3 . 30094 1 500 . 1 1 78 78 SER C C 13 172.781 0.300 . 1 . . . A 78 SER C . 30094 1 501 . 1 1 78 78 SER CA C 13 56.308 0.300 . 1 . . . A 78 SER CA . 30094 1 502 . 1 1 78 78 SER CB C 13 66.176 0.300 . 1 . . . A 78 SER CB . 30094 1 503 . 1 1 78 78 SER N N 15 116.857 0.300 . 1 . . . A 78 SER N . 30094 1 504 . 1 1 79 79 ILE H H 1 8.853 0.020 . 1 . . . A 79 ILE H . 30094 1 505 . 1 1 79 79 ILE HA H 1 4.980 0.020 . 1 . . . A 79 ILE HA . 30094 1 506 . 1 1 79 79 ILE HB H 1 1.310 0.020 . 1 . . . A 79 ILE HB . 30094 1 507 . 1 1 79 79 ILE HG12 H 1 0.799 0.020 . 2 . . . A 79 ILE HG12 . 30094 1 508 . 1 1 79 79 ILE HG13 H 1 1.624 0.020 . 2 . . . A 79 ILE HG13 . 30094 1 509 . 1 1 79 79 ILE HG21 H 1 -0.467 0.020 . 1 . . . A 79 ILE HG21 . 30094 1 510 . 1 1 79 79 ILE HG22 H 1 -0.467 0.020 . 1 . . . A 79 ILE HG22 . 30094 1 511 . 1 1 79 79 ILE HG23 H 1 -0.467 0.020 . 1 . . . A 79 ILE HG23 . 30094 1 512 . 1 1 79 79 ILE HD11 H 1 0.847 0.020 . 1 . . . A 79 ILE HD11 . 30094 1 513 . 1 1 79 79 ILE HD12 H 1 0.847 0.020 . 1 . . . A 79 ILE HD12 . 30094 1 514 . 1 1 79 79 ILE HD13 H 1 0.847 0.020 . 1 . . . A 79 ILE HD13 . 30094 1 515 . 1 1 79 79 ILE C C 13 173.938 0.000 . 1 . . . A 79 ILE C . 30094 1 516 . 1 1 79 79 ILE CA C 13 60.283 0.300 . 1 . . . A 79 ILE CA . 30094 1 517 . 1 1 79 79 ILE CB C 13 41.715 0.300 . 1 . . . A 79 ILE CB . 30094 1 518 . 1 1 79 79 ILE CG1 C 13 27.161 0.300 . 1 . . . A 79 ILE CG1 . 30094 1 519 . 1 1 79 79 ILE CG2 C 13 14.290 0.300 . 1 . . . A 79 ILE CG2 . 30094 1 520 . 1 1 79 79 ILE CD1 C 13 14.263 0.300 . 1 . . . A 79 ILE CD1 . 30094 1 521 . 1 1 79 79 ILE N N 15 122.548 0.300 . 1 . . . A 79 ILE N . 30094 1 522 . 1 1 80 80 ARG H H 1 8.926 0.020 . 1 . . . A 80 ARG H . 30094 1 523 . 1 1 80 80 ARG HA H 1 5.686 0.020 . 1 . . . A 80 ARG HA . 30094 1 524 . 1 1 80 80 ARG HB2 H 1 1.706 0.020 . 2 . . . A 80 ARG HB2 . 30094 1 525 . 1 1 80 80 ARG HB3 H 1 1.706 0.020 . 2 . . . A 80 ARG HB3 . 30094 1 526 . 1 1 80 80 ARG C C 13 175.325 0.000 . 1 . . . A 80 ARG C . 30094 1 527 . 1 1 80 80 ARG CA C 13 53.517 0.300 . 1 . . . A 80 ARG CA . 30094 1 528 . 1 1 80 80 ARG CB C 13 33.839 0.300 . 1 . . . A 80 ARG CB . 30094 1 529 . 1 1 80 80 ARG N N 15 126.720 0.300 . 1 . . . A 80 ARG N . 30094 1 530 . 1 1 81 81 THR H H 1 10.002 0.020 . 1 . . . A 81 THR H . 30094 1 531 . 1 1 81 81 THR HA H 1 6.000 0.020 . 1 . . . A 81 THR HA . 30094 1 532 . 1 1 81 81 THR HB H 1 3.966 0.020 . 1 . . . A 81 THR HB . 30094 1 533 . 1 1 81 81 THR HG21 H 1 1.165 0.020 . 1 . . . A 81 THR HG21 . 30094 1 534 . 1 1 81 81 THR HG22 H 1 1.165 0.020 . 1 . . . A 81 THR HG22 . 30094 1 535 . 1 1 81 81 THR HG23 H 1 1.165 0.020 . 1 . . . A 81 THR HG23 . 30094 1 536 . 1 1 81 81 THR C C 13 173.510 0.000 . 1 . . . A 81 THR C . 30094 1 537 . 1 1 81 81 THR CA C 13 61.812 0.300 . 1 . . . A 81 THR CA . 30094 1 538 . 1 1 81 81 THR CB C 13 73.570 0.300 . 1 . . . A 81 THR CB . 30094 1 539 . 1 1 81 81 THR CG2 C 13 22.666 0.300 . 1 . . . A 81 THR CG2 . 30094 1 540 . 1 1 81 81 THR N N 15 125.138 0.300 . 1 . . . A 81 THR N . 30094 1 541 . 1 1 82 82 VAL H H 1 9.674 0.020 . 1 . . . A 82 VAL H . 30094 1 542 . 1 1 82 82 VAL HA H 1 5.460 0.020 . 1 . . . A 82 VAL HA . 30094 1 543 . 1 1 82 82 VAL HB H 1 1.809 0.020 . 1 . . . A 82 VAL HB . 30094 1 544 . 1 1 82 82 VAL HG11 H 1 0.719 0.020 . 2 . . . A 82 VAL HG11 . 30094 1 545 . 1 1 82 82 VAL HG12 H 1 0.719 0.020 . 2 . . . A 82 VAL HG12 . 30094 1 546 . 1 1 82 82 VAL HG13 H 1 0.719 0.020 . 2 . . . A 82 VAL HG13 . 30094 1 547 . 1 1 82 82 VAL HG21 H 1 0.662 0.020 . 2 . . . A 82 VAL HG21 . 30094 1 548 . 1 1 82 82 VAL HG22 H 1 0.662 0.020 . 2 . . . A 82 VAL HG22 . 30094 1 549 . 1 1 82 82 VAL HG23 H 1 0.662 0.020 . 2 . . . A 82 VAL HG23 . 30094 1 550 . 1 1 82 82 VAL C C 13 176.163 0.000 . 1 . . . A 82 VAL C . 30094 1 551 . 1 1 82 82 VAL CA C 13 60.117 0.300 . 1 . . . A 82 VAL CA . 30094 1 552 . 1 1 82 82 VAL CB C 13 33.873 0.300 . 1 . . . A 82 VAL CB . 30094 1 553 . 1 1 82 82 VAL CG1 C 13 20.428 0.300 . 2 . . . A 82 VAL CG1 . 30094 1 554 . 1 1 82 82 VAL CG2 C 13 20.214 0.300 . 2 . . . A 82 VAL CG2 . 30094 1 555 . 1 1 82 82 VAL N N 15 127.585 0.300 . 1 . . . A 82 VAL N . 30094 1 556 . 1 1 83 83 ILE H H 1 9.275 0.020 . 1 . . . A 83 ILE H . 30094 1 557 . 1 1 83 83 ILE HA H 1 4.305 0.020 . 1 . . . A 83 ILE HA . 30094 1 558 . 1 1 83 83 ILE HB H 1 1.243 0.020 . 1 . . . A 83 ILE HB . 30094 1 559 . 1 1 83 83 ILE HG12 H 1 0.086 0.020 . 2 . . . A 83 ILE HG12 . 30094 1 560 . 1 1 83 83 ILE HG13 H 1 0.258 0.020 . 2 . . . A 83 ILE HG13 . 30094 1 561 . 1 1 83 83 ILE HG21 H 1 0.287 0.020 . 1 . . . A 83 ILE HG21 . 30094 1 562 . 1 1 83 83 ILE HG22 H 1 0.287 0.020 . 1 . . . A 83 ILE HG22 . 30094 1 563 . 1 1 83 83 ILE HG23 H 1 0.287 0.020 . 1 . . . A 83 ILE HG23 . 30094 1 564 . 1 1 83 83 ILE HD11 H 1 -1.190 0.020 . 1 . . . A 83 ILE HD11 . 30094 1 565 . 1 1 83 83 ILE HD12 H 1 -1.190 0.020 . 1 . . . A 83 ILE HD12 . 30094 1 566 . 1 1 83 83 ILE HD13 H 1 -1.190 0.020 . 1 . . . A 83 ILE HD13 . 30094 1 567 . 1 1 83 83 ILE C C 13 174.724 0.000 . 1 . . . A 83 ILE C . 30094 1 568 . 1 1 83 83 ILE CA C 13 61.075 0.300 . 1 . . . A 83 ILE CA . 30094 1 569 . 1 1 83 83 ILE CB C 13 39.822 0.300 . 1 . . . A 83 ILE CB . 30094 1 570 . 1 1 83 83 ILE CG1 C 13 27.507 0.300 . 1 . . . A 83 ILE CG1 . 30094 1 571 . 1 1 83 83 ILE CG2 C 13 16.427 0.300 . 1 . . . A 83 ILE CG2 . 30094 1 572 . 1 1 83 83 ILE CD1 C 13 10.800 0.300 . 1 . . . A 83 ILE CD1 . 30094 1 573 . 1 1 83 83 ILE N N 15 130.860 0.300 . 1 . . . A 83 ILE N . 30094 1 574 . 1 1 84 84 SER H H 1 9.218 0.020 . 1 . . . A 84 SER H . 30094 1 575 . 1 1 84 84 SER HA H 1 5.790 0.020 . 1 . . . A 84 SER HA . 30094 1 576 . 1 1 84 84 SER HB2 H 1 3.846 0.020 . 2 . . . A 84 SER HB2 . 30094 1 577 . 1 1 84 84 SER HB3 H 1 3.846 0.020 . 2 . . . A 84 SER HB3 . 30094 1 578 . 1 1 84 84 SER C C 13 172.412 0.300 . 1 . . . A 84 SER C . 30094 1 579 . 1 1 84 84 SER CA C 13 55.954 0.300 . 1 . . . A 84 SER CA . 30094 1 580 . 1 1 84 84 SER CB C 13 64.825 0.300 . 1 . . . A 84 SER CB . 30094 1 581 . 1 1 84 84 SER N N 15 121.744 0.300 . 1 . . . A 84 SER N . 30094 1 582 . 1 1 85 85 GLY H H 1 7.971 0.020 . 1 . . . A 85 GLY H . 30094 1 583 . 1 1 85 85 GLY HA2 H 1 4.350 0.020 . 2 . . . A 85 GLY HA2 . 30094 1 584 . 1 1 85 85 GLY HA3 H 1 4.025 0.020 . 2 . . . A 85 GLY HA3 . 30094 1 585 . 1 1 85 85 GLY C C 13 173.776 0.300 . 1 . . . A 85 GLY C . 30094 1 586 . 1 1 85 85 GLY CA C 13 45.387 0.300 . 1 . . . A 85 GLY CA . 30094 1 587 . 1 1 85 85 GLY N N 15 111.809 0.300 . 1 . . . A 85 GLY N . 30094 1 588 . 1 1 86 86 SER H H 1 10.564 0.020 . 1 . . . A 86 SER H . 30094 1 589 . 1 1 86 86 SER HA H 1 4.580 0.020 . 1 . . . A 86 SER HA . 30094 1 590 . 1 1 86 86 SER HB2 H 1 4.071 0.020 . 2 . . . A 86 SER HB2 . 30094 1 591 . 1 1 86 86 SER HB3 H 1 4.071 0.020 . 2 . . . A 86 SER HB3 . 30094 1 592 . 1 1 86 86 SER C C 13 175.577 0.300 . 1 . . . A 86 SER C . 30094 1 593 . 1 1 86 86 SER CA C 13 59.368 0.300 . 1 . . . A 86 SER CA . 30094 1 594 . 1 1 86 86 SER CB C 13 64.277 0.300 . 1 . . . A 86 SER CB . 30094 1 595 . 1 1 86 86 SER N N 15 121.677 0.300 . 1 . . . A 86 SER N . 30094 1 596 . 1 1 87 87 ALA H H 1 9.039 0.020 . 1 . . . A 87 ALA H . 30094 1 597 . 1 1 87 87 ALA HA H 1 4.140 0.020 . 1 . . . A 87 ALA HA . 30094 1 598 . 1 1 87 87 ALA HB1 H 1 1.445 0.020 . 1 . . . A 87 ALA HB1 . 30094 1 599 . 1 1 87 87 ALA HB2 H 1 1.445 0.020 . 1 . . . A 87 ALA HB2 . 30094 1 600 . 1 1 87 87 ALA HB3 H 1 1.445 0.020 . 1 . . . A 87 ALA HB3 . 30094 1 601 . 1 1 87 87 ALA C C 13 181.599 0.300 . 1 . . . A 87 ALA C . 30094 1 602 . 1 1 87 87 ALA CA C 13 53.421 0.300 . 1 . . . A 87 ALA CA . 30094 1 603 . 1 1 87 87 ALA CB C 13 18.716 0.300 . 1 . . . A 87 ALA CB . 30094 1 604 . 1 1 87 87 ALA N N 15 122.956 0.300 . 1 . . . A 87 ALA N . 30094 1 605 . 1 1 88 88 GLU H H 1 9.510 0.020 . 1 . . . A 88 GLU H . 30094 1 606 . 1 1 88 88 GLU HA H 1 3.878 0.020 . 1 . . . A 88 GLU HA . 30094 1 607 . 1 1 88 88 GLU HB2 H 1 1.589 0.020 . 2 . . . A 88 GLU HB2 . 30094 1 608 . 1 1 88 88 GLU HB3 H 1 2.137 0.020 . 2 . . . A 88 GLU HB3 . 30094 1 609 . 1 1 88 88 GLU HG2 H 1 2.299 0.020 . 2 . . . A 88 GLU HG2 . 30094 1 610 . 1 1 88 88 GLU HG3 H 1 2.740 0.020 . 2 . . . A 88 GLU HG3 . 30094 1 611 . 1 1 88 88 GLU C C 13 178.325 0.300 . 1 . . . A 88 GLU C . 30094 1 612 . 1 1 88 88 GLU CA C 13 61.954 0.300 . 1 . . . A 88 GLU CA . 30094 1 613 . 1 1 88 88 GLU CB C 13 27.504 0.300 . 1 . . . A 88 GLU CB . 30094 1 614 . 1 1 88 88 GLU CG C 13 38.761 0.300 . 1 . . . A 88 GLU CG . 30094 1 615 . 1 1 88 88 GLU N N 15 119.079 0.300 . 1 . . . A 88 GLU N . 30094 1 616 . 1 1 89 89 ASN H H 1 7.619 0.020 . 1 . . . A 89 ASN H . 30094 1 617 . 1 1 89 89 ASN HA H 1 5.250 0.020 . 1 . . . A 89 ASN HA . 30094 1 618 . 1 1 89 89 ASN HB2 H 1 2.952 0.020 . 2 . . . A 89 ASN HB2 . 30094 1 619 . 1 1 89 89 ASN HB3 H 1 2.952 0.020 . 2 . . . A 89 ASN HB3 . 30094 1 620 . 1 1 89 89 ASN C C 13 174.798 0.300 . 1 . . . A 89 ASN C . 30094 1 621 . 1 1 89 89 ASN CA C 13 51.497 0.300 . 1 . . . A 89 ASN CA . 30094 1 622 . 1 1 89 89 ASN CB C 13 37.566 0.300 . 1 . . . A 89 ASN CB . 30094 1 623 . 1 1 89 89 ASN N N 15 117.277 0.300 . 1 . . . A 89 ASN N . 30094 1 624 . 1 1 90 90 LEU H H 1 7.261 0.020 . 1 . . . A 90 LEU H . 30094 1 625 . 1 1 90 90 LEU HA H 1 4.000 0.020 . 1 . . . A 90 LEU HA . 30094 1 626 . 1 1 90 90 LEU HB2 H 1 1.692 0.020 . 2 . . . A 90 LEU HB2 . 30094 1 627 . 1 1 90 90 LEU HB3 H 1 1.955 0.020 . 2 . . . A 90 LEU HB3 . 30094 1 628 . 1 1 90 90 LEU HD11 H 1 0.705 0.020 . 2 . . . A 90 LEU HD11 . 30094 1 629 . 1 1 90 90 LEU HD12 H 1 0.705 0.020 . 2 . . . A 90 LEU HD12 . 30094 1 630 . 1 1 90 90 LEU HD13 H 1 0.705 0.020 . 2 . . . A 90 LEU HD13 . 30094 1 631 . 1 1 90 90 LEU HD21 H 1 0.765 0.020 . 2 . . . A 90 LEU HD21 . 30094 1 632 . 1 1 90 90 LEU HD22 H 1 0.765 0.020 . 2 . . . A 90 LEU HD22 . 30094 1 633 . 1 1 90 90 LEU HD23 H 1 0.765 0.020 . 2 . . . A 90 LEU HD23 . 30094 1 634 . 1 1 90 90 LEU C C 13 177.208 0.300 . 1 . . . A 90 LEU C . 30094 1 635 . 1 1 90 90 LEU CA C 13 58.008 0.300 . 1 . . . A 90 LEU CA . 30094 1 636 . 1 1 90 90 LEU CB C 13 41.942 0.300 . 1 . . . A 90 LEU CB . 30094 1 637 . 1 1 90 90 LEU CG C 13 26.563 0.300 . 1 . . . A 90 LEU CG . 30094 1 638 . 1 1 90 90 LEU CD1 C 13 25.806 0.300 . 2 . . . A 90 LEU CD1 . 30094 1 639 . 1 1 90 90 LEU N N 15 121.317 0.300 . 1 . . . A 90 LEU N . 30094 1 640 . 1 1 91 91 ALA H H 1 8.702 0.020 . 1 . . . A 91 ALA H . 30094 1 641 . 1 1 91 91 ALA HA H 1 3.969 0.020 . 1 . . . A 91 ALA HA . 30094 1 642 . 1 1 91 91 ALA HB1 H 1 1.353 0.020 . 1 . . . A 91 ALA HB1 . 30094 1 643 . 1 1 91 91 ALA HB2 H 1 1.353 0.020 . 1 . . . A 91 ALA HB2 . 30094 1 644 . 1 1 91 91 ALA HB3 H 1 1.353 0.020 . 1 . . . A 91 ALA HB3 . 30094 1 645 . 1 1 91 91 ALA C C 13 182.108 0.300 . 1 . . . A 91 ALA C . 30094 1 646 . 1 1 91 91 ALA CA C 13 56.132 0.300 . 1 . . . A 91 ALA CA . 30094 1 647 . 1 1 91 91 ALA CB C 13 17.763 0.300 . 1 . . . A 91 ALA CB . 30094 1 648 . 1 1 91 91 ALA N N 15 118.018 0.300 . 1 . . . A 91 ALA N . 30094 1 649 . 1 1 92 92 THR H H 1 7.416 0.020 . 1 . . . A 92 THR H . 30094 1 650 . 1 1 92 92 THR HA H 1 4.155 0.020 . 1 . . . A 92 THR HA . 30094 1 651 . 1 1 92 92 THR HB H 1 4.030 0.020 . 1 . . . A 92 THR HB . 30094 1 652 . 1 1 92 92 THR HG21 H 1 1.104 0.020 . 1 . . . A 92 THR HG21 . 30094 1 653 . 1 1 92 92 THR HG22 H 1 1.104 0.020 . 1 . . . A 92 THR HG22 . 30094 1 654 . 1 1 92 92 THR HG23 H 1 1.104 0.020 . 1 . . . A 92 THR HG23 . 30094 1 655 . 1 1 92 92 THR C C 13 177.317 0.300 . 1 . . . A 92 THR C . 30094 1 656 . 1 1 92 92 THR CA C 13 63.542 0.300 . 1 . . . A 92 THR CA . 30094 1 657 . 1 1 92 92 THR CB C 13 69.216 0.300 . 1 . . . A 92 THR CB . 30094 1 658 . 1 1 92 92 THR CG2 C 13 22.714 0.300 . 1 . . . A 92 THR CG2 . 30094 1 659 . 1 1 92 92 THR N N 15 105.741 0.300 . 1 . . . A 92 THR N . 30094 1 660 . 1 1 93 93 LEU H H 1 8.138 0.020 . 1 . . . A 93 LEU H . 30094 1 661 . 1 1 93 93 LEU HA H 1 4.020 0.020 . 1 . . . A 93 LEU HA . 30094 1 662 . 1 1 93 93 LEU HB2 H 1 1.693 0.020 . 2 . . . A 93 LEU HB2 . 30094 1 663 . 1 1 93 93 LEU HB3 H 1 1.902 0.020 . 2 . . . A 93 LEU HB3 . 30094 1 664 . 1 1 93 93 LEU HD11 H 1 0.816 0.020 . 2 . . . A 93 LEU HD11 . 30094 1 665 . 1 1 93 93 LEU HD12 H 1 0.816 0.020 . 2 . . . A 93 LEU HD12 . 30094 1 666 . 1 1 93 93 LEU HD13 H 1 0.816 0.020 . 2 . . . A 93 LEU HD13 . 30094 1 667 . 1 1 93 93 LEU C C 13 180.064 0.300 . 1 . . . A 93 LEU C . 30094 1 668 . 1 1 93 93 LEU CA C 13 57.915 0.300 . 1 . . . A 93 LEU CA . 30094 1 669 . 1 1 93 93 LEU CB C 13 41.786 0.300 . 1 . . . A 93 LEU CB . 30094 1 670 . 1 1 93 93 LEU CG C 13 26.442 0.300 . 1 . . . A 93 LEU CG . 30094 1 671 . 1 1 93 93 LEU CD1 C 13 26.630 0.300 . 2 . . . A 93 LEU CD1 . 30094 1 672 . 1 1 93 93 LEU N N 15 129.127 0.300 . 1 . . . A 93 LEU N . 30094 1 673 . 1 1 94 94 LYS H H 1 8.942 0.020 . 1 . . . A 94 LYS H . 30094 1 674 . 1 1 94 94 LYS HA H 1 4.264 0.020 . 1 . . . A 94 LYS HA . 30094 1 675 . 1 1 94 94 LYS HB2 H 1 1.857 0.020 . 2 . . . A 94 LYS HB2 . 30094 1 676 . 1 1 94 94 LYS HB3 H 1 1.857 0.020 . 2 . . . A 94 LYS HB3 . 30094 1 677 . 1 1 94 94 LYS HG2 H 1 1.326 0.020 . 2 . . . A 94 LYS HG2 . 30094 1 678 . 1 1 94 94 LYS HG3 H 1 1.456 0.020 . 2 . . . A 94 LYS HG3 . 30094 1 679 . 1 1 94 94 LYS C C 13 180.318 0.300 . 1 . . . A 94 LYS C . 30094 1 680 . 1 1 94 94 LYS CA C 13 60.900 0.300 . 1 . . . A 94 LYS CA . 30094 1 681 . 1 1 94 94 LYS CB C 13 32.343 0.300 . 1 . . . A 94 LYS CB . 30094 1 682 . 1 1 94 94 LYS CG C 13 26.630 0.300 . 1 . . . A 94 LYS CG . 30094 1 683 . 1 1 94 94 LYS N N 15 117.604 0.300 . 1 . . . A 94 LYS N . 30094 1 684 . 1 1 95 95 ALA H H 1 7.030 0.020 . 1 . . . A 95 ALA H . 30094 1 685 . 1 1 95 95 ALA HA H 1 4.232 0.020 . 1 . . . A 95 ALA HA . 30094 1 686 . 1 1 95 95 ALA HB1 H 1 1.459 0.020 . 1 . . . A 95 ALA HB1 . 30094 1 687 . 1 1 95 95 ALA HB2 H 1 1.459 0.020 . 1 . . . A 95 ALA HB2 . 30094 1 688 . 1 1 95 95 ALA HB3 H 1 1.459 0.020 . 1 . . . A 95 ALA HB3 . 30094 1 689 . 1 1 95 95 ALA C C 13 181.157 0.300 . 1 . . . A 95 ALA C . 30094 1 690 . 1 1 95 95 ALA CA C 13 55.099 0.300 . 1 . . . A 95 ALA CA . 30094 1 691 . 1 1 95 95 ALA CB C 13 17.063 0.300 . 1 . . . A 95 ALA CB . 30094 1 692 . 1 1 95 95 ALA N N 15 123.464 0.300 . 1 . . . A 95 ALA N . 30094 1 693 . 1 1 96 96 GLU H H 1 8.615 0.020 . 1 . . . A 96 GLU H . 30094 1 694 . 1 1 96 96 GLU HA H 1 3.950 0.020 . 1 . . . A 96 GLU HA . 30094 1 695 . 1 1 96 96 GLU HB2 H 1 1.866 0.020 . 2 . . . A 96 GLU HB2 . 30094 1 696 . 1 1 96 96 GLU HB3 H 1 1.962 0.020 . 2 . . . A 96 GLU HB3 . 30094 1 697 . 1 1 96 96 GLU HG2 H 1 2.200 0.020 . 2 . . . A 96 GLU HG2 . 30094 1 698 . 1 1 96 96 GLU HG3 H 1 2.200 0.020 . 2 . . . A 96 GLU HG3 . 30094 1 699 . 1 1 96 96 GLU C C 13 180.126 0.300 . 1 . . . A 96 GLU C . 30094 1 700 . 1 1 96 96 GLU CA C 13 58.196 0.300 . 1 . . . A 96 GLU CA . 30094 1 701 . 1 1 96 96 GLU CB C 13 29.179 0.300 . 1 . . . A 96 GLU CB . 30094 1 702 . 1 1 96 96 GLU CG C 13 35.538 0.300 . 1 . . . A 96 GLU CG . 30094 1 703 . 1 1 96 96 GLU N N 15 121.201 0.300 . 1 . . . A 96 GLU N . 30094 1 704 . 1 1 97 97 TRP H H 1 8.637 0.020 . 1 . . . A 97 TRP H . 30094 1 705 . 1 1 97 97 TRP HA H 1 4.800 0.020 . 1 . . . A 97 TRP HA . 30094 1 706 . 1 1 97 97 TRP HB2 H 1 3.207 0.020 . 2 . . . A 97 TRP HB2 . 30094 1 707 . 1 1 97 97 TRP HB3 H 1 3.492 0.020 . 2 . . . A 97 TRP HB3 . 30094 1 708 . 1 1 97 97 TRP HE1 H 1 11.020 0.020 . 1 . . . A 97 TRP HE1 . 30094 1 709 . 1 1 97 97 TRP HE3 H 1 7.870 0.020 . 1 . . . A 97 TRP HE3 . 30094 1 710 . 1 1 97 97 TRP HZ2 H 1 8.024 0.020 . 1 . . . A 97 TRP HZ2 . 30094 1 711 . 1 1 97 97 TRP C C 13 176.447 0.300 . 1 . . . A 97 TRP C . 30094 1 712 . 1 1 97 97 TRP CA C 13 59.361 0.300 . 1 . . . A 97 TRP CA . 30094 1 713 . 1 1 97 97 TRP CB C 13 30.506 0.300 . 1 . . . A 97 TRP CB . 30094 1 714 . 1 1 97 97 TRP N N 15 124.071 0.300 . 1 . . . A 97 TRP N . 30094 1 715 . 1 1 97 97 TRP NE1 N 15 128.400 0.300 . 1 . . . A 97 TRP NE1 . 30094 1 716 . 1 1 98 98 GLU H H 1 7.822 0.020 . 1 . . . A 98 GLU H . 30094 1 717 . 1 1 98 98 GLU HA H 1 3.545 0.020 . 1 . . . A 98 GLU HA . 30094 1 718 . 1 1 98 98 GLU HB2 H 1 1.939 0.020 . 2 . . . A 98 GLU HB2 . 30094 1 719 . 1 1 98 98 GLU HB3 H 1 2.070 0.020 . 2 . . . A 98 GLU HB3 . 30094 1 720 . 1 1 98 98 GLU HG2 H 1 2.236 0.020 . 2 . . . A 98 GLU HG2 . 30094 1 721 . 1 1 98 98 GLU HG3 H 1 2.236 0.020 . 2 . . . A 98 GLU HG3 . 30094 1 722 . 1 1 98 98 GLU C C 13 179.628 0.300 . 1 . . . A 98 GLU C . 30094 1 723 . 1 1 98 98 GLU CA C 13 59.279 0.300 . 1 . . . A 98 GLU CA . 30094 1 724 . 1 1 98 98 GLU CB C 13 28.895 0.300 . 1 . . . A 98 GLU CB . 30094 1 725 . 1 1 98 98 GLU CG C 13 35.115 0.300 . 1 . . . A 98 GLU CG . 30094 1 726 . 1 1 98 98 GLU N N 15 117.240 0.300 . 1 . . . A 98 GLU N . 30094 1 727 . 1 1 99 99 THR H H 1 7.866 0.020 . 1 . . . A 99 THR H . 30094 1 728 . 1 1 99 99 THR HA H 1 3.480 0.020 . 1 . . . A 99 THR HA . 30094 1 729 . 1 1 99 99 THR HB H 1 4.054 0.020 . 1 . . . A 99 THR HB . 30094 1 730 . 1 1 99 99 THR HG21 H 1 0.876 0.020 . 1 . . . A 99 THR HG21 . 30094 1 731 . 1 1 99 99 THR HG22 H 1 0.876 0.020 . 1 . . . A 99 THR HG22 . 30094 1 732 . 1 1 99 99 THR HG23 H 1 0.876 0.020 . 1 . . . A 99 THR HG23 . 30094 1 733 . 1 1 99 99 THR C C 13 174.072 0.300 . 1 . . . A 99 THR C . 30094 1 734 . 1 1 99 99 THR CA C 13 66.897 0.300 . 1 . . . A 99 THR CA . 30094 1 735 . 1 1 99 99 THR CB C 13 68.636 0.300 . 1 . . . A 99 THR CB . 30094 1 736 . 1 1 99 99 THR CG2 C 13 22.458 0.300 . 1 . . . A 99 THR CG2 . 30094 1 737 . 1 1 99 99 THR N N 15 117.281 0.300 . 1 . . . A 99 THR N . 30094 1 738 . 1 1 100 100 HIS H H 1 8.929 0.020 . 1 . . . A 100 HIS H . 30094 1 739 . 1 1 100 100 HIS HA H 1 4.406 0.020 . 1 . . . A 100 HIS HA . 30094 1 740 . 1 1 100 100 HIS HB2 H 1 3.201 0.020 . 2 . . . A 100 HIS HB2 . 30094 1 741 . 1 1 100 100 HIS HB3 H 1 3.201 0.020 . 2 . . . A 100 HIS HB3 . 30094 1 742 . 1 1 100 100 HIS C C 13 176.775 0.000 . 1 . . . A 100 HIS C . 30094 1 743 . 1 1 100 100 HIS CA C 13 60.198 0.300 . 1 . . . A 100 HIS CA . 30094 1 744 . 1 1 100 100 HIS CB C 13 27.974 0.300 . 1 . . . A 100 HIS CB . 30094 1 745 . 1 1 100 100 HIS N N 15 123.838 0.300 . 1 . . . A 100 HIS N . 30094 1 746 . 1 1 101 101 LYS H H 1 7.895 0.020 . 1 . . . A 101 LYS H . 30094 1 747 . 1 1 101 101 LYS HA H 1 3.386 0.020 . 1 . . . A 101 LYS HA . 30094 1 748 . 1 1 101 101 LYS HB2 H 1 1.119 0.020 . 2 . . . A 101 LYS HB2 . 30094 1 749 . 1 1 101 101 LYS C C 13 177.226 0.000 . 1 . . . A 101 LYS C . 30094 1 750 . 1 1 101 101 LYS CA C 13 61.047 0.300 . 1 . . . A 101 LYS CA . 30094 1 751 . 1 1 101 101 LYS CB C 13 31.740 0.300 . 1 . . . A 101 LYS CB . 30094 1 752 . 1 1 101 101 LYS CG C 13 24.036 0.300 . 1 . . . A 101 LYS CG . 30094 1 753 . 1 1 101 101 LYS N N 15 115.130 0.300 . 1 . . . A 101 LYS N . 30094 1 754 . 1 1 102 102 ARG H H 1 6.825 0.020 . 1 . . . A 102 ARG H . 30094 1 755 . 1 1 102 102 ARG HA H 1 3.807 0.020 . 1 . . . A 102 ARG HA . 30094 1 756 . 1 1 102 102 ARG HB2 H 1 1.643 0.020 . 2 . . . A 102 ARG HB2 . 30094 1 757 . 1 1 102 102 ARG HB3 H 1 1.643 0.020 . 2 . . . A 102 ARG HB3 . 30094 1 758 . 1 1 102 102 ARG HG2 H 1 1.324 0.020 . 2 . . . A 102 ARG HG2 . 30094 1 759 . 1 1 102 102 ARG HG3 H 1 1.529 0.020 . 2 . . . A 102 ARG HG3 . 30094 1 760 . 1 1 102 102 ARG HD2 H 1 2.642 0.020 . 2 . . . A 102 ARG HD2 . 30094 1 761 . 1 1 102 102 ARG HD3 H 1 2.903 0.020 . 2 . . . A 102 ARG HD3 . 30094 1 762 . 1 1 102 102 ARG CA C 13 58.928 0.300 . 1 . . . A 102 ARG CA . 30094 1 763 . 1 1 102 102 ARG CB C 13 29.656 0.300 . 1 . . . A 102 ARG CB . 30094 1 764 . 1 1 102 102 ARG CG C 13 25.481 0.300 . 1 . . . A 102 ARG CG . 30094 1 765 . 1 1 102 102 ARG CD C 13 43.736 0.300 . 1 . . . A 102 ARG CD . 30094 1 766 . 1 1 102 102 ARG N N 15 116.155 0.300 . 1 . . . A 102 ARG N . 30094 1 767 . 1 1 103 103 ASN H H 1 8.083 0.020 . 1 . . . A 103 ASN H . 30094 1 768 . 1 1 103 103 ASN HA H 1 3.957 0.020 . 1 . . . A 103 ASN HA . 30094 1 769 . 1 1 103 103 ASN HB2 H 1 0.785 0.020 . 2 . . . A 103 ASN HB2 . 30094 1 770 . 1 1 103 103 ASN HB3 H 1 1.688 0.020 . 2 . . . A 103 ASN HB3 . 30094 1 771 . 1 1 103 103 ASN C C 13 176.466 0.000 . 1 . . . A 103 ASN C . 30094 1 772 . 1 1 103 103 ASN CA C 13 55.341 0.300 . 1 . . . A 103 ASN CA . 30094 1 773 . 1 1 103 103 ASN CB C 13 37.119 0.300 . 1 . . . A 103 ASN CB . 30094 1 774 . 1 1 103 103 ASN N N 15 119.031 0.300 . 1 . . . A 103 ASN N . 30094 1 775 . 1 1 104 104 VAL H H 1 8.357 0.020 . 1 . . . A 104 VAL H . 30094 1 776 . 1 1 104 104 VAL HA H 1 2.895 0.020 . 1 . . . A 104 VAL HA . 30094 1 777 . 1 1 104 104 VAL HB H 1 1.649 0.020 . 1 . . . A 104 VAL HB . 30094 1 778 . 1 1 104 104 VAL HG11 H 1 -0.801 0.020 . 2 . . . A 104 VAL HG11 . 30094 1 779 . 1 1 104 104 VAL HG12 H 1 -0.801 0.020 . 2 . . . A 104 VAL HG12 . 30094 1 780 . 1 1 104 104 VAL HG13 H 1 -0.801 0.020 . 2 . . . A 104 VAL HG13 . 30094 1 781 . 1 1 104 104 VAL HG21 H 1 0.093 0.020 . 2 . . . A 104 VAL HG21 . 30094 1 782 . 1 1 104 104 VAL HG22 H 1 0.093 0.020 . 2 . . . A 104 VAL HG22 . 30094 1 783 . 1 1 104 104 VAL HG23 H 1 0.093 0.020 . 2 . . . A 104 VAL HG23 . 30094 1 784 . 1 1 104 104 VAL C C 13 178.929 0.000 . 1 . . . A 104 VAL C . 30094 1 785 . 1 1 104 104 VAL CA C 13 66.865 0.300 . 1 . . . A 104 VAL CA . 30094 1 786 . 1 1 104 104 VAL CB C 13 30.758 0.300 . 1 . . . A 104 VAL CB . 30094 1 787 . 1 1 104 104 VAL CG1 C 13 20.360 0.300 . 2 . . . A 104 VAL CG1 . 30094 1 788 . 1 1 104 104 VAL CG2 C 13 21.723 0.300 . 2 . . . A 104 VAL CG2 . 30094 1 789 . 1 1 104 104 VAL N N 15 119.871 0.300 . 1 . . . A 104 VAL N . 30094 1 790 . 1 1 105 105 ASP H H 1 9.184 0.020 . 1 . . . A 105 ASP H . 30094 1 791 . 1 1 105 105 ASP HA H 1 4.354 0.020 . 1 . . . A 105 ASP HA . 30094 1 792 . 1 1 105 105 ASP HB2 H 1 2.563 0.020 . 2 . . . A 105 ASP HB2 . 30094 1 793 . 1 1 105 105 ASP HB3 H 1 3.130 0.020 . 2 . . . A 105 ASP HB3 . 30094 1 794 . 1 1 105 105 ASP C C 13 179.094 0.000 . 1 . . . A 105 ASP C . 30094 1 795 . 1 1 105 105 ASP CA C 13 57.349 0.300 . 1 . . . A 105 ASP CA . 30094 1 796 . 1 1 105 105 ASP CB C 13 39.017 0.300 . 1 . . . A 105 ASP CB . 30094 1 797 . 1 1 105 105 ASP N N 15 121.448 0.300 . 1 . . . A 105 ASP N . 30094 1 798 . 1 1 106 106 THR H H 1 8.298 0.020 . 1 . . . A 106 THR H . 30094 1 799 . 1 1 106 106 THR HA H 1 4.197 0.020 . 1 . . . A 106 THR HA . 30094 1 800 . 1 1 106 106 THR HB H 1 4.190 0.020 . 1 . . . A 106 THR HB . 30094 1 801 . 1 1 106 106 THR HG1 H 1 5.886 0.020 . 1 . . . A 106 THR HG1 . 30094 1 802 . 1 1 106 106 THR HG21 H 1 0.922 0.020 . 1 . . . A 106 THR HG21 . 30094 1 803 . 1 1 106 106 THR HG22 H 1 0.922 0.020 . 1 . . . A 106 THR HG22 . 30094 1 804 . 1 1 106 106 THR HG23 H 1 0.922 0.020 . 1 . . . A 106 THR HG23 . 30094 1 805 . 1 1 106 106 THR C C 13 175.301 0.000 . 1 . . . A 106 THR C . 30094 1 806 . 1 1 106 106 THR CA C 13 66.459 0.300 . 1 . . . A 106 THR CA . 30094 1 807 . 1 1 106 106 THR CB C 13 67.915 0.300 . 1 . . . A 106 THR CB . 30094 1 808 . 1 1 106 106 THR CG2 C 13 22.768 0.300 . 1 . . . A 106 THR CG2 . 30094 1 809 . 1 1 106 106 THR N N 15 118.241 0.300 . 1 . . . A 106 THR N . 30094 1 810 . 1 1 107 107 LEU H H 1 6.974 0.020 . 1 . . . A 107 LEU H . 30094 1 811 . 1 1 107 107 LEU HA H 1 4.303 0.020 . 1 . . . A 107 LEU HA . 30094 1 812 . 1 1 107 107 LEU HB2 H 1 1.524 0.020 . 2 . . . A 107 LEU HB2 . 30094 1 813 . 1 1 107 107 LEU HB3 H 1 1.724 0.020 . 2 . . . A 107 LEU HB3 . 30094 1 814 . 1 1 107 107 LEU HG H 1 1.734 0.020 . 1 . . . A 107 LEU HG . 30094 1 815 . 1 1 107 107 LEU HD11 H 1 0.848 0.020 . 2 . . . A 107 LEU HD11 . 30094 1 816 . 1 1 107 107 LEU HD12 H 1 0.848 0.020 . 2 . . . A 107 LEU HD12 . 30094 1 817 . 1 1 107 107 LEU HD13 H 1 0.848 0.020 . 2 . . . A 107 LEU HD13 . 30094 1 818 . 1 1 107 107 LEU HD21 H 1 0.724 0.020 . 2 . . . A 107 LEU HD21 . 30094 1 819 . 1 1 107 107 LEU HD22 H 1 0.724 0.020 . 2 . . . A 107 LEU HD22 . 30094 1 820 . 1 1 107 107 LEU HD23 H 1 0.724 0.020 . 2 . . . A 107 LEU HD23 . 30094 1 821 . 1 1 107 107 LEU C C 13 176.368 0.000 . 1 . . . A 107 LEU C . 30094 1 822 . 1 1 107 107 LEU CA C 13 57.108 0.300 . 1 . . . A 107 LEU CA . 30094 1 823 . 1 1 107 107 LEU CB C 13 42.467 0.300 . 1 . . . A 107 LEU CB . 30094 1 824 . 1 1 107 107 LEU CG C 13 26.453 0.300 . 1 . . . A 107 LEU CG . 30094 1 825 . 1 1 107 107 LEU CD1 C 13 22.065 0.300 . 2 . . . A 107 LEU CD1 . 30094 1 826 . 1 1 107 107 LEU CD2 C 13 22.626 0.300 . 2 . . . A 107 LEU CD2 . 30094 1 827 . 1 1 107 107 LEU N N 15 117.347 0.300 . 1 . . . A 107 LEU N . 30094 1 828 . 1 1 108 108 PHE H H 1 9.181 0.020 . 1 . . . A 108 PHE H . 30094 1 829 . 1 1 108 108 PHE HA H 1 4.320 0.020 . 1 . . . A 108 PHE HA . 30094 1 830 . 1 1 108 108 PHE HB2 H 1 2.334 0.020 . 2 . . . A 108 PHE HB2 . 30094 1 831 . 1 1 108 108 PHE HB3 H 1 2.689 0.020 . 2 . . . A 108 PHE HB3 . 30094 1 832 . 1 1 108 108 PHE C C 13 174.623 0.300 . 1 . . . A 108 PHE C . 30094 1 833 . 1 1 108 108 PHE CA C 13 59.540 0.300 . 1 . . . A 108 PHE CA . 30094 1 834 . 1 1 108 108 PHE CB C 13 40.683 0.300 . 1 . . . A 108 PHE CB . 30094 1 835 . 1 1 108 108 PHE N N 15 117.385 0.300 . 1 . . . A 108 PHE N . 30094 1 836 . 1 1 109 109 ALA H H 1 8.117 0.020 . 1 . . . A 109 ALA H . 30094 1 837 . 1 1 109 109 ALA HA H 1 3.962 0.020 . 1 . . . A 109 ALA HA . 30094 1 838 . 1 1 109 109 ALA HB1 H 1 1.607 0.020 . 1 . . . A 109 ALA HB1 . 30094 1 839 . 1 1 109 109 ALA HB2 H 1 1.607 0.020 . 1 . . . A 109 ALA HB2 . 30094 1 840 . 1 1 109 109 ALA HB3 H 1 1.607 0.020 . 1 . . . A 109 ALA HB3 . 30094 1 841 . 1 1 109 109 ALA C C 13 179.373 0.300 . 1 . . . A 109 ALA C . 30094 1 842 . 1 1 109 109 ALA CA C 13 55.242 0.300 . 1 . . . A 109 ALA CA . 30094 1 843 . 1 1 109 109 ALA CB C 13 19.074 0.300 . 1 . . . A 109 ALA CB . 30094 1 844 . 1 1 109 109 ALA N N 15 121.977 0.300 . 1 . . . A 109 ALA N . 30094 1 845 . 1 1 110 110 SER H H 1 8.394 0.020 . 1 . . . A 110 SER H . 30094 1 846 . 1 1 110 110 SER HA H 1 4.483 0.020 . 1 . . . A 110 SER HA . 30094 1 847 . 1 1 110 110 SER HB2 H 1 3.773 0.020 . 2 . . . A 110 SER HB2 . 30094 1 848 . 1 1 110 110 SER HB3 H 1 3.773 0.020 . 2 . . . A 110 SER HB3 . 30094 1 849 . 1 1 110 110 SER C C 13 174.637 0.300 . 1 . . . A 110 SER C . 30094 1 850 . 1 1 110 110 SER CA C 13 57.899 0.300 . 1 . . . A 110 SER CA . 30094 1 851 . 1 1 110 110 SER CB C 13 63.168 0.300 . 1 . . . A 110 SER CB . 30094 1 852 . 1 1 110 110 SER N N 15 110.017 0.300 . 1 . . . A 110 SER N . 30094 1 853 . 1 1 111 111 GLY H H 1 6.009 0.020 . 1 . . . A 111 GLY H . 30094 1 854 . 1 1 111 111 GLY HA2 H 1 3.746 0.020 . 2 . . . A 111 GLY HA2 . 30094 1 855 . 1 1 111 111 GLY HA3 H 1 4.403 0.020 . 2 . . . A 111 GLY HA3 . 30094 1 856 . 1 1 111 111 GLY C C 13 173.891 0.300 . 1 . . . A 111 GLY C . 30094 1 857 . 1 1 111 111 GLY CA C 13 44.346 0.300 . 1 . . . A 111 GLY CA . 30094 1 858 . 1 1 111 111 GLY N N 15 108.165 0.300 . 1 . . . A 111 GLY N . 30094 1 859 . 1 1 112 112 ASN H H 1 8.982 0.020 . 1 . . . A 112 ASN H . 30094 1 860 . 1 1 112 112 ASN HA H 1 5.050 0.020 . 1 . . . A 112 ASN HA . 30094 1 861 . 1 1 112 112 ASN HB2 H 1 2.595 0.020 . 2 . . . A 112 ASN HB2 . 30094 1 862 . 1 1 112 112 ASN HB3 H 1 3.138 0.020 . 2 . . . A 112 ASN HB3 . 30094 1 863 . 1 1 112 112 ASN C C 13 177.548 0.300 . 1 . . . A 112 ASN C . 30094 1 864 . 1 1 112 112 ASN CA C 13 52.600 0.300 . 1 . . . A 112 ASN CA . 30094 1 865 . 1 1 112 112 ASN CB C 13 39.205 0.300 . 1 . . . A 112 ASN CB . 30094 1 866 . 1 1 112 112 ASN N N 15 115.632 0.300 . 1 . . . A 112 ASN N . 30094 1 867 . 1 1 113 113 ALA H H 1 8.769 0.020 . 1 . . . A 113 ALA H . 30094 1 868 . 1 1 113 113 ALA HA H 1 4.626 0.020 . 1 . . . A 113 ALA HA . 30094 1 869 . 1 1 113 113 ALA HB1 H 1 1.470 0.020 . 1 . . . A 113 ALA HB1 . 30094 1 870 . 1 1 113 113 ALA HB2 H 1 1.470 0.020 . 1 . . . A 113 ALA HB2 . 30094 1 871 . 1 1 113 113 ALA HB3 H 1 1.470 0.020 . 1 . . . A 113 ALA HB3 . 30094 1 872 . 1 1 113 113 ALA C C 13 181.289 0.300 . 1 . . . A 113 ALA C . 30094 1 873 . 1 1 113 113 ALA CA C 13 56.032 0.300 . 1 . . . A 113 ALA CA . 30094 1 874 . 1 1 113 113 ALA CB C 13 19.051 0.300 . 1 . . . A 113 ALA CB . 30094 1 875 . 1 1 113 113 ALA N N 15 127.068 0.300 . 1 . . . A 113 ALA N . 30094 1 876 . 1 1 114 114 GLY H H 1 10.094 0.020 . 1 . . . A 114 GLY H . 30094 1 877 . 1 1 114 114 GLY HA2 H 1 4.056 0.020 . 2 . . . A 114 GLY HA2 . 30094 1 878 . 1 1 114 114 GLY HA3 H 1 3.693 0.020 . 2 . . . A 114 GLY HA3 . 30094 1 879 . 1 1 114 114 GLY C C 13 173.879 0.300 . 1 . . . A 114 GLY C . 30094 1 880 . 1 1 114 114 GLY CA C 13 46.069 0.300 . 1 . . . A 114 GLY CA . 30094 1 881 . 1 1 114 114 GLY N N 15 107.290 0.300 . 1 . . . A 114 GLY N . 30094 1 882 . 1 1 115 115 LEU H H 1 7.293 0.020 . 1 . . . A 115 LEU H . 30094 1 883 . 1 1 115 115 LEU HA H 1 4.541 0.020 . 1 . . . A 115 LEU HA . 30094 1 884 . 1 1 115 115 LEU HB2 H 1 1.919 0.020 . 2 . . . A 115 LEU HB2 . 30094 1 885 . 1 1 115 115 LEU HB3 H 1 2.297 0.020 . 2 . . . A 115 LEU HB3 . 30094 1 886 . 1 1 115 115 LEU HG H 1 1.508 0.020 . 1 . . . A 115 LEU HG . 30094 1 887 . 1 1 115 115 LEU HD21 H 1 0.849 0.020 . 2 . . . A 115 LEU HD21 . 30094 1 888 . 1 1 115 115 LEU HD22 H 1 0.849 0.020 . 2 . . . A 115 LEU HD22 . 30094 1 889 . 1 1 115 115 LEU HD23 H 1 0.849 0.020 . 2 . . . A 115 LEU HD23 . 30094 1 890 . 1 1 115 115 LEU C C 13 175.837 0.300 . 1 . . . A 115 LEU C . 30094 1 891 . 1 1 115 115 LEU CA C 13 53.908 0.300 . 1 . . . A 115 LEU CA . 30094 1 892 . 1 1 115 115 LEU CB C 13 43.265 0.300 . 1 . . . A 115 LEU CB . 30094 1 893 . 1 1 115 115 LEU CG C 13 26.047 0.300 . 1 . . . A 115 LEU CG . 30094 1 894 . 1 1 115 115 LEU CD2 C 13 26.018 0.300 . 2 . . . A 115 LEU CD2 . 30094 1 895 . 1 1 115 115 LEU N N 15 113.975 0.300 . 1 . . . A 115 LEU N . 30094 1 896 . 1 1 116 116 GLY H H 1 7.668 0.020 . 1 . . . A 116 GLY H . 30094 1 897 . 1 1 116 116 GLY HA2 H 1 3.149 0.020 . 2 . . . A 116 GLY HA2 . 30094 1 898 . 1 1 116 116 GLY HA3 H 1 4.290 0.020 . 2 . . . A 116 GLY HA3 . 30094 1 899 . 1 1 116 116 GLY C C 13 172.837 0.300 . 1 . . . A 116 GLY C . 30094 1 900 . 1 1 116 116 GLY CA C 13 44.502 0.300 . 1 . . . A 116 GLY CA . 30094 1 901 . 1 1 116 116 GLY N N 15 101.326 0.300 . 1 . . . A 116 GLY N . 30094 1 902 . 1 1 117 117 PHE H H 1 7.428 0.020 . 1 . . . A 117 PHE H . 30094 1 903 . 1 1 117 117 PHE HA H 1 4.772 0.020 . 1 . . . A 117 PHE HA . 30094 1 904 . 1 1 117 117 PHE HB2 H 1 2.850 0.020 . 2 . . . A 117 PHE HB2 . 30094 1 905 . 1 1 117 117 PHE HB3 H 1 2.850 0.020 . 2 . . . A 117 PHE HB3 . 30094 1 906 . 1 1 117 117 PHE C C 13 175.239 0.300 . 1 . . . A 117 PHE C . 30094 1 907 . 1 1 117 117 PHE CA C 13 56.965 0.300 . 1 . . . A 117 PHE CA . 30094 1 908 . 1 1 117 117 PHE CB C 13 40.821 0.300 . 1 . . . A 117 PHE CB . 30094 1 909 . 1 1 117 117 PHE N N 15 118.506 0.300 . 1 . . . A 117 PHE N . 30094 1 910 . 1 1 118 118 LEU H H 1 8.849 0.020 . 1 . . . A 118 LEU H . 30094 1 911 . 1 1 118 118 LEU HA H 1 4.560 0.020 . 1 . . . A 118 LEU HA . 30094 1 912 . 1 1 118 118 LEU HB2 H 1 1.746 0.020 . 2 . . . A 118 LEU HB2 . 30094 1 913 . 1 1 118 118 LEU HB3 H 1 2.528 0.020 . 2 . . . A 118 LEU HB3 . 30094 1 914 . 1 1 118 118 LEU HG H 1 1.524 0.020 . 1 . . . A 118 LEU HG . 30094 1 915 . 1 1 118 118 LEU C C 13 175.934 0.300 . 1 . . . A 118 LEU C . 30094 1 916 . 1 1 118 118 LEU CA C 13 53.319 0.300 . 1 . . . A 118 LEU CA . 30094 1 917 . 1 1 118 118 LEU CB C 13 44.067 0.300 . 1 . . . A 118 LEU CB . 30094 1 918 . 1 1 118 118 LEU CG C 13 26.192 0.300 . 1 . . . A 118 LEU CG . 30094 1 919 . 1 1 118 118 LEU N N 15 123.885 0.300 . 1 . . . A 118 LEU N . 30094 1 920 . 1 1 119 119 ASP H H 1 7.517 0.020 . 1 . . . A 119 ASP H . 30094 1 921 . 1 1 119 119 ASP HA H 1 5.143 0.020 . 1 . . . A 119 ASP HA . 30094 1 922 . 1 1 119 119 ASP HB2 H 1 2.639 0.020 . 2 . . . A 119 ASP HB2 . 30094 1 923 . 1 1 119 119 ASP HB3 H 1 2.953 0.020 . 2 . . . A 119 ASP HB3 . 30094 1 924 . 1 1 119 119 ASP C C 13 174.762 0.000 . 1 . . . A 119 ASP C . 30094 1 925 . 1 1 119 119 ASP CA C 13 49.951 0.300 . 1 . . . A 119 ASP CA . 30094 1 926 . 1 1 119 119 ASP CB C 13 42.210 0.300 . 1 . . . A 119 ASP CB . 30094 1 927 . 1 1 119 119 ASP N N 15 121.952 0.300 . 1 . . . A 119 ASP N . 30094 1 928 . 1 1 120 120 PRO HA H 1 4.473 0.020 . 1 . . . A 120 PRO HA . 30094 1 929 . 1 1 120 120 PRO HB2 H 1 1.958 0.020 . 2 . . . A 120 PRO HB2 . 30094 1 930 . 1 1 120 120 PRO HB3 H 1 2.131 0.020 . 2 . . . A 120 PRO HB3 . 30094 1 931 . 1 1 120 120 PRO HG2 H 1 1.916 0.020 . 2 . . . A 120 PRO HG2 . 30094 1 932 . 1 1 120 120 PRO HG3 H 1 1.916 0.020 . 2 . . . A 120 PRO HG3 . 30094 1 933 . 1 1 120 120 PRO HD2 H 1 4.010 0.020 . 2 . . . A 120 PRO HD2 . 30094 1 934 . 1 1 120 120 PRO HD3 H 1 4.010 0.020 . 2 . . . A 120 PRO HD3 . 30094 1 935 . 1 1 120 120 PRO C C 13 177.695 0.300 . 1 . . . A 120 PRO C . 30094 1 936 . 1 1 120 120 PRO CA C 13 64.340 0.300 . 1 . . . A 120 PRO CA . 30094 1 937 . 1 1 120 120 PRO CB C 13 31.713 0.300 . 1 . . . A 120 PRO CB . 30094 1 938 . 1 1 120 120 PRO CG C 13 26.637 0.300 . 1 . . . A 120 PRO CG . 30094 1 939 . 1 1 120 120 PRO CD C 13 50.437 0.300 . 1 . . . A 120 PRO CD . 30094 1 940 . 1 1 120 120 PRO N N 15 134.368 0.300 . 1 . . . A 120 PRO N . 30094 1 941 . 1 1 121 121 THR H H 1 8.493 0.020 . 1 . . . A 121 THR H . 30094 1 942 . 1 1 121 121 THR HA H 1 4.486 0.020 . 1 . . . A 121 THR HA . 30094 1 943 . 1 1 121 121 THR HB H 1 4.392 0.020 . 1 . . . A 121 THR HB . 30094 1 944 . 1 1 121 121 THR HG21 H 1 1.130 0.020 . 1 . . . A 121 THR HG21 . 30094 1 945 . 1 1 121 121 THR HG22 H 1 1.130 0.020 . 1 . . . A 121 THR HG22 . 30094 1 946 . 1 1 121 121 THR HG23 H 1 1.130 0.020 . 1 . . . A 121 THR HG23 . 30094 1 947 . 1 1 121 121 THR C C 13 174.486 0.300 . 1 . . . A 121 THR C . 30094 1 948 . 1 1 121 121 THR CA C 13 61.416 0.300 . 1 . . . A 121 THR CA . 30094 1 949 . 1 1 121 121 THR CB C 13 69.359 0.300 . 1 . . . A 121 THR CB . 30094 1 950 . 1 1 121 121 THR CG2 C 13 21.786 0.300 . 1 . . . A 121 THR CG2 . 30094 1 951 . 1 1 121 121 THR N N 15 110.510 0.300 . 1 . . . A 121 THR N . 30094 1 952 . 1 1 122 122 ALA H H 1 7.321 0.020 . 1 . . . A 122 ALA H . 30094 1 953 . 1 1 122 122 ALA HA H 1 3.911 0.020 . 1 . . . A 122 ALA HA . 30094 1 954 . 1 1 122 122 ALA HB1 H 1 1.230 0.020 . 1 . . . A 122 ALA HB1 . 30094 1 955 . 1 1 122 122 ALA HB2 H 1 1.230 0.020 . 1 . . . A 122 ALA HB2 . 30094 1 956 . 1 1 122 122 ALA HB3 H 1 1.230 0.020 . 1 . . . A 122 ALA HB3 . 30094 1 957 . 1 1 122 122 ALA C C 13 177.048 0.300 . 1 . . . A 122 ALA C . 30094 1 958 . 1 1 122 122 ALA CA C 13 52.605 0.300 . 1 . . . A 122 ALA CA . 30094 1 959 . 1 1 122 122 ALA CB C 13 19.971 0.300 . 1 . . . A 122 ALA CB . 30094 1 960 . 1 1 122 122 ALA N N 15 125.340 0.300 . 1 . . . A 122 ALA N . 30094 1 961 . 1 1 123 123 ALA H H 1 8.337 0.020 . 1 . . . A 123 ALA H . 30094 1 962 . 1 1 123 123 ALA HA H 1 4.414 0.020 . 1 . . . A 123 ALA HA . 30094 1 963 . 1 1 123 123 ALA HB1 H 1 1.136 0.020 . 1 . . . A 123 ALA HB1 . 30094 1 964 . 1 1 123 123 ALA HB2 H 1 1.136 0.020 . 1 . . . A 123 ALA HB2 . 30094 1 965 . 1 1 123 123 ALA HB3 H 1 1.136 0.020 . 1 . . . A 123 ALA HB3 . 30094 1 966 . 1 1 123 123 ALA C C 13 175.135 0.300 . 1 . . . A 123 ALA C . 30094 1 967 . 1 1 123 123 ALA CA C 13 51.452 0.300 . 1 . . . A 123 ALA CA . 30094 1 968 . 1 1 123 123 ALA CB C 13 16.515 0.300 . 1 . . . A 123 ALA CB . 30094 1 969 . 1 1 123 123 ALA N N 15 125.575 0.300 . 1 . . . A 123 ALA N . 30094 1 970 . 1 1 124 124 ILE H H 1 7.750 0.020 . 1 . . . A 124 ILE H . 30094 1 971 . 1 1 124 124 ILE HA H 1 3.477 0.020 . 1 . . . A 124 ILE HA . 30094 1 972 . 1 1 124 124 ILE HB H 1 0.555 0.020 . 1 . . . A 124 ILE HB . 30094 1 973 . 1 1 124 124 ILE HG12 H 1 0.288 0.020 . 2 . . . A 124 ILE HG12 . 30094 1 974 . 1 1 124 124 ILE HG13 H 1 -0.404 0.020 . 2 . . . A 124 ILE HG13 . 30094 1 975 . 1 1 124 124 ILE HG21 H 1 -0.031 0.020 . 1 . . . A 124 ILE HG21 . 30094 1 976 . 1 1 124 124 ILE HG22 H 1 -0.031 0.020 . 1 . . . A 124 ILE HG22 . 30094 1 977 . 1 1 124 124 ILE HG23 H 1 -0.031 0.020 . 1 . . . A 124 ILE HG23 . 30094 1 978 . 1 1 124 124 ILE HD11 H 1 -0.293 0.020 . 1 . . . A 124 ILE HD11 . 30094 1 979 . 1 1 124 124 ILE HD12 H 1 -0.293 0.020 . 1 . . . A 124 ILE HD12 . 30094 1 980 . 1 1 124 124 ILE HD13 H 1 -0.293 0.020 . 1 . . . A 124 ILE HD13 . 30094 1 981 . 1 1 124 124 ILE C C 13 176.324 0.300 . 1 . . . A 124 ILE C . 30094 1 982 . 1 1 124 124 ILE CA C 13 57.246 0.300 . 1 . . . A 124 ILE CA . 30094 1 983 . 1 1 124 124 ILE CB C 13 36.333 0.300 . 1 . . . A 124 ILE CB . 30094 1 984 . 1 1 124 124 ILE CG1 C 13 23.990 0.300 . 1 . . . A 124 ILE CG1 . 30094 1 985 . 1 1 124 124 ILE CG2 C 13 16.503 0.300 . 1 . . . A 124 ILE CG2 . 30094 1 986 . 1 1 124 124 ILE CD1 C 13 7.754 0.300 . 1 . . . A 124 ILE CD1 . 30094 1 987 . 1 1 124 124 ILE N N 15 128.584 0.300 . 1 . . . A 124 ILE N . 30094 1 988 . 1 1 125 125 VAL H H 1 8.094 0.020 . 1 . . . A 125 VAL H . 30094 1 989 . 1 1 125 125 VAL HA H 1 4.970 0.020 . 1 . . . A 125 VAL HA . 30094 1 990 . 1 1 125 125 VAL HB H 1 1.934 0.020 . 1 . . . A 125 VAL HB . 30094 1 991 . 1 1 125 125 VAL HG11 H 1 0.347 0.020 . 2 . . . A 125 VAL HG11 . 30094 1 992 . 1 1 125 125 VAL HG12 H 1 0.347 0.020 . 2 . . . A 125 VAL HG12 . 30094 1 993 . 1 1 125 125 VAL HG13 H 1 0.347 0.020 . 2 . . . A 125 VAL HG13 . 30094 1 994 . 1 1 125 125 VAL HG21 H 1 0.434 0.020 . 2 . . . A 125 VAL HG21 . 30094 1 995 . 1 1 125 125 VAL HG22 H 1 0.434 0.020 . 2 . . . A 125 VAL HG22 . 30094 1 996 . 1 1 125 125 VAL HG23 H 1 0.434 0.020 . 2 . . . A 125 VAL HG23 . 30094 1 997 . 1 1 125 125 VAL C C 13 174.119 0.300 . 1 . . . A 125 VAL C . 30094 1 998 . 1 1 125 125 VAL CA C 13 58.623 0.300 . 1 . . . A 125 VAL CA . 30094 1 999 . 1 1 125 125 VAL CB C 13 35.108 0.300 . 1 . . . A 125 VAL CB . 30094 1 1000 . 1 1 125 125 VAL CG2 C 13 20.680 0.300 . 2 . . . A 125 VAL CG2 . 30094 1 1001 . 1 1 125 125 VAL N N 15 118.490 0.300 . 1 . . . A 125 VAL N . 30094 1 1002 . 1 1 126 126 SER H H 1 8.618 0.020 . 1 . . . A 126 SER H . 30094 1 1003 . 1 1 126 126 SER HA H 1 4.705 0.020 . 1 . . . A 126 SER HA . 30094 1 1004 . 1 1 126 126 SER HB2 H 1 3.634 0.020 . 2 . . . A 126 SER HB2 . 30094 1 1005 . 1 1 126 126 SER HB3 H 1 3.634 0.020 . 2 . . . A 126 SER HB3 . 30094 1 1006 . 1 1 126 126 SER C C 13 174.450 0.000 . 1 . . . A 126 SER C . 30094 1 1007 . 1 1 126 126 SER CA C 13 54.757 0.300 . 1 . . . A 126 SER CA . 30094 1 1008 . 1 1 126 126 SER CB C 13 63.360 0.300 . 1 . . . A 126 SER CB . 30094 1 1009 . 1 1 126 126 SER N N 15 113.054 0.300 . 1 . . . A 126 SER N . 30094 1 1010 . 1 1 127 127 SER H H 1 8.045 0.020 . 1 . . . A 127 SER H . 30094 1 1011 . 1 1 127 127 SER HA H 1 3.939 0.020 . 1 . . . A 127 SER HA . 30094 1 1012 . 1 1 127 127 SER HB2 H 1 3.953 0.020 . 2 . . . A 127 SER HB2 . 30094 1 1013 . 1 1 127 127 SER HB3 H 1 3.953 0.020 . 2 . . . A 127 SER HB3 . 30094 1 1014 . 1 1 127 127 SER C C 13 176.764 0.000 . 1 . . . A 127 SER C . 30094 1 1015 . 1 1 127 127 SER CA C 13 59.624 0.300 . 1 . . . A 127 SER CA . 30094 1 1016 . 1 1 127 127 SER CB C 13 61.944 0.300 . 1 . . . A 127 SER CB . 30094 1 1017 . 1 1 127 127 SER N N 15 119.049 0.300 . 1 . . . A 127 SER N . 30094 1 stop_ save_