data_31251 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31251 _Entry.Title ; Honey Truffle Active Component ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-06-20 _Entry.Accession_date 2025-06-20 _Entry.Last_release_date 2025-07-25 _Entry.Original_release_date 2025-07-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 C. McFarland C. T. . . 31251 2 D. Connors D. E. . . 31251 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 31251 'Sweet Protein' . 31251 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31251 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 503 31251 '15N chemical shifts' 120 31251 '1H chemical shifts' 838 31251 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-04-20 . original BMRB . 31251 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9P6W 'BMRB Entry Tracking System' 31251 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31251 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.1021/acs.jafc.4c04368 _Citation.Full_citation . _Citation.Title ; Discovery, Expression, and In Silico Safety Evaluation of Honey Truffle Sweetener, a Sweet Protein Derived from Mattirolomyces terfezioides and Produced by Heterologous Expression in Komagataella phaffii ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Agric. Food Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 72 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 0021-8561 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 19470 _Citation.Page_last 19479 _Citation.Year 2024 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. McFarland C. T. . . 31251 1 2 B. Alkotaini B. . . . 31251 1 3 C. Cowen C. P. . . 31251 1 4 M. Edwards M. G. . . 31251 1 5 E. Grein E. M. . . 31251 1 6 A. Hahn A. D. . . 31251 1 7 J. Jennings J. C. . . 31251 1 8 R. Patnaik R. . . . 31251 1 9 S. Potter S. M. . . 31251 1 10 L. Rael L. T. . . 31251 1 11 B. Sharkey B. P. . . 31251 1 12 S. Taylor S. L. . . 31251 1 13 R. Totman R. J. . . 31251 1 14 K. 'Van Simaeys' K. . . . 31251 1 15 P. Vo P. . . . 31251 1 16 D. Zhao D. . . . 31251 1 17 D. Connors D. E. . . 31251 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31251 _Assembly.ID 1 _Assembly.Name 'Honey Truffle Active Component' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 31251 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31251 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MPDLSSFITIKNNSNHVFTR TAIYSKYAAVQWSPEPQLSI SPGKWDLFILKDILSIRGTS GYVQYRVGDGPGWVRVTFSS LVGADEVAEWSSGDLPDGFV LQKPVRTGSRPLQATFEATK Q ; _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 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13394.060 _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 . MET . 31251 1 2 . PRO . 31251 1 3 . ASP . 31251 1 4 . LEU . 31251 1 5 . SER . 31251 1 6 . SER . 31251 1 7 . PHE . 31251 1 8 . ILE . 31251 1 9 . THR . 31251 1 10 . ILE . 31251 1 11 . LYS . 31251 1 12 . ASN . 31251 1 13 . ASN . 31251 1 14 . SER . 31251 1 15 . ASN . 31251 1 16 . HIS . 31251 1 17 . VAL . 31251 1 18 . PHE . 31251 1 19 . THR . 31251 1 20 . ARG . 31251 1 21 . THR . 31251 1 22 . ALA . 31251 1 23 . ILE . 31251 1 24 . TYR . 31251 1 25 . SER . 31251 1 26 . LYS . 31251 1 27 . TYR . 31251 1 28 . ALA . 31251 1 29 . ALA . 31251 1 30 . VAL . 31251 1 31 . GLN . 31251 1 32 . TRP . 31251 1 33 . SER . 31251 1 34 . PRO . 31251 1 35 . GLU . 31251 1 36 . PRO . 31251 1 37 . GLN . 31251 1 38 . LEU . 31251 1 39 . SER . 31251 1 40 . ILE . 31251 1 41 . SER . 31251 1 42 . PRO . 31251 1 43 . GLY . 31251 1 44 . LYS . 31251 1 45 . TRP . 31251 1 46 . ASP . 31251 1 47 . LEU . 31251 1 48 . PHE . 31251 1 49 . ILE . 31251 1 50 . LEU . 31251 1 51 . LYS . 31251 1 52 . ASP . 31251 1 53 . ILE . 31251 1 54 . LEU . 31251 1 55 . SER . 31251 1 56 . ILE . 31251 1 57 . ARG . 31251 1 58 . GLY . 31251 1 59 . THR . 31251 1 60 . SER . 31251 1 61 . GLY . 31251 1 62 . TYR . 31251 1 63 . VAL . 31251 1 64 . GLN . 31251 1 65 . TYR . 31251 1 66 . ARG . 31251 1 67 . VAL . 31251 1 68 . GLY . 31251 1 69 . ASP . 31251 1 70 . GLY . 31251 1 71 . PRO . 31251 1 72 . GLY . 31251 1 73 . TRP . 31251 1 74 . VAL . 31251 1 75 . ARG . 31251 1 76 . VAL . 31251 1 77 . THR . 31251 1 78 . PHE . 31251 1 79 . SER . 31251 1 80 . SER . 31251 1 81 . LEU . 31251 1 82 . VAL . 31251 1 83 . GLY . 31251 1 84 . ALA . 31251 1 85 . ASP . 31251 1 86 . GLU . 31251 1 87 . VAL . 31251 1 88 . ALA . 31251 1 89 . GLU . 31251 1 90 . TRP . 31251 1 91 . SER . 31251 1 92 . SER . 31251 1 93 . GLY . 31251 1 94 . ASP . 31251 1 95 . LEU . 31251 1 96 . PRO . 31251 1 97 . ASP . 31251 1 98 . GLY . 31251 1 99 . PHE . 31251 1 100 . VAL . 31251 1 101 . LEU . 31251 1 102 . GLN . 31251 1 103 . LYS . 31251 1 104 . PRO . 31251 1 105 . VAL . 31251 1 106 . ARG . 31251 1 107 . THR . 31251 1 108 . GLY . 31251 1 109 . SER . 31251 1 110 . ARG . 31251 1 111 . PRO . 31251 1 112 . LEU . 31251 1 113 . GLN . 31251 1 114 . ALA . 31251 1 115 . THR . 31251 1 116 . PHE . 31251 1 117 . GLU . 31251 1 118 . ALA . 31251 1 119 . THR . 31251 1 120 . LYS . 31251 1 121 . GLN . 31251 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 31251 1 . PRO 2 2 31251 1 . ASP 3 3 31251 1 . LEU 4 4 31251 1 . SER 5 5 31251 1 . SER 6 6 31251 1 . PHE 7 7 31251 1 . ILE 8 8 31251 1 . THR 9 9 31251 1 . ILE 10 10 31251 1 . LYS 11 11 31251 1 . ASN 12 12 31251 1 . ASN 13 13 31251 1 . SER 14 14 31251 1 . ASN 15 15 31251 1 . HIS 16 16 31251 1 . VAL 17 17 31251 1 . PHE 18 18 31251 1 . THR 19 19 31251 1 . ARG 20 20 31251 1 . THR 21 21 31251 1 . ALA 22 22 31251 1 . ILE 23 23 31251 1 . TYR 24 24 31251 1 . SER 25 25 31251 1 . LYS 26 26 31251 1 . TYR 27 27 31251 1 . ALA 28 28 31251 1 . ALA 29 29 31251 1 . VAL 30 30 31251 1 . GLN 31 31 31251 1 . TRP 32 32 31251 1 . SER 33 33 31251 1 . PRO 34 34 31251 1 . GLU 35 35 31251 1 . PRO 36 36 31251 1 . GLN 37 37 31251 1 . LEU 38 38 31251 1 . SER 39 39 31251 1 . ILE 40 40 31251 1 . SER 41 41 31251 1 . PRO 42 42 31251 1 . GLY 43 43 31251 1 . LYS 44 44 31251 1 . TRP 45 45 31251 1 . ASP 46 46 31251 1 . LEU 47 47 31251 1 . PHE 48 48 31251 1 . ILE 49 49 31251 1 . LEU 50 50 31251 1 . LYS 51 51 31251 1 . ASP 52 52 31251 1 . ILE 53 53 31251 1 . LEU 54 54 31251 1 . SER 55 55 31251 1 . ILE 56 56 31251 1 . ARG 57 57 31251 1 . GLY 58 58 31251 1 . THR 59 59 31251 1 . SER 60 60 31251 1 . GLY 61 61 31251 1 . TYR 62 62 31251 1 . VAL 63 63 31251 1 . GLN 64 64 31251 1 . TYR 65 65 31251 1 . ARG 66 66 31251 1 . VAL 67 67 31251 1 . GLY 68 68 31251 1 . ASP 69 69 31251 1 . GLY 70 70 31251 1 . PRO 71 71 31251 1 . GLY 72 72 31251 1 . TRP 73 73 31251 1 . VAL 74 74 31251 1 . ARG 75 75 31251 1 . VAL 76 76 31251 1 . THR 77 77 31251 1 . PHE 78 78 31251 1 . SER 79 79 31251 1 . SER 80 80 31251 1 . LEU 81 81 31251 1 . VAL 82 82 31251 1 . GLY 83 83 31251 1 . ALA 84 84 31251 1 . ASP 85 85 31251 1 . GLU 86 86 31251 1 . VAL 87 87 31251 1 . ALA 88 88 31251 1 . GLU 89 89 31251 1 . TRP 90 90 31251 1 . SER 91 91 31251 1 . SER 92 92 31251 1 . GLY 93 93 31251 1 . ASP 94 94 31251 1 . LEU 95 95 31251 1 . PRO 96 96 31251 1 . ASP 97 97 31251 1 . GLY 98 98 31251 1 . PHE 99 99 31251 1 . VAL 100 100 31251 1 . LEU 101 101 31251 1 . GLN 102 102 31251 1 . LYS 103 103 31251 1 . PRO 104 104 31251 1 . VAL 105 105 31251 1 . ARG 106 106 31251 1 . THR 107 107 31251 1 . GLY 108 108 31251 1 . SER 109 109 31251 1 . ARG 110 110 31251 1 . PRO 111 111 31251 1 . LEU 112 112 31251 1 . GLN 113 113 31251 1 . ALA 114 114 31251 1 . THR 115 115 31251 1 . PHE 116 116 31251 1 . GLU 117 117 31251 1 . ALA 118 118 31251 1 . THR 119 119 31251 1 . LYS 120 120 31251 1 . GLN 121 121 31251 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 31251 _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 . 74857 organism . 'Mattirolomyces terfezioides' 'Mattirolomyces terfezioides' . . Eukaryota Fungi Mattirolomyces terfezioides . . . . . . . . . . . . . 31251 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 31251 _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' 'Komagataella phaffii CBS 7435' . . 981350 . . . . . . . . . . . . 31251 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31251 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.39 mg/mL [U-13C] HT-AC, 500 mM sodium phosphate monobasic, 500 mM sodium phosphate dibasic, Phosphate Buffer' _Sample.Aggregate_sample_number . _Sample.Solvent_system 'Phosphate Buffer' _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 HT-AC [U-13C] . . 1 $entity_1 . . 0.39 . . mg/mL . . . . 31251 1 2 'sodium phosphate monobasic' 'natural abundance' . . . . . . 500 . . mM . . . . 31251 1 3 'sodium phosphate dibasic' 'natural abundance' . . . . . . 500 . . mM . . . . 31251 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 31251 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 2.091 . M 31251 1 pH 7 . pH 31251 1 pressure 550 . Torr 31251 1 temperature 298 . K 31251 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31251 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 31251 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31251 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31251 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 31251 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 31251 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31251 _Software.ID 3 _Software.Type . _Software.Name AutoAssign _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 31251 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31251 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 31251 _Software.ID 4 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 31251 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 31251 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 31251 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 31251 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III HD' . 800 . . . 31251 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 31251 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31251 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31251 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31251 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31251 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31251 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31251 1 7 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31251 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31251 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31251 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 31251 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 31251 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 31251 1 N 15 DSS nitrogen . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 31251 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 31251 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 31251 1 2 '2D 1H-1H TOCSY' . . . 31251 1 3 '3D HCCH-TOCSY' . . . 31251 1 4 '2D 1H-13C HSQC' . . . 31251 1 5 '3D 1H-15N NOESY' . . . 31251 1 6 '3D HNCACB' . . . 31251 1 7 '3D HNCO' . . . 31251 1 8 '3D CBCA(CO)NH' . . . 31251 1 9 '2D 1H-15N HSQC' . . . 31251 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO HA H 1 4.303 0.020 . 1 . . . . A 2 PRO HA . 31251 1 2 . 1 . 1 2 2 PRO HB2 H 1 1.782 0.020 . 2 . . . . A 2 PRO HB2 . 31251 1 3 . 1 . 1 2 2 PRO HB3 H 1 2.346 0.020 . 2 . . . . A 2 PRO HB3 . 31251 1 4 . 1 . 1 2 2 PRO HG2 H 1 1.860 0.020 . 2 . . . . A 2 PRO HG2 . 31251 1 5 . 1 . 1 2 2 PRO HG3 H 1 2.022 0.020 . 2 . . . . A 2 PRO HG3 . 31251 1 6 . 1 . 1 2 2 PRO HD2 H 1 3.326 0.020 . 2 . . . . A 2 PRO HD2 . 31251 1 7 . 1 . 1 2 2 PRO HD3 H 1 3.373 0.020 . 2 . . . . A 2 PRO HD3 . 31251 1 8 . 1 . 1 2 2 PRO CA C 13 61.904 0.400 . 1 . . . . A 2 PRO CA . 31251 1 9 . 1 . 1 2 2 PRO CB C 13 32.546 0.400 . 1 . . . . A 2 PRO CB . 31251 1 10 . 1 . 1 2 2 PRO CG C 13 26.174 0.400 . 1 . . . . A 2 PRO CG . 31251 1 11 . 1 . 1 2 2 PRO CD C 13 49.202 0.400 . 1 . . . . A 2 PRO CD . 31251 1 12 . 1 . 1 3 3 ASP HA H 1 4.607 0.020 . 1 . . . . A 3 ASP HA . 31251 1 13 . 1 . 1 3 3 ASP HB2 H 1 2.505 0.020 . 2 . . . . A 3 ASP HB2 . 31251 1 14 . 1 . 1 3 3 ASP HB3 H 1 2.742 0.020 . 2 . . . . A 3 ASP HB3 . 31251 1 15 . 1 . 1 3 3 ASP C C 13 174.817 0.400 . 1 . . . . A 3 ASP C . 31251 1 16 . 1 . 1 3 3 ASP CA C 13 53.938 0.400 . 1 . . . . A 3 ASP CA . 31251 1 17 . 1 . 1 3 3 ASP CB C 13 41.581 0.400 . 1 . . . . A 3 ASP CB . 31251 1 18 . 1 . 1 4 4 LEU H H 1 8.433 0.020 . 1 . . . . A 4 LEU H . 31251 1 19 . 1 . 1 4 4 LEU HA H 1 4.687 0.020 . 1 . . . . A 4 LEU HA . 31251 1 20 . 1 . 1 4 4 LEU HB2 H 1 1.493 0.020 . 2 . . . . A 4 LEU HB2 . 31251 1 21 . 1 . 1 4 4 LEU HB3 H 1 2.548 0.020 . 2 . . . . A 4 LEU HB3 . 31251 1 22 . 1 . 1 4 4 LEU HG H 1 1.463 0.020 . 1 . . . . A 4 LEU HG . 31251 1 23 . 1 . 1 4 4 LEU HD11 H 1 0.690 0.020 . 2 . . . . A 4 LEU HD11 . 31251 1 24 . 1 . 1 4 4 LEU HD12 H 1 0.690 0.020 . 2 . . . . A 4 LEU HD12 . 31251 1 25 . 1 . 1 4 4 LEU HD13 H 1 0.690 0.020 . 2 . . . . A 4 LEU HD13 . 31251 1 26 . 1 . 1 4 4 LEU HD21 H 1 0.696 0.020 . 2 . . . . A 4 LEU HD21 . 31251 1 27 . 1 . 1 4 4 LEU HD22 H 1 0.696 0.020 . 2 . . . . A 4 LEU HD22 . 31251 1 28 . 1 . 1 4 4 LEU HD23 H 1 0.696 0.020 . 2 . . . . A 4 LEU HD23 . 31251 1 29 . 1 . 1 4 4 LEU C C 13 176.770 0.400 . 1 . . . . A 4 LEU C . 31251 1 30 . 1 . 1 4 4 LEU CA C 13 53.514 0.400 . 1 . . . . A 4 LEU CA . 31251 1 31 . 1 . 1 4 4 LEU CB C 13 40.628 0.400 . 1 . . . . A 4 LEU CB . 31251 1 32 . 1 . 1 4 4 LEU CG C 13 27.507 0.400 . 1 . . . . A 4 LEU CG . 31251 1 33 . 1 . 1 4 4 LEU CD1 C 13 23.685 0.400 . 2 . . . . A 4 LEU CD1 . 31251 1 34 . 1 . 1 4 4 LEU CD2 C 13 25.440 0.400 . 2 . . . . A 4 LEU CD2 . 31251 1 35 . 1 . 1 4 4 LEU N N 15 125.774 0.400 . 1 . . . . A 4 LEU N . 31251 1 36 . 1 . 1 5 5 SER H H 1 7.624 0.020 . 1 . . . . A 5 SER H . 31251 1 37 . 1 . 1 5 5 SER HA H 1 4.682 0.020 . 1 . . . . A 5 SER HA . 31251 1 38 . 1 . 1 5 5 SER HB2 H 1 3.686 0.020 . 2 . . . . A 5 SER HB2 . 31251 1 39 . 1 . 1 5 5 SER HB3 H 1 3.685 0.020 . 2 . . . . A 5 SER HB3 . 31251 1 40 . 1 . 1 5 5 SER C C 13 171.206 0.400 . 1 . . . . A 5 SER C . 31251 1 41 . 1 . 1 5 5 SER CA C 13 59.395 0.400 . 1 . . . . A 5 SER CA . 31251 1 42 . 1 . 1 5 5 SER CB C 13 64.085 0.400 . 1 . . . . A 5 SER CB . 31251 1 43 . 1 . 1 5 5 SER N N 15 114.390 0.400 . 1 . . . . A 5 SER N . 31251 1 44 . 1 . 1 6 6 SER H H 1 8.138 0.020 . 1 . . . . A 6 SER H . 31251 1 45 . 1 . 1 6 6 SER HA H 1 5.126 0.020 . 1 . . . . A 6 SER HA . 31251 1 46 . 1 . 1 6 6 SER HB2 H 1 3.298 0.020 . 2 . . . . A 6 SER HB2 . 31251 1 47 . 1 . 1 6 6 SER HB3 H 1 3.611 0.020 . 2 . . . . A 6 SER HB3 . 31251 1 48 . 1 . 1 6 6 SER C C 13 172.677 0.400 . 1 . . . . A 6 SER C . 31251 1 49 . 1 . 1 6 6 SER CA C 13 58.856 0.400 . 1 . . . . A 6 SER CA . 31251 1 50 . 1 . 1 6 6 SER CB C 13 66.756 0.400 . 1 . . . . A 6 SER CB . 31251 1 51 . 1 . 1 6 6 SER N N 15 114.757 0.400 . 1 . . . . A 6 SER N . 31251 1 52 . 1 . 1 7 7 PHE H H 1 9.459 0.020 . 1 . . . . A 7 PHE H . 31251 1 53 . 1 . 1 7 7 PHE HA H 1 4.693 0.020 . 1 . . . . A 7 PHE HA . 31251 1 54 . 1 . 1 7 7 PHE HB2 H 1 2.605 0.020 . 2 . . . . A 7 PHE HB2 . 31251 1 55 . 1 . 1 7 7 PHE HB3 H 1 3.428 0.020 . 2 . . . . A 7 PHE HB3 . 31251 1 56 . 1 . 1 7 7 PHE HD1 H 1 7.006 0.020 . 1 . . . . A 7 PHE HD1 . 31251 1 57 . 1 . 1 7 7 PHE HD2 H 1 7.006 0.020 . 1 . . . . A 7 PHE HD2 . 31251 1 58 . 1 . 1 7 7 PHE HE1 H 1 7.177 0.020 . 1 . . . . A 7 PHE HE1 . 31251 1 59 . 1 . 1 7 7 PHE HE2 H 1 7.177 0.020 . 1 . . . . A 7 PHE HE2 . 31251 1 60 . 1 . 1 7 7 PHE HZ H 1 6.986 0.020 . 1 . . . . A 7 PHE HZ . 31251 1 61 . 1 . 1 7 7 PHE C C 13 175.360 0.400 . 1 . . . . A 7 PHE C . 31251 1 62 . 1 . 1 7 7 PHE CA C 13 55.197 0.400 . 1 . . . . A 7 PHE CA . 31251 1 63 . 1 . 1 7 7 PHE CB C 13 39.319 0.400 . 1 . . . . A 7 PHE CB . 31251 1 64 . 1 . 1 7 7 PHE CD1 C 13 131.284 0.400 . 3 . . . . A 7 PHE CD1 . 31251 1 65 . 1 . 1 7 7 PHE CE1 C 13 131.249 0.400 . 3 . . . . A 7 PHE CE1 . 31251 1 66 . 1 . 1 7 7 PHE CZ C 13 129.048 0.400 . 1 . . . . A 7 PHE CZ . 31251 1 67 . 1 . 1 7 7 PHE N N 15 124.127 0.400 . 1 . . . . A 7 PHE N . 31251 1 68 . 1 . 1 8 8 ILE H H 1 8.783 0.020 . 1 . . . . A 8 ILE H . 31251 1 69 . 1 . 1 8 8 ILE HA H 1 4.565 0.020 . 1 . . . . A 8 ILE HA . 31251 1 70 . 1 . 1 8 8 ILE HB H 1 0.580 0.020 . 1 . . . . A 8 ILE HB . 31251 1 71 . 1 . 1 8 8 ILE HG12 H 1 0.535 0.020 . 2 . . . . A 8 ILE HG12 . 31251 1 72 . 1 . 1 8 8 ILE HG13 H 1 -0.421 0.020 . 2 . . . . A 8 ILE HG13 . 31251 1 73 . 1 . 1 8 8 ILE HG21 H 1 0.341 0.020 . 1 . . . . A 8 ILE HG21 . 31251 1 74 . 1 . 1 8 8 ILE HG22 H 1 0.341 0.020 . 1 . . . . A 8 ILE HG22 . 31251 1 75 . 1 . 1 8 8 ILE HG23 H 1 0.341 0.020 . 1 . . . . A 8 ILE HG23 . 31251 1 76 . 1 . 1 8 8 ILE HD11 H 1 0.320 0.020 . 1 . . . . A 8 ILE HD11 . 31251 1 77 . 1 . 1 8 8 ILE HD12 H 1 0.320 0.020 . 1 . . . . A 8 ILE HD12 . 31251 1 78 . 1 . 1 8 8 ILE HD13 H 1 0.320 0.020 . 1 . . . . A 8 ILE HD13 . 31251 1 79 . 1 . 1 8 8 ILE C C 13 173.699 0.400 . 1 . . . . A 8 ILE C . 31251 1 80 . 1 . 1 8 8 ILE CA C 13 57.213 0.400 . 1 . . . . A 8 ILE CA . 31251 1 81 . 1 . 1 8 8 ILE CB C 13 35.548 0.400 . 1 . . . . A 8 ILE CB . 31251 1 82 . 1 . 1 8 8 ILE CG1 C 13 24.121 0.400 . 1 . . . . A 8 ILE CG1 . 31251 1 83 . 1 . 1 8 8 ILE CG2 C 13 18.235 0.400 . 1 . . . . A 8 ILE CG2 . 31251 1 84 . 1 . 1 8 8 ILE CD1 C 13 9.419 0.400 . 1 . . . . A 8 ILE CD1 . 31251 1 85 . 1 . 1 8 8 ILE N N 15 128.705 0.400 . 1 . . . . A 8 ILE N . 31251 1 86 . 1 . 1 9 9 THR H H 1 8.785 0.020 . 1 . . . . A 9 THR H . 31251 1 87 . 1 . 1 9 9 THR HA H 1 5.311 0.020 . 1 . . . . A 9 THR HA . 31251 1 88 . 1 . 1 9 9 THR HB H 1 4.150 0.020 . 1 . . . . A 9 THR HB . 31251 1 89 . 1 . 1 9 9 THR HG21 H 1 1.055 0.020 . 1 . . . . A 9 THR HG21 . 31251 1 90 . 1 . 1 9 9 THR HG22 H 1 1.055 0.020 . 1 . . . . A 9 THR HG22 . 31251 1 91 . 1 . 1 9 9 THR HG23 H 1 1.055 0.020 . 1 . . . . A 9 THR HG23 . 31251 1 92 . 1 . 1 9 9 THR C C 13 174.749 0.400 . 1 . . . . A 9 THR C . 31251 1 93 . 1 . 1 9 9 THR CA C 13 61.401 0.400 . 1 . . . . A 9 THR CA . 31251 1 94 . 1 . 1 9 9 THR CB C 13 69.622 0.400 . 1 . . . . A 9 THR CB . 31251 1 95 . 1 . 1 9 9 THR CG2 C 13 20.601 0.400 . 1 . . . . A 9 THR CG2 . 31251 1 96 . 1 . 1 9 9 THR N N 15 122.379 0.400 . 1 . . . . A 9 THR N . 31251 1 97 . 1 . 1 10 10 ILE H H 1 9.376 0.020 . 1 . . . . A 10 ILE H . 31251 1 98 . 1 . 1 10 10 ILE HA H 1 5.223 0.020 . 1 . . . . A 10 ILE HA . 31251 1 99 . 1 . 1 10 10 ILE HB H 1 1.854 0.020 . 1 . . . . A 10 ILE HB . 31251 1 100 . 1 . 1 10 10 ILE HG12 H 1 1.781 0.020 . 2 . . . . A 10 ILE HG12 . 31251 1 101 . 1 . 1 10 10 ILE HG13 H 1 1.224 0.020 . 2 . . . . A 10 ILE HG13 . 31251 1 102 . 1 . 1 10 10 ILE HG21 H 1 0.766 0.020 . 1 . . . . A 10 ILE HG21 . 31251 1 103 . 1 . 1 10 10 ILE HG22 H 1 0.766 0.020 . 1 . . . . A 10 ILE HG22 . 31251 1 104 . 1 . 1 10 10 ILE HG23 H 1 0.766 0.020 . 1 . . . . A 10 ILE HG23 . 31251 1 105 . 1 . 1 10 10 ILE HD11 H 1 0.998 0.020 . 1 . . . . A 10 ILE HD11 . 31251 1 106 . 1 . 1 10 10 ILE HD12 H 1 0.998 0.020 . 1 . . . . A 10 ILE HD12 . 31251 1 107 . 1 . 1 10 10 ILE HD13 H 1 0.998 0.020 . 1 . . . . A 10 ILE HD13 . 31251 1 108 . 1 . 1 10 10 ILE C C 13 176.110 0.400 . 1 . . . . A 10 ILE C . 31251 1 109 . 1 . 1 10 10 ILE CA C 13 58.511 0.400 . 1 . . . . A 10 ILE CA . 31251 1 110 . 1 . 1 10 10 ILE CB C 13 39.485 0.400 . 1 . . . . A 10 ILE CB . 31251 1 111 . 1 . 1 10 10 ILE CG1 C 13 26.808 0.400 . 1 . . . . A 10 ILE CG1 . 31251 1 112 . 1 . 1 10 10 ILE CG2 C 13 16.787 0.400 . 1 . . . . A 10 ILE CG2 . 31251 1 113 . 1 . 1 10 10 ILE CD1 C 13 13.879 0.400 . 1 . . . . A 10 ILE CD1 . 31251 1 114 . 1 . 1 10 10 ILE N N 15 127.051 0.400 . 1 . . . . A 10 ILE N . 31251 1 115 . 1 . 1 11 11 LYS H H 1 9.159 0.020 . 1 . . . . A 11 LYS H . 31251 1 116 . 1 . 1 11 11 LYS HA H 1 4.639 0.020 . 1 . . . . A 11 LYS HA . 31251 1 117 . 1 . 1 11 11 LYS HB2 H 1 1.530 0.020 . 2 . . . . A 11 LYS HB2 . 31251 1 118 . 1 . 1 11 11 LYS HB3 H 1 1.729 0.020 . 2 . . . . A 11 LYS HB3 . 31251 1 119 . 1 . 1 11 11 LYS HG2 H 1 0.935 0.020 . 2 . . . . A 11 LYS HG2 . 31251 1 120 . 1 . 1 11 11 LYS HG3 H 1 1.123 0.020 . 2 . . . . A 11 LYS HG3 . 31251 1 121 . 1 . 1 11 11 LYS HD2 H 1 1.316 0.020 . 2 . . . . A 11 LYS HD2 . 31251 1 122 . 1 . 1 11 11 LYS HD3 H 1 1.311 0.020 . 2 . . . . A 11 LYS HD3 . 31251 1 123 . 1 . 1 11 11 LYS HE2 H 1 2.294 0.020 . 2 . . . . A 11 LYS HE2 . 31251 1 124 . 1 . 1 11 11 LYS HE3 H 1 2.497 0.020 . 2 . . . . A 11 LYS HE3 . 31251 1 125 . 1 . 1 11 11 LYS C C 13 174.982 0.400 . 1 . . . . A 11 LYS C . 31251 1 126 . 1 . 1 11 11 LYS CA C 13 55.215 0.400 . 1 . . . . A 11 LYS CA . 31251 1 127 . 1 . 1 11 11 LYS CB C 13 33.924 0.400 . 1 . . . . A 11 LYS CB . 31251 1 128 . 1 . 1 11 11 LYS CG C 13 24.583 0.400 . 1 . . . . A 11 LYS CG . 31251 1 129 . 1 . 1 11 11 LYS CD C 13 29.522 0.400 . 1 . . . . A 11 LYS CD . 31251 1 130 . 1 . 1 11 11 LYS CE C 13 41.294 0.400 . 1 . . . . A 11 LYS CE . 31251 1 131 . 1 . 1 11 11 LYS N N 15 125.202 0.400 . 1 . . . . A 11 LYS N . 31251 1 132 . 1 . 1 12 12 ASN H H 1 8.245 0.020 . 1 . . . . A 12 ASN H . 31251 1 133 . 1 . 1 12 12 ASN HA H 1 4.846 0.020 . 1 . . . . A 12 ASN HA . 31251 1 134 . 1 . 1 12 12 ASN HB2 H 1 1.408 0.020 . 2 . . . . A 12 ASN HB2 . 31251 1 135 . 1 . 1 12 12 ASN HB3 H 1 3.179 0.020 . 2 . . . . A 12 ASN HB3 . 31251 1 136 . 1 . 1 12 12 ASN HD21 H 1 5.938 0.020 . 2 . . . . A 12 ASN HD21 . 31251 1 137 . 1 . 1 12 12 ASN HD22 H 1 8.416 0.020 . 2 . . . . A 12 ASN HD22 . 31251 1 138 . 1 . 1 12 12 ASN C C 13 174.151 0.400 . 1 . . . . A 12 ASN C . 31251 1 139 . 1 . 1 12 12 ASN CA C 13 50.832 0.400 . 1 . . . . A 12 ASN CA . 31251 1 140 . 1 . 1 12 12 ASN CB C 13 37.041 0.400 . 1 . . . . A 12 ASN CB . 31251 1 141 . 1 . 1 12 12 ASN N N 15 120.372 0.400 . 1 . . . . A 12 ASN N . 31251 1 142 . 1 . 1 12 12 ASN ND2 N 15 110.933 0.400 . 1 . . . . A 12 ASN ND2 . 31251 1 143 . 1 . 1 13 13 ASN H H 1 8.504 0.020 . 1 . . . . A 13 ASN H . 31251 1 144 . 1 . 1 13 13 ASN HA H 1 5.405 0.020 . 1 . . . . A 13 ASN HA . 31251 1 145 . 1 . 1 13 13 ASN HB2 H 1 2.815 0.020 . 2 . . . . A 13 ASN HB2 . 31251 1 146 . 1 . 1 13 13 ASN HB3 H 1 3.253 0.020 . 2 . . . . A 13 ASN HB3 . 31251 1 147 . 1 . 1 13 13 ASN HD21 H 1 6.930 0.020 . 2 . . . . A 13 ASN HD21 . 31251 1 148 . 1 . 1 13 13 ASN HD22 H 1 8.914 0.020 . 2 . . . . A 13 ASN HD22 . 31251 1 149 . 1 . 1 13 13 ASN C C 13 175.354 0.400 . 1 . . . . A 13 ASN C . 31251 1 150 . 1 . 1 13 13 ASN CA C 13 52.457 0.400 . 1 . . . . A 13 ASN CA . 31251 1 151 . 1 . 1 13 13 ASN CB C 13 38.113 0.400 . 1 . . . . A 13 ASN CB . 31251 1 152 . 1 . 1 13 13 ASN N N 15 124.431 0.400 . 1 . . . . A 13 ASN N . 31251 1 153 . 1 . 1 13 13 ASN ND2 N 15 116.949 0.400 . 1 . . . . A 13 ASN ND2 . 31251 1 154 . 1 . 1 14 14 SER H H 1 7.860 0.020 . 1 . . . . A 14 SER H . 31251 1 155 . 1 . 1 14 14 SER HA H 1 4.398 0.020 . 1 . . . . A 14 SER HA . 31251 1 156 . 1 . 1 14 14 SER HB2 H 1 3.419 0.020 . 2 . . . . A 14 SER HB2 . 31251 1 157 . 1 . 1 14 14 SER HB3 H 1 3.423 0.020 . 2 . . . . A 14 SER HB3 . 31251 1 158 . 1 . 1 14 14 SER C C 13 172.933 0.400 . 1 . . . . A 14 SER C . 31251 1 159 . 1 . 1 14 14 SER CA C 13 58.340 0.400 . 1 . . . . A 14 SER CA . 31251 1 160 . 1 . 1 14 14 SER CB C 13 65.681 0.400 . 1 . . . . A 14 SER CB . 31251 1 161 . 1 . 1 14 14 SER N N 15 117.855 0.400 . 1 . . . . A 14 SER N . 31251 1 162 . 1 . 1 15 15 ASN H H 1 9.427 0.020 . 1 . . . . A 15 ASN H . 31251 1 163 . 1 . 1 15 15 ASN HA H 1 4.981 0.020 . 1 . . . . A 15 ASN HA . 31251 1 164 . 1 . 1 15 15 ASN HB2 H 1 2.523 0.020 . 2 . . . . A 15 ASN HB2 . 31251 1 165 . 1 . 1 15 15 ASN HB3 H 1 2.760 0.020 . 2 . . . . A 15 ASN HB3 . 31251 1 166 . 1 . 1 15 15 ASN HD21 H 1 6.914 0.020 . 2 . . . . A 15 ASN HD21 . 31251 1 167 . 1 . 1 15 15 ASN HD22 H 1 7.614 0.020 . 2 . . . . A 15 ASN HD22 . 31251 1 168 . 1 . 1 15 15 ASN C C 13 175.749 0.400 . 1 . . . . A 15 ASN C . 31251 1 169 . 1 . 1 15 15 ASN CA C 13 52.549 0.400 . 1 . . . . A 15 ASN CA . 31251 1 170 . 1 . 1 15 15 ASN CB C 13 39.414 0.400 . 1 . . . . A 15 ASN CB . 31251 1 171 . 1 . 1 15 15 ASN N N 15 115.328 0.400 . 1 . . . . A 15 ASN N . 31251 1 172 . 1 . 1 15 15 ASN ND2 N 15 112.573 0.400 . 1 . . . . A 15 ASN ND2 . 31251 1 173 . 1 . 1 16 16 HIS H H 1 9.265 0.020 . 1 . . . . A 16 HIS H . 31251 1 174 . 1 . 1 16 16 HIS HA H 1 4.762 0.020 . 1 . . . . A 16 HIS HA . 31251 1 175 . 1 . 1 16 16 HIS HB2 H 1 2.703 0.020 . 2 . . . . A 16 HIS HB2 . 31251 1 176 . 1 . 1 16 16 HIS HB3 H 1 2.795 0.020 . 2 . . . . A 16 HIS HB3 . 31251 1 177 . 1 . 1 16 16 HIS C C 13 175.138 0.400 . 1 . . . . A 16 HIS C . 31251 1 178 . 1 . 1 16 16 HIS CA C 13 56.703 0.400 . 1 . . . . A 16 HIS CA . 31251 1 179 . 1 . 1 16 16 HIS CB C 13 35.203 0.400 . 1 . . . . A 16 HIS CB . 31251 1 180 . 1 . 1 16 16 HIS N N 15 121.361 0.400 . 1 . . . . A 16 HIS N . 31251 1 181 . 1 . 1 17 17 VAL H H 1 8.842 0.020 . 1 . . . . A 17 VAL H . 31251 1 182 . 1 . 1 17 17 VAL HA H 1 3.796 0.020 . 1 . . . . A 17 VAL HA . 31251 1 183 . 1 . 1 17 17 VAL HB H 1 2.029 0.020 . 1 . . . . A 17 VAL HB . 31251 1 184 . 1 . 1 17 17 VAL HG11 H 1 0.882 0.020 . 2 . . . . A 17 VAL HG11 . 31251 1 185 . 1 . 1 17 17 VAL HG12 H 1 0.882 0.020 . 2 . . . . A 17 VAL HG12 . 31251 1 186 . 1 . 1 17 17 VAL HG13 H 1 0.882 0.020 . 2 . . . . A 17 VAL HG13 . 31251 1 187 . 1 . 1 17 17 VAL HG21 H 1 1.072 0.020 . 2 . . . . A 17 VAL HG21 . 31251 1 188 . 1 . 1 17 17 VAL HG22 H 1 1.072 0.020 . 2 . . . . A 17 VAL HG22 . 31251 1 189 . 1 . 1 17 17 VAL HG23 H 1 1.072 0.020 . 2 . . . . A 17 VAL HG23 . 31251 1 190 . 1 . 1 17 17 VAL C C 13 176.709 0.400 . 1 . . . . A 17 VAL C . 31251 1 191 . 1 . 1 17 17 VAL CA C 13 63.066 0.400 . 1 . . . . A 17 VAL CA . 31251 1 192 . 1 . 1 17 17 VAL CB C 13 33.225 0.400 . 1 . . . . A 17 VAL CB . 31251 1 193 . 1 . 1 17 17 VAL CG1 C 13 20.900 0.400 . 2 . . . . A 17 VAL CG1 . 31251 1 194 . 1 . 1 17 17 VAL CG2 C 13 22.662 0.400 . 2 . . . . A 17 VAL CG2 . 31251 1 195 . 1 . 1 17 17 VAL N N 15 122.167 0.400 . 1 . . . . A 17 VAL N . 31251 1 196 . 1 . 1 18 18 PHE H H 1 8.345 0.020 . 1 . . . . A 18 PHE H . 31251 1 197 . 1 . 1 18 18 PHE HA H 1 5.551 0.020 . 1 . . . . A 18 PHE HA . 31251 1 198 . 1 . 1 18 18 PHE HB2 H 1 3.103 0.020 . 2 . . . . A 18 PHE HB2 . 31251 1 199 . 1 . 1 18 18 PHE HB3 H 1 2.763 0.020 . 2 . . . . A 18 PHE HB3 . 31251 1 200 . 1 . 1 18 18 PHE HD1 H 1 6.583 0.020 . 1 . . . . A 18 PHE HD1 . 31251 1 201 . 1 . 1 18 18 PHE HD2 H 1 6.583 0.020 . 1 . . . . A 18 PHE HD2 . 31251 1 202 . 1 . 1 18 18 PHE HE1 H 1 7.129 0.020 . 1 . . . . A 18 PHE HE1 . 31251 1 203 . 1 . 1 18 18 PHE HE2 H 1 7.129 0.020 . 1 . . . . A 18 PHE HE2 . 31251 1 204 . 1 . 1 18 18 PHE HZ H 1 7.081 0.020 . 1 . . . . A 18 PHE HZ . 31251 1 205 . 1 . 1 18 18 PHE C C 13 176.211 0.400 . 1 . . . . A 18 PHE C . 31251 1 206 . 1 . 1 18 18 PHE CA C 13 54.588 0.400 . 1 . . . . A 18 PHE CA . 31251 1 207 . 1 . 1 18 18 PHE CB C 13 38.997 0.400 . 1 . . . . A 18 PHE CB . 31251 1 208 . 1 . 1 18 18 PHE CD1 C 13 129.034 0.400 . 3 . . . . A 18 PHE CD1 . 31251 1 209 . 1 . 1 18 18 PHE CE1 C 13 130.159 0.400 . 3 . . . . A 18 PHE CE1 . 31251 1 210 . 1 . 1 18 18 PHE CZ C 13 127.534 0.400 . 1 . . . . A 18 PHE CZ . 31251 1 211 . 1 . 1 18 18 PHE N N 15 128.190 0.400 . 1 . . . . A 18 PHE N . 31251 1 212 . 1 . 1 19 19 THR H H 1 9.086 0.020 . 1 . . . . A 19 THR H . 31251 1 213 . 1 . 1 19 19 THR HA H 1 4.948 0.020 . 1 . . . . A 19 THR HA . 31251 1 214 . 1 . 1 19 19 THR HB H 1 3.884 0.020 . 1 . . . . A 19 THR HB . 31251 1 215 . 1 . 1 19 19 THR HG21 H 1 1.224 0.020 . 1 . . . . A 19 THR HG21 . 31251 1 216 . 1 . 1 19 19 THR HG22 H 1 1.224 0.020 . 1 . . . . A 19 THR HG22 . 31251 1 217 . 1 . 1 19 19 THR HG23 H 1 1.224 0.020 . 1 . . . . A 19 THR HG23 . 31251 1 218 . 1 . 1 19 19 THR C C 13 174.263 0.400 . 1 . . . . A 19 THR C . 31251 1 219 . 1 . 1 19 19 THR CA C 13 62.479 0.400 . 1 . . . . A 19 THR CA . 31251 1 220 . 1 . 1 19 19 THR CB C 13 70.049 0.400 . 1 . . . . A 19 THR CB . 31251 1 221 . 1 . 1 19 19 THR CG2 C 13 20.991 0.400 . 1 . . . . A 19 THR CG2 . 31251 1 222 . 1 . 1 19 19 THR N N 15 120.060 0.400 . 1 . . . . A 19 THR N . 31251 1 223 . 1 . 1 20 20 ARG H H 1 9.510 0.020 . 1 . . . . A 20 ARG H . 31251 1 224 . 1 . 1 20 20 ARG HA H 1 3.954 0.020 . 1 . . . . A 20 ARG HA . 31251 1 225 . 1 . 1 20 20 ARG HB2 H 1 1.913 0.020 . 2 . . . . A 20 ARG HB2 . 31251 1 226 . 1 . 1 20 20 ARG HB3 H 1 1.816 0.020 . 2 . . . . A 20 ARG HB3 . 31251 1 227 . 1 . 1 20 20 ARG HG2 H 1 1.041 0.020 . 2 . . . . A 20 ARG HG2 . 31251 1 228 . 1 . 1 20 20 ARG HG3 H 1 1.116 0.020 . 2 . . . . A 20 ARG HG3 . 31251 1 229 . 1 . 1 20 20 ARG HD2 H 1 2.463 0.020 . 2 . . . . A 20 ARG HD2 . 31251 1 230 . 1 . 1 20 20 ARG HD3 H 1 2.555 0.020 . 2 . . . . A 20 ARG HD3 . 31251 1 231 . 1 . 1 20 20 ARG C C 13 176.774 0.400 . 1 . . . . A 20 ARG C . 31251 1 232 . 1 . 1 20 20 ARG CA C 13 57.555 0.400 . 1 . . . . A 20 ARG CA . 31251 1 233 . 1 . 1 20 20 ARG CB C 13 32.234 0.400 . 1 . . . . A 20 ARG CB . 31251 1 234 . 1 . 1 20 20 ARG CG C 13 26.090 0.400 . 1 . . . . A 20 ARG CG . 31251 1 235 . 1 . 1 20 20 ARG CD C 13 43.496 0.400 . 1 . . . . A 20 ARG CD . 31251 1 236 . 1 . 1 20 20 ARG N N 15 131.897 0.400 . 1 . . . . A 20 ARG N . 31251 1 237 . 1 . 1 21 21 THR H H 1 9.515 0.020 . 1 . . . . A 21 THR H . 31251 1 238 . 1 . 1 21 21 THR HA H 1 4.480 0.020 . 1 . . . . A 21 THR HA . 31251 1 239 . 1 . 1 21 21 THR HB H 1 4.202 0.020 . 1 . . . . A 21 THR HB . 31251 1 240 . 1 . 1 21 21 THR HG21 H 1 1.183 0.020 . 1 . . . . A 21 THR HG21 . 31251 1 241 . 1 . 1 21 21 THR HG22 H 1 1.183 0.020 . 1 . . . . A 21 THR HG22 . 31251 1 242 . 1 . 1 21 21 THR HG23 H 1 1.183 0.020 . 1 . . . . A 21 THR HG23 . 31251 1 243 . 1 . 1 21 21 THR C C 13 175.688 0.400 . 1 . . . . A 21 THR C . 31251 1 244 . 1 . 1 21 21 THR CA C 13 61.691 0.400 . 1 . . . . A 21 THR CA . 31251 1 245 . 1 . 1 21 21 THR CB C 13 70.037 0.400 . 1 . . . . A 21 THR CB . 31251 1 246 . 1 . 1 21 21 THR CG2 C 13 22.259 0.400 . 1 . . . . A 21 THR CG2 . 31251 1 247 . 1 . 1 21 21 THR N N 15 118.529 0.400 . 1 . . . . A 21 THR N . 31251 1 248 . 1 . 1 22 22 ALA H H 1 7.541 0.020 . 1 . . . . A 22 ALA H . 31251 1 249 . 1 . 1 22 22 ALA HA H 1 4.496 0.020 . 1 . . . . A 22 ALA HA . 31251 1 250 . 1 . 1 22 22 ALA HB1 H 1 1.302 0.020 . 1 . . . . A 22 ALA HB1 . 31251 1 251 . 1 . 1 22 22 ALA HB2 H 1 1.302 0.020 . 1 . . . . A 22 ALA HB2 . 31251 1 252 . 1 . 1 22 22 ALA HB3 H 1 1.302 0.020 . 1 . . . . A 22 ALA HB3 . 31251 1 253 . 1 . 1 22 22 ALA C C 13 175.728 0.400 . 1 . . . . A 22 ALA C . 31251 1 254 . 1 . 1 22 22 ALA CA C 13 52.805 0.400 . 1 . . . . A 22 ALA CA . 31251 1 255 . 1 . 1 22 22 ALA CB C 13 22.644 0.400 . 1 . . . . A 22 ALA CB . 31251 1 256 . 1 . 1 22 22 ALA N N 15 122.398 0.400 . 1 . . . . A 22 ALA N . 31251 1 257 . 1 . 1 23 23 ILE H H 1 8.031 0.020 . 1 . . . . A 23 ILE H . 31251 1 258 . 1 . 1 23 23 ILE HA H 1 4.609 0.020 . 1 . . . . A 23 ILE HA . 31251 1 259 . 1 . 1 23 23 ILE HB H 1 1.185 0.020 . 1 . . . . A 23 ILE HB . 31251 1 260 . 1 . 1 23 23 ILE HG12 H 1 0.448 0.020 . 2 . . . . A 23 ILE HG12 . 31251 1 261 . 1 . 1 23 23 ILE HG13 H 1 0.942 0.020 . 2 . . . . A 23 ILE HG13 . 31251 1 262 . 1 . 1 23 23 ILE HG21 H 1 0.268 0.020 . 1 . . . . A 23 ILE HG21 . 31251 1 263 . 1 . 1 23 23 ILE HG22 H 1 0.268 0.020 . 1 . . . . A 23 ILE HG22 . 31251 1 264 . 1 . 1 23 23 ILE HG23 H 1 0.268 0.020 . 1 . . . . A 23 ILE HG23 . 31251 1 265 . 1 . 1 23 23 ILE HD11 H 1 -0.375 0.020 . 1 . . . . A 23 ILE HD11 . 31251 1 266 . 1 . 1 23 23 ILE HD12 H 1 -0.375 0.020 . 1 . . . . A 23 ILE HD12 . 31251 1 267 . 1 . 1 23 23 ILE HD13 H 1 -0.375 0.020 . 1 . . . . A 23 ILE HD13 . 31251 1 268 . 1 . 1 23 23 ILE C C 13 174.111 0.400 . 1 . . . . A 23 ILE C . 31251 1 269 . 1 . 1 23 23 ILE CA C 13 59.725 0.400 . 1 . . . . A 23 ILE CA . 31251 1 270 . 1 . 1 23 23 ILE CB C 13 40.538 0.400 . 1 . . . . A 23 ILE CB . 31251 1 271 . 1 . 1 23 23 ILE CG1 C 13 25.886 0.400 . 1 . . . . A 23 ILE CG1 . 31251 1 272 . 1 . 1 23 23 ILE CG2 C 13 16.665 0.400 . 1 . . . . A 23 ILE CG2 . 31251 1 273 . 1 . 1 23 23 ILE CD1 C 13 11.904 0.400 . 1 . . . . A 23 ILE CD1 . 31251 1 274 . 1 . 1 23 23 ILE N N 15 114.542 0.400 . 1 . . . . A 23 ILE N . 31251 1 275 . 1 . 1 24 24 TYR H H 1 8.473 0.020 . 1 . . . . A 24 TYR H . 31251 1 276 . 1 . 1 24 24 TYR HA H 1 4.469 0.020 . 1 . . . . A 24 TYR HA . 31251 1 277 . 1 . 1 24 24 TYR HB2 H 1 0.872 0.020 . 2 . . . . A 24 TYR HB2 . 31251 1 278 . 1 . 1 24 24 TYR HB3 H 1 1.981 0.020 . 2 . . . . A 24 TYR HB3 . 31251 1 279 . 1 . 1 24 24 TYR HD1 H 1 6.642 0.020 . 1 . . . . A 24 TYR HD1 . 31251 1 280 . 1 . 1 24 24 TYR HD2 H 1 6.642 0.020 . 1 . . . . A 24 TYR HD2 . 31251 1 281 . 1 . 1 24 24 TYR HE1 H 1 6.551 0.020 . 1 . . . . A 24 TYR HE1 . 31251 1 282 . 1 . 1 24 24 TYR HE2 H 1 6.551 0.020 . 1 . . . . A 24 TYR HE2 . 31251 1 283 . 1 . 1 24 24 TYR C C 13 173.337 0.400 . 1 . . . . A 24 TYR C . 31251 1 284 . 1 . 1 24 24 TYR CA C 13 57.220 0.400 . 1 . . . . A 24 TYR CA . 31251 1 285 . 1 . 1 24 24 TYR CB C 13 40.331 0.400 . 1 . . . . A 24 TYR CB . 31251 1 286 . 1 . 1 24 24 TYR CD1 C 13 133.159 0.400 . 3 . . . . A 24 TYR CD1 . 31251 1 287 . 1 . 1 24 24 TYR CE1 C 13 117.437 0.400 . 3 . . . . A 24 TYR CE1 . 31251 1 288 . 1 . 1 24 24 TYR N N 15 125.699 0.400 . 1 . . . . A 24 TYR N . 31251 1 289 . 1 . 1 25 25 SER H H 1 7.160 0.020 . 1 . . . . A 25 SER H . 31251 1 290 . 1 . 1 25 25 SER HA H 1 4.829 0.020 . 1 . . . . A 25 SER HA . 31251 1 291 . 1 . 1 25 25 SER HB2 H 1 3.486 0.020 . 2 . . . . A 25 SER HB2 . 31251 1 292 . 1 . 1 25 25 SER HB3 H 1 3.487 0.020 . 2 . . . . A 25 SER HB3 . 31251 1 293 . 1 . 1 25 25 SER C C 13 174.133 0.400 . 1 . . . . A 25 SER C . 31251 1 294 . 1 . 1 25 25 SER CA C 13 54.215 0.400 . 1 . . . . A 25 SER CA . 31251 1 295 . 1 . 1 25 25 SER CB C 13 64.317 0.400 . 1 . . . . A 25 SER CB . 31251 1 296 . 1 . 1 25 25 SER N N 15 118.277 0.400 . 1 . . . . A 25 SER N . 31251 1 297 . 1 . 1 26 26 LYS H H 1 8.436 0.020 . 1 . . . . A 26 LYS H . 31251 1 298 . 1 . 1 26 26 LYS HA H 1 3.565 0.020 . 1 . . . . A 26 LYS HA . 31251 1 299 . 1 . 1 26 26 LYS HB2 H 1 1.529 0.020 . 2 . . . . A 26 LYS HB2 . 31251 1 300 . 1 . 1 26 26 LYS HB3 H 1 1.155 0.020 . 2 . . . . A 26 LYS HB3 . 31251 1 301 . 1 . 1 26 26 LYS HG2 H 1 0.262 0.020 . 2 . . . . A 26 LYS HG2 . 31251 1 302 . 1 . 1 26 26 LYS HG3 H 1 0.953 0.020 . 2 . . . . A 26 LYS HG3 . 31251 1 303 . 1 . 1 26 26 LYS HD2 H 1 1.199 0.020 . 2 . . . . A 26 LYS HD2 . 31251 1 304 . 1 . 1 26 26 LYS HD3 H 1 1.454 0.020 . 2 . . . . A 26 LYS HD3 . 31251 1 305 . 1 . 1 26 26 LYS HE2 H 1 2.839 0.020 . 2 . . . . A 26 LYS HE2 . 31251 1 306 . 1 . 1 26 26 LYS HE3 H 1 2.702 0.020 . 2 . . . . A 26 LYS HE3 . 31251 1 307 . 1 . 1 26 26 LYS C C 13 176.245 0.400 . 1 . . . . A 26 LYS C . 31251 1 308 . 1 . 1 26 26 LYS CA C 13 58.406 0.400 . 1 . . . . A 26 LYS CA . 31251 1 309 . 1 . 1 26 26 LYS CB C 13 33.621 0.400 . 1 . . . . A 26 LYS CB . 31251 1 310 . 1 . 1 26 26 LYS CG C 13 24.615 0.400 . 1 . . . . A 26 LYS CG . 31251 1 311 . 1 . 1 26 26 LYS CD C 13 29.347 0.400 . 1 . . . . A 26 LYS CD . 31251 1 312 . 1 . 1 26 26 LYS CE C 13 41.920 0.400 . 1 . . . . A 26 LYS CE . 31251 1 313 . 1 . 1 26 26 LYS N N 15 128.174 0.400 . 1 . . . . A 26 LYS N . 31251 1 314 . 1 . 1 27 27 TYR H H 1 7.018 0.020 . 1 . . . . A 27 TYR H . 31251 1 315 . 1 . 1 27 27 TYR HA H 1 5.685 0.020 . 1 . . . . A 27 TYR HA . 31251 1 316 . 1 . 1 27 27 TYR HB2 H 1 3.077 0.020 . 2 . . . . A 27 TYR HB2 . 31251 1 317 . 1 . 1 27 27 TYR HB3 H 1 2.626 0.020 . 2 . . . . A 27 TYR HB3 . 31251 1 318 . 1 . 1 27 27 TYR HD1 H 1 7.147 0.020 . 1 . . . . A 27 TYR HD1 . 31251 1 319 . 1 . 1 27 27 TYR HD2 H 1 7.147 0.020 . 1 . . . . A 27 TYR HD2 . 31251 1 320 . 1 . 1 27 27 TYR HE1 H 1 6.600 0.020 . 1 . . . . A 27 TYR HE1 . 31251 1 321 . 1 . 1 27 27 TYR HE2 H 1 6.600 0.020 . 1 . . . . A 27 TYR HE2 . 31251 1 322 . 1 . 1 27 27 TYR CB C 13 39.855 0.400 . 1 . . . . A 27 TYR CB . 31251 1 323 . 1 . 1 27 27 TYR CD1 C 13 133.159 0.400 . 3 . . . . A 27 TYR CD1 . 31251 1 324 . 1 . 1 27 27 TYR CE1 C 13 117.578 0.400 . 3 . . . . A 27 TYR CE1 . 31251 1 325 . 1 . 1 27 27 TYR N N 15 112.625 0.400 . 1 . . . . A 27 TYR N . 31251 1 326 . 1 . 1 28 28 ALA HA H 1 4.313 0.020 . 1 . . . . A 28 ALA HA . 31251 1 327 . 1 . 1 28 28 ALA HB1 H 1 1.472 0.020 . 1 . . . . A 28 ALA HB1 . 31251 1 328 . 1 . 1 28 28 ALA HB2 H 1 1.472 0.020 . 1 . . . . A 28 ALA HB2 . 31251 1 329 . 1 . 1 28 28 ALA HB3 H 1 1.472 0.020 . 1 . . . . A 28 ALA HB3 . 31251 1 330 . 1 . 1 28 28 ALA CA C 13 53.174 0.400 . 1 . . . . A 28 ALA CA . 31251 1 331 . 1 . 1 28 28 ALA CB C 13 19.048 0.400 . 1 . . . . A 28 ALA CB . 31251 1 332 . 1 . 1 29 29 ALA HA H 1 4.432 0.020 . 1 . . . . A 29 ALA HA . 31251 1 333 . 1 . 1 29 29 ALA HB1 H 1 1.282 0.020 . 1 . . . . A 29 ALA HB1 . 31251 1 334 . 1 . 1 29 29 ALA HB2 H 1 1.282 0.020 . 1 . . . . A 29 ALA HB2 . 31251 1 335 . 1 . 1 29 29 ALA HB3 H 1 1.282 0.020 . 1 . . . . A 29 ALA HB3 . 31251 1 336 . 1 . 1 29 29 ALA C C 13 176.334 0.400 . 1 . . . . A 29 ALA C . 31251 1 337 . 1 . 1 29 29 ALA CA C 13 51.597 0.400 . 1 . . . . A 29 ALA CA . 31251 1 338 . 1 . 1 29 29 ALA CB C 13 16.069 0.400 . 1 . . . . A 29 ALA CB . 31251 1 339 . 1 . 1 30 30 VAL H H 1 7.742 0.020 . 1 . . . . A 30 VAL H . 31251 1 340 . 1 . 1 30 30 VAL HA H 1 5.235 0.020 . 1 . . . . A 30 VAL HA . 31251 1 341 . 1 . 1 30 30 VAL HB H 1 1.845 0.020 . 1 . . . . A 30 VAL HB . 31251 1 342 . 1 . 1 30 30 VAL HG11 H 1 0.564 0.020 . 2 . . . . A 30 VAL HG11 . 31251 1 343 . 1 . 1 30 30 VAL HG12 H 1 0.564 0.020 . 2 . . . . A 30 VAL HG12 . 31251 1 344 . 1 . 1 30 30 VAL HG13 H 1 0.564 0.020 . 2 . . . . A 30 VAL HG13 . 31251 1 345 . 1 . 1 30 30 VAL HG21 H 1 0.723 0.020 . 2 . . . . A 30 VAL HG21 . 31251 1 346 . 1 . 1 30 30 VAL HG22 H 1 0.723 0.020 . 2 . . . . A 30 VAL HG22 . 31251 1 347 . 1 . 1 30 30 VAL HG23 H 1 0.723 0.020 . 2 . . . . A 30 VAL HG23 . 31251 1 348 . 1 . 1 30 30 VAL CA C 13 58.514 0.400 . 1 . . . . A 30 VAL CA . 31251 1 349 . 1 . 1 30 30 VAL CB C 13 36.581 0.400 . 1 . . . . A 30 VAL CB . 31251 1 350 . 1 . 1 30 30 VAL CG1 C 13 16.233 0.400 . 2 . . . . A 30 VAL CG1 . 31251 1 351 . 1 . 1 30 30 VAL CG2 C 13 21.900 0.400 . 2 . . . . A 30 VAL CG2 . 31251 1 352 . 1 . 1 30 30 VAL N N 15 114.092 0.400 . 1 . . . . A 30 VAL N . 31251 1 353 . 1 . 1 31 31 GLN H H 1 7.674 0.020 . 1 . . . . A 31 GLN H . 31251 1 354 . 1 . 1 31 31 GLN HA H 1 4.594 0.020 . 1 . . . . A 31 GLN HA . 31251 1 355 . 1 . 1 31 31 GLN HB2 H 1 1.159 0.020 . 2 . . . . A 31 GLN HB2 . 31251 1 356 . 1 . 1 31 31 GLN HB3 H 1 1.859 0.020 . 2 . . . . A 31 GLN HB3 . 31251 1 357 . 1 . 1 31 31 GLN HG2 H 1 2.352 0.020 . 2 . . . . A 31 GLN HG2 . 31251 1 358 . 1 . 1 31 31 GLN HG3 H 1 2.517 0.020 . 2 . . . . A 31 GLN HG3 . 31251 1 359 . 1 . 1 31 31 GLN HE21 H 1 6.029 0.020 . 2 . . . . A 31 GLN HE21 . 31251 1 360 . 1 . 1 31 31 GLN HE22 H 1 7.173 0.020 . 2 . . . . A 31 GLN HE22 . 31251 1 361 . 1 . 1 31 31 GLN CA C 13 61.539 0.400 . 1 . . . . A 31 GLN CA . 31251 1 362 . 1 . 1 31 31 GLN CB C 13 31.371 0.400 . 1 . . . . A 31 GLN CB . 31251 1 363 . 1 . 1 31 31 GLN CG C 13 34.784 0.400 . 1 . . . . A 31 GLN CG . 31251 1 364 . 1 . 1 31 31 GLN N N 15 123.353 0.400 . 1 . . . . A 31 GLN N . 31251 1 365 . 1 . 1 31 31 GLN NE2 N 15 112.300 0.400 . 1 . . . . A 31 GLN NE2 . 31251 1 366 . 1 . 1 32 32 TRP HA H 1 5.243 0.020 . 1 . . . . A 32 TRP HA . 31251 1 367 . 1 . 1 32 32 TRP HB2 H 1 2.966 0.020 . 2 . . . . A 32 TRP HB2 . 31251 1 368 . 1 . 1 32 32 TRP HB3 H 1 3.116 0.020 . 2 . . . . A 32 TRP HB3 . 31251 1 369 . 1 . 1 32 32 TRP HD1 H 1 7.225 0.020 . 1 . . . . A 32 TRP HD1 . 31251 1 370 . 1 . 1 32 32 TRP HE1 H 1 10.192 0.020 . 1 . . . . A 32 TRP HE1 . 31251 1 371 . 1 . 1 32 32 TRP HE3 H 1 7.422 0.020 . 1 . . . . A 32 TRP HE3 . 31251 1 372 . 1 . 1 32 32 TRP HZ2 H 1 6.960 0.020 . 1 . . . . A 32 TRP HZ2 . 31251 1 373 . 1 . 1 32 32 TRP HZ3 H 1 6.963 0.020 . 1 . . . . A 32 TRP HZ3 . 31251 1 374 . 1 . 1 32 32 TRP HH2 H 1 7.053 0.020 . 1 . . . . A 32 TRP HH2 . 31251 1 375 . 1 . 1 32 32 TRP C C 13 177.293 0.400 . 1 . . . . A 32 TRP C . 31251 1 376 . 1 . 1 32 32 TRP CA C 13 55.725 0.400 . 1 . . . . A 32 TRP CA . 31251 1 377 . 1 . 1 32 32 TRP CB C 13 28.681 0.400 . 1 . . . . A 32 TRP CB . 31251 1 378 . 1 . 1 32 32 TRP CD1 C 13 127.909 0.400 . 1 . . . . A 32 TRP CD1 . 31251 1 379 . 1 . 1 32 32 TRP CE3 C 13 119.283 0.400 . 1 . . . . A 32 TRP CE3 . 31251 1 380 . 1 . 1 32 32 TRP CZ2 C 13 114.783 0.400 . 1 . . . . A 32 TRP CZ2 . 31251 1 381 . 1 . 1 32 32 TRP CZ3 C 13 120.783 0.400 . 1 . . . . A 32 TRP CZ3 . 31251 1 382 . 1 . 1 32 32 TRP CH2 C 13 123.033 0.400 . 1 . . . . A 32 TRP CH2 . 31251 1 383 . 1 . 1 32 32 TRP NE1 N 15 129.801 0.400 . 1 . . . . A 32 TRP NE1 . 31251 1 384 . 1 . 1 33 33 SER H H 1 9.172 0.020 . 1 . . . . A 33 SER H . 31251 1 385 . 1 . 1 33 33 SER HA H 1 4.881 0.020 . 1 . . . . A 33 SER HA . 31251 1 386 . 1 . 1 33 33 SER HB2 H 1 3.394 0.020 . 2 . . . . A 33 SER HB2 . 31251 1 387 . 1 . 1 33 33 SER HB3 H 1 3.679 0.020 . 2 . . . . A 33 SER HB3 . 31251 1 388 . 1 . 1 33 33 SER CA C 13 54.623 0.400 . 1 . . . . A 33 SER CA . 31251 1 389 . 1 . 1 33 33 SER CB C 13 64.205 0.400 . 1 . . . . A 33 SER CB . 31251 1 390 . 1 . 1 33 33 SER N N 15 119.378 0.400 . 1 . . . . A 33 SER N . 31251 1 391 . 1 . 1 34 34 PRO HA H 1 4.797 0.020 . 1 . . . . A 34 PRO HA . 31251 1 392 . 1 . 1 34 34 PRO HB2 H 1 2.371 0.020 . 2 . . . . A 34 PRO HB2 . 31251 1 393 . 1 . 1 34 34 PRO HB3 H 1 2.457 0.020 . 2 . . . . A 34 PRO HB3 . 31251 1 394 . 1 . 1 34 34 PRO HG2 H 1 2.096 0.020 . 2 . . . . A 34 PRO HG2 . 31251 1 395 . 1 . 1 34 34 PRO HG3 H 1 2.214 0.020 . 2 . . . . A 34 PRO HG3 . 31251 1 396 . 1 . 1 34 34 PRO HD2 H 1 3.429 0.020 . 2 . . . . A 34 PRO HD2 . 31251 1 397 . 1 . 1 34 34 PRO HD3 H 1 3.773 0.020 . 2 . . . . A 34 PRO HD3 . 31251 1 398 . 1 . 1 34 34 PRO C C 13 176.268 0.400 . 1 . . . . A 34 PRO C . 31251 1 399 . 1 . 1 34 34 PRO CA C 13 63.390 0.400 . 1 . . . . A 34 PRO CA . 31251 1 400 . 1 . 1 34 34 PRO CB C 13 35.144 0.400 . 1 . . . . A 34 PRO CB . 31251 1 401 . 1 . 1 34 34 PRO CG C 13 25.190 0.400 . 1 . . . . A 34 PRO CG . 31251 1 402 . 1 . 1 34 34 PRO CD C 13 49.915 0.400 . 1 . . . . A 34 PRO CD . 31251 1 403 . 1 . 1 35 35 GLU H H 1 8.152 0.020 . 1 . . . . A 35 GLU H . 31251 1 404 . 1 . 1 35 35 GLU HA H 1 4.334 0.020 . 1 . . . . A 35 GLU HA . 31251 1 405 . 1 . 1 35 35 GLU HB2 H 1 1.628 0.020 . 2 . . . . A 35 GLU HB2 . 31251 1 406 . 1 . 1 35 35 GLU HB3 H 1 1.654 0.020 . 2 . . . . A 35 GLU HB3 . 31251 1 407 . 1 . 1 35 35 GLU HG2 H 1 1.863 0.020 . 2 . . . . A 35 GLU HG2 . 31251 1 408 . 1 . 1 35 35 GLU HG3 H 1 2.069 0.020 . 2 . . . . A 35 GLU HG3 . 31251 1 409 . 1 . 1 35 35 GLU CA C 13 54.869 0.400 . 1 . . . . A 35 GLU CA . 31251 1 410 . 1 . 1 35 35 GLU CB C 13 28.977 0.400 . 1 . . . . A 35 GLU CB . 31251 1 411 . 1 . 1 35 35 GLU CG C 13 35.985 0.400 . 1 . . . . A 35 GLU CG . 31251 1 412 . 1 . 1 35 35 GLU N N 15 115.408 0.400 . 1 . . . . A 35 GLU N . 31251 1 413 . 1 . 1 36 36 PRO HA H 1 4.397 0.020 . 1 . . . . A 36 PRO HA . 31251 1 414 . 1 . 1 36 36 PRO HB2 H 1 1.168 0.020 . 2 . . . . A 36 PRO HB2 . 31251 1 415 . 1 . 1 36 36 PRO HB3 H 1 1.852 0.020 . 2 . . . . A 36 PRO HB3 . 31251 1 416 . 1 . 1 36 36 PRO HG2 H 1 0.186 0.020 . 2 . . . . A 36 PRO HG2 . 31251 1 417 . 1 . 1 36 36 PRO HG3 H 1 0.904 0.020 . 2 . . . . A 36 PRO HG3 . 31251 1 418 . 1 . 1 36 36 PRO HD2 H 1 2.581 0.020 . 2 . . . . A 36 PRO HD2 . 31251 1 419 . 1 . 1 36 36 PRO HD3 H 1 3.084 0.020 . 2 . . . . A 36 PRO HD3 . 31251 1 420 . 1 . 1 36 36 PRO C C 13 178.277 0.400 . 1 . . . . A 36 PRO C . 31251 1 421 . 1 . 1 36 36 PRO CA C 13 62.219 0.400 . 1 . . . . A 36 PRO CA . 31251 1 422 . 1 . 1 36 36 PRO CB C 13 31.516 0.400 . 1 . . . . A 36 PRO CB . 31251 1 423 . 1 . 1 36 36 PRO CG C 13 26.778 0.400 . 1 . . . . A 36 PRO CG . 31251 1 424 . 1 . 1 36 36 PRO CD C 13 49.624 0.400 . 1 . . . . A 36 PRO CD . 31251 1 425 . 1 . 1 37 37 GLN H H 1 10.211 0.020 . 1 . . . . A 37 GLN H . 31251 1 426 . 1 . 1 37 37 GLN HA H 1 4.047 0.020 . 1 . . . . A 37 GLN HA . 31251 1 427 . 1 . 1 37 37 GLN HB2 H 1 1.797 0.020 . 2 . . . . A 37 GLN HB2 . 31251 1 428 . 1 . 1 37 37 GLN HB3 H 1 2.315 0.020 . 2 . . . . A 37 GLN HB3 . 31251 1 429 . 1 . 1 37 37 GLN HG2 H 1 2.713 0.020 . 2 . . . . A 37 GLN HG2 . 31251 1 430 . 1 . 1 37 37 GLN HG3 H 1 2.712 0.020 . 2 . . . . A 37 GLN HG3 . 31251 1 431 . 1 . 1 37 37 GLN HE21 H 1 6.958 0.020 . 2 . . . . A 37 GLN HE21 . 31251 1 432 . 1 . 1 37 37 GLN HE22 H 1 8.084 0.020 . 2 . . . . A 37 GLN HE22 . 31251 1 433 . 1 . 1 37 37 GLN C C 13 177.677 0.400 . 1 . . . . A 37 GLN C . 31251 1 434 . 1 . 1 37 37 GLN CA C 13 55.946 0.400 . 1 . . . . A 37 GLN CA . 31251 1 435 . 1 . 1 37 37 GLN CB C 13 30.224 0.400 . 1 . . . . A 37 GLN CB . 31251 1 436 . 1 . 1 37 37 GLN CG C 13 34.431 0.400 . 1 . . . . A 37 GLN CG . 31251 1 437 . 1 . 1 37 37 GLN N N 15 125.878 0.400 . 1 . . . . A 37 GLN N . 31251 1 438 . 1 . 1 37 37 GLN NE2 N 15 115.308 0.400 . 1 . . . . A 37 GLN NE2 . 31251 1 439 . 1 . 1 38 38 LEU H H 1 8.557 0.020 . 1 . . . . A 38 LEU H . 31251 1 440 . 1 . 1 38 38 LEU HA H 1 3.953 0.020 . 1 . . . . A 38 LEU HA . 31251 1 441 . 1 . 1 38 38 LEU HB2 H 1 1.650 0.020 . 2 . . . . A 38 LEU HB2 . 31251 1 442 . 1 . 1 38 38 LEU HB3 H 1 1.719 0.020 . 2 . . . . A 38 LEU HB3 . 31251 1 443 . 1 . 1 38 38 LEU HG H 1 1.631 0.020 . 1 . . . . A 38 LEU HG . 31251 1 444 . 1 . 1 38 38 LEU HD11 H 1 0.760 0.020 . 2 . . . . A 38 LEU HD11 . 31251 1 445 . 1 . 1 38 38 LEU HD12 H 1 0.760 0.020 . 2 . . . . A 38 LEU HD12 . 31251 1 446 . 1 . 1 38 38 LEU HD13 H 1 0.760 0.020 . 2 . . . . A 38 LEU HD13 . 31251 1 447 . 1 . 1 38 38 LEU HD21 H 1 0.903 0.020 . 2 . . . . A 38 LEU HD21 . 31251 1 448 . 1 . 1 38 38 LEU HD22 H 1 0.903 0.020 . 2 . . . . A 38 LEU HD22 . 31251 1 449 . 1 . 1 38 38 LEU HD23 H 1 0.903 0.020 . 2 . . . . A 38 LEU HD23 . 31251 1 450 . 1 . 1 38 38 LEU C C 13 177.416 0.400 . 1 . . . . A 38 LEU C . 31251 1 451 . 1 . 1 38 38 LEU CA C 13 57.026 0.400 . 1 . . . . A 38 LEU CA . 31251 1 452 . 1 . 1 38 38 LEU CB C 13 41.500 0.400 . 1 . . . . A 38 LEU CB . 31251 1 453 . 1 . 1 38 38 LEU CG C 13 26.663 0.400 . 1 . . . . A 38 LEU CG . 31251 1 454 . 1 . 1 38 38 LEU CD1 C 13 22.234 0.400 . 2 . . . . A 38 LEU CD1 . 31251 1 455 . 1 . 1 38 38 LEU CD2 C 13 24.815 0.400 . 2 . . . . A 38 LEU CD2 . 31251 1 456 . 1 . 1 38 38 LEU N N 15 119.171 0.400 . 1 . . . . A 38 LEU N . 31251 1 457 . 1 . 1 39 39 SER H H 1 7.586 0.020 . 1 . . . . A 39 SER H . 31251 1 458 . 1 . 1 39 39 SER HA H 1 5.460 0.020 . 1 . . . . A 39 SER HA . 31251 1 459 . 1 . 1 39 39 SER HB2 H 1 3.809 0.020 . 2 . . . . A 39 SER HB2 . 31251 1 460 . 1 . 1 39 39 SER HB3 H 1 3.718 0.020 . 2 . . . . A 39 SER HB3 . 31251 1 461 . 1 . 1 39 39 SER C C 13 173.878 0.400 . 1 . . . . A 39 SER C . 31251 1 462 . 1 . 1 39 39 SER CA C 13 56.422 0.400 . 1 . . . . A 39 SER CA . 31251 1 463 . 1 . 1 39 39 SER CB C 13 65.162 0.400 . 1 . . . . A 39 SER CB . 31251 1 464 . 1 . 1 39 39 SER N N 15 110.271 0.400 . 1 . . . . A 39 SER N . 31251 1 465 . 1 . 1 40 40 ILE H H 1 8.985 0.020 . 1 . . . . A 40 ILE H . 31251 1 466 . 1 . 1 40 40 ILE HA H 1 4.387 0.020 . 1 . . . . A 40 ILE HA . 31251 1 467 . 1 . 1 40 40 ILE HB H 1 1.464 0.020 . 1 . . . . A 40 ILE HB . 31251 1 468 . 1 . 1 40 40 ILE HG12 H 1 1.537 0.020 . 2 . . . . A 40 ILE HG12 . 31251 1 469 . 1 . 1 40 40 ILE HG13 H 1 0.771 0.020 . 2 . . . . A 40 ILE HG13 . 31251 1 470 . 1 . 1 40 40 ILE HG21 H 1 0.738 0.020 . 1 . . . . A 40 ILE HG21 . 31251 1 471 . 1 . 1 40 40 ILE HG22 H 1 0.738 0.020 . 1 . . . . A 40 ILE HG22 . 31251 1 472 . 1 . 1 40 40 ILE HG23 H 1 0.738 0.020 . 1 . . . . A 40 ILE HG23 . 31251 1 473 . 1 . 1 40 40 ILE HD11 H 1 0.777 0.020 . 1 . . . . A 40 ILE HD11 . 31251 1 474 . 1 . 1 40 40 ILE HD12 H 1 0.777 0.020 . 1 . . . . A 40 ILE HD12 . 31251 1 475 . 1 . 1 40 40 ILE HD13 H 1 0.777 0.020 . 1 . . . . A 40 ILE HD13 . 31251 1 476 . 1 . 1 40 40 ILE C C 13 177.708 0.400 . 1 . . . . A 40 ILE C . 31251 1 477 . 1 . 1 40 40 ILE CA C 13 60.646 0.400 . 1 . . . . A 40 ILE CA . 31251 1 478 . 1 . 1 40 40 ILE CB C 13 40.819 0.400 . 1 . . . . A 40 ILE CB . 31251 1 479 . 1 . 1 40 40 ILE CG1 C 13 26.784 0.400 . 1 . . . . A 40 ILE CG1 . 31251 1 480 . 1 . 1 40 40 ILE CG2 C 13 18.683 0.400 . 1 . . . . A 40 ILE CG2 . 31251 1 481 . 1 . 1 40 40 ILE CD1 C 13 14.833 0.400 . 1 . . . . A 40 ILE CD1 . 31251 1 482 . 1 . 1 40 40 ILE N N 15 119.499 0.400 . 1 . . . . A 40 ILE N . 31251 1 483 . 1 . 1 41 41 SER H H 1 9.141 0.020 . 1 . . . . A 41 SER H . 31251 1 484 . 1 . 1 41 41 SER HA H 1 4.536 0.020 . 1 . . . . A 41 SER HA . 31251 1 485 . 1 . 1 41 41 SER HB2 H 1 3.975 0.020 . 2 . . . . A 41 SER HB2 . 31251 1 486 . 1 . 1 41 41 SER HB3 H 1 3.635 0.020 . 2 . . . . A 41 SER HB3 . 31251 1 487 . 1 . 1 41 41 SER CA C 13 59.168 0.400 . 1 . . . . A 41 SER CA . 31251 1 488 . 1 . 1 41 41 SER CB C 13 61.935 0.400 . 1 . . . . A 41 SER CB . 31251 1 489 . 1 . 1 41 41 SER N N 15 128.091 0.400 . 1 . . . . A 41 SER N . 31251 1 490 . 1 . 1 42 42 PRO HA H 1 3.940 0.020 . 1 . . . . A 42 PRO HA . 31251 1 491 . 1 . 1 42 42 PRO HB2 H 1 1.737 0.020 . 2 . . . . A 42 PRO HB2 . 31251 1 492 . 1 . 1 42 42 PRO HB3 H 1 2.636 0.020 . 2 . . . . A 42 PRO HB3 . 31251 1 493 . 1 . 1 42 42 PRO HG2 H 1 1.899 0.020 . 2 . . . . A 42 PRO HG2 . 31251 1 494 . 1 . 1 42 42 PRO HG3 H 1 1.398 0.020 . 2 . . . . A 42 PRO HG3 . 31251 1 495 . 1 . 1 42 42 PRO HD2 H 1 3.396 0.020 . 2 . . . . A 42 PRO HD2 . 31251 1 496 . 1 . 1 42 42 PRO HD3 H 1 3.608 0.020 . 2 . . . . A 42 PRO HD3 . 31251 1 497 . 1 . 1 42 42 PRO C C 13 178.007 0.400 . 1 . . . . A 42 PRO C . 31251 1 498 . 1 . 1 42 42 PRO CA C 13 64.752 0.400 . 1 . . . . A 42 PRO CA . 31251 1 499 . 1 . 1 42 42 PRO CB C 13 31.777 0.400 . 1 . . . . A 42 PRO CB . 31251 1 500 . 1 . 1 42 42 PRO CG C 13 27.140 0.400 . 1 . . . . A 42 PRO CG . 31251 1 501 . 1 . 1 42 42 PRO CD C 13 50.903 0.400 . 1 . . . . A 42 PRO CD . 31251 1 502 . 1 . 1 43 43 GLY H H 1 9.352 0.020 . 1 . . . . A 43 GLY H . 31251 1 503 . 1 . 1 43 43 GLY HA2 H 1 4.245 0.020 . 2 . . . . A 43 GLY HA2 . 31251 1 504 . 1 . 1 43 43 GLY HA3 H 1 3.843 0.020 . 2 . . . . A 43 GLY HA3 . 31251 1 505 . 1 . 1 43 43 GLY C C 13 174.459 0.400 . 1 . . . . A 43 GLY C . 31251 1 506 . 1 . 1 43 43 GLY CA C 13 45.147 0.400 . 1 . . . . A 43 GLY CA . 31251 1 507 . 1 . 1 43 43 GLY N N 15 113.937 0.400 . 1 . . . . A 43 GLY N . 31251 1 508 . 1 . 1 44 44 LYS H H 1 8.006 0.020 . 1 . . . . A 44 LYS H . 31251 1 509 . 1 . 1 44 44 LYS HA H 1 4.748 0.020 . 1 . . . . A 44 LYS HA . 31251 1 510 . 1 . 1 44 44 LYS HB2 H 1 2.156 0.020 . 2 . . . . A 44 LYS HB2 . 31251 1 511 . 1 . 1 44 44 LYS HB3 H 1 1.920 0.020 . 2 . . . . A 44 LYS HB3 . 31251 1 512 . 1 . 1 44 44 LYS HG2 H 1 1.108 0.020 . 2 . . . . A 44 LYS HG2 . 31251 1 513 . 1 . 1 44 44 LYS HG3 H 1 1.391 0.020 . 2 . . . . A 44 LYS HG3 . 31251 1 514 . 1 . 1 44 44 LYS HD2 H 1 1.579 0.020 . 2 . . . . A 44 LYS HD2 . 31251 1 515 . 1 . 1 44 44 LYS HD3 H 1 1.635 0.020 . 2 . . . . A 44 LYS HD3 . 31251 1 516 . 1 . 1 44 44 LYS HE2 H 1 2.938 0.020 . 2 . . . . A 44 LYS HE2 . 31251 1 517 . 1 . 1 44 44 LYS HE3 H 1 2.938 0.020 . 2 . . . . A 44 LYS HE3 . 31251 1 518 . 1 . 1 44 44 LYS C C 13 175.163 0.400 . 1 . . . . A 44 LYS C . 31251 1 519 . 1 . 1 44 44 LYS CA C 13 53.735 0.400 . 1 . . . . A 44 LYS CA . 31251 1 520 . 1 . 1 44 44 LYS CB C 13 33.071 0.400 . 1 . . . . A 44 LYS CB . 31251 1 521 . 1 . 1 44 44 LYS CG C 13 24.827 0.400 . 1 . . . . A 44 LYS CG . 31251 1 522 . 1 . 1 44 44 LYS CD C 13 27.652 0.400 . 1 . . . . A 44 LYS CD . 31251 1 523 . 1 . 1 44 44 LYS CE C 13 42.173 0.400 . 1 . . . . A 44 LYS CE . 31251 1 524 . 1 . 1 44 44 LYS N N 15 119.200 0.400 . 1 . . . . A 44 LYS N . 31251 1 525 . 1 . 1 45 45 TRP H H 1 7.848 0.020 . 1 . . . . A 45 TRP H . 31251 1 526 . 1 . 1 45 45 TRP HA H 1 5.623 0.020 . 1 . . . . A 45 TRP HA . 31251 1 527 . 1 . 1 45 45 TRP HB2 H 1 3.369 0.020 . 2 . . . . A 45 TRP HB2 . 31251 1 528 . 1 . 1 45 45 TRP HB3 H 1 3.123 0.020 . 2 . . . . A 45 TRP HB3 . 31251 1 529 . 1 . 1 45 45 TRP HD1 H 1 7.134 0.020 . 1 . . . . A 45 TRP HD1 . 31251 1 530 . 1 . 1 45 45 TRP HE1 H 1 10.241 0.020 . 1 . . . . A 45 TRP HE1 . 31251 1 531 . 1 . 1 45 45 TRP HE3 H 1 7.345 0.020 . 1 . . . . A 45 TRP HE3 . 31251 1 532 . 1 . 1 45 45 TRP HZ2 H 1 7.504 0.020 . 1 . . . . A 45 TRP HZ2 . 31251 1 533 . 1 . 1 45 45 TRP HZ3 H 1 7.146 0.020 . 1 . . . . A 45 TRP HZ3 . 31251 1 534 . 1 . 1 45 45 TRP HH2 H 1 7.230 0.020 . 1 . . . . A 45 TRP HH2 . 31251 1 535 . 1 . 1 45 45 TRP C C 13 174.338 0.400 . 1 . . . . A 45 TRP C . 31251 1 536 . 1 . 1 45 45 TRP CA C 13 54.326 0.400 . 1 . . . . A 45 TRP CA . 31251 1 537 . 1 . 1 45 45 TRP CB C 13 32.620 0.400 . 1 . . . . A 45 TRP CB . 31251 1 538 . 1 . 1 45 45 TRP CD1 C 13 127.159 0.400 . 1 . . . . A 45 TRP CD1 . 31251 1 539 . 1 . 1 45 45 TRP CE3 C 13 120.033 0.400 . 1 . . . . A 45 TRP CE3 . 31251 1 540 . 1 . 1 45 45 TRP CZ2 C 13 114.783 0.400 . 1 . . . . A 45 TRP CZ2 . 31251 1 541 . 1 . 1 45 45 TRP CZ3 C 13 122.283 0.400 . 1 . . . . A 45 TRP CZ3 . 31251 1 542 . 1 . 1 45 45 TRP CH2 C 13 124.533 0.400 . 1 . . . . A 45 TRP CH2 . 31251 1 543 . 1 . 1 45 45 TRP N N 15 116.901 0.400 . 1 . . . . A 45 TRP N . 31251 1 544 . 1 . 1 45 45 TRP NE1 N 15 130.312 0.400 . 1 . . . . A 45 TRP NE1 . 31251 1 545 . 1 . 1 46 46 ASP H H 1 9.440 0.020 . 1 . . . . A 46 ASP H . 31251 1 546 . 1 . 1 46 46 ASP HA H 1 4.972 0.020 . 1 . . . . A 46 ASP HA . 31251 1 547 . 1 . 1 46 46 ASP HB2 H 1 2.634 0.020 . 2 . . . . A 46 ASP HB2 . 31251 1 548 . 1 . 1 46 46 ASP HB3 H 1 2.524 0.020 . 2 . . . . A 46 ASP HB3 . 31251 1 549 . 1 . 1 46 46 ASP C C 13 174.052 0.400 . 1 . . . . A 46 ASP C . 31251 1 550 . 1 . 1 46 46 ASP CA C 13 52.705 0.400 . 1 . . . . A 46 ASP CA . 31251 1 551 . 1 . 1 46 46 ASP CB C 13 45.654 0.400 . 1 . . . . A 46 ASP CB . 31251 1 552 . 1 . 1 46 46 ASP N N 15 119.426 0.400 . 1 . . . . A 46 ASP N . 31251 1 553 . 1 . 1 47 47 LEU H H 1 8.115 0.020 . 1 . . . . A 47 LEU H . 31251 1 554 . 1 . 1 47 47 LEU HA H 1 5.550 0.020 . 1 . . . . A 47 LEU HA . 31251 1 555 . 1 . 1 47 47 LEU HB2 H 1 1.781 0.020 . 2 . . . . A 47 LEU HB2 . 31251 1 556 . 1 . 1 47 47 LEU HB3 H 1 1.713 0.020 . 2 . . . . A 47 LEU HB3 . 31251 1 557 . 1 . 1 47 47 LEU HG H 1 1.444 0.020 . 1 . . . . A 47 LEU HG . 31251 1 558 . 1 . 1 47 47 LEU HD11 H 1 0.851 0.020 . 2 . . . . A 47 LEU HD11 . 31251 1 559 . 1 . 1 47 47 LEU HD12 H 1 0.851 0.020 . 2 . . . . A 47 LEU HD12 . 31251 1 560 . 1 . 1 47 47 LEU HD13 H 1 0.851 0.020 . 2 . . . . A 47 LEU HD13 . 31251 1 561 . 1 . 1 47 47 LEU HD21 H 1 0.781 0.020 . 2 . . . . A 47 LEU HD21 . 31251 1 562 . 1 . 1 47 47 LEU HD22 H 1 0.781 0.020 . 2 . . . . A 47 LEU HD22 . 31251 1 563 . 1 . 1 47 47 LEU HD23 H 1 0.781 0.020 . 2 . . . . A 47 LEU HD23 . 31251 1 564 . 1 . 1 47 47 LEU C C 13 174.579 0.400 . 1 . . . . A 47 LEU C . 31251 1 565 . 1 . 1 47 47 LEU CA C 13 54.256 0.400 . 1 . . . . A 47 LEU CA . 31251 1 566 . 1 . 1 47 47 LEU CB C 13 44.575 0.400 . 1 . . . . A 47 LEU CB . 31251 1 567 . 1 . 1 47 47 LEU CG C 13 27.927 0.400 . 1 . . . . A 47 LEU CG . 31251 1 568 . 1 . 1 47 47 LEU CD1 C 13 25.392 0.400 . 2 . . . . A 47 LEU CD1 . 31251 1 569 . 1 . 1 47 47 LEU CD2 C 13 24.100 0.400 . 2 . . . . A 47 LEU CD2 . 31251 1 570 . 1 . 1 47 47 LEU N N 15 127.605 0.400 . 1 . . . . A 47 LEU N . 31251 1 571 . 1 . 1 48 48 PHE H H 1 8.651 0.020 . 1 . . . . A 48 PHE H . 31251 1 572 . 1 . 1 48 48 PHE HA H 1 5.042 0.020 . 1 . . . . A 48 PHE HA . 31251 1 573 . 1 . 1 48 48 PHE HB2 H 1 2.560 0.020 . 2 . . . . A 48 PHE HB2 . 31251 1 574 . 1 . 1 48 48 PHE HB3 H 1 3.519 0.020 . 2 . . . . A 48 PHE HB3 . 31251 1 575 . 1 . 1 48 48 PHE HD1 H 1 7.058 0.020 . 1 . . . . A 48 PHE HD1 . 31251 1 576 . 1 . 1 48 48 PHE HD2 H 1 7.058 0.020 . 1 . . . . A 48 PHE HD2 . 31251 1 577 . 1 . 1 48 48 PHE C C 13 173.203 0.400 . 1 . . . . A 48 PHE C . 31251 1 578 . 1 . 1 48 48 PHE CA C 13 54.486 0.400 . 1 . . . . A 48 PHE CA . 31251 1 579 . 1 . 1 48 48 PHE CB C 13 41.092 0.400 . 1 . . . . A 48 PHE CB . 31251 1 580 . 1 . 1 48 48 PHE N N 15 122.454 0.400 . 1 . . . . A 48 PHE N . 31251 1 581 . 1 . 1 49 49 ILE H H 1 7.768 0.020 . 1 . . . . A 49 ILE H . 31251 1 582 . 1 . 1 49 49 ILE HA H 1 5.054 0.020 . 1 . . . . A 49 ILE HA . 31251 1 583 . 1 . 1 49 49 ILE HB H 1 1.446 0.020 . 1 . . . . A 49 ILE HB . 31251 1 584 . 1 . 1 49 49 ILE HG12 H 1 0.254 0.020 . 2 . . . . A 49 ILE HG12 . 31251 1 585 . 1 . 1 49 49 ILE HG13 H 1 1.125 0.020 . 2 . . . . A 49 ILE HG13 . 31251 1 586 . 1 . 1 49 49 ILE HG21 H 1 0.016 0.020 . 1 . . . . A 49 ILE HG21 . 31251 1 587 . 1 . 1 49 49 ILE HG22 H 1 0.016 0.020 . 1 . . . . A 49 ILE HG22 . 31251 1 588 . 1 . 1 49 49 ILE HG23 H 1 0.016 0.020 . 1 . . . . A 49 ILE HG23 . 31251 1 589 . 1 . 1 49 49 ILE HD11 H 1 0.614 0.020 . 1 . . . . A 49 ILE HD11 . 31251 1 590 . 1 . 1 49 49 ILE HD12 H 1 0.614 0.020 . 1 . . . . A 49 ILE HD12 . 31251 1 591 . 1 . 1 49 49 ILE HD13 H 1 0.614 0.020 . 1 . . . . A 49 ILE HD13 . 31251 1 592 . 1 . 1 49 49 ILE C C 13 175.009 0.400 . 1 . . . . A 49 ILE C . 31251 1 593 . 1 . 1 49 49 ILE CA C 13 59.106 0.400 . 1 . . . . A 49 ILE CA . 31251 1 594 . 1 . 1 49 49 ILE CB C 13 41.343 0.400 . 1 . . . . A 49 ILE CB . 31251 1 595 . 1 . 1 49 49 ILE CG1 C 13 27.424 0.400 . 1 . . . . A 49 ILE CG1 . 31251 1 596 . 1 . 1 49 49 ILE CG2 C 13 16.036 0.400 . 1 . . . . A 49 ILE CG2 . 31251 1 597 . 1 . 1 49 49 ILE CD1 C 13 13.689 0.400 . 1 . . . . A 49 ILE CD1 . 31251 1 598 . 1 . 1 49 49 ILE N N 15 118.621 0.400 . 1 . . . . A 49 ILE N . 31251 1 599 . 1 . 1 50 50 LEU H H 1 8.509 0.020 . 1 . . . . A 50 LEU H . 31251 1 600 . 1 . 1 50 50 LEU HA H 1 4.490 0.020 . 1 . . . . A 50 LEU HA . 31251 1 601 . 1 . 1 50 50 LEU HB2 H 1 0.617 0.020 . 2 . . . . A 50 LEU HB2 . 31251 1 602 . 1 . 1 50 50 LEU HB3 H 1 1.586 0.020 . 2 . . . . A 50 LEU HB3 . 31251 1 603 . 1 . 1 50 50 LEU HG H 1 0.973 0.020 . 1 . . . . A 50 LEU HG . 31251 1 604 . 1 . 1 50 50 LEU HD11 H 1 -0.633 0.020 . 2 . . . . A 50 LEU HD11 . 31251 1 605 . 1 . 1 50 50 LEU HD12 H 1 -0.633 0.020 . 2 . . . . A 50 LEU HD12 . 31251 1 606 . 1 . 1 50 50 LEU HD13 H 1 -0.633 0.020 . 2 . . . . A 50 LEU HD13 . 31251 1 607 . 1 . 1 50 50 LEU HD21 H 1 0.530 0.020 . 2 . . . . A 50 LEU HD21 . 31251 1 608 . 1 . 1 50 50 LEU HD22 H 1 0.530 0.020 . 2 . . . . A 50 LEU HD22 . 31251 1 609 . 1 . 1 50 50 LEU HD23 H 1 0.530 0.020 . 2 . . . . A 50 LEU HD23 . 31251 1 610 . 1 . 1 50 50 LEU C C 13 175.041 0.400 . 1 . . . . A 50 LEU C . 31251 1 611 . 1 . 1 50 50 LEU CA C 13 52.749 0.400 . 1 . . . . A 50 LEU CA . 31251 1 612 . 1 . 1 50 50 LEU CB C 13 44.415 0.400 . 1 . . . . A 50 LEU CB . 31251 1 613 . 1 . 1 50 50 LEU CG C 13 26.006 0.400 . 1 . . . . A 50 LEU CG . 31251 1 614 . 1 . 1 50 50 LEU CD1 C 13 20.004 0.400 . 2 . . . . A 50 LEU CD1 . 31251 1 615 . 1 . 1 50 50 LEU CD2 C 13 25.728 0.400 . 2 . . . . A 50 LEU CD2 . 31251 1 616 . 1 . 1 50 50 LEU N N 15 128.427 0.400 . 1 . . . . A 50 LEU N . 31251 1 617 . 1 . 1 51 51 LYS H H 1 8.523 0.020 . 1 . . . . A 51 LYS H . 31251 1 618 . 1 . 1 51 51 LYS HA H 1 4.466 0.020 . 1 . . . . A 51 LYS HA . 31251 1 619 . 1 . 1 51 51 LYS HB2 H 1 1.526 0.020 . 2 . . . . A 51 LYS HB2 . 31251 1 620 . 1 . 1 51 51 LYS HB3 H 1 1.621 0.020 . 2 . . . . A 51 LYS HB3 . 31251 1 621 . 1 . 1 51 51 LYS HG2 H 1 1.120 0.020 . 2 . . . . A 51 LYS HG2 . 31251 1 622 . 1 . 1 51 51 LYS HG3 H 1 1.234 0.020 . 2 . . . . A 51 LYS HG3 . 31251 1 623 . 1 . 1 51 51 LYS HD2 H 1 1.485 0.020 . 2 . . . . A 51 LYS HD2 . 31251 1 624 . 1 . 1 51 51 LYS HD3 H 1 1.486 0.020 . 2 . . . . A 51 LYS HD3 . 31251 1 625 . 1 . 1 51 51 LYS HE2 H 1 2.785 0.020 . 2 . . . . A 51 LYS HE2 . 31251 1 626 . 1 . 1 51 51 LYS HE3 H 1 2.790 0.020 . 2 . . . . A 51 LYS HE3 . 31251 1 627 . 1 . 1 51 51 LYS C C 13 175.535 0.400 . 1 . . . . A 51 LYS C . 31251 1 628 . 1 . 1 51 51 LYS CA C 13 54.923 0.400 . 1 . . . . A 51 LYS CA . 31251 1 629 . 1 . 1 51 51 LYS CB C 13 35.219 0.400 . 1 . . . . A 51 LYS CB . 31251 1 630 . 1 . 1 51 51 LYS CG C 13 24.910 0.400 . 1 . . . . A 51 LYS CG . 31251 1 631 . 1 . 1 51 51 LYS CD C 13 29.148 0.400 . 1 . . . . A 51 LYS CD . 31251 1 632 . 1 . 1 51 51 LYS CE C 13 41.780 0.400 . 1 . . . . A 51 LYS CE . 31251 1 633 . 1 . 1 51 51 LYS N N 15 124.490 0.400 . 1 . . . . A 51 LYS N . 31251 1 634 . 1 . 1 52 52 ASP H H 1 8.674 0.020 . 1 . . . . A 52 ASP H . 31251 1 635 . 1 . 1 52 52 ASP HA H 1 4.573 0.020 . 1 . . . . A 52 ASP HA . 31251 1 636 . 1 . 1 52 52 ASP HB2 H 1 2.656 0.020 . 2 . . . . A 52 ASP HB2 . 31251 1 637 . 1 . 1 52 52 ASP HB3 H 1 2.541 0.020 . 2 . . . . A 52 ASP HB3 . 31251 1 638 . 1 . 1 52 52 ASP CA C 13 52.579 0.400 . 1 . . . . A 52 ASP CA . 31251 1 639 . 1 . 1 52 52 ASP CB C 13 41.512 0.400 . 1 . . . . A 52 ASP CB . 31251 1 640 . 1 . 1 52 52 ASP N N 15 122.254 0.400 . 1 . . . . A 52 ASP N . 31251 1 641 . 1 . 1 53 53 ILE H H 1 7.682 0.020 . 1 . . . . A 53 ILE H . 31251 1 642 . 1 . 1 53 53 ILE HA H 1 3.905 0.020 . 1 . . . . A 53 ILE HA . 31251 1 643 . 1 . 1 53 53 ILE HB H 1 1.833 0.020 . 1 . . . . A 53 ILE HB . 31251 1 644 . 1 . 1 53 53 ILE HG12 H 1 0.971 0.020 . 2 . . . . A 53 ILE HG12 . 31251 1 645 . 1 . 1 53 53 ILE HG13 H 1 0.966 0.020 . 2 . . . . A 53 ILE HG13 . 31251 1 646 . 1 . 1 53 53 ILE HG21 H 1 0.772 0.020 . 1 . . . . A 53 ILE HG21 . 31251 1 647 . 1 . 1 53 53 ILE HG22 H 1 0.772 0.020 . 1 . . . . A 53 ILE HG22 . 31251 1 648 . 1 . 1 53 53 ILE HG23 H 1 0.772 0.020 . 1 . . . . A 53 ILE HG23 . 31251 1 649 . 1 . 1 53 53 ILE HD11 H 1 0.681 0.020 . 1 . . . . A 53 ILE HD11 . 31251 1 650 . 1 . 1 53 53 ILE HD12 H 1 0.681 0.020 . 1 . . . . A 53 ILE HD12 . 31251 1 651 . 1 . 1 53 53 ILE HD13 H 1 0.681 0.020 . 1 . . . . A 53 ILE HD13 . 31251 1 652 . 1 . 1 53 53 ILE CA C 13 63.414 0.400 . 1 . . . . A 53 ILE CA . 31251 1 653 . 1 . 1 53 53 ILE CB C 13 37.034 0.400 . 1 . . . . A 53 ILE CB . 31251 1 654 . 1 . 1 53 53 ILE CG1 C 13 26.946 0.400 . 1 . . . . A 53 ILE CG1 . 31251 1 655 . 1 . 1 53 53 ILE CG2 C 13 17.776 0.400 . 1 . . . . A 53 ILE CG2 . 31251 1 656 . 1 . 1 53 53 ILE CD1 C 13 13.026 0.400 . 1 . . . . A 53 ILE CD1 . 31251 1 657 . 1 . 1 53 53 ILE N N 15 123.282 0.400 . 1 . . . . A 53 ILE N . 31251 1 658 . 1 . 1 54 54 LEU H H 1 7.908 0.020 . 1 . . . . A 54 LEU H . 31251 1 659 . 1 . 1 54 54 LEU HA H 1 4.301 0.020 . 1 . . . . A 54 LEU HA . 31251 1 660 . 1 . 1 54 54 LEU HB2 H 1 1.515 0.020 . 2 . . . . A 54 LEU HB2 . 31251 1 661 . 1 . 1 54 54 LEU HB3 H 1 1.840 0.020 . 2 . . . . A 54 LEU HB3 . 31251 1 662 . 1 . 1 54 54 LEU HG H 1 1.545 0.020 . 1 . . . . A 54 LEU HG . 31251 1 663 . 1 . 1 54 54 LEU HD11 H 1 0.812 0.020 . 2 . . . . A 54 LEU HD11 . 31251 1 664 . 1 . 1 54 54 LEU HD12 H 1 0.812 0.020 . 2 . . . . A 54 LEU HD12 . 31251 1 665 . 1 . 1 54 54 LEU HD13 H 1 0.812 0.020 . 2 . . . . A 54 LEU HD13 . 31251 1 666 . 1 . 1 54 54 LEU HD21 H 1 0.747 0.020 . 2 . . . . A 54 LEU HD21 . 31251 1 667 . 1 . 1 54 54 LEU HD22 H 1 0.747 0.020 . 2 . . . . A 54 LEU HD22 . 31251 1 668 . 1 . 1 54 54 LEU HD23 H 1 0.747 0.020 . 2 . . . . A 54 LEU HD23 . 31251 1 669 . 1 . 1 54 54 LEU C C 13 177.799 0.400 . 1 . . . . A 54 LEU C . 31251 1 670 . 1 . 1 54 54 LEU CA C 13 54.615 0.400 . 1 . . . . A 54 LEU CA . 31251 1 671 . 1 . 1 54 54 LEU CB C 13 42.015 0.400 . 1 . . . . A 54 LEU CB . 31251 1 672 . 1 . 1 54 54 LEU CG C 13 27.074 0.400 . 1 . . . . A 54 LEU CG . 31251 1 673 . 1 . 1 54 54 LEU CD1 C 13 25.079 0.400 . 2 . . . . A 54 LEU CD1 . 31251 1 674 . 1 . 1 54 54 LEU CD2 C 13 21.871 0.400 . 2 . . . . A 54 LEU CD2 . 31251 1 675 . 1 . 1 54 54 LEU N N 15 118.523 0.400 . 1 . . . . A 54 LEU N . 31251 1 676 . 1 . 1 55 55 SER H H 1 7.450 0.020 . 1 . . . . A 55 SER H . 31251 1 677 . 1 . 1 55 55 SER HA H 1 3.872 0.020 . 1 . . . . A 55 SER HA . 31251 1 678 . 1 . 1 55 55 SER HB2 H 1 3.944 0.020 . 2 . . . . A 55 SER HB2 . 31251 1 679 . 1 . 1 55 55 SER HB3 H 1 4.010 0.020 . 2 . . . . A 55 SER HB3 . 31251 1 680 . 1 . 1 55 55 SER CA C 13 60.672 0.400 . 1 . . . . A 55 SER CA . 31251 1 681 . 1 . 1 55 55 SER CB C 13 62.172 0.400 . 1 . . . . A 55 SER CB . 31251 1 682 . 1 . 1 55 55 SER N N 15 112.496 0.400 . 1 . . . . A 55 SER N . 31251 1 683 . 1 . 1 56 56 ILE HA H 1 4.327 0.020 . 1 . . . . A 56 ILE HA . 31251 1 684 . 1 . 1 56 56 ILE HB H 1 1.839 0.020 . 1 . . . . A 56 ILE HB . 31251 1 685 . 1 . 1 56 56 ILE HG12 H 1 1.254 0.020 . 2 . . . . A 56 ILE HG12 . 31251 1 686 . 1 . 1 56 56 ILE HG13 H 1 0.983 0.020 . 2 . . . . A 56 ILE HG13 . 31251 1 687 . 1 . 1 56 56 ILE HG21 H 1 0.817 0.020 . 1 . . . . A 56 ILE HG21 . 31251 1 688 . 1 . 1 56 56 ILE HG22 H 1 0.817 0.020 . 1 . . . . A 56 ILE HG22 . 31251 1 689 . 1 . 1 56 56 ILE HG23 H 1 0.817 0.020 . 1 . . . . A 56 ILE HG23 . 31251 1 690 . 1 . 1 56 56 ILE HD11 H 1 0.785 0.020 . 1 . . . . A 56 ILE HD11 . 31251 1 691 . 1 . 1 56 56 ILE HD12 H 1 0.785 0.020 . 1 . . . . A 56 ILE HD12 . 31251 1 692 . 1 . 1 56 56 ILE HD13 H 1 0.785 0.020 . 1 . . . . A 56 ILE HD13 . 31251 1 693 . 1 . 1 56 56 ILE CA C 13 61.751 0.400 . 1 . . . . A 56 ILE CA . 31251 1 694 . 1 . 1 56 56 ILE CB C 13 40.422 0.400 . 1 . . . . A 56 ILE CB . 31251 1 695 . 1 . 1 56 56 ILE CG1 C 13 26.549 0.400 . 1 . . . . A 56 ILE CG1 . 31251 1 696 . 1 . 1 56 56 ILE CG2 C 13 17.547 0.400 . 1 . . . . A 56 ILE CG2 . 31251 1 697 . 1 . 1 56 56 ILE CD1 C 13 13.422 0.400 . 1 . . . . A 56 ILE CD1 . 31251 1 698 . 1 . 1 57 57 ARG H H 1 8.921 0.020 . 1 . . . . A 57 ARG H . 31251 1 699 . 1 . 1 57 57 ARG HA H 1 4.403 0.020 . 1 . . . . A 57 ARG HA . 31251 1 700 . 1 . 1 57 57 ARG HB2 H 1 1.474 0.020 . 2 . . . . A 57 ARG HB2 . 31251 1 701 . 1 . 1 57 57 ARG HB3 H 1 1.529 0.020 . 2 . . . . A 57 ARG HB3 . 31251 1 702 . 1 . 1 57 57 ARG HG2 H 1 1.283 0.020 . 2 . . . . A 57 ARG HG2 . 31251 1 703 . 1 . 1 57 57 ARG HG3 H 1 1.284 0.020 . 2 . . . . A 57 ARG HG3 . 31251 1 704 . 1 . 1 57 57 ARG HD2 H 1 2.358 0.020 . 2 . . . . A 57 ARG HD2 . 31251 1 705 . 1 . 1 57 57 ARG HD3 H 1 2.380 0.020 . 2 . . . . A 57 ARG HD3 . 31251 1 706 . 1 . 1 57 57 ARG C C 13 178.238 0.400 . 1 . . . . A 57 ARG C . 31251 1 707 . 1 . 1 57 57 ARG CA C 13 56.898 0.400 . 1 . . . . A 57 ARG CA . 31251 1 708 . 1 . 1 57 57 ARG CB C 13 31.954 0.400 . 1 . . . . A 57 ARG CB . 31251 1 709 . 1 . 1 57 57 ARG CG C 13 25.858 0.400 . 1 . . . . A 57 ARG CG . 31251 1 710 . 1 . 1 57 57 ARG CD C 13 43.045 0.400 . 1 . . . . A 57 ARG CD . 31251 1 711 . 1 . 1 57 57 ARG N N 15 121.050 0.400 . 1 . . . . A 57 ARG N . 31251 1 712 . 1 . 1 58 58 GLY H H 1 8.628 0.020 . 1 . . . . A 58 GLY H . 31251 1 713 . 1 . 1 58 58 GLY HA2 H 1 3.963 0.020 . 2 . . . . A 58 GLY HA2 . 31251 1 714 . 1 . 1 58 58 GLY HA3 H 1 5.219 0.020 . 2 . . . . A 58 GLY HA3 . 31251 1 715 . 1 . 1 58 58 GLY C C 13 173.431 0.400 . 1 . . . . A 58 GLY C . 31251 1 716 . 1 . 1 58 58 GLY CA C 13 44.786 0.400 . 1 . . . . A 58 GLY CA . 31251 1 717 . 1 . 1 58 58 GLY N N 15 109.892 0.400 . 1 . . . . A 58 GLY N . 31251 1 718 . 1 . 1 59 59 THR H H 1 7.875 0.020 . 1 . . . . A 59 THR H . 31251 1 719 . 1 . 1 59 59 THR HA H 1 4.471 0.020 . 1 . . . . A 59 THR HA . 31251 1 720 . 1 . 1 59 59 THR HB H 1 3.755 0.020 . 1 . . . . A 59 THR HB . 31251 1 721 . 1 . 1 59 59 THR HG21 H 1 1.105 0.020 . 1 . . . . A 59 THR HG21 . 31251 1 722 . 1 . 1 59 59 THR HG22 H 1 1.105 0.020 . 1 . . . . A 59 THR HG22 . 31251 1 723 . 1 . 1 59 59 THR HG23 H 1 1.105 0.020 . 1 . . . . A 59 THR HG23 . 31251 1 724 . 1 . 1 59 59 THR C C 13 174.496 0.400 . 1 . . . . A 59 THR C . 31251 1 725 . 1 . 1 59 59 THR CA C 13 58.853 0.400 . 1 . . . . A 59 THR CA . 31251 1 726 . 1 . 1 59 59 THR CB C 13 73.543 0.400 . 1 . . . . A 59 THR CB . 31251 1 727 . 1 . 1 59 59 THR CG2 C 13 23.733 0.400 . 1 . . . . A 59 THR CG2 . 31251 1 728 . 1 . 1 59 59 THR N N 15 105.197 0.400 . 1 . . . . A 59 THR N . 31251 1 729 . 1 . 1 60 60 SER H H 1 8.724 0.020 . 1 . . . . A 60 SER H . 31251 1 730 . 1 . 1 60 60 SER HA H 1 4.814 0.020 . 1 . . . . A 60 SER HA . 31251 1 731 . 1 . 1 60 60 SER HB2 H 1 3.406 0.020 . 2 . . . . A 60 SER HB2 . 31251 1 732 . 1 . 1 60 60 SER HB3 H 1 3.890 0.020 . 2 . . . . A 60 SER HB3 . 31251 1 733 . 1 . 1 60 60 SER C C 13 173.210 0.400 . 1 . . . . A 60 SER C . 31251 1 734 . 1 . 1 60 60 SER CA C 13 56.395 0.400 . 1 . . . . A 60 SER CA . 31251 1 735 . 1 . 1 60 60 SER CB C 13 63.696 0.400 . 1 . . . . A 60 SER CB . 31251 1 736 . 1 . 1 60 60 SER N N 15 114.051 0.400 . 1 . . . . A 60 SER N . 31251 1 737 . 1 . 1 61 61 GLY H H 1 8.504 0.020 . 1 . . . . A 61 GLY H . 31251 1 738 . 1 . 1 61 61 GLY HA2 H 1 3.980 0.020 . 2 . . . . A 61 GLY HA2 . 31251 1 739 . 1 . 1 61 61 GLY HA3 H 1 4.313 0.020 . 2 . . . . A 61 GLY HA3 . 31251 1 740 . 1 . 1 61 61 GLY C C 13 171.940 0.400 . 1 . . . . A 61 GLY C . 31251 1 741 . 1 . 1 61 61 GLY CA C 13 46.415 0.400 . 1 . . . . A 61 GLY CA . 31251 1 742 . 1 . 1 61 61 GLY N N 15 115.123 0.400 . 1 . . . . A 61 GLY N . 31251 1 743 . 1 . 1 62 62 TYR H H 1 8.739 0.020 . 1 . . . . A 62 TYR H . 31251 1 744 . 1 . 1 62 62 TYR HA H 1 5.659 0.020 . 1 . . . . A 62 TYR HA . 31251 1 745 . 1 . 1 62 62 TYR HB2 H 1 3.025 0.020 . 2 . . . . A 62 TYR HB2 . 31251 1 746 . 1 . 1 62 62 TYR HB3 H 1 3.029 0.020 . 2 . . . . A 62 TYR HB3 . 31251 1 747 . 1 . 1 62 62 TYR HD1 H 1 6.528 0.020 . 1 . . . . A 62 TYR HD1 . 31251 1 748 . 1 . 1 62 62 TYR HD2 H 1 6.528 0.020 . 1 . . . . A 62 TYR HD2 . 31251 1 749 . 1 . 1 62 62 TYR HE1 H 1 5.956 0.020 . 1 . . . . A 62 TYR HE1 . 31251 1 750 . 1 . 1 62 62 TYR HE2 H 1 5.956 0.020 . 1 . . . . A 62 TYR HE2 . 31251 1 751 . 1 . 1 62 62 TYR C C 13 174.005 0.400 . 1 . . . . A 62 TYR C . 31251 1 752 . 1 . 1 62 62 TYR CA C 13 56.904 0.400 . 1 . . . . A 62 TYR CA . 31251 1 753 . 1 . 1 62 62 TYR CB C 13 41.058 0.400 . 1 . . . . A 62 TYR CB . 31251 1 754 . 1 . 1 62 62 TYR CD1 C 13 133.159 0.400 . 3 . . . . A 62 TYR CD1 . 31251 1 755 . 1 . 1 62 62 TYR CE1 C 13 117.858 0.400 . 3 . . . . A 62 TYR CE1 . 31251 1 756 . 1 . 1 62 62 TYR N N 15 113.520 0.400 . 1 . . . . A 62 TYR N . 31251 1 757 . 1 . 1 63 63 VAL H H 1 8.934 0.020 . 1 . . . . A 63 VAL H . 31251 1 758 . 1 . 1 63 63 VAL HA H 1 4.634 0.020 . 1 . . . . A 63 VAL HA . 31251 1 759 . 1 . 1 63 63 VAL HB H 1 1.932 0.020 . 1 . . . . A 63 VAL HB . 31251 1 760 . 1 . 1 63 63 VAL HG11 H 1 0.601 0.020 . 2 . . . . A 63 VAL HG11 . 31251 1 761 . 1 . 1 63 63 VAL HG12 H 1 0.601 0.020 . 2 . . . . A 63 VAL HG12 . 31251 1 762 . 1 . 1 63 63 VAL HG13 H 1 0.601 0.020 . 2 . . . . A 63 VAL HG13 . 31251 1 763 . 1 . 1 63 63 VAL HG21 H 1 0.880 0.020 . 2 . . . . A 63 VAL HG21 . 31251 1 764 . 1 . 1 63 63 VAL HG22 H 1 0.880 0.020 . 2 . . . . A 63 VAL HG22 . 31251 1 765 . 1 . 1 63 63 VAL HG23 H 1 0.880 0.020 . 2 . . . . A 63 VAL HG23 . 31251 1 766 . 1 . 1 63 63 VAL C C 13 173.985 0.400 . 1 . . . . A 63 VAL C . 31251 1 767 . 1 . 1 63 63 VAL CA C 13 61.304 0.400 . 1 . . . . A 63 VAL CA . 31251 1 768 . 1 . 1 63 63 VAL CB C 13 35.805 0.400 . 1 . . . . A 63 VAL CB . 31251 1 769 . 1 . 1 63 63 VAL CG1 C 13 20.464 0.400 . 2 . . . . A 63 VAL CG1 . 31251 1 770 . 1 . 1 63 63 VAL CG2 C 13 23.247 0.400 . 2 . . . . A 63 VAL CG2 . 31251 1 771 . 1 . 1 63 63 VAL N N 15 117.532 0.400 . 1 . . . . A 63 VAL N . 31251 1 772 . 1 . 1 64 64 GLN H H 1 8.970 0.020 . 1 . . . . A 64 GLN H . 31251 1 773 . 1 . 1 64 64 GLN HA H 1 5.580 0.020 . 1 . . . . A 64 GLN HA . 31251 1 774 . 1 . 1 64 64 GLN HB2 H 1 1.132 0.020 . 2 . . . . A 64 GLN HB2 . 31251 1 775 . 1 . 1 64 64 GLN HB3 H 1 1.842 0.020 . 2 . . . . A 64 GLN HB3 . 31251 1 776 . 1 . 1 64 64 GLN HG2 H 1 2.105 0.020 . 2 . . . . A 64 GLN HG2 . 31251 1 777 . 1 . 1 64 64 GLN HG3 H 1 2.255 0.020 . 2 . . . . A 64 GLN HG3 . 31251 1 778 . 1 . 1 64 64 GLN HE21 H 1 6.817 0.020 . 2 . . . . A 64 GLN HE21 . 31251 1 779 . 1 . 1 64 64 GLN HE22 H 1 7.434 0.020 . 2 . . . . A 64 GLN HE22 . 31251 1 780 . 1 . 1 64 64 GLN C C 13 173.924 0.400 . 1 . . . . A 64 GLN C . 31251 1 781 . 1 . 1 64 64 GLN CA C 13 54.154 0.400 . 1 . . . . A 64 GLN CA . 31251 1 782 . 1 . 1 64 64 GLN CB C 13 33.086 0.400 . 1 . . . . A 64 GLN CB . 31251 1 783 . 1 . 1 64 64 GLN CG C 13 33.720 0.400 . 1 . . . . A 64 GLN CG . 31251 1 784 . 1 . 1 64 64 GLN N N 15 128.456 0.400 . 1 . . . . A 64 GLN N . 31251 1 785 . 1 . 1 64 64 GLN NE2 N 15 111.206 0.400 . 1 . . . . A 64 GLN NE2 . 31251 1 786 . 1 . 1 65 65 TYR H H 1 9.567 0.020 . 1 . . . . A 65 TYR H . 31251 1 787 . 1 . 1 65 65 TYR HA H 1 5.413 0.020 . 1 . . . . A 65 TYR HA . 31251 1 788 . 1 . 1 65 65 TYR HB2 H 1 2.355 0.020 . 2 . . . . A 65 TYR HB2 . 31251 1 789 . 1 . 1 65 65 TYR HB3 H 1 2.585 0.020 . 2 . . . . A 65 TYR HB3 . 31251 1 790 . 1 . 1 65 65 TYR HD1 H 1 6.808 0.020 . 1 . . . . A 65 TYR HD1 . 31251 1 791 . 1 . 1 65 65 TYR HD2 H 1 6.808 0.020 . 1 . . . . A 65 TYR HD2 . 31251 1 792 . 1 . 1 65 65 TYR HE1 H 1 6.873 0.020 . 1 . . . . A 65 TYR HE1 . 31251 1 793 . 1 . 1 65 65 TYR HE2 H 1 6.873 0.020 . 1 . . . . A 65 TYR HE2 . 31251 1 794 . 1 . 1 65 65 TYR C C 13 176.370 0.400 . 1 . . . . A 65 TYR C . 31251 1 795 . 1 . 1 65 65 TYR CA C 13 56.183 0.400 . 1 . . . . A 65 TYR CA . 31251 1 796 . 1 . 1 65 65 TYR CB C 13 41.418 0.400 . 1 . . . . A 65 TYR CB . 31251 1 797 . 1 . 1 65 65 TYR CE1 C 13 117.408 0.400 . 3 . . . . A 65 TYR CE1 . 31251 1 798 . 1 . 1 65 65 TYR N N 15 121.923 0.400 . 1 . . . . A 65 TYR N . 31251 1 799 . 1 . 1 66 66 ARG H H 1 9.709 0.020 . 1 . . . . A 66 ARG H . 31251 1 800 . 1 . 1 66 66 ARG HA H 1 4.748 0.020 . 1 . . . . A 66 ARG HA . 31251 1 801 . 1 . 1 66 66 ARG HB2 H 1 1.730 0.020 . 2 . . . . A 66 ARG HB2 . 31251 1 802 . 1 . 1 66 66 ARG HB3 H 1 1.727 0.020 . 2 . . . . A 66 ARG HB3 . 31251 1 803 . 1 . 1 66 66 ARG HG2 H 1 1.326 0.020 . 2 . . . . A 66 ARG HG2 . 31251 1 804 . 1 . 1 66 66 ARG HG3 H 1 1.634 0.020 . 2 . . . . A 66 ARG HG3 . 31251 1 805 . 1 . 1 66 66 ARG HD2 H 1 2.969 0.020 . 2 . . . . A 66 ARG HD2 . 31251 1 806 . 1 . 1 66 66 ARG HD3 H 1 3.126 0.020 . 2 . . . . A 66 ARG HD3 . 31251 1 807 . 1 . 1 66 66 ARG C C 13 176.059 0.400 . 1 . . . . A 66 ARG C . 31251 1 808 . 1 . 1 66 66 ARG CA C 13 54.839 0.400 . 1 . . . . A 66 ARG CA . 31251 1 809 . 1 . 1 66 66 ARG CB C 13 31.917 0.400 . 1 . . . . A 66 ARG CB . 31251 1 810 . 1 . 1 66 66 ARG CG C 13 27.310 0.400 . 1 . . . . A 66 ARG CG . 31251 1 811 . 1 . 1 66 66 ARG CD C 13 43.277 0.400 . 1 . . . . A 66 ARG CD . 31251 1 812 . 1 . 1 66 66 ARG N N 15 123.615 0.400 . 1 . . . . A 66 ARG N . 31251 1 813 . 1 . 1 67 67 VAL H H 1 8.109 0.020 . 1 . . . . A 67 VAL H . 31251 1 814 . 1 . 1 67 67 VAL HA H 1 3.962 0.020 . 1 . . . . A 67 VAL HA . 31251 1 815 . 1 . 1 67 67 VAL HB H 1 1.111 0.020 . 1 . . . . A 67 VAL HB . 31251 1 816 . 1 . 1 67 67 VAL HG11 H 1 0.071 0.020 . 2 . . . . A 67 VAL HG11 . 31251 1 817 . 1 . 1 67 67 VAL HG12 H 1 0.071 0.020 . 2 . . . . A 67 VAL HG12 . 31251 1 818 . 1 . 1 67 67 VAL HG13 H 1 0.071 0.020 . 2 . . . . A 67 VAL HG13 . 31251 1 819 . 1 . 1 67 67 VAL HG21 H 1 -0.262 0.020 . 2 . . . . A 67 VAL HG21 . 31251 1 820 . 1 . 1 67 67 VAL HG22 H 1 -0.262 0.020 . 2 . . . . A 67 VAL HG22 . 31251 1 821 . 1 . 1 67 67 VAL HG23 H 1 -0.262 0.020 . 2 . . . . A 67 VAL HG23 . 31251 1 822 . 1 . 1 67 67 VAL C C 13 177.177 0.400 . 1 . . . . A 67 VAL C . 31251 1 823 . 1 . 1 67 67 VAL CA C 13 61.643 0.400 . 1 . . . . A 67 VAL CA . 31251 1 824 . 1 . 1 67 67 VAL CB C 13 31.305 0.400 . 1 . . . . A 67 VAL CB . 31251 1 825 . 1 . 1 67 67 VAL CG1 C 13 20.911 0.400 . 2 . . . . A 67 VAL CG1 . 31251 1 826 . 1 . 1 67 67 VAL CG2 C 13 20.841 0.400 . 2 . . . . A 67 VAL CG2 . 31251 1 827 . 1 . 1 67 67 VAL N N 15 128.026 0.400 . 1 . . . . A 67 VAL N . 31251 1 828 . 1 . 1 68 68 GLY H H 1 9.629 0.020 . 1 . . . . A 68 GLY H . 31251 1 829 . 1 . 1 68 68 GLY HA2 H 1 4.026 0.020 . 2 . . . . A 68 GLY HA2 . 31251 1 830 . 1 . 1 68 68 GLY HA3 H 1 4.144 0.020 . 2 . . . . A 68 GLY HA3 . 31251 1 831 . 1 . 1 68 68 GLY CA C 13 46.252 0.400 . 1 . . . . A 68 GLY CA . 31251 1 832 . 1 . 1 68 68 GLY N N 15 118.612 0.400 . 1 . . . . A 68 GLY N . 31251 1 833 . 1 . 1 69 69 ASP HA H 1 4.703 0.020 . 1 . . . . A 69 ASP HA . 31251 1 834 . 1 . 1 69 69 ASP HB2 H 1 2.962 0.020 . 2 . . . . A 69 ASP HB2 . 31251 1 835 . 1 . 1 69 69 ASP HB3 H 1 2.598 0.020 . 2 . . . . A 69 ASP HB3 . 31251 1 836 . 1 . 1 69 69 ASP C C 13 177.373 0.400 . 1 . . . . A 69 ASP C . 31251 1 837 . 1 . 1 69 69 ASP CA C 13 55.146 0.400 . 1 . . . . A 69 ASP CA . 31251 1 838 . 1 . 1 69 69 ASP CB C 13 40.719 0.400 . 1 . . . . A 69 ASP CB . 31251 1 839 . 1 . 1 70 70 GLY H H 1 7.977 0.020 . 1 . . . . A 70 GLY H . 31251 1 840 . 1 . 1 70 70 GLY HA2 H 1 3.850 0.020 . 2 . . . . A 70 GLY HA2 . 31251 1 841 . 1 . 1 70 70 GLY HA3 H 1 4.443 0.020 . 2 . . . . A 70 GLY HA3 . 31251 1 842 . 1 . 1 70 70 GLY CA C 13 43.885 0.400 . 1 . . . . A 70 GLY CA . 31251 1 843 . 1 . 1 70 70 GLY N N 15 106.981 0.400 . 1 . . . . A 70 GLY N . 31251 1 844 . 1 . 1 71 71 PRO HA H 1 4.504 0.020 . 1 . . . . A 71 PRO HA . 31251 1 845 . 1 . 1 71 71 PRO HB2 H 1 2.249 0.020 . 2 . . . . A 71 PRO HB2 . 31251 1 846 . 1 . 1 71 71 PRO HB3 H 1 2.308 0.020 . 2 . . . . A 71 PRO HB3 . 31251 1 847 . 1 . 1 71 71 PRO HG2 H 1 1.739 0.020 . 2 . . . . A 71 PRO HG2 . 31251 1 848 . 1 . 1 71 71 PRO HG3 H 1 1.953 0.020 . 2 . . . . A 71 PRO HG3 . 31251 1 849 . 1 . 1 71 71 PRO HD2 H 1 3.439 0.020 . 2 . . . . A 71 PRO HD2 . 31251 1 850 . 1 . 1 71 71 PRO HD3 H 1 3.640 0.020 . 2 . . . . A 71 PRO HD3 . 31251 1 851 . 1 . 1 71 71 PRO C C 13 177.906 0.400 . 1 . . . . A 71 PRO C . 31251 1 852 . 1 . 1 71 71 PRO CA C 13 62.643 0.400 . 1 . . . . A 71 PRO CA . 31251 1 853 . 1 . 1 71 71 PRO CB C 13 34.005 0.400 . 1 . . . . A 71 PRO CB . 31251 1 854 . 1 . 1 71 71 PRO CG C 13 24.301 0.400 . 1 . . . . A 71 PRO CG . 31251 1 855 . 1 . 1 71 71 PRO CD C 13 50.280 0.400 . 1 . . . . A 71 PRO CD . 31251 1 856 . 1 . 1 72 72 GLY H H 1 8.831 0.020 . 1 . . . . A 72 GLY H . 31251 1 857 . 1 . 1 72 72 GLY HA2 H 1 3.097 0.020 . 2 . . . . A 72 GLY HA2 . 31251 1 858 . 1 . 1 72 72 GLY HA3 H 1 4.280 0.020 . 2 . . . . A 72 GLY HA3 . 31251 1 859 . 1 . 1 72 72 GLY C C 13 173.466 0.400 . 1 . . . . A 72 GLY C . 31251 1 860 . 1 . 1 72 72 GLY CA C 13 47.426 0.400 . 1 . . . . A 72 GLY CA . 31251 1 861 . 1 . 1 72 72 GLY N N 15 114.157 0.400 . 1 . . . . A 72 GLY N . 31251 1 862 . 1 . 1 73 73 TRP H H 1 8.101 0.020 . 1 . . . . A 73 TRP H . 31251 1 863 . 1 . 1 73 73 TRP HA H 1 5.408 0.020 . 1 . . . . A 73 TRP HA . 31251 1 864 . 1 . 1 73 73 TRP HB2 H 1 3.148 0.020 . 2 . . . . A 73 TRP HB2 . 31251 1 865 . 1 . 1 73 73 TRP HB3 H 1 3.169 0.020 . 2 . . . . A 73 TRP HB3 . 31251 1 866 . 1 . 1 73 73 TRP HD1 H 1 7.287 0.020 . 1 . . . . A 73 TRP HD1 . 31251 1 867 . 1 . 1 73 73 TRP HE1 H 1 10.263 0.020 . 1 . . . . A 73 TRP HE1 . 31251 1 868 . 1 . 1 73 73 TRP HE3 H 1 6.799 0.020 . 1 . . . . A 73 TRP HE3 . 31251 1 869 . 1 . 1 73 73 TRP HZ2 H 1 7.165 0.020 . 1 . . . . A 73 TRP HZ2 . 31251 1 870 . 1 . 1 73 73 TRP HZ3 H 1 6.583 0.020 . 1 . . . . A 73 TRP HZ3 . 31251 1 871 . 1 . 1 73 73 TRP HH2 H 1 6.825 0.020 . 1 . . . . A 73 TRP HH2 . 31251 1 872 . 1 . 1 73 73 TRP C C 13 173.677 0.400 . 1 . . . . A 73 TRP C . 31251 1 873 . 1 . 1 73 73 TRP CA C 13 54.264 0.400 . 1 . . . . A 73 TRP CA . 31251 1 874 . 1 . 1 73 73 TRP CB C 13 32.117 0.400 . 1 . . . . A 73 TRP CB . 31251 1 875 . 1 . 1 73 73 TRP CD1 C 13 128.284 0.400 . 1 . . . . A 73 TRP CD1 . 31251 1 876 . 1 . 1 73 73 TRP CE3 C 13 118.908 0.400 . 1 . . . . A 73 TRP CE3 . 31251 1 877 . 1 . 1 73 73 TRP CZ2 C 13 114.033 0.400 . 1 . . . . A 73 TRP CZ2 . 31251 1 878 . 1 . 1 73 73 TRP CZ3 C 13 121.011 0.400 . 1 . . . . A 73 TRP CZ3 . 31251 1 879 . 1 . 1 73 73 TRP CH2 C 13 123.783 0.400 . 1 . . . . A 73 TRP CH2 . 31251 1 880 . 1 . 1 73 73 TRP N N 15 120.529 0.400 . 1 . . . . A 73 TRP N . 31251 1 881 . 1 . 1 73 73 TRP NE1 N 15 129.562 0.400 . 1 . . . . A 73 TRP NE1 . 31251 1 882 . 1 . 1 74 74 VAL H H 1 8.754 0.020 . 1 . . . . A 74 VAL H . 31251 1 883 . 1 . 1 74 74 VAL HA H 1 4.858 0.020 . 1 . . . . A 74 VAL HA . 31251 1 884 . 1 . 1 74 74 VAL HB H 1 2.236 0.020 . 1 . . . . A 74 VAL HB . 31251 1 885 . 1 . 1 74 74 VAL HG11 H 1 0.668 0.020 . 2 . . . . A 74 VAL HG11 . 31251 1 886 . 1 . 1 74 74 VAL HG12 H 1 0.668 0.020 . 2 . . . . A 74 VAL HG12 . 31251 1 887 . 1 . 1 74 74 VAL HG13 H 1 0.668 0.020 . 2 . . . . A 74 VAL HG13 . 31251 1 888 . 1 . 1 74 74 VAL HG21 H 1 0.667 0.020 . 2 . . . . A 74 VAL HG21 . 31251 1 889 . 1 . 1 74 74 VAL HG22 H 1 0.667 0.020 . 2 . . . . A 74 VAL HG22 . 31251 1 890 . 1 . 1 74 74 VAL HG23 H 1 0.667 0.020 . 2 . . . . A 74 VAL HG23 . 31251 1 891 . 1 . 1 74 74 VAL C C 13 174.429 0.400 . 1 . . . . A 74 VAL C . 31251 1 892 . 1 . 1 74 74 VAL CA C 13 58.662 0.400 . 1 . . . . A 74 VAL CA . 31251 1 893 . 1 . 1 74 74 VAL CB C 13 35.863 0.400 . 1 . . . . A 74 VAL CB . 31251 1 894 . 1 . 1 74 74 VAL CG1 C 13 20.307 0.400 . 2 . . . . A 74 VAL CG1 . 31251 1 895 . 1 . 1 74 74 VAL CG2 C 13 23.988 0.400 . 2 . . . . A 74 VAL CG2 . 31251 1 896 . 1 . 1 74 74 VAL N N 15 109.198 0.400 . 1 . . . . A 74 VAL N . 31251 1 897 . 1 . 1 75 75 ARG H H 1 9.731 0.020 . 1 . . . . A 75 ARG H . 31251 1 898 . 1 . 1 75 75 ARG HA H 1 5.603 0.020 . 1 . . . . A 75 ARG HA . 31251 1 899 . 1 . 1 75 75 ARG HB2 H 1 2.102 0.020 . 2 . . . . A 75 ARG HB2 . 31251 1 900 . 1 . 1 75 75 ARG HB3 H 1 1.830 0.020 . 2 . . . . A 75 ARG HB3 . 31251 1 901 . 1 . 1 75 75 ARG HG2 H 1 1.301 0.020 . 2 . . . . A 75 ARG HG2 . 31251 1 902 . 1 . 1 75 75 ARG HG3 H 1 1.501 0.020 . 2 . . . . A 75 ARG HG3 . 31251 1 903 . 1 . 1 75 75 ARG HD2 H 1 2.185 0.020 . 2 . . . . A 75 ARG HD2 . 31251 1 904 . 1 . 1 75 75 ARG HD3 H 1 2.369 0.020 . 2 . . . . A 75 ARG HD3 . 31251 1 905 . 1 . 1 75 75 ARG HE H 1 6.500 0.020 . 1 . . . . A 75 ARG HE . 31251 1 906 . 1 . 1 75 75 ARG C C 13 175.027 0.400 . 1 . . . . A 75 ARG C . 31251 1 907 . 1 . 1 75 75 ARG CA C 13 54.498 0.400 . 1 . . . . A 75 ARG CA . 31251 1 908 . 1 . 1 75 75 ARG CB C 13 34.518 0.400 . 1 . . . . A 75 ARG CB . 31251 1 909 . 1 . 1 75 75 ARG CG C 13 26.850 0.400 . 1 . . . . A 75 ARG CG . 31251 1 910 . 1 . 1 75 75 ARG CD C 13 43.388 0.400 . 1 . . . . A 75 ARG CD . 31251 1 911 . 1 . 1 75 75 ARG N N 15 125.204 0.400 . 1 . . . . A 75 ARG N . 31251 1 912 . 1 . 1 75 75 ARG NE N 15 81.128 0.400 . 1 . . . . A 75 ARG NE . 31251 1 913 . 1 . 1 76 76 VAL H H 1 9.235 0.020 . 1 . . . . A 76 VAL H . 31251 1 914 . 1 . 1 76 76 VAL HA H 1 4.375 0.020 . 1 . . . . A 76 VAL HA . 31251 1 915 . 1 . 1 76 76 VAL HB H 1 1.399 0.020 . 1 . . . . A 76 VAL HB . 31251 1 916 . 1 . 1 76 76 VAL HG11 H 1 0.941 0.020 . 2 . . . . A 76 VAL HG11 . 31251 1 917 . 1 . 1 76 76 VAL HG12 H 1 0.941 0.020 . 2 . . . . A 76 VAL HG12 . 31251 1 918 . 1 . 1 76 76 VAL HG13 H 1 0.941 0.020 . 2 . . . . A 76 VAL HG13 . 31251 1 919 . 1 . 1 76 76 VAL HG21 H 1 -0.156 0.020 . 2 . . . . A 76 VAL HG21 . 31251 1 920 . 1 . 1 76 76 VAL HG22 H 1 -0.156 0.020 . 2 . . . . A 76 VAL HG22 . 31251 1 921 . 1 . 1 76 76 VAL HG23 H 1 -0.156 0.020 . 2 . . . . A 76 VAL HG23 . 31251 1 922 . 1 . 1 76 76 VAL C C 13 175.027 0.400 . 1 . . . . A 76 VAL C . 31251 1 923 . 1 . 1 76 76 VAL CA C 13 59.944 0.400 . 1 . . . . A 76 VAL CA . 31251 1 924 . 1 . 1 76 76 VAL CB C 13 32.319 0.400 . 1 . . . . A 76 VAL CB . 31251 1 925 . 1 . 1 76 76 VAL CG1 C 13 20.508 0.400 . 2 . . . . A 76 VAL CG1 . 31251 1 926 . 1 . 1 76 76 VAL CG2 C 13 21.369 0.400 . 2 . . . . A 76 VAL CG2 . 31251 1 927 . 1 . 1 76 76 VAL N N 15 125.019 0.400 . 1 . . . . A 76 VAL N . 31251 1 928 . 1 . 1 77 77 THR H H 1 8.802 0.020 . 1 . . . . A 77 THR H . 31251 1 929 . 1 . 1 77 77 THR HA H 1 4.825 0.020 . 1 . . . . A 77 THR HA . 31251 1 930 . 1 . 1 77 77 THR HB H 1 3.951 0.020 . 1 . . . . A 77 THR HB . 31251 1 931 . 1 . 1 77 77 THR HG21 H 1 1.169 0.020 . 1 . . . . A 77 THR HG21 . 31251 1 932 . 1 . 1 77 77 THR HG22 H 1 1.169 0.020 . 1 . . . . A 77 THR HG22 . 31251 1 933 . 1 . 1 77 77 THR HG23 H 1 1.169 0.020 . 1 . . . . A 77 THR HG23 . 31251 1 934 . 1 . 1 77 77 THR C C 13 173.574 0.400 . 1 . . . . A 77 THR C . 31251 1 935 . 1 . 1 77 77 THR CA C 13 62.283 0.400 . 1 . . . . A 77 THR CA . 31251 1 936 . 1 . 1 77 77 THR CB C 13 69.558 0.400 . 1 . . . . A 77 THR CB . 31251 1 937 . 1 . 1 77 77 THR CG2 C 13 21.661 0.400 . 1 . . . . A 77 THR CG2 . 31251 1 938 . 1 . 1 77 77 THR N N 15 123.227 0.400 . 1 . . . . A 77 THR N . 31251 1 939 . 1 . 1 78 78 PHE H H 1 7.928 0.020 . 1 . . . . A 78 PHE H . 31251 1 940 . 1 . 1 78 78 PHE HA H 1 5.765 0.020 . 1 . . . . A 78 PHE HA . 31251 1 941 . 1 . 1 78 78 PHE HB2 H 1 3.061 0.020 . 2 . . . . A 78 PHE HB2 . 31251 1 942 . 1 . 1 78 78 PHE HB3 H 1 2.970 0.020 . 2 . . . . A 78 PHE HB3 . 31251 1 943 . 1 . 1 78 78 PHE HD1 H 1 7.052 0.020 . 1 . . . . A 78 PHE HD1 . 31251 1 944 . 1 . 1 78 78 PHE HD2 H 1 7.052 0.020 . 1 . . . . A 78 PHE HD2 . 31251 1 945 . 1 . 1 78 78 PHE HE1 H 1 7.224 0.020 . 1 . . . . A 78 PHE HE1 . 31251 1 946 . 1 . 1 78 78 PHE HE2 H 1 7.224 0.020 . 1 . . . . A 78 PHE HE2 . 31251 1 947 . 1 . 1 78 78 PHE C C 13 174.003 0.400 . 1 . . . . A 78 PHE C . 31251 1 948 . 1 . 1 78 78 PHE CA C 13 53.510 0.400 . 1 . . . . A 78 PHE CA . 31251 1 949 . 1 . 1 78 78 PHE CB C 13 41.447 0.400 . 1 . . . . A 78 PHE CB . 31251 1 950 . 1 . 1 78 78 PHE CD1 C 13 133.159 0.400 . 3 . . . . A 78 PHE CD1 . 31251 1 951 . 1 . 1 78 78 PHE CE1 C 13 129.409 0.400 . 3 . . . . A 78 PHE CE1 . 31251 1 952 . 1 . 1 78 78 PHE N N 15 121.932 0.400 . 1 . . . . A 78 PHE N . 31251 1 953 . 1 . 1 79 79 SER H H 1 8.995 0.020 . 1 . . . . A 79 SER H . 31251 1 954 . 1 . 1 79 79 SER HA H 1 4.821 0.020 . 1 . . . . A 79 SER HA . 31251 1 955 . 1 . 1 79 79 SER HB2 H 1 3.998 0.020 . 2 . . . . A 79 SER HB2 . 31251 1 956 . 1 . 1 79 79 SER HB3 H 1 4.214 0.020 . 2 . . . . A 79 SER HB3 . 31251 1 957 . 1 . 1 79 79 SER C C 13 172.808 0.400 . 1 . . . . A 79 SER C . 31251 1 958 . 1 . 1 79 79 SER CA C 13 57.962 0.400 . 1 . . . . A 79 SER CA . 31251 1 959 . 1 . 1 79 79 SER CB C 13 64.894 0.400 . 1 . . . . A 79 SER CB . 31251 1 960 . 1 . 1 79 79 SER N N 15 112.950 0.400 . 1 . . . . A 79 SER N . 31251 1 961 . 1 . 1 80 80 SER H H 1 9.187 0.020 . 1 . . . . A 80 SER H . 31251 1 962 . 1 . 1 80 80 SER HA H 1 4.638 0.020 . 1 . . . . A 80 SER HA . 31251 1 963 . 1 . 1 80 80 SER HB2 H 1 3.733 0.020 . 2 . . . . A 80 SER HB2 . 31251 1 964 . 1 . 1 80 80 SER HB3 H 1 4.187 0.020 . 2 . . . . A 80 SER HB3 . 31251 1 965 . 1 . 1 80 80 SER C C 13 174.113 0.400 . 1 . . . . A 80 SER C . 31251 1 966 . 1 . 1 80 80 SER CA C 13 57.710 0.400 . 1 . . . . A 80 SER CA . 31251 1 967 . 1 . 1 80 80 SER CB C 13 62.648 0.400 . 1 . . . . A 80 SER CB . 31251 1 968 . 1 . 1 80 80 SER N N 15 118.509 0.400 . 1 . . . . A 80 SER N . 31251 1 969 . 1 . 1 81 81 LEU H H 1 8.846 0.020 . 1 . . . . A 81 LEU H . 31251 1 970 . 1 . 1 81 81 LEU HA H 1 5.024 0.020 . 1 . . . . A 81 LEU HA . 31251 1 971 . 1 . 1 81 81 LEU HB2 H 1 1.708 0.020 . 2 . . . . A 81 LEU HB2 . 31251 1 972 . 1 . 1 81 81 LEU HB3 H 1 1.509 0.020 . 2 . . . . A 81 LEU HB3 . 31251 1 973 . 1 . 1 81 81 LEU HG H 1 1.726 0.020 . 1 . . . . A 81 LEU HG . 31251 1 974 . 1 . 1 81 81 LEU HD11 H 1 0.789 0.020 . 2 . . . . A 81 LEU HD11 . 31251 1 975 . 1 . 1 81 81 LEU HD12 H 1 0.789 0.020 . 2 . . . . A 81 LEU HD12 . 31251 1 976 . 1 . 1 81 81 LEU HD13 H 1 0.789 0.020 . 2 . . . . A 81 LEU HD13 . 31251 1 977 . 1 . 1 81 81 LEU HD21 H 1 0.908 0.020 . 2 . . . . A 81 LEU HD21 . 31251 1 978 . 1 . 1 81 81 LEU HD22 H 1 0.908 0.020 . 2 . . . . A 81 LEU HD22 . 31251 1 979 . 1 . 1 81 81 LEU HD23 H 1 0.908 0.020 . 2 . . . . A 81 LEU HD23 . 31251 1 980 . 1 . 1 81 81 LEU C C 13 179.298 0.400 . 1 . . . . A 81 LEU C . 31251 1 981 . 1 . 1 81 81 LEU CA C 13 53.400 0.400 . 1 . . . . A 81 LEU CA . 31251 1 982 . 1 . 1 81 81 LEU CB C 13 43.513 0.400 . 1 . . . . A 81 LEU CB . 31251 1 983 . 1 . 1 81 81 LEU CG C 13 26.945 0.400 . 1 . . . . A 81 LEU CG . 31251 1 984 . 1 . 1 81 81 LEU CD1 C 13 23.372 0.400 . 2 . . . . A 81 LEU CD1 . 31251 1 985 . 1 . 1 81 81 LEU CD2 C 13 25.828 0.400 . 2 . . . . A 81 LEU CD2 . 31251 1 986 . 1 . 1 81 81 LEU N N 15 124.571 0.400 . 1 . . . . A 81 LEU N . 31251 1 987 . 1 . 1 82 82 VAL H H 1 7.712 0.020 . 1 . . . . A 82 VAL H . 31251 1 988 . 1 . 1 82 82 VAL HA H 1 3.728 0.020 . 1 . . . . A 82 VAL HA . 31251 1 989 . 1 . 1 82 82 VAL HB H 1 1.836 0.020 . 1 . . . . A 82 VAL HB . 31251 1 990 . 1 . 1 82 82 VAL HG11 H 1 0.904 0.020 . 2 . . . . A 82 VAL HG11 . 31251 1 991 . 1 . 1 82 82 VAL HG12 H 1 0.904 0.020 . 2 . . . . A 82 VAL HG12 . 31251 1 992 . 1 . 1 82 82 VAL HG13 H 1 0.904 0.020 . 2 . . . . A 82 VAL HG13 . 31251 1 993 . 1 . 1 82 82 VAL HG21 H 1 0.900 0.020 . 2 . . . . A 82 VAL HG21 . 31251 1 994 . 1 . 1 82 82 VAL HG22 H 1 0.900 0.020 . 2 . . . . A 82 VAL HG22 . 31251 1 995 . 1 . 1 82 82 VAL HG23 H 1 0.900 0.020 . 2 . . . . A 82 VAL HG23 . 31251 1 996 . 1 . 1 82 82 VAL C C 13 176.381 0.400 . 1 . . . . A 82 VAL C . 31251 1 997 . 1 . 1 82 82 VAL CA C 13 63.677 0.400 . 1 . . . . A 82 VAL CA . 31251 1 998 . 1 . 1 82 82 VAL CB C 13 31.680 0.400 . 1 . . . . A 82 VAL CB . 31251 1 999 . 1 . 1 82 82 VAL CG1 C 13 20.112 0.400 . 2 . . . . A 82 VAL CG1 . 31251 1 1000 . 1 . 1 82 82 VAL CG2 C 13 21.844 0.400 . 2 . . . . A 82 VAL CG2 . 31251 1 1001 . 1 . 1 82 82 VAL N N 15 121.121 0.400 . 1 . . . . A 82 VAL N . 31251 1 1002 . 1 . 1 83 83 GLY H H 1 8.835 0.020 . 1 . . . . A 83 GLY H . 31251 1 1003 . 1 . 1 83 83 GLY HA2 H 1 3.722 0.020 . 2 . . . . A 83 GLY HA2 . 31251 1 1004 . 1 . 1 83 83 GLY HA3 H 1 3.975 0.020 . 2 . . . . A 83 GLY HA3 . 31251 1 1005 . 1 . 1 83 83 GLY C C 13 173.356 0.400 . 1 . . . . A 83 GLY C . 31251 1 1006 . 1 . 1 83 83 GLY CA C 13 45.347 0.400 . 1 . . . . A 83 GLY CA . 31251 1 1007 . 1 . 1 83 83 GLY N N 15 114.254 0.400 . 1 . . . . A 83 GLY N . 31251 1 1008 . 1 . 1 84 84 ALA H H 1 7.577 0.020 . 1 . . . . A 84 ALA H . 31251 1 1009 . 1 . 1 84 84 ALA HA H 1 4.704 0.020 . 1 . . . . A 84 ALA HA . 31251 1 1010 . 1 . 1 84 84 ALA HB1 H 1 1.298 0.020 . 1 . . . . A 84 ALA HB1 . 31251 1 1011 . 1 . 1 84 84 ALA HB2 H 1 1.298 0.020 . 1 . . . . A 84 ALA HB2 . 31251 1 1012 . 1 . 1 84 84 ALA HB3 H 1 1.298 0.020 . 1 . . . . A 84 ALA HB3 . 31251 1 1013 . 1 . 1 84 84 ALA C C 13 176.963 0.400 . 1 . . . . A 84 ALA C . 31251 1 1014 . 1 . 1 84 84 ALA CA C 13 50.108 0.400 . 1 . . . . A 84 ALA CA . 31251 1 1015 . 1 . 1 84 84 ALA CB C 13 22.418 0.400 . 1 . . . . A 84 ALA CB . 31251 1 1016 . 1 . 1 84 84 ALA N N 15 122.024 0.400 . 1 . . . . A 84 ALA N . 31251 1 1017 . 1 . 1 85 85 ASP H H 1 8.377 0.020 . 1 . . . . A 85 ASP H . 31251 1 1018 . 1 . 1 85 85 ASP HA H 1 4.529 0.020 . 1 . . . . A 85 ASP HA . 31251 1 1019 . 1 . 1 85 85 ASP HB2 H 1 2.704 0.020 . 2 . . . . A 85 ASP HB2 . 31251 1 1020 . 1 . 1 85 85 ASP HB3 H 1 2.464 0.020 . 2 . . . . A 85 ASP HB3 . 31251 1 1021 . 1 . 1 85 85 ASP C C 13 178.329 0.400 . 1 . . . . A 85 ASP C . 31251 1 1022 . 1 . 1 85 85 ASP CA C 13 54.323 0.400 . 1 . . . . A 85 ASP CA . 31251 1 1023 . 1 . 1 85 85 ASP CB C 13 40.550 0.400 . 1 . . . . A 85 ASP CB . 31251 1 1024 . 1 . 1 85 85 ASP N N 15 120.461 0.400 . 1 . . . . A 85 ASP N . 31251 1 1025 . 1 . 1 86 86 GLU H H 1 8.771 0.020 . 1 . . . . A 86 GLU H . 31251 1 1026 . 1 . 1 86 86 GLU HA H 1 4.603 0.020 . 1 . . . . A 86 GLU HA . 31251 1 1027 . 1 . 1 86 86 GLU HB2 H 1 2.101 0.020 . 2 . . . . A 86 GLU HB2 . 31251 1 1028 . 1 . 1 86 86 GLU HB3 H 1 2.164 0.020 . 2 . . . . A 86 GLU HB3 . 31251 1 1029 . 1 . 1 86 86 GLU HG2 H 1 2.767 0.020 . 2 . . . . A 86 GLU HG2 . 31251 1 1030 . 1 . 1 86 86 GLU HG3 H 1 2.560 0.020 . 2 . . . . A 86 GLU HG3 . 31251 1 1031 . 1 . 1 86 86 GLU C C 13 176.976 0.400 . 1 . . . . A 86 GLU C . 31251 1 1032 . 1 . 1 86 86 GLU CA C 13 56.814 0.400 . 1 . . . . A 86 GLU CA . 31251 1 1033 . 1 . 1 86 86 GLU CB C 13 31.413 0.400 . 1 . . . . A 86 GLU CB . 31251 1 1034 . 1 . 1 86 86 GLU CG C 13 37.891 0.400 . 1 . . . . A 86 GLU CG . 31251 1 1035 . 1 . 1 86 86 GLU N N 15 122.851 0.400 . 1 . . . . A 86 GLU N . 31251 1 1036 . 1 . 1 87 87 VAL H H 1 8.603 0.020 . 1 . . . . A 87 VAL H . 31251 1 1037 . 1 . 1 87 87 VAL HA H 1 4.224 0.020 . 1 . . . . A 87 VAL HA . 31251 1 1038 . 1 . 1 87 87 VAL HB H 1 2.061 0.020 . 1 . . . . A 87 VAL HB . 31251 1 1039 . 1 . 1 87 87 VAL HG11 H 1 0.873 0.020 . 2 . . . . A 87 VAL HG11 . 31251 1 1040 . 1 . 1 87 87 VAL HG12 H 1 0.873 0.020 . 2 . . . . A 87 VAL HG12 . 31251 1 1041 . 1 . 1 87 87 VAL HG13 H 1 0.873 0.020 . 2 . . . . A 87 VAL HG13 . 31251 1 1042 . 1 . 1 87 87 VAL HG21 H 1 0.866 0.020 . 2 . . . . A 87 VAL HG21 . 31251 1 1043 . 1 . 1 87 87 VAL HG22 H 1 0.866 0.020 . 2 . . . . A 87 VAL HG22 . 31251 1 1044 . 1 . 1 87 87 VAL HG23 H 1 0.866 0.020 . 2 . . . . A 87 VAL HG23 . 31251 1 1045 . 1 . 1 87 87 VAL C C 13 175.181 0.400 . 1 . . . . A 87 VAL C . 31251 1 1046 . 1 . 1 87 87 VAL CA C 13 61.347 0.400 . 1 . . . . A 87 VAL CA . 31251 1 1047 . 1 . 1 87 87 VAL CB C 13 35.199 0.400 . 1 . . . . A 87 VAL CB . 31251 1 1048 . 1 . 1 87 87 VAL CG1 C 13 20.449 0.400 . 2 . . . . A 87 VAL CG1 . 31251 1 1049 . 1 . 1 87 87 VAL CG2 C 13 21.155 0.400 . 2 . . . . A 87 VAL CG2 . 31251 1 1050 . 1 . 1 87 87 VAL N N 15 123.298 0.400 . 1 . . . . A 87 VAL N . 31251 1 1051 . 1 . 1 88 88 ALA H H 1 8.497 0.020 . 1 . . . . A 88 ALA H . 31251 1 1052 . 1 . 1 88 88 ALA HA H 1 5.298 0.020 . 1 . . . . A 88 ALA HA . 31251 1 1053 . 1 . 1 88 88 ALA HB1 H 1 1.159 0.020 . 1 . . . . A 88 ALA HB1 . 31251 1 1054 . 1 . 1 88 88 ALA HB2 H 1 1.159 0.020 . 1 . . . . A 88 ALA HB2 . 31251 1 1055 . 1 . 1 88 88 ALA HB3 H 1 1.159 0.020 . 1 . . . . A 88 ALA HB3 . 31251 1 1056 . 1 . 1 88 88 ALA C C 13 175.383 0.400 . 1 . . . . A 88 ALA C . 31251 1 1057 . 1 . 1 88 88 ALA CA C 13 52.331 0.400 . 1 . . . . A 88 ALA CA . 31251 1 1058 . 1 . 1 88 88 ALA CB C 13 18.908 0.400 . 1 . . . . A 88 ALA CB . 31251 1 1059 . 1 . 1 88 88 ALA N N 15 126.205 0.400 . 1 . . . . A 88 ALA N . 31251 1 1060 . 1 . 1 89 89 GLU H H 1 9.365 0.020 . 1 . . . . A 89 GLU H . 31251 1 1061 . 1 . 1 89 89 GLU HA H 1 5.091 0.020 . 1 . . . . A 89 GLU HA . 31251 1 1062 . 1 . 1 89 89 GLU HB2 H 1 2.217 0.020 . 2 . . . . A 89 GLU HB2 . 31251 1 1063 . 1 . 1 89 89 GLU HB3 H 1 1.935 0.020 . 2 . . . . A 89 GLU HB3 . 31251 1 1064 . 1 . 1 89 89 GLU HG2 H 1 2.294 0.020 . 2 . . . . A 89 GLU HG2 . 31251 1 1065 . 1 . 1 89 89 GLU HG3 H 1 2.293 0.020 . 2 . . . . A 89 GLU HG3 . 31251 1 1066 . 1 . 1 89 89 GLU C C 13 176.668 0.400 . 1 . . . . A 89 GLU C . 31251 1 1067 . 1 . 1 89 89 GLU CA C 13 55.135 0.400 . 1 . . . . A 89 GLU CA . 31251 1 1068 . 1 . 1 89 89 GLU CB C 13 34.590 0.400 . 1 . . . . A 89 GLU CB . 31251 1 1069 . 1 . 1 89 89 GLU CG C 13 35.279 0.400 . 1 . . . . A 89 GLU CG . 31251 1 1070 . 1 . 1 89 89 GLU N N 15 121.739 0.400 . 1 . . . . A 89 GLU N . 31251 1 1071 . 1 . 1 90 90 TRP H H 1 9.324 0.020 . 1 . . . . A 90 TRP H . 31251 1 1072 . 1 . 1 90 90 TRP HA H 1 5.953 0.020 . 1 . . . . A 90 TRP HA . 31251 1 1073 . 1 . 1 90 90 TRP HB2 H 1 3.240 0.020 . 2 . . . . A 90 TRP HB2 . 31251 1 1074 . 1 . 1 90 90 TRP HB3 H 1 3.218 0.020 . 2 . . . . A 90 TRP HB3 . 31251 1 1075 . 1 . 1 90 90 TRP HD1 H 1 7.505 0.020 . 1 . . . . A 90 TRP HD1 . 31251 1 1076 . 1 . 1 90 90 TRP HE1 H 1 10.766 0.020 . 1 . . . . A 90 TRP HE1 . 31251 1 1077 . 1 . 1 90 90 TRP HE3 H 1 7.712 0.020 . 1 . . . . A 90 TRP HE3 . 31251 1 1078 . 1 . 1 90 90 TRP HZ2 H 1 7.502 0.020 . 1 . . . . A 90 TRP HZ2 . 31251 1 1079 . 1 . 1 90 90 TRP HZ3 H 1 6.794 0.020 . 1 . . . . A 90 TRP HZ3 . 31251 1 1080 . 1 . 1 90 90 TRP HH2 H 1 6.946 0.020 . 1 . . . . A 90 TRP HH2 . 31251 1 1081 . 1 . 1 90 90 TRP C C 13 178.970 0.400 . 1 . . . . A 90 TRP C . 31251 1 1082 . 1 . 1 90 90 TRP CA C 13 56.970 0.400 . 1 . . . . A 90 TRP CA . 31251 1 1083 . 1 . 1 90 90 TRP CB C 13 33.672 0.400 . 1 . . . . A 90 TRP CB . 31251 1 1084 . 1 . 1 90 90 TRP CD1 C 13 129.034 0.400 . 1 . . . . A 90 TRP CD1 . 31251 1 1085 . 1 . 1 90 90 TRP CE3 C 13 121.908 0.400 . 1 . . . . A 90 TRP CE3 . 31251 1 1086 . 1 . 1 90 90 TRP CZ2 C 13 115.397 0.400 . 1 . . . . A 90 TRP CZ2 . 31251 1 1087 . 1 . 1 90 90 TRP CZ3 C 13 121.871 0.400 . 1 . . . . A 90 TRP CZ3 . 31251 1 1088 . 1 . 1 90 90 TRP CH2 C 13 123.033 0.400 . 1 . . . . A 90 TRP CH2 . 31251 1 1089 . 1 . 1 90 90 TRP N N 15 123.308 0.400 . 1 . . . . A 90 TRP N . 31251 1 1090 . 1 . 1 90 90 TRP NE1 N 15 128.707 0.400 . 1 . . . . A 90 TRP NE1 . 31251 1 1091 . 1 . 1 91 91 SER H H 1 9.214 0.020 . 1 . . . . A 91 SER H . 31251 1 1092 . 1 . 1 91 91 SER HA H 1 4.723 0.020 . 1 . . . . A 91 SER HA . 31251 1 1093 . 1 . 1 91 91 SER HB2 H 1 4.058 0.020 . 2 . . . . A 91 SER HB2 . 31251 1 1094 . 1 . 1 91 91 SER HB3 H 1 4.099 0.020 . 2 . . . . A 91 SER HB3 . 31251 1 1095 . 1 . 1 91 91 SER C C 13 172.793 0.400 . 1 . . . . A 91 SER C . 31251 1 1096 . 1 . 1 91 91 SER CA C 13 58.064 0.400 . 1 . . . . A 91 SER CA . 31251 1 1097 . 1 . 1 91 91 SER CB C 13 65.501 0.400 . 1 . . . . A 91 SER CB . 31251 1 1098 . 1 . 1 91 91 SER N N 15 113.586 0.400 . 1 . . . . A 91 SER N . 31251 1 1099 . 1 . 1 92 92 SER H H 1 8.021 0.020 . 1 . . . . A 92 SER H . 31251 1 1100 . 1 . 1 92 92 SER HA H 1 3.558 0.020 . 1 . . . . A 92 SER HA . 31251 1 1101 . 1 . 1 92 92 SER HB2 H 1 3.718 0.020 . 2 . . . . A 92 SER HB2 . 31251 1 1102 . 1 . 1 92 92 SER HB3 H 1 3.371 0.020 . 2 . . . . A 92 SER HB3 . 31251 1 1103 . 1 . 1 92 92 SER C C 13 172.932 0.400 . 1 . . . . A 92 SER C . 31251 1 1104 . 1 . 1 92 92 SER CA C 13 57.155 0.400 . 1 . . . . A 92 SER CA . 31251 1 1105 . 1 . 1 92 92 SER CB C 13 66.346 0.400 . 1 . . . . A 92 SER CB . 31251 1 1106 . 1 . 1 92 92 SER N N 15 112.922 0.400 . 1 . . . . A 92 SER N . 31251 1 1107 . 1 . 1 93 93 GLY H H 1 6.266 0.020 . 1 . . . . A 93 GLY H . 31251 1 1108 . 1 . 1 93 93 GLY HA2 H 1 3.375 0.020 . 2 . . . . A 93 GLY HA2 . 31251 1 1109 . 1 . 1 93 93 GLY HA3 H 1 3.794 0.020 . 2 . . . . A 93 GLY HA3 . 31251 1 1110 . 1 . 1 93 93 GLY C C 13 170.544 0.400 . 1 . . . . A 93 GLY C . 31251 1 1111 . 1 . 1 93 93 GLY CA C 13 44.927 0.400 . 1 . . . . A 93 GLY CA . 31251 1 1112 . 1 . 1 93 93 GLY N N 15 103.034 0.400 . 1 . . . . A 93 GLY N . 31251 1 1113 . 1 . 1 94 94 ASP H H 1 8.440 0.020 . 1 . . . . A 94 ASP H . 31251 1 1114 . 1 . 1 94 94 ASP HA H 1 4.094 0.020 . 1 . . . . A 94 ASP HA . 31251 1 1115 . 1 . 1 94 94 ASP HB2 H 1 2.353 0.020 . 2 . . . . A 94 ASP HB2 . 31251 1 1116 . 1 . 1 94 94 ASP HB3 H 1 2.697 0.020 . 2 . . . . A 94 ASP HB3 . 31251 1 1117 . 1 . 1 94 94 ASP C C 13 174.464 0.400 . 1 . . . . A 94 ASP C . 31251 1 1118 . 1 . 1 94 94 ASP CA C 13 54.955 0.400 . 1 . . . . A 94 ASP CA . 31251 1 1119 . 1 . 1 94 94 ASP CB C 13 39.561 0.400 . 1 . . . . A 94 ASP CB . 31251 1 1120 . 1 . 1 94 94 ASP N N 15 116.722 0.400 . 1 . . . . A 94 ASP N . 31251 1 1121 . 1 . 1 95 95 LEU H H 1 7.953 0.020 . 1 . . . . A 95 LEU H . 31251 1 1122 . 1 . 1 95 95 LEU HA H 1 3.777 0.020 . 1 . . . . A 95 LEU HA . 31251 1 1123 . 1 . 1 95 95 LEU HB2 H 1 1.675 0.020 . 2 . . . . A 95 LEU HB2 . 31251 1 1124 . 1 . 1 95 95 LEU HB3 H 1 1.052 0.020 . 2 . . . . A 95 LEU HB3 . 31251 1 1125 . 1 . 1 95 95 LEU HG H 1 1.208 0.020 . 1 . . . . A 95 LEU HG . 31251 1 1126 . 1 . 1 95 95 LEU HD11 H 1 0.740 0.020 . 2 . . . . A 95 LEU HD11 . 31251 1 1127 . 1 . 1 95 95 LEU HD12 H 1 0.740 0.020 . 2 . . . . A 95 LEU HD12 . 31251 1 1128 . 1 . 1 95 95 LEU HD13 H 1 0.740 0.020 . 2 . . . . A 95 LEU HD13 . 31251 1 1129 . 1 . 1 95 95 LEU HD21 H 1 0.289 0.020 . 2 . . . . A 95 LEU HD21 . 31251 1 1130 . 1 . 1 95 95 LEU HD22 H 1 0.289 0.020 . 2 . . . . A 95 LEU HD22 . 31251 1 1131 . 1 . 1 95 95 LEU HD23 H 1 0.289 0.020 . 2 . . . . A 95 LEU HD23 . 31251 1 1132 . 1 . 1 95 95 LEU CA C 13 53.290 0.400 . 1 . . . . A 95 LEU CA . 31251 1 1133 . 1 . 1 95 95 LEU CB C 13 40.190 0.400 . 1 . . . . A 95 LEU CB . 31251 1 1134 . 1 . 1 95 95 LEU CG C 13 26.034 0.400 . 1 . . . . A 95 LEU CG . 31251 1 1135 . 1 . 1 95 95 LEU CD1 C 13 24.474 0.400 . 2 . . . . A 95 LEU CD1 . 31251 1 1136 . 1 . 1 95 95 LEU CD2 C 13 21.672 0.400 . 2 . . . . A 95 LEU CD2 . 31251 1 1137 . 1 . 1 95 95 LEU N N 15 114.692 0.400 . 1 . . . . A 95 LEU N . 31251 1 1138 . 1 . 1 96 96 PRO HA H 1 4.478 0.020 . 1 . . . . A 96 PRO HA . 31251 1 1139 . 1 . 1 96 96 PRO HB2 H 1 1.913 0.020 . 2 . . . . A 96 PRO HB2 . 31251 1 1140 . 1 . 1 96 96 PRO HB3 H 1 2.037 0.020 . 2 . . . . A 96 PRO HB3 . 31251 1 1141 . 1 . 1 96 96 PRO HG2 H 1 0.991 0.020 . 2 . . . . A 96 PRO HG2 . 31251 1 1142 . 1 . 1 96 96 PRO HG3 H 1 0.989 0.020 . 2 . . . . A 96 PRO HG3 . 31251 1 1143 . 1 . 1 96 96 PRO HD2 H 1 2.661 0.020 . 2 . . . . A 96 PRO HD2 . 31251 1 1144 . 1 . 1 96 96 PRO HD3 H 1 3.222 0.020 . 2 . . . . A 96 PRO HD3 . 31251 1 1145 . 1 . 1 96 96 PRO C C 13 176.265 0.400 . 1 . . . . A 96 PRO C . 31251 1 1146 . 1 . 1 96 96 PRO CA C 13 61.639 0.400 . 1 . . . . A 96 PRO CA . 31251 1 1147 . 1 . 1 96 96 PRO CB C 13 32.069 0.400 . 1 . . . . A 96 PRO CB . 31251 1 1148 . 1 . 1 96 96 PRO CG C 13 25.326 0.400 . 1 . . . . A 96 PRO CG . 31251 1 1149 . 1 . 1 96 96 PRO CD C 13 49.042 0.400 . 1 . . . . A 96 PRO CD . 31251 1 1150 . 1 . 1 97 97 ASP H H 1 8.281 0.020 . 1 . . . . A 97 ASP H . 31251 1 1151 . 1 . 1 97 97 ASP HA H 1 4.431 0.020 . 1 . . . . A 97 ASP HA . 31251 1 1152 . 1 . 1 97 97 ASP HB2 H 1 2.612 0.020 . 2 . . . . A 97 ASP HB2 . 31251 1 1153 . 1 . 1 97 97 ASP HB3 H 1 2.548 0.020 . 2 . . . . A 97 ASP HB3 . 31251 1 1154 . 1 . 1 97 97 ASP C C 13 178.105 0.400 . 1 . . . . A 97 ASP C . 31251 1 1155 . 1 . 1 97 97 ASP CA C 13 55.044 0.400 . 1 . . . . A 97 ASP CA . 31251 1 1156 . 1 . 1 97 97 ASP CB C 13 40.866 0.400 . 1 . . . . A 97 ASP CB . 31251 1 1157 . 1 . 1 97 97 ASP N N 15 118.581 0.400 . 1 . . . . A 97 ASP N . 31251 1 1158 . 1 . 1 98 98 GLY H H 1 8.751 0.020 . 1 . . . . A 98 GLY H . 31251 1 1159 . 1 . 1 98 98 GLY HA2 H 1 3.811 0.020 . 2 . . . . A 98 GLY HA2 . 31251 1 1160 . 1 . 1 98 98 GLY HA3 H 1 4.097 0.020 . 2 . . . . A 98 GLY HA3 . 31251 1 1161 . 1 . 1 98 98 GLY C C 13 173.616 0.400 . 1 . . . . A 98 GLY C . 31251 1 1162 . 1 . 1 98 98 GLY CA C 13 46.343 0.400 . 1 . . . . A 98 GLY CA . 31251 1 1163 . 1 . 1 98 98 GLY N N 15 110.490 0.400 . 1 . . . . A 98 GLY N . 31251 1 1164 . 1 . 1 99 99 PHE H H 1 7.321 0.020 . 1 . . . . A 99 PHE H . 31251 1 1165 . 1 . 1 99 99 PHE HA H 1 4.706 0.020 . 1 . . . . A 99 PHE HA . 31251 1 1166 . 1 . 1 99 99 PHE HB2 H 1 2.958 0.020 . 2 . . . . A 99 PHE HB2 . 31251 1 1167 . 1 . 1 99 99 PHE HB3 H 1 2.542 0.020 . 2 . . . . A 99 PHE HB3 . 31251 1 1168 . 1 . 1 99 99 PHE HD1 H 1 7.191 0.020 . 1 . . . . A 99 PHE HD1 . 31251 1 1169 . 1 . 1 99 99 PHE HD2 H 1 7.191 0.020 . 1 . . . . A 99 PHE HD2 . 31251 1 1170 . 1 . 1 99 99 PHE HE1 H 1 7.071 0.020 . 1 . . . . A 99 PHE HE1 . 31251 1 1171 . 1 . 1 99 99 PHE HE2 H 1 7.071 0.020 . 1 . . . . A 99 PHE HE2 . 31251 1 1172 . 1 . 1 99 99 PHE HZ H 1 6.753 0.020 . 1 . . . . A 99 PHE HZ . 31251 1 1173 . 1 . 1 99 99 PHE C C 13 173.922 0.400 . 1 . . . . A 99 PHE C . 31251 1 1174 . 1 . 1 99 99 PHE CA C 13 58.233 0.400 . 1 . . . . A 99 PHE CA . 31251 1 1175 . 1 . 1 99 99 PHE CB C 13 41.573 0.400 . 1 . . . . A 99 PHE CB . 31251 1 1176 . 1 . 1 99 99 PHE CD1 C 13 131.817 0.400 . 3 . . . . A 99 PHE CD1 . 31251 1 1177 . 1 . 1 99 99 PHE CE1 C 13 130.974 0.400 . 3 . . . . A 99 PHE CE1 . 31251 1 1178 . 1 . 1 99 99 PHE CZ C 13 128.522 0.400 . 1 . . . . A 99 PHE CZ . 31251 1 1179 . 1 . 1 99 99 PHE N N 15 121.366 0.400 . 1 . . . . A 99 PHE N . 31251 1 1180 . 1 . 1 100 100 VAL H H 1 8.231 0.020 . 1 . . . . A 100 VAL H . 31251 1 1181 . 1 . 1 100 100 VAL HA H 1 3.900 0.020 . 1 . . . . A 100 VAL HA . 31251 1 1182 . 1 . 1 100 100 VAL HB H 1 1.549 0.020 . 1 . . . . A 100 VAL HB . 31251 1 1183 . 1 . 1 100 100 VAL HG11 H 1 0.506 0.020 . 2 . . . . A 100 VAL HG11 . 31251 1 1184 . 1 . 1 100 100 VAL HG12 H 1 0.506 0.020 . 2 . . . . A 100 VAL HG12 . 31251 1 1185 . 1 . 1 100 100 VAL HG13 H 1 0.506 0.020 . 2 . . . . A 100 VAL HG13 . 31251 1 1186 . 1 . 1 100 100 VAL HG21 H 1 0.514 0.020 . 2 . . . . A 100 VAL HG21 . 31251 1 1187 . 1 . 1 100 100 VAL HG22 H 1 0.514 0.020 . 2 . . . . A 100 VAL HG22 . 31251 1 1188 . 1 . 1 100 100 VAL HG23 H 1 0.514 0.020 . 2 . . . . A 100 VAL HG23 . 31251 1 1189 . 1 . 1 100 100 VAL C C 13 173.974 0.400 . 1 . . . . A 100 VAL C . 31251 1 1190 . 1 . 1 100 100 VAL CA C 13 61.060 0.400 . 1 . . . . A 100 VAL CA . 31251 1 1191 . 1 . 1 100 100 VAL CB C 13 34.736 0.400 . 1 . . . . A 100 VAL CB . 31251 1 1192 . 1 . 1 100 100 VAL CG1 C 13 20.512 0.400 . 2 . . . . A 100 VAL CG1 . 31251 1 1193 . 1 . 1 100 100 VAL CG2 C 13 21.023 0.400 . 2 . . . . A 100 VAL CG2 . 31251 1 1194 . 1 . 1 100 100 VAL N N 15 128.583 0.400 . 1 . . . . A 100 VAL N . 31251 1 1195 . 1 . 1 101 101 LEU H H 1 8.113 0.020 . 1 . . . . A 101 LEU H . 31251 1 1196 . 1 . 1 101 101 LEU HA H 1 4.159 0.020 . 1 . . . . A 101 LEU HA . 31251 1 1197 . 1 . 1 101 101 LEU HB2 H 1 -0.261 0.020 . 2 . . . . A 101 LEU HB2 . 31251 1 1198 . 1 . 1 101 101 LEU HB3 H 1 1.204 0.020 . 2 . . . . A 101 LEU HB3 . 31251 1 1199 . 1 . 1 101 101 LEU HG H 1 0.994 0.020 . 1 . . . . A 101 LEU HG . 31251 1 1200 . 1 . 1 101 101 LEU HD11 H 1 -0.485 0.020 . 2 . . . . A 101 LEU HD11 . 31251 1 1201 . 1 . 1 101 101 LEU HD12 H 1 -0.485 0.020 . 2 . . . . A 101 LEU HD12 . 31251 1 1202 . 1 . 1 101 101 LEU HD13 H 1 -0.485 0.020 . 2 . . . . A 101 LEU HD13 . 31251 1 1203 . 1 . 1 101 101 LEU HD21 H 1 0.071 0.020 . 2 . . . . A 101 LEU HD21 . 31251 1 1204 . 1 . 1 101 101 LEU HD22 H 1 0.071 0.020 . 2 . . . . A 101 LEU HD22 . 31251 1 1205 . 1 . 1 101 101 LEU HD23 H 1 0.071 0.020 . 2 . . . . A 101 LEU HD23 . 31251 1 1206 . 1 . 1 101 101 LEU C C 13 177.901 0.400 . 1 . . . . A 101 LEU C . 31251 1 1207 . 1 . 1 101 101 LEU CA C 13 52.962 0.400 . 1 . . . . A 101 LEU CA . 31251 1 1208 . 1 . 1 101 101 LEU CB C 13 39.996 0.400 . 1 . . . . A 101 LEU CB . 31251 1 1209 . 1 . 1 101 101 LEU CG C 13 24.635 0.400 . 1 . . . . A 101 LEU CG . 31251 1 1210 . 1 . 1 101 101 LEU CD1 C 13 21.618 0.400 . 2 . . . . A 101 LEU CD1 . 31251 1 1211 . 1 . 1 101 101 LEU CD2 C 13 24.257 0.400 . 2 . . . . A 101 LEU CD2 . 31251 1 1212 . 1 . 1 101 101 LEU N N 15 124.165 0.400 . 1 . . . . A 101 LEU N . 31251 1 1213 . 1 . 1 102 102 GLN H H 1 8.565 0.020 . 1 . . . . A 102 GLN H . 31251 1 1214 . 1 . 1 102 102 GLN HA H 1 4.335 0.020 . 1 . . . . A 102 GLN HA . 31251 1 1215 . 1 . 1 102 102 GLN HB2 H 1 2.279 0.020 . 2 . . . . A 102 GLN HB2 . 31251 1 1216 . 1 . 1 102 102 GLN HB3 H 1 2.289 0.020 . 2 . . . . A 102 GLN HB3 . 31251 1 1217 . 1 . 1 102 102 GLN HG2 H 1 2.081 0.020 . 2 . . . . A 102 GLN HG2 . 31251 1 1218 . 1 . 1 102 102 GLN HG3 H 1 2.353 0.020 . 2 . . . . A 102 GLN HG3 . 31251 1 1219 . 1 . 1 102 102 GLN HE21 H 1 7.092 0.020 . 2 . . . . A 102 GLN HE21 . 31251 1 1220 . 1 . 1 102 102 GLN HE22 H 1 7.287 0.020 . 2 . . . . A 102 GLN HE22 . 31251 1 1221 . 1 . 1 102 102 GLN C C 13 176.719 0.400 . 1 . . . . A 102 GLN C . 31251 1 1222 . 1 . 1 102 102 GLN CA C 13 53.615 0.400 . 1 . . . . A 102 GLN CA . 31251 1 1223 . 1 . 1 102 102 GLN CB C 13 28.115 0.400 . 1 . . . . A 102 GLN CB . 31251 1 1224 . 1 . 1 102 102 GLN CG C 13 33.002 0.400 . 1 . . . . A 102 GLN CG . 31251 1 1225 . 1 . 1 102 102 GLN N N 15 122.553 0.400 . 1 . . . . A 102 GLN N . 31251 1 1226 . 1 . 1 102 102 GLN NE2 N 15 115.581 0.400 . 1 . . . . A 102 GLN NE2 . 31251 1 1227 . 1 . 1 103 103 LYS H H 1 8.725 0.020 . 1 . . . . A 103 LYS H . 31251 1 1228 . 1 . 1 103 103 LYS HA H 1 4.674 0.020 . 1 . . . . A 103 LYS HA . 31251 1 1229 . 1 . 1 103 103 LYS HB2 H 1 1.819 0.020 . 2 . . . . A 103 LYS HB2 . 31251 1 1230 . 1 . 1 103 103 LYS HB3 H 1 1.817 0.020 . 2 . . . . A 103 LYS HB3 . 31251 1 1231 . 1 . 1 103 103 LYS HG2 H 1 1.659 0.020 . 2 . . . . A 103 LYS HG2 . 31251 1 1232 . 1 . 1 103 103 LYS HG3 H 1 1.655 0.020 . 2 . . . . A 103 LYS HG3 . 31251 1 1233 . 1 . 1 103 103 LYS HD2 H 1 1.774 0.020 . 2 . . . . A 103 LYS HD2 . 31251 1 1234 . 1 . 1 103 103 LYS HD3 H 1 1.772 0.020 . 2 . . . . A 103 LYS HD3 . 31251 1 1235 . 1 . 1 103 103 LYS HE2 H 1 3.075 0.020 . 2 . . . . A 103 LYS HE2 . 31251 1 1236 . 1 . 1 103 103 LYS HE3 H 1 3.080 0.020 . 2 . . . . A 103 LYS HE3 . 31251 1 1237 . 1 . 1 103 103 LYS CA C 13 55.298 0.400 . 1 . . . . A 103 LYS CA . 31251 1 1238 . 1 . 1 103 103 LYS CB C 13 31.661 0.400 . 1 . . . . A 103 LYS CB . 31251 1 1239 . 1 . 1 103 103 LYS CG C 13 24.518 0.400 . 1 . . . . A 103 LYS CG . 31251 1 1240 . 1 . 1 103 103 LYS CD C 13 29.278 0.400 . 1 . . . . A 103 LYS CD . 31251 1 1241 . 1 . 1 103 103 LYS CE C 13 42.051 0.400 . 1 . . . . A 103 LYS CE . 31251 1 1242 . 1 . 1 103 103 LYS N N 15 123.825 0.400 . 1 . . . . A 103 LYS N . 31251 1 1243 . 1 . 1 104 104 PRO HA H 1 4.171 0.020 . 1 . . . . A 104 PRO HA . 31251 1 1244 . 1 . 1 104 104 PRO HB2 H 1 0.700 0.020 . 2 . . . . A 104 PRO HB2 . 31251 1 1245 . 1 . 1 104 104 PRO HB3 H 1 1.244 0.020 . 2 . . . . A 104 PRO HB3 . 31251 1 1246 . 1 . 1 104 104 PRO HG2 H 1 1.450 0.020 . 2 . . . . A 104 PRO HG2 . 31251 1 1247 . 1 . 1 104 104 PRO HG3 H 1 2.000 0.020 . 2 . . . . A 104 PRO HG3 . 31251 1 1248 . 1 . 1 104 104 PRO HD2 H 1 3.709 0.020 . 2 . . . . A 104 PRO HD2 . 31251 1 1249 . 1 . 1 104 104 PRO HD3 H 1 4.436 0.020 . 2 . . . . A 104 PRO HD3 . 31251 1 1250 . 1 . 1 104 104 PRO C C 13 176.448 0.400 . 1 . . . . A 104 PRO C . 31251 1 1251 . 1 . 1 104 104 PRO CA C 13 62.803 0.400 . 1 . . . . A 104 PRO CA . 31251 1 1252 . 1 . 1 104 104 PRO CB C 13 31.024 0.400 . 1 . . . . A 104 PRO CB . 31251 1 1253 . 1 . 1 104 104 PRO CG C 13 29.014 0.400 . 1 . . . . A 104 PRO CG . 31251 1 1254 . 1 . 1 104 104 PRO CD C 13 51.217 0.400 . 1 . . . . A 104 PRO CD . 31251 1 1255 . 1 . 1 105 105 VAL H H 1 8.367 0.020 . 1 . . . . A 105 VAL H . 31251 1 1256 . 1 . 1 105 105 VAL HA H 1 4.143 0.020 . 1 . . . . A 105 VAL HA . 31251 1 1257 . 1 . 1 105 105 VAL HB H 1 1.790 0.020 . 1 . . . . A 105 VAL HB . 31251 1 1258 . 1 . 1 105 105 VAL HG11 H 1 0.757 0.020 . 2 . . . . A 105 VAL HG11 . 31251 1 1259 . 1 . 1 105 105 VAL HG12 H 1 0.757 0.020 . 2 . . . . A 105 VAL HG12 . 31251 1 1260 . 1 . 1 105 105 VAL HG13 H 1 0.757 0.020 . 2 . . . . A 105 VAL HG13 . 31251 1 1261 . 1 . 1 105 105 VAL HG21 H 1 0.896 0.020 . 2 . . . . A 105 VAL HG21 . 31251 1 1262 . 1 . 1 105 105 VAL HG22 H 1 0.896 0.020 . 2 . . . . A 105 VAL HG22 . 31251 1 1263 . 1 . 1 105 105 VAL HG23 H 1 0.896 0.020 . 2 . . . . A 105 VAL HG23 . 31251 1 1264 . 1 . 1 105 105 VAL C C 13 176.297 0.400 . 1 . . . . A 105 VAL C . 31251 1 1265 . 1 . 1 105 105 VAL CA C 13 60.812 0.400 . 1 . . . . A 105 VAL CA . 31251 1 1266 . 1 . 1 105 105 VAL CB C 13 34.432 0.400 . 1 . . . . A 105 VAL CB . 31251 1 1267 . 1 . 1 105 105 VAL CG1 C 13 20.852 0.400 . 2 . . . . A 105 VAL CG1 . 31251 1 1268 . 1 . 1 105 105 VAL CG2 C 13 20.936 0.400 . 2 . . . . A 105 VAL CG2 . 31251 1 1269 . 1 . 1 105 105 VAL N N 15 124.054 0.400 . 1 . . . . A 105 VAL N . 31251 1 1270 . 1 . 1 106 106 ARG H H 1 8.951 0.020 . 1 . . . . A 106 ARG H . 31251 1 1271 . 1 . 1 106 106 ARG HA H 1 4.836 0.020 . 1 . . . . A 106 ARG HA . 31251 1 1272 . 1 . 1 106 106 ARG HB2 H 1 1.794 0.020 . 2 . . . . A 106 ARG HB2 . 31251 1 1273 . 1 . 1 106 106 ARG HB3 H 1 1.793 0.020 . 2 . . . . A 106 ARG HB3 . 31251 1 1274 . 1 . 1 106 106 ARG HG2 H 1 1.664 0.020 . 2 . . . . A 106 ARG HG2 . 31251 1 1275 . 1 . 1 106 106 ARG HG3 H 1 1.376 0.020 . 2 . . . . A 106 ARG HG3 . 31251 1 1276 . 1 . 1 106 106 ARG HD2 H 1 3.140 0.020 . 2 . . . . A 106 ARG HD2 . 31251 1 1277 . 1 . 1 106 106 ARG HD3 H 1 3.105 0.020 . 2 . . . . A 106 ARG HD3 . 31251 1 1278 . 1 . 1 106 106 ARG C C 13 177.097 0.400 . 1 . . . . A 106 ARG C . 31251 1 1279 . 1 . 1 106 106 ARG CA C 13 54.693 0.400 . 1 . . . . A 106 ARG CA . 31251 1 1280 . 1 . 1 106 106 ARG CB C 13 29.358 0.400 . 1 . . . . A 106 ARG CB . 31251 1 1281 . 1 . 1 106 106 ARG CG C 13 27.310 0.400 . 1 . . . . A 106 ARG CG . 31251 1 1282 . 1 . 1 106 106 ARG CD C 13 43.100 0.400 . 1 . . . . A 106 ARG CD . 31251 1 1283 . 1 . 1 106 106 ARG N N 15 126.389 0.400 . 1 . . . . A 106 ARG N . 31251 1 1284 . 1 . 1 107 107 THR H H 1 8.692 0.020 . 1 . . . . A 107 THR H . 31251 1 1285 . 1 . 1 107 107 THR HA H 1 4.332 0.020 . 1 . . . . A 107 THR HA . 31251 1 1286 . 1 . 1 107 107 THR HB H 1 4.265 0.020 . 1 . . . . A 107 THR HB . 31251 1 1287 . 1 . 1 107 107 THR HG21 H 1 0.940 0.020 . 1 . . . . A 107 THR HG21 . 31251 1 1288 . 1 . 1 107 107 THR HG22 H 1 0.940 0.020 . 1 . . . . A 107 THR HG22 . 31251 1 1289 . 1 . 1 107 107 THR HG23 H 1 0.940 0.020 . 1 . . . . A 107 THR HG23 . 31251 1 1290 . 1 . 1 107 107 THR C C 13 174.827 0.400 . 1 . . . . A 107 THR C . 31251 1 1291 . 1 . 1 107 107 THR CA C 13 61.463 0.400 . 1 . . . . A 107 THR CA . 31251 1 1292 . 1 . 1 107 107 THR CB C 13 68.314 0.400 . 1 . . . . A 107 THR CB . 31251 1 1293 . 1 . 1 107 107 THR CG2 C 13 21.286 0.400 . 1 . . . . A 107 THR CG2 . 31251 1 1294 . 1 . 1 107 107 THR N N 15 116.412 0.400 . 1 . . . . A 107 THR N . 31251 1 1295 . 1 . 1 108 108 GLY H H 1 7.902 0.020 . 1 . . . . A 108 GLY H . 31251 1 1296 . 1 . 1 108 108 GLY HA2 H 1 3.830 0.020 . 2 . . . . A 108 GLY HA2 . 31251 1 1297 . 1 . 1 108 108 GLY HA3 H 1 4.223 0.020 . 2 . . . . A 108 GLY HA3 . 31251 1 1298 . 1 . 1 108 108 GLY C C 13 171.886 0.400 . 1 . . . . A 108 GLY C . 31251 1 1299 . 1 . 1 108 108 GLY CA C 13 45.353 0.400 . 1 . . . . A 108 GLY CA . 31251 1 1300 . 1 . 1 108 108 GLY N N 15 110.011 0.400 . 1 . . . . A 108 GLY N . 31251 1 1301 . 1 . 1 109 109 SER H H 1 8.042 0.020 . 1 . . . . A 109 SER H . 31251 1 1302 . 1 . 1 109 109 SER HA H 1 4.886 0.020 . 1 . . . . A 109 SER HA . 31251 1 1303 . 1 . 1 109 109 SER HB2 H 1 3.640 0.020 . 2 . . . . A 109 SER HB2 . 31251 1 1304 . 1 . 1 109 109 SER HB3 H 1 3.411 0.020 . 2 . . . . A 109 SER HB3 . 31251 1 1305 . 1 . 1 109 109 SER C C 13 174.676 0.400 . 1 . . . . A 109 SER C . 31251 1 1306 . 1 . 1 109 109 SER CA C 13 56.226 0.400 . 1 . . . . A 109 SER CA . 31251 1 1307 . 1 . 1 109 109 SER CB C 13 65.481 0.400 . 1 . . . . A 109 SER CB . 31251 1 1308 . 1 . 1 109 109 SER N N 15 118.076 0.400 . 1 . . . . A 109 SER N . 31251 1 1309 . 1 . 1 110 110 ARG H H 1 9.628 0.020 . 1 . . . . A 110 ARG H . 31251 1 1310 . 1 . 1 110 110 ARG HA H 1 3.906 0.020 . 1 . . . . A 110 ARG HA . 31251 1 1311 . 1 . 1 110 110 ARG HB2 H 1 1.410 0.020 . 2 . . . . A 110 ARG HB2 . 31251 1 1312 . 1 . 1 110 110 ARG HB3 H 1 2.106 0.020 . 2 . . . . A 110 ARG HB3 . 31251 1 1313 . 1 . 1 110 110 ARG HG2 H 1 1.622 0.020 . 2 . . . . A 110 ARG HG2 . 31251 1 1314 . 1 . 1 110 110 ARG HG3 H 1 1.623 0.020 . 2 . . . . A 110 ARG HG3 . 31251 1 1315 . 1 . 1 110 110 ARG HD2 H 1 2.890 0.020 . 2 . . . . A 110 ARG HD2 . 31251 1 1316 . 1 . 1 110 110 ARG HD3 H 1 3.081 0.020 . 2 . . . . A 110 ARG HD3 . 31251 1 1317 . 1 . 1 110 110 ARG CA C 13 55.757 0.400 . 1 . . . . A 110 ARG CA . 31251 1 1318 . 1 . 1 110 110 ARG CB C 13 28.061 0.400 . 1 . . . . A 110 ARG CB . 31251 1 1319 . 1 . 1 110 110 ARG CG C 13 26.273 0.400 . 1 . . . . A 110 ARG CG . 31251 1 1320 . 1 . 1 110 110 ARG CD C 13 43.235 0.400 . 1 . . . . A 110 ARG CD . 31251 1 1321 . 1 . 1 110 110 ARG N N 15 121.498 0.400 . 1 . . . . A 110 ARG N . 31251 1 1322 . 1 . 1 111 111 PRO HA H 1 4.522 0.020 . 1 . . . . A 111 PRO HA . 31251 1 1323 . 1 . 1 111 111 PRO HB2 H 1 1.767 0.020 . 2 . . . . A 111 PRO HB2 . 31251 1 1324 . 1 . 1 111 111 PRO HB3 H 1 2.135 0.020 . 2 . . . . A 111 PRO HB3 . 31251 1 1325 . 1 . 1 111 111 PRO HG2 H 1 1.365 0.020 . 2 . . . . A 111 PRO HG2 . 31251 1 1326 . 1 . 1 111 111 PRO HG3 H 1 1.729 0.020 . 2 . . . . A 111 PRO HG3 . 31251 1 1327 . 1 . 1 111 111 PRO HD2 H 1 3.503 0.020 . 2 . . . . A 111 PRO HD2 . 31251 1 1328 . 1 . 1 111 111 PRO HD3 H 1 3.508 0.020 . 2 . . . . A 111 PRO HD3 . 31251 1 1329 . 1 . 1 111 111 PRO CA C 13 63.061 0.400 . 1 . . . . A 111 PRO CA . 31251 1 1330 . 1 . 1 111 111 PRO CB C 13 35.144 0.400 . 1 . . . . A 111 PRO CB . 31251 1 1331 . 1 . 1 111 111 PRO CG C 13 24.323 0.400 . 1 . . . . A 111 PRO CG . 31251 1 1332 . 1 . 1 111 111 PRO CD C 13 51.381 0.400 . 1 . . . . A 111 PRO CD . 31251 1 1333 . 1 . 1 112 112 LEU H H 1 7.485 0.020 . 1 . . . . A 112 LEU H . 31251 1 1334 . 1 . 1 112 112 LEU HA H 1 4.078 0.020 . 1 . . . . A 112 LEU HA . 31251 1 1335 . 1 . 1 112 112 LEU HB2 H 1 1.743 0.020 . 2 . . . . A 112 LEU HB2 . 31251 1 1336 . 1 . 1 112 112 LEU HB3 H 1 2.031 0.020 . 2 . . . . A 112 LEU HB3 . 31251 1 1337 . 1 . 1 112 112 LEU HG H 1 0.956 0.020 . 1 . . . . A 112 LEU HG . 31251 1 1338 . 1 . 1 112 112 LEU HD11 H 1 0.923 0.020 . 2 . . . . A 112 LEU HD11 . 31251 1 1339 . 1 . 1 112 112 LEU HD12 H 1 0.923 0.020 . 2 . . . . A 112 LEU HD12 . 31251 1 1340 . 1 . 1 112 112 LEU HD13 H 1 0.923 0.020 . 2 . . . . A 112 LEU HD13 . 31251 1 1341 . 1 . 1 112 112 LEU HD21 H 1 1.154 0.020 . 2 . . . . A 112 LEU HD21 . 31251 1 1342 . 1 . 1 112 112 LEU HD22 H 1 1.154 0.020 . 2 . . . . A 112 LEU HD22 . 31251 1 1343 . 1 . 1 112 112 LEU HD23 H 1 1.154 0.020 . 2 . . . . A 112 LEU HD23 . 31251 1 1344 . 1 . 1 112 112 LEU C C 13 176.289 0.400 . 1 . . . . A 112 LEU C . 31251 1 1345 . 1 . 1 112 112 LEU CA C 13 55.854 0.400 . 1 . . . . A 112 LEU CA . 31251 1 1346 . 1 . 1 112 112 LEU CB C 13 42.490 0.400 . 1 . . . . A 112 LEU CB . 31251 1 1347 . 1 . 1 112 112 LEU CG C 13 26.770 0.400 . 1 . . . . A 112 LEU CG . 31251 1 1348 . 1 . 1 112 112 LEU CD1 C 13 23.748 0.400 . 2 . . . . A 112 LEU CD1 . 31251 1 1349 . 1 . 1 112 112 LEU CD2 C 13 26.781 0.400 . 2 . . . . A 112 LEU CD2 . 31251 1 1350 . 1 . 1 112 112 LEU N N 15 122.113 0.400 . 1 . . . . A 112 LEU N . 31251 1 1351 . 1 . 1 113 113 GLN H H 1 7.667 0.020 . 1 . . . . A 113 GLN H . 31251 1 1352 . 1 . 1 113 113 GLN HA H 1 5.594 0.020 . 1 . . . . A 113 GLN HA . 31251 1 1353 . 1 . 1 113 113 GLN HB2 H 1 1.664 0.020 . 2 . . . . A 113 GLN HB2 . 31251 1 1354 . 1 . 1 113 113 GLN HB3 H 1 1.640 0.020 . 2 . . . . A 113 GLN HB3 . 31251 1 1355 . 1 . 1 113 113 GLN HG2 H 1 1.675 0.020 . 2 . . . . A 113 GLN HG2 . 31251 1 1356 . 1 . 1 113 113 GLN HG3 H 1 1.924 0.020 . 2 . . . . A 113 GLN HG3 . 31251 1 1357 . 1 . 1 113 113 GLN HE21 H 1 6.497 0.020 . 2 . . . . A 113 GLN HE21 . 31251 1 1358 . 1 . 1 113 113 GLN HE22 H 1 7.647 0.020 . 2 . . . . A 113 GLN HE22 . 31251 1 1359 . 1 . 1 113 113 GLN C C 13 175.107 0.400 . 1 . . . . A 113 GLN C . 31251 1 1360 . 1 . 1 113 113 GLN CA C 13 54.014 0.400 . 1 . . . . A 113 GLN CA . 31251 1 1361 . 1 . 1 113 113 GLN CB C 13 31.289 0.400 . 1 . . . . A 113 GLN CB . 31251 1 1362 . 1 . 1 113 113 GLN CG C 13 33.602 0.400 . 1 . . . . A 113 GLN CG . 31251 1 1363 . 1 . 1 113 113 GLN N N 15 125.672 0.400 . 1 . . . . A 113 GLN N . 31251 1 1364 . 1 . 1 113 113 GLN NE2 N 15 113.394 0.400 . 1 . . . . A 113 GLN NE2 . 31251 1 1365 . 1 . 1 114 114 ALA H H 1 8.237 0.020 . 1 . . . . A 114 ALA H . 31251 1 1366 . 1 . 1 114 114 ALA HA H 1 5.386 0.020 . 1 . . . . A 114 ALA HA . 31251 1 1367 . 1 . 1 114 114 ALA HB1 H 1 0.965 0.020 . 1 . . . . A 114 ALA HB1 . 31251 1 1368 . 1 . 1 114 114 ALA HB2 H 1 0.965 0.020 . 1 . . . . A 114 ALA HB2 . 31251 1 1369 . 1 . 1 114 114 ALA HB3 H 1 0.965 0.020 . 1 . . . . A 114 ALA HB3 . 31251 1 1370 . 1 . 1 114 114 ALA C C 13 175.410 0.400 . 1 . . . . A 114 ALA C . 31251 1 1371 . 1 . 1 114 114 ALA CA C 13 50.425 0.400 . 1 . . . . A 114 ALA CA . 31251 1 1372 . 1 . 1 114 114 ALA CB C 13 22.078 0.400 . 1 . . . . A 114 ALA CB . 31251 1 1373 . 1 . 1 114 114 ALA N N 15 124.837 0.400 . 1 . . . . A 114 ALA N . 31251 1 1374 . 1 . 1 115 115 THR H H 1 9.023 0.020 . 1 . . . . A 115 THR H . 31251 1 1375 . 1 . 1 115 115 THR HA H 1 5.134 0.020 . 1 . . . . A 115 THR HA . 31251 1 1376 . 1 . 1 115 115 THR HB H 1 3.814 0.020 . 1 . . . . A 115 THR HB . 31251 1 1377 . 1 . 1 115 115 THR HG21 H 1 0.904 0.020 . 1 . . . . A 115 THR HG21 . 31251 1 1378 . 1 . 1 115 115 THR HG22 H 1 0.904 0.020 . 1 . . . . A 115 THR HG22 . 31251 1 1379 . 1 . 1 115 115 THR HG23 H 1 0.904 0.020 . 1 . . . . A 115 THR HG23 . 31251 1 1380 . 1 . 1 115 115 THR C C 13 173.823 0.400 . 1 . . . . A 115 THR C . 31251 1 1381 . 1 . 1 115 115 THR CA C 13 61.050 0.400 . 1 . . . . A 115 THR CA . 31251 1 1382 . 1 . 1 115 115 THR CB C 13 70.912 0.400 . 1 . . . . A 115 THR CB . 31251 1 1383 . 1 . 1 115 115 THR CG2 C 13 21.579 0.400 . 1 . . . . A 115 THR CG2 . 31251 1 1384 . 1 . 1 115 115 THR N N 15 116.799 0.400 . 1 . . . . A 115 THR N . 31251 1 1385 . 1 . 1 116 116 PHE H H 1 9.506 0.020 . 1 . . . . A 116 PHE H . 31251 1 1386 . 1 . 1 116 116 PHE HA H 1 4.216 0.020 . 1 . . . . A 116 PHE HA . 31251 1 1387 . 1 . 1 116 116 PHE HB2 H 1 2.232 0.020 . 2 . . . . A 116 PHE HB2 . 31251 1 1388 . 1 . 1 116 116 PHE HB3 H 1 2.650 0.020 . 2 . . . . A 116 PHE HB3 . 31251 1 1389 . 1 . 1 116 116 PHE HD1 H 1 5.983 0.020 . 1 . . . . A 116 PHE HD1 . 31251 1 1390 . 1 . 1 116 116 PHE HD2 H 1 5.983 0.020 . 1 . . . . A 116 PHE HD2 . 31251 1 1391 . 1 . 1 116 116 PHE HE1 H 1 6.711 0.020 . 1 . . . . A 116 PHE HE1 . 31251 1 1392 . 1 . 1 116 116 PHE HE2 H 1 6.711 0.020 . 1 . . . . A 116 PHE HE2 . 31251 1 1393 . 1 . 1 116 116 PHE HZ H 1 6.923 0.020 . 1 . . . . A 116 PHE HZ . 31251 1 1394 . 1 . 1 116 116 PHE C C 13 173.762 0.400 . 1 . . . . A 116 PHE C . 31251 1 1395 . 1 . 1 116 116 PHE CA C 13 56.893 0.400 . 1 . . . . A 116 PHE CA . 31251 1 1396 . 1 . 1 116 116 PHE CB C 13 39.543 0.400 . 1 . . . . A 116 PHE CB . 31251 1 1397 . 1 . 1 116 116 PHE CD1 C 13 132.484 0.400 . 3 . . . . A 116 PHE CD1 . 31251 1 1398 . 1 . 1 116 116 PHE CE1 C 13 130.159 0.400 . 3 . . . . A 116 PHE CE1 . 31251 1 1399 . 1 . 1 116 116 PHE CZ C 13 128.284 0.400 . 1 . . . . A 116 PHE CZ . 31251 1 1400 . 1 . 1 116 116 PHE N N 15 129.770 0.400 . 1 . . . . A 116 PHE N . 31251 1 1401 . 1 . 1 117 117 GLU H H 1 8.707 0.020 . 1 . . . . A 117 GLU H . 31251 1 1402 . 1 . 1 117 117 GLU HA H 1 5.663 0.020 . 1 . . . . A 117 GLU HA . 31251 1 1403 . 1 . 1 117 117 GLU HB2 H 1 1.551 0.020 . 2 . . . . A 117 GLU HB2 . 31251 1 1404 . 1 . 1 117 117 GLU HB3 H 1 2.046 0.020 . 2 . . . . A 117 GLU HB3 . 31251 1 1405 . 1 . 1 117 117 GLU HG2 H 1 2.068 0.020 . 2 . . . . A 117 GLU HG2 . 31251 1 1406 . 1 . 1 117 117 GLU HG3 H 1 2.310 0.020 . 2 . . . . A 117 GLU HG3 . 31251 1 1407 . 1 . 1 117 117 GLU C C 13 174.104 0.400 . 1 . . . . A 117 GLU C . 31251 1 1408 . 1 . 1 117 117 GLU CA C 13 54.151 0.400 . 1 . . . . A 117 GLU CA . 31251 1 1409 . 1 . 1 117 117 GLU CB C 13 33.859 0.400 . 1 . . . . A 117 GLU CB . 31251 1 1410 . 1 . 1 117 117 GLU CG C 13 36.010 0.400 . 1 . . . . A 117 GLU CG . 31251 1 1411 . 1 . 1 117 117 GLU N N 15 126.185 0.400 . 1 . . . . A 117 GLU N . 31251 1 1412 . 1 . 1 118 118 ALA H H 1 8.429 0.020 . 1 . . . . A 118 ALA H . 31251 1 1413 . 1 . 1 118 118 ALA HA H 1 5.349 0.020 . 1 . . . . A 118 ALA HA . 31251 1 1414 . 1 . 1 118 118 ALA HB1 H 1 1.248 0.020 . 1 . . . . A 118 ALA HB1 . 31251 1 1415 . 1 . 1 118 118 ALA HB2 H 1 1.248 0.020 . 1 . . . . A 118 ALA HB2 . 31251 1 1416 . 1 . 1 118 118 ALA HB3 H 1 1.248 0.020 . 1 . . . . A 118 ALA HB3 . 31251 1 1417 . 1 . 1 118 118 ALA C C 13 176.373 0.400 . 1 . . . . A 118 ALA C . 31251 1 1418 . 1 . 1 118 118 ALA CA C 13 49.354 0.400 . 1 . . . . A 118 ALA CA . 31251 1 1419 . 1 . 1 118 118 ALA CB C 13 23.006 0.400 . 1 . . . . A 118 ALA CB . 31251 1 1420 . 1 . 1 118 118 ALA N N 15 129.275 0.400 . 1 . . . . A 118 ALA N . 31251 1 1421 . 1 . 1 119 119 THR H H 1 9.270 0.020 . 1 . . . . A 119 THR H . 31251 1 1422 . 1 . 1 119 119 THR HA H 1 4.396 0.020 . 1 . . . . A 119 THR HA . 31251 1 1423 . 1 . 1 119 119 THR HB H 1 4.419 0.020 . 1 . . . . A 119 THR HB . 31251 1 1424 . 1 . 1 119 119 THR HG21 H 1 1.024 0.020 . 1 . . . . A 119 THR HG21 . 31251 1 1425 . 1 . 1 119 119 THR HG22 H 1 1.024 0.020 . 1 . . . . A 119 THR HG22 . 31251 1 1426 . 1 . 1 119 119 THR HG23 H 1 1.024 0.020 . 1 . . . . A 119 THR HG23 . 31251 1 1427 . 1 . 1 119 119 THR C C 13 173.466 0.400 . 1 . . . . A 119 THR C . 31251 1 1428 . 1 . 1 119 119 THR CA C 13 59.658 0.400 . 1 . . . . A 119 THR CA . 31251 1 1429 . 1 . 1 119 119 THR CB C 13 71.022 0.400 . 1 . . . . A 119 THR CB . 31251 1 1430 . 1 . 1 119 119 THR CG2 C 13 22.722 0.400 . 1 . . . . A 119 THR CG2 . 31251 1 1431 . 1 . 1 119 119 THR N N 15 112.587 0.400 . 1 . . . . A 119 THR N . 31251 1 1432 . 1 . 1 120 120 LYS H H 1 7.978 0.020 . 1 . . . . A 120 LYS H . 31251 1 1433 . 1 . 1 120 120 LYS HA H 1 4.835 0.020 . 1 . . . . A 120 LYS HA . 31251 1 1434 . 1 . 1 120 120 LYS HB2 H 1 1.794 0.020 . 2 . . . . A 120 LYS HB2 . 31251 1 1435 . 1 . 1 120 120 LYS HB3 H 1 1.810 0.020 . 2 . . . . A 120 LYS HB3 . 31251 1 1436 . 1 . 1 120 120 LYS HG2 H 1 1.438 0.020 . 2 . . . . A 120 LYS HG2 . 31251 1 1437 . 1 . 1 120 120 LYS HG3 H 1 1.552 0.020 . 2 . . . . A 120 LYS HG3 . 31251 1 1438 . 1 . 1 120 120 LYS HD2 H 1 1.605 0.020 . 2 . . . . A 120 LYS HD2 . 31251 1 1439 . 1 . 1 120 120 LYS HD3 H 1 1.551 0.020 . 2 . . . . A 120 LYS HD3 . 31251 1 1440 . 1 . 1 120 120 LYS HE2 H 1 2.856 0.020 . 2 . . . . A 120 LYS HE2 . 31251 1 1441 . 1 . 1 120 120 LYS HE3 H 1 2.859 0.020 . 2 . . . . A 120 LYS HE3 . 31251 1 1442 . 1 . 1 120 120 LYS C C 13 176.015 0.400 . 1 . . . . A 120 LYS C . 31251 1 1443 . 1 . 1 120 120 LYS CA C 13 55.146 0.400 . 1 . . . . A 120 LYS CA . 31251 1 1444 . 1 . 1 120 120 LYS CB C 13 33.890 0.400 . 1 . . . . A 120 LYS CB . 31251 1 1445 . 1 . 1 120 120 LYS CG C 13 24.079 0.400 . 1 . . . . A 120 LYS CG . 31251 1 1446 . 1 . 1 120 120 LYS CD C 13 29.134 0.400 . 1 . . . . A 120 LYS CD . 31251 1 1447 . 1 . 1 120 120 LYS CE C 13 41.780 0.400 . 1 . . . . A 120 LYS CE . 31251 1 1448 . 1 . 1 120 120 LYS N N 15 117.177 0.400 . 1 . . . . A 120 LYS N . 31251 1 1449 . 1 . 1 121 121 GLN H H 1 7.649 0.020 . 1 . . . . A 121 GLN H . 31251 1 1450 . 1 . 1 121 121 GLN HA H 1 4.035 0.020 . 1 . . . . A 121 GLN HA . 31251 1 1451 . 1 . 1 121 121 GLN HB2 H 1 1.841 0.020 . 2 . . . . A 121 GLN HB2 . 31251 1 1452 . 1 . 1 121 121 GLN HB3 H 1 1.955 0.020 . 2 . . . . A 121 GLN HB3 . 31251 1 1453 . 1 . 1 121 121 GLN HG2 H 1 2.127 0.020 . 2 . . . . A 121 GLN HG2 . 31251 1 1454 . 1 . 1 121 121 GLN HG3 H 1 2.127 0.020 . 2 . . . . A 121 GLN HG3 . 31251 1 1455 . 1 . 1 121 121 GLN HE21 H 1 6.742 0.020 . 2 . . . . A 121 GLN HE21 . 31251 1 1456 . 1 . 1 121 121 GLN HE22 H 1 7.475 0.020 . 2 . . . . A 121 GLN HE22 . 31251 1 1457 . 1 . 1 121 121 GLN CA C 13 57.029 0.400 . 1 . . . . A 121 GLN CA . 31251 1 1458 . 1 . 1 121 121 GLN CB C 13 30.497 0.400 . 1 . . . . A 121 GLN CB . 31251 1 1459 . 1 . 1 121 121 GLN CG C 13 33.854 0.400 . 1 . . . . A 121 GLN CG . 31251 1 1460 . 1 . 1 121 121 GLN N N 15 122.419 0.400 . 1 . . . . A 121 GLN N . 31251 1 1461 . 1 . 1 121 121 GLN NE2 N 15 111.753 0.400 . 1 . . . . A 121 GLN NE2 . 31251 1 stop_ save_