data_34731 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34731 _Entry.Title ; The NMR structure of the MAX47 effector from Magnaporthe Oryzae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-04-12 _Entry.Accession_date 2022-04-12 _Entry.Last_release_date 2022-06-10 _Entry.Original_release_date 2022-06-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 M. Lahfa M. . . . 34731 2 A. Padilla A. . . . 34731 3 K. 'de Guillen' K. . . . 34731 4 J. Pissarra J. . . . 34731 5 M. Raji M. . . . 34731 6 S. Cesari S. . . . 34731 7 T. Kroj T. . . . 34731 8 P. Gladieux P. . . . 34731 9 C. Roumestand C. . . . 34731 10 P. Barthe P. . . . 34731 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Magnaporthe oryzae' . 34731 'UNKNOWN FUNCTION' . 34731 effector . 34731 'plant pathogen' . 34731 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34731 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 249 34731 '15N chemical shifts' 93 34731 '1H chemical shifts' 574 34731 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 . . 2023-04-18 . original BMRB . 34731 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7ZKD 'BMRB Entry Tracking System' 34731 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34731 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35657473 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N backbone and side-chain NMR assignments for three MAX effectors from Magnaporthe oryzae ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 16 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 305 _Citation.Page_last 309 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Lahfa M. . . . 34731 1 2 A. Padilla A. . . . 34731 1 3 K. 'de Guillen' K. . . . 34731 1 4 J. Pissarra J. . . . 34731 1 5 M. Raji M. . . . 34731 1 6 S. Cesari S. . . . 34731 1 7 T. Kroj T. . . . 34731 1 8 P. Gladieux P. . . . 34731 1 9 C. Roumestand C. . . . 34731 1 10 P. Barthe P. . . . 34731 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34731 _Assembly.ID 1 _Assembly.Name 'MAX effector protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34731 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 29 29 SG . 1 . 1 CYS 95 95 SG . . . . . . . . . . . . 34731 1 2 disulfide single . 1 . 1 CYS 30 30 SG . 1 . 1 CYS 66 66 SG . . . . . . . . . . . . 34731 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34731 _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 ; GPHMNNVMASSSSDTDSDSS PDRGLSRMCCVYKIHPGGNI WSTKKGEQAWFRRRFSKYEV MAYDRCNLEWGFSGKPRGLT FEFLWDKEAAADGTC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10780.053 _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 14 GLY . 34731 1 2 15 PRO . 34731 1 3 16 HIS . 34731 1 4 17 MET . 34731 1 5 18 ASN . 34731 1 6 19 ASN . 34731 1 7 20 VAL . 34731 1 8 21 MET . 34731 1 9 22 ALA . 34731 1 10 23 SER . 34731 1 11 24 SER . 34731 1 12 25 SER . 34731 1 13 26 SER . 34731 1 14 27 ASP . 34731 1 15 28 THR . 34731 1 16 29 ASP . 34731 1 17 30 SER . 34731 1 18 31 ASP . 34731 1 19 32 SER . 34731 1 20 33 SER . 34731 1 21 34 PRO . 34731 1 22 35 ASP . 34731 1 23 36 ARG . 34731 1 24 37 GLY . 34731 1 25 38 LEU . 34731 1 26 39 SER . 34731 1 27 40 ARG . 34731 1 28 41 MET . 34731 1 29 42 CYS . 34731 1 30 43 CYS . 34731 1 31 44 VAL . 34731 1 32 45 TYR . 34731 1 33 46 LYS . 34731 1 34 47 ILE . 34731 1 35 48 HIS . 34731 1 36 49 PRO . 34731 1 37 50 GLY . 34731 1 38 51 GLY . 34731 1 39 52 ASN . 34731 1 40 53 ILE . 34731 1 41 54 TRP . 34731 1 42 55 SER . 34731 1 43 56 THR . 34731 1 44 57 LYS . 34731 1 45 58 LYS . 34731 1 46 59 GLY . 34731 1 47 60 GLU . 34731 1 48 61 GLN . 34731 1 49 62 ALA . 34731 1 50 63 TRP . 34731 1 51 64 PHE . 34731 1 52 65 ARG . 34731 1 53 66 ARG . 34731 1 54 67 ARG . 34731 1 55 68 PHE . 34731 1 56 69 SER . 34731 1 57 70 LYS . 34731 1 58 71 TYR . 34731 1 59 72 GLU . 34731 1 60 73 VAL . 34731 1 61 74 MET . 34731 1 62 75 ALA . 34731 1 63 76 TYR . 34731 1 64 77 ASP . 34731 1 65 78 ARG . 34731 1 66 79 CYS . 34731 1 67 80 ASN . 34731 1 68 81 LEU . 34731 1 69 82 GLU . 34731 1 70 83 TRP . 34731 1 71 84 GLY . 34731 1 72 85 PHE . 34731 1 73 86 SER . 34731 1 74 87 GLY . 34731 1 75 88 LYS . 34731 1 76 89 PRO . 34731 1 77 90 ARG . 34731 1 78 91 GLY . 34731 1 79 92 LEU . 34731 1 80 93 THR . 34731 1 81 94 PHE . 34731 1 82 95 GLU . 34731 1 83 96 PHE . 34731 1 84 97 LEU . 34731 1 85 98 TRP . 34731 1 86 99 ASP . 34731 1 87 100 LYS . 34731 1 88 101 GLU . 34731 1 89 102 ALA . 34731 1 90 103 ALA . 34731 1 91 104 ALA . 34731 1 92 105 ASP . 34731 1 93 106 GLY . 34731 1 94 107 THR . 34731 1 95 108 CYS . 34731 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34731 1 . PRO 2 2 34731 1 . HIS 3 3 34731 1 . MET 4 4 34731 1 . ASN 5 5 34731 1 . ASN 6 6 34731 1 . VAL 7 7 34731 1 . MET 8 8 34731 1 . ALA 9 9 34731 1 . SER 10 10 34731 1 . SER 11 11 34731 1 . SER 12 12 34731 1 . SER 13 13 34731 1 . ASP 14 14 34731 1 . THR 15 15 34731 1 . ASP 16 16 34731 1 . SER 17 17 34731 1 . ASP 18 18 34731 1 . SER 19 19 34731 1 . SER 20 20 34731 1 . PRO 21 21 34731 1 . ASP 22 22 34731 1 . ARG 23 23 34731 1 . GLY 24 24 34731 1 . LEU 25 25 34731 1 . SER 26 26 34731 1 . ARG 27 27 34731 1 . MET 28 28 34731 1 . CYS 29 29 34731 1 . CYS 30 30 34731 1 . VAL 31 31 34731 1 . TYR 32 32 34731 1 . LYS 33 33 34731 1 . ILE 34 34 34731 1 . HIS 35 35 34731 1 . PRO 36 36 34731 1 . GLY 37 37 34731 1 . GLY 38 38 34731 1 . ASN 39 39 34731 1 . ILE 40 40 34731 1 . TRP 41 41 34731 1 . SER 42 42 34731 1 . THR 43 43 34731 1 . LYS 44 44 34731 1 . LYS 45 45 34731 1 . GLY 46 46 34731 1 . GLU 47 47 34731 1 . GLN 48 48 34731 1 . ALA 49 49 34731 1 . TRP 50 50 34731 1 . PHE 51 51 34731 1 . ARG 52 52 34731 1 . ARG 53 53 34731 1 . ARG 54 54 34731 1 . PHE 55 55 34731 1 . SER 56 56 34731 1 . LYS 57 57 34731 1 . TYR 58 58 34731 1 . GLU 59 59 34731 1 . VAL 60 60 34731 1 . MET 61 61 34731 1 . ALA 62 62 34731 1 . TYR 63 63 34731 1 . ASP 64 64 34731 1 . ARG 65 65 34731 1 . CYS 66 66 34731 1 . ASN 67 67 34731 1 . LEU 68 68 34731 1 . GLU 69 69 34731 1 . TRP 70 70 34731 1 . GLY 71 71 34731 1 . PHE 72 72 34731 1 . SER 73 73 34731 1 . GLY 74 74 34731 1 . LYS 75 75 34731 1 . PRO 76 76 34731 1 . ARG 77 77 34731 1 . GLY 78 78 34731 1 . LEU 79 79 34731 1 . THR 80 80 34731 1 . PHE 81 81 34731 1 . GLU 82 82 34731 1 . PHE 83 83 34731 1 . LEU 84 84 34731 1 . TRP 85 85 34731 1 . ASP 86 86 34731 1 . LYS 87 87 34731 1 . GLU 88 88 34731 1 . ALA 89 89 34731 1 . ALA 90 90 34731 1 . ALA 91 91 34731 1 . ASP 92 92 34731 1 . GLY 93 93 34731 1 . THR 94 94 34731 1 . CYS 95 95 34731 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 34731 _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 . 318829 organism . 'Pyricularia oryzae' 'Pyricularia oryzae' . . Eukaryota Fungi Pyricularia oryzae P131 . . . . . . . . . . OOW_P131scaffold01587g2 . 34731 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 34731 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 34731 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34731 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-15N] MAX47, 25 mM sodium acetate, 2 mM DTT, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MAX47 [U-15N] . . 1 $entity_1 . . 0.5 . . mM . . . . 34731 1 2 'sodium acetate' 'natural abundance' . . . . . . 25 . . mM . . . . 34731 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 34731 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34731 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-13C; U-15N] MAX47, 25 mM sodium acetate, 2 mM DTT, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MAX47 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34731 2 2 'sodium acetate' 'natural abundance' . . . . . . 25 . . mM . . . . 34731 2 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 34731 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34731 _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' 0 . mM 34731 1 pH 4.6 . pH 34731 1 pressure 1 . atm 34731 1 temperature 305 . K 34731 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34731 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version 1.2 _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' . . 34731 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34731 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34731 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34731 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34731 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34731 _Software.ID 3 _Software.Type . _Software.Name CINDY _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Padilla, A.' . . 34731 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34731 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34731 _Software.ID 4 _Software.Type . _Software.Name TopSpin _Software.Version 3.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34731 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34731 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 34731 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34731 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 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 34731 _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' . 700 . . . 34731 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 34731 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 34731 _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 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34731 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34731 1 3 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34731 1 4 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34731 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34731 1 6 '3D HN(COCA)CB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34731 1 7 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34731 1 8 '3D HCACO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34731 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 34731 _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 protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 34731 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 34731 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 34731 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 34731 _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 '3D 1H-15N NOESY' . . . 34731 1 2 '3D 1H-15N TOCSY' . . . 34731 1 3 '3D HNCA' . . . 34731 1 4 '3D HNCACB' . . . 34731 1 5 '3D HN(CO)CA' . . . 34731 1 6 '3D HN(COCA)CB' . . . 34731 1 7 '3D HNCO' . . . 34731 1 8 '3D HCACO' . . . 34731 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 5 5 ASN HA H 1 4.703 0.000 . . . . . . A 18 ASN HA . 34731 1 2 . 1 . 1 5 5 ASN HB2 H 1 2.766 0.000 . . . . . . A 18 ASN HB2 . 34731 1 3 . 1 . 1 5 5 ASN HB3 H 1 2.842 0.000 . . . . . . A 18 ASN HB3 . 34731 1 4 . 1 . 1 5 5 ASN HD21 H 1 7.576 0.000 . . . . . . A 18 ASN HD21 . 34731 1 5 . 1 . 1 5 5 ASN HD22 H 1 6.908 0.000 . . . . . . A 18 ASN HD22 . 34731 1 6 . 1 . 1 5 5 ASN C C 13 174.820 0.000 . . . . . . A 18 ASN C . 34731 1 7 . 1 . 1 5 5 ASN CA C 13 53.340 0.000 . . . . . . A 18 ASN CA . 34731 1 8 . 1 . 1 5 5 ASN CB C 13 38.990 0.000 . . . . . . A 18 ASN CB . 34731 1 9 . 1 . 1 5 5 ASN N N 15 120.040 0.000 . . . . . . A 18 ASN N . 34731 1 10 . 1 . 1 5 5 ASN ND2 N 15 112.900 0.000 . . . . . . A 18 ASN ND2 . 34731 1 11 . 1 . 1 6 6 ASN H H 1 8.405 0.000 . . . . . . A 19 ASN H . 34731 1 12 . 1 . 1 6 6 ASN HA H 1 4.707 0.000 . . . . . . A 19 ASN HA . 34731 1 13 . 1 . 1 6 6 ASN HB2 H 1 2.766 0.000 . . . . . . A 19 ASN HB2 . 34731 1 14 . 1 . 1 6 6 ASN HB3 H 1 2.835 0.000 . . . . . . A 19 ASN HB3 . 34731 1 15 . 1 . 1 6 6 ASN HD21 H 1 7.553 0.000 . . . . . . A 19 ASN HD21 . 34731 1 16 . 1 . 1 6 6 ASN HD22 H 1 6.853 0.000 . . . . . . A 19 ASN HD22 . 34731 1 17 . 1 . 1 6 6 ASN C C 13 175.120 0.000 . . . . . . A 19 ASN C . 34731 1 18 . 1 . 1 6 6 ASN CA C 13 53.420 0.000 . . . . . . A 19 ASN CA . 34731 1 19 . 1 . 1 6 6 ASN CB C 13 38.820 0.000 . . . . . . A 19 ASN CB . 34731 1 20 . 1 . 1 6 6 ASN N N 15 119.250 0.000 . . . . . . A 19 ASN N . 34731 1 21 . 1 . 1 6 6 ASN ND2 N 15 112.500 0.000 . . . . . . A 19 ASN ND2 . 34731 1 22 . 1 . 1 7 7 VAL H H 1 8.041 0.000 . . . . . . A 20 VAL H . 34731 1 23 . 1 . 1 7 7 VAL HA H 1 4.102 0.000 . . . . . . A 20 VAL HA . 34731 1 24 . 1 . 1 7 7 VAL HB H 1 2.101 0.000 . . . . . . A 20 VAL HB . 34731 1 25 . 1 . 1 7 7 VAL HG11 H 1 0.947 0.000 . . . . . . A 20 VAL HG11 . 34731 1 26 . 1 . 1 7 7 VAL HG12 H 1 0.947 0.000 . . . . . . A 20 VAL HG12 . 34731 1 27 . 1 . 1 7 7 VAL HG13 H 1 0.947 0.000 . . . . . . A 20 VAL HG13 . 34731 1 28 . 1 . 1 7 7 VAL HG21 H 1 0.915 0.000 . . . . . . A 20 VAL HG21 . 34731 1 29 . 1 . 1 7 7 VAL HG22 H 1 0.915 0.000 . . . . . . A 20 VAL HG22 . 34731 1 30 . 1 . 1 7 7 VAL HG23 H 1 0.915 0.000 . . . . . . A 20 VAL HG23 . 34731 1 31 . 1 . 1 7 7 VAL C C 13 176.200 0.000 . . . . . . A 20 VAL C . 34731 1 32 . 1 . 1 7 7 VAL CA C 13 62.700 0.000 . . . . . . A 20 VAL CA . 34731 1 33 . 1 . 1 7 7 VAL CB C 13 32.620 0.000 . . . . . . A 20 VAL CB . 34731 1 34 . 1 . 1 7 7 VAL N N 15 120.150 0.000 . . . . . . A 20 VAL N . 34731 1 35 . 1 . 1 8 8 MET H H 1 8.348 0.000 . . . . . . A 21 MET H . 34731 1 36 . 1 . 1 8 8 MET HA H 1 4.480 0.000 . . . . . . A 21 MET HA . 34731 1 37 . 1 . 1 8 8 MET HB2 H 1 2.001 0.000 . . . . . . A 21 MET HB2 . 34731 1 38 . 1 . 1 8 8 MET HB3 H 1 2.098 0.000 . . . . . . A 21 MET HB3 . 34731 1 39 . 1 . 1 8 8 MET HG2 H 1 2.538 0.000 . . . . . . A 21 MET HG2 . 34731 1 40 . 1 . 1 8 8 MET HG3 H 1 2.615 0.000 . . . . . . A 21 MET HG3 . 34731 1 41 . 1 . 1 8 8 MET C C 13 175.960 0.000 . . . . . . A 21 MET C . 34731 1 42 . 1 . 1 8 8 MET CA C 13 55.420 0.000 . . . . . . A 21 MET CA . 34731 1 43 . 1 . 1 8 8 MET CB C 13 32.870 0.000 . . . . . . A 21 MET CB . 34731 1 44 . 1 . 1 8 8 MET N N 15 123.520 0.000 . . . . . . A 21 MET N . 34731 1 45 . 1 . 1 9 9 ALA H H 1 8.235 0.000 . . . . . . A 22 ALA H . 34731 1 46 . 1 . 1 9 9 ALA HA H 1 4.360 0.000 . . . . . . A 22 ALA HA . 34731 1 47 . 1 . 1 9 9 ALA HB1 H 1 1.407 0.000 . . . . . . A 22 ALA HB1 . 34731 1 48 . 1 . 1 9 9 ALA HB2 H 1 1.407 0.000 . . . . . . A 22 ALA HB2 . 34731 1 49 . 1 . 1 9 9 ALA HB3 H 1 1.407 0.000 . . . . . . A 22 ALA HB3 . 34731 1 50 . 1 . 1 9 9 ALA C C 13 177.720 0.000 . . . . . . A 22 ALA C . 34731 1 51 . 1 . 1 9 9 ALA CA C 13 52.650 0.000 . . . . . . A 22 ALA CA . 34731 1 52 . 1 . 1 9 9 ALA CB C 13 19.350 0.000 . . . . . . A 22 ALA CB . 34731 1 53 . 1 . 1 9 9 ALA N N 15 125.380 0.000 . . . . . . A 22 ALA N . 34731 1 54 . 1 . 1 10 10 SER H H 1 8.267 0.000 . . . . . . A 23 SER H . 34731 1 55 . 1 . 1 10 10 SER HA H 1 4.501 0.000 . . . . . . A 23 SER HA . 34731 1 56 . 1 . 1 10 10 SER HB2 H 1 3.867 0.000 . . . . . . A 23 SER HB2 . 34731 1 57 . 1 . 1 10 10 SER HB3 H 1 3.943 0.000 . . . . . . A 23 SER HB3 . 34731 1 58 . 1 . 1 10 10 SER C C 13 174.720 0.000 . . . . . . A 23 SER C . 34731 1 59 . 1 . 1 10 10 SER CA C 13 58.340 0.000 . . . . . . A 23 SER CA . 34731 1 60 . 1 . 1 10 10 SER CB C 13 63.920 0.000 . . . . . . A 23 SER CB . 34731 1 61 . 1 . 1 10 10 SER N N 15 115.020 0.000 . . . . . . A 23 SER N . 34731 1 62 . 1 . 1 11 11 SER H H 1 8.321 0.000 . . . . . . A 24 SER H . 34731 1 63 . 1 . 1 11 11 SER HA H 1 4.542 0.000 . . . . . . A 24 SER HA . 34731 1 64 . 1 . 1 11 11 SER HB2 H 1 3.888 0.000 . . . . . . A 24 SER HB2 . 34731 1 65 . 1 . 1 11 11 SER HB3 H 1 3.942 0.000 . . . . . . A 24 SER HB3 . 34731 1 66 . 1 . 1 11 11 SER C C 13 174.660 0.000 . . . . . . A 24 SER C . 34731 1 67 . 1 . 1 11 11 SER CA C 13 58.390 0.000 . . . . . . A 24 SER CA . 34731 1 68 . 1 . 1 11 11 SER CB C 13 63.900 0.000 . . . . . . A 24 SER CB . 34731 1 69 . 1 . 1 11 11 SER N N 15 117.520 0.000 . . . . . . A 24 SER N . 34731 1 70 . 1 . 1 12 12 SER H H 1 8.352 0.000 . . . . . . A 25 SER H . 34731 1 71 . 1 . 1 12 12 SER HA H 1 4.547 0.000 . . . . . . A 25 SER HA . 34731 1 72 . 1 . 1 12 12 SER HB2 H 1 3.883 0.000 . . . . . . A 25 SER HB2 . 34731 1 73 . 1 . 1 12 12 SER HB3 H 1 3.952 0.000 . . . . . . A 25 SER HB3 . 34731 1 74 . 1 . 1 12 12 SER C C 13 174.640 0.000 . . . . . . A 25 SER C . 34731 1 75 . 1 . 1 12 12 SER CA C 13 58.510 0.000 . . . . . . A 25 SER CA . 34731 1 76 . 1 . 1 12 12 SER CB C 13 63.940 0.000 . . . . . . A 25 SER CB . 34731 1 77 . 1 . 1 12 12 SER N N 15 117.690 0.000 . . . . . . A 25 SER N . 34731 1 78 . 1 . 1 13 13 SER H H 1 8.316 0.000 . . . . . . A 26 SER H . 34731 1 79 . 1 . 1 13 13 SER HA H 1 4.519 0.000 . . . . . . A 26 SER HA . 34731 1 80 . 1 . 1 13 13 SER HB2 H 1 3.872 0.000 . . . . . . A 26 SER HB2 . 34731 1 81 . 1 . 1 13 13 SER HB3 H 1 3.926 0.000 . . . . . . A 26 SER HB3 . 34731 1 82 . 1 . 1 13 13 SER C C 13 174.630 0.000 . . . . . . A 26 SER C . 34731 1 83 . 1 . 1 13 13 SER CA C 13 58.490 0.000 . . . . . . A 26 SER CA . 34731 1 84 . 1 . 1 13 13 SER CB C 13 63.940 0.000 . . . . . . A 26 SER CB . 34731 1 85 . 1 . 1 13 13 SER N N 15 117.420 0.000 . . . . . . A 26 SER N . 34731 1 86 . 1 . 1 14 14 ASP H H 1 8.362 0.000 . . . . . . A 27 ASP H . 34731 1 87 . 1 . 1 14 14 ASP HA H 1 4.715 0.000 . . . . . . A 27 ASP HA . 34731 1 88 . 1 . 1 14 14 ASP HB2 H 1 2.701 0.000 . . . . . . A 27 ASP HB2 . 34731 1 89 . 1 . 1 14 14 ASP HB3 H 1 2.797 0.000 . . . . . . A 27 ASP HB3 . 34731 1 90 . 1 . 1 14 14 ASP C C 13 176.320 0.000 . . . . . . A 27 ASP C . 34731 1 91 . 1 . 1 14 14 ASP CA C 13 54.350 0.000 . . . . . . A 27 ASP CA . 34731 1 92 . 1 . 1 14 14 ASP CB C 13 40.570 0.000 . . . . . . A 27 ASP CB . 34731 1 93 . 1 . 1 14 14 ASP N N 15 122.130 0.000 . . . . . . A 27 ASP N . 34731 1 94 . 1 . 1 15 15 THR H H 1 8.076 0.000 . . . . . . A 28 THR H . 34731 1 95 . 1 . 1 15 15 THR HA H 1 4.350 0.000 . . . . . . A 28 THR HA . 34731 1 96 . 1 . 1 15 15 THR HB H 1 4.276 0.000 . . . . . . A 28 THR HB . 34731 1 97 . 1 . 1 15 15 THR HG21 H 1 1.195 0.000 . . . . . . A 28 THR HG21 . 34731 1 98 . 1 . 1 15 15 THR HG22 H 1 1.195 0.000 . . . . . . A 28 THR HG22 . 34731 1 99 . 1 . 1 15 15 THR HG23 H 1 1.195 0.000 . . . . . . A 28 THR HG23 . 34731 1 100 . 1 . 1 15 15 THR C C 13 174.590 0.000 . . . . . . A 28 THR C . 34731 1 101 . 1 . 1 15 15 THR CA C 13 62.040 0.000 . . . . . . A 28 THR CA . 34731 1 102 . 1 . 1 15 15 THR CB C 13 69.790 0.000 . . . . . . A 28 THR CB . 34731 1 103 . 1 . 1 15 15 THR N N 15 113.480 0.000 . . . . . . A 28 THR N . 34731 1 104 . 1 . 1 16 16 ASP H H 1 8.319 0.000 . . . . . . A 29 ASP H . 34731 1 105 . 1 . 1 16 16 ASP HA H 1 4.689 0.000 . . . . . . A 29 ASP HA . 34731 1 106 . 1 . 1 16 16 ASP HB2 H 1 2.711 0.000 . . . . . . A 29 ASP HB2 . 34731 1 107 . 1 . 1 16 16 ASP HB3 H 1 2.797 0.000 . . . . . . A 29 ASP HB3 . 34731 1 108 . 1 . 1 16 16 ASP C C 13 176.230 0.000 . . . . . . A 29 ASP C . 34731 1 109 . 1 . 1 16 16 ASP CA C 13 54.300 0.000 . . . . . . A 29 ASP CA . 34731 1 110 . 1 . 1 16 16 ASP CB C 13 40.520 0.000 . . . . . . A 29 ASP CB . 34731 1 111 . 1 . 1 16 16 ASP N N 15 122.290 0.000 . . . . . . A 29 ASP N . 34731 1 112 . 1 . 1 17 17 SER H H 1 8.228 0.000 . . . . . . A 30 SER H . 34731 1 113 . 1 . 1 17 17 SER HA H 1 4.424 0.000 . . . . . . A 30 SER HA . 34731 1 114 . 1 . 1 17 17 SER HB2 H 1 3.854 0.000 . . . . . . A 30 SER HB2 . 34731 1 115 . 1 . 1 17 17 SER HB3 H 1 3.937 0.000 . . . . . . A 30 SER HB3 . 34731 1 116 . 1 . 1 17 17 SER C C 13 174.590 0.000 . . . . . . A 30 SER C . 34731 1 117 . 1 . 1 17 17 SER CA C 13 58.800 0.000 . . . . . . A 30 SER CA . 34731 1 118 . 1 . 1 17 17 SER CB C 13 63.990 0.000 . . . . . . A 30 SER CB . 34731 1 119 . 1 . 1 17 17 SER N N 15 116.090 0.000 . . . . . . A 30 SER N . 34731 1 120 . 1 . 1 18 18 ASP H H 1 8.348 0.000 . . . . . . A 31 ASP H . 34731 1 121 . 1 . 1 18 18 ASP HA H 1 4.675 0.000 . . . . . . A 31 ASP HA . 34731 1 122 . 1 . 1 18 18 ASP HB2 H 1 2.717 0.000 . . . . . . A 31 ASP HB2 . 34731 1 123 . 1 . 1 18 18 ASP HB3 H 1 2.787 0.000 . . . . . . A 31 ASP HB3 . 34731 1 124 . 1 . 1 18 18 ASP C C 13 176.050 0.000 . . . . . . A 31 ASP C . 34731 1 125 . 1 . 1 18 18 ASP CA C 13 54.450 0.000 . . . . . . A 31 ASP CA . 34731 1 126 . 1 . 1 18 18 ASP CB C 13 40.570 0.000 . . . . . . A 31 ASP CB . 34731 1 127 . 1 . 1 18 18 ASP N N 15 121.800 0.000 . . . . . . A 31 ASP N . 34731 1 128 . 1 . 1 19 19 SER H H 1 8.137 0.000 . . . . . . A 32 SER H . 34731 1 129 . 1 . 1 19 19 SER HA H 1 4.477 0.000 . . . . . . A 32 SER HA . 34731 1 130 . 1 . 1 19 19 SER HB2 H 1 3.860 0.000 . . . . . . A 32 SER HB2 . 34731 1 131 . 1 . 1 19 19 SER HB3 H 1 3.916 0.000 . . . . . . A 32 SER HB3 . 34731 1 132 . 1 . 1 19 19 SER C C 13 174.330 0.000 . . . . . . A 32 SER C . 34731 1 133 . 1 . 1 19 19 SER CA C 13 58.300 0.000 . . . . . . A 32 SER CA . 34731 1 134 . 1 . 1 19 19 SER CB C 13 63.880 0.000 . . . . . . A 32 SER CB . 34731 1 135 . 1 . 1 19 19 SER N N 15 115.690 0.000 . . . . . . A 32 SER N . 34731 1 136 . 1 . 1 20 20 SER H H 1 8.211 0.000 . . . . . . A 33 SER H . 34731 1 137 . 1 . 1 20 20 SER HA H 1 4.753 0.000 . . . . . . A 33 SER HA . 34731 1 138 . 1 . 1 20 20 SER HB2 H 1 3.868 0.000 . . . . . . A 33 SER HB2 . 34731 1 139 . 1 . 1 20 20 SER HB3 H 1 3.909 0.000 . . . . . . A 33 SER HB3 . 34731 1 140 . 1 . 1 20 20 SER C C 13 173.290 0.000 . . . . . . A 33 SER C . 34731 1 141 . 1 . 1 20 20 SER CA C 13 56.610 0.000 . . . . . . A 33 SER CA . 34731 1 142 . 1 . 1 20 20 SER CB C 13 63.460 0.000 . . . . . . A 33 SER CB . 34731 1 143 . 1 . 1 20 20 SER N N 15 118.580 0.000 . . . . . . A 33 SER N . 34731 1 144 . 1 . 1 21 21 PRO HA H 1 4.451 0.000 . . . . . . A 34 PRO HA . 34731 1 145 . 1 . 1 21 21 PRO HB2 H 1 1.920 0.000 . . . . . . A 34 PRO HB2 . 34731 1 146 . 1 . 1 21 21 PRO HB3 H 1 2.279 0.000 . . . . . . A 34 PRO HB3 . 34731 1 147 . 1 . 1 21 21 PRO HG2 H 1 1.995 0.000 . . . . . . A 34 PRO HG2 . 34731 1 148 . 1 . 1 21 21 PRO HG3 H 1 2.025 0.000 . . . . . . A 34 PRO HG3 . 34731 1 149 . 1 . 1 21 21 PRO HD2 H 1 3.746 0.000 . . . . . . A 34 PRO HD2 . 34731 1 150 . 1 . 1 21 21 PRO HD3 H 1 3.810 0.000 . . . . . . A 34 PRO HD3 . 34731 1 151 . 1 . 1 21 21 PRO C C 13 176.830 0.000 . . . . . . A 34 PRO C . 34731 1 152 . 1 . 1 21 21 PRO CA C 13 63.740 0.000 . . . . . . A 34 PRO CA . 34731 1 153 . 1 . 1 21 21 PRO CB C 13 32.080 0.000 . . . . . . A 34 PRO CB . 34731 1 154 . 1 . 1 22 22 ASP H H 1 8.293 0.000 . . . . . . A 35 ASP H . 34731 1 155 . 1 . 1 22 22 ASP HA H 1 4.586 0.000 . . . . . . A 35 ASP HA . 34731 1 156 . 1 . 1 22 22 ASP HB2 H 1 2.671 0.000 . . . . . . A 35 ASP HB2 . 34731 1 157 . 1 . 1 22 22 ASP HB3 H 1 2.759 0.000 . . . . . . A 35 ASP HB3 . 34731 1 158 . 1 . 1 22 22 ASP C C 13 176.450 0.000 . . . . . . A 35 ASP C . 34731 1 159 . 1 . 1 22 22 ASP CA C 13 54.260 0.000 . . . . . . A 35 ASP CA . 34731 1 160 . 1 . 1 22 22 ASP CB C 13 40.610 0.000 . . . . . . A 35 ASP CB . 34731 1 161 . 1 . 1 22 22 ASP N N 15 119.130 0.000 . . . . . . A 35 ASP N . 34731 1 162 . 1 . 1 23 23 ARG H H 1 8.213 0.000 . . . . . . A 36 ARG H . 34731 1 163 . 1 . 1 23 23 ARG HA H 1 4.294 0.000 . . . . . . A 36 ARG HA . 34731 1 164 . 1 . 1 23 23 ARG HB2 H 1 1.817 0.000 . . . . . . A 36 ARG HB2 . 34731 1 165 . 1 . 1 23 23 ARG HB3 H 1 1.950 0.000 . . . . . . A 36 ARG HB3 . 34731 1 166 . 1 . 1 23 23 ARG HG2 H 1 1.625 0.000 . . . . . . A 36 ARG HG2 . 34731 1 167 . 1 . 1 23 23 ARG HG3 H 1 1.673 0.000 . . . . . . A 36 ARG HG3 . 34731 1 168 . 1 . 1 23 23 ARG HD2 H 1 3.188 0.000 . . . . . . A 36 ARG HD2 . 34731 1 169 . 1 . 1 23 23 ARG HD3 H 1 3.222 0.000 . . . . . . A 36 ARG HD3 . 34731 1 170 . 1 . 1 23 23 ARG HE H 1 7.238 0.000 . . . . . . A 36 ARG HE . 34731 1 171 . 1 . 1 23 23 ARG C C 13 177.020 0.000 . . . . . . A 36 ARG C . 34731 1 172 . 1 . 1 23 23 ARG CA C 13 56.600 0.000 . . . . . . A 36 ARG CA . 34731 1 173 . 1 . 1 23 23 ARG CB C 13 30.270 0.000 . . . . . . A 36 ARG CB . 34731 1 174 . 1 . 1 23 23 ARG N N 15 121.630 0.000 . . . . . . A 36 ARG N . 34731 1 175 . 1 . 1 24 24 GLY H H 1 8.427 0.000 . . . . . . A 37 GLY H . 34731 1 176 . 1 . 1 24 24 GLY HA2 H 1 3.917 0.000 . . . . . . A 37 GLY HA2 . 34731 1 177 . 1 . 1 24 24 GLY HA3 H 1 3.947 0.000 . . . . . . A 37 GLY HA3 . 34731 1 178 . 1 . 1 24 24 GLY C C 13 174.560 0.000 . . . . . . A 37 GLY C . 34731 1 179 . 1 . 1 24 24 GLY CA C 13 45.840 0.000 . . . . . . A 37 GLY CA . 34731 1 180 . 1 . 1 24 24 GLY N N 15 108.980 0.000 . . . . . . A 37 GLY N . 34731 1 181 . 1 . 1 25 25 LEU H H 1 7.922 0.000 . . . . . . A 38 LEU H . 34731 1 182 . 1 . 1 25 25 LEU HA H 1 4.346 0.000 . . . . . . A 38 LEU HA . 34731 1 183 . 1 . 1 25 25 LEU HB2 H 1 1.619 0.000 . . . . . . A 38 LEU HB2 . 34731 1 184 . 1 . 1 25 25 LEU HB3 H 1 1.685 0.000 . . . . . . A 38 LEU HB3 . 34731 1 185 . 1 . 1 25 25 LEU HG H 1 1.573 0.000 . . . . . . A 38 LEU HG . 34731 1 186 . 1 . 1 25 25 LEU HD11 H 1 0.924 0.000 . . . . . . A 38 LEU HD11 . 34731 1 187 . 1 . 1 25 25 LEU HD12 H 1 0.924 0.000 . . . . . . A 38 LEU HD12 . 34731 1 188 . 1 . 1 25 25 LEU HD13 H 1 0.924 0.000 . . . . . . A 38 LEU HD13 . 34731 1 189 . 1 . 1 25 25 LEU HD21 H 1 0.863 0.000 . . . . . . A 38 LEU HD21 . 34731 1 190 . 1 . 1 25 25 LEU HD22 H 1 0.863 0.000 . . . . . . A 38 LEU HD22 . 34731 1 191 . 1 . 1 25 25 LEU HD23 H 1 0.863 0.000 . . . . . . A 38 LEU HD23 . 34731 1 192 . 1 . 1 25 25 LEU C C 13 177.380 0.000 . . . . . . A 38 LEU C . 34731 1 193 . 1 . 1 25 25 LEU CA C 13 55.370 0.000 . . . . . . A 38 LEU CA . 34731 1 194 . 1 . 1 25 25 LEU CB C 13 42.230 0.000 . . . . . . A 38 LEU CB . 34731 1 195 . 1 . 1 25 25 LEU N N 15 121.010 0.000 . . . . . . A 38 LEU N . 34731 1 196 . 1 . 1 26 26 SER H H 1 8.186 0.000 . . . . . . A 39 SER H . 34731 1 197 . 1 . 1 26 26 SER HA H 1 4.414 0.000 . . . . . . A 39 SER HA . 34731 1 198 . 1 . 1 26 26 SER HB2 H 1 3.850 0.000 . . . . . . A 39 SER HB2 . 34731 1 199 . 1 . 1 26 26 SER HB3 H 1 3.897 0.000 . . . . . . A 39 SER HB3 . 34731 1 200 . 1 . 1 26 26 SER C C 13 174.760 0.000 . . . . . . A 39 SER C . 34731 1 201 . 1 . 1 26 26 SER CA C 13 58.770 0.000 . . . . . . A 39 SER CA . 34731 1 202 . 1 . 1 26 26 SER CB C 13 63.830 0.000 . . . . . . A 39 SER CB . 34731 1 203 . 1 . 1 26 26 SER N N 15 115.210 0.000 . . . . . . A 39 SER N . 34731 1 204 . 1 . 1 27 27 ARG H H 1 8.451 0.000 . . . . . . A 40 ARG H . 34731 1 205 . 1 . 1 27 27 ARG HA H 1 4.079 0.000 . . . . . . A 40 ARG HA . 34731 1 206 . 1 . 1 27 27 ARG HB2 H 1 1.617 0.000 . . . . . . A 40 ARG HB2 . 34731 1 207 . 1 . 1 27 27 ARG HB3 H 1 1.724 0.000 . . . . . . A 40 ARG HB3 . 34731 1 208 . 1 . 1 27 27 ARG HG2 H 1 1.276 0.000 . . . . . . A 40 ARG HG2 . 34731 1 209 . 1 . 1 27 27 ARG HG3 H 1 1.413 0.000 . . . . . . A 40 ARG HG3 . 34731 1 210 . 1 . 1 27 27 ARG HD2 H 1 3.108 0.000 . . . . . . A 40 ARG HD2 . 34731 1 211 . 1 . 1 27 27 ARG HD3 H 1 3.140 0.000 . . . . . . A 40 ARG HD3 . 34731 1 212 . 1 . 1 27 27 ARG HE H 1 7.280 0.000 . . . . . . A 40 ARG HE . 34731 1 213 . 1 . 1 27 27 ARG C C 13 175.490 0.000 . . . . . . A 40 ARG C . 34731 1 214 . 1 . 1 27 27 ARG CA C 13 55.690 0.000 . . . . . . A 40 ARG CA . 34731 1 215 . 1 . 1 27 27 ARG CB C 13 29.460 0.000 . . . . . . A 40 ARG CB . 34731 1 216 . 1 . 1 27 27 ARG N N 15 124.140 0.000 . . . . . . A 40 ARG N . 34731 1 217 . 1 . 1 28 28 MET CA C 13 57.710 0.000 . . . . . . A 41 MET CA . 34731 1 218 . 1 . 1 29 29 CYS H H 1 8.153 0.000 . . . . . . A 42 CYS H . 34731 1 219 . 1 . 1 29 29 CYS HA H 1 5.221 0.000 . . . . . . A 42 CYS HA . 34731 1 220 . 1 . 1 29 29 CYS HB2 H 1 2.629 0.000 . . . . . . A 42 CYS HB2 . 34731 1 221 . 1 . 1 29 29 CYS HB3 H 1 2.840 0.000 . . . . . . A 42 CYS HB3 . 34731 1 222 . 1 . 1 29 29 CYS C C 13 174.150 0.000 . . . . . . A 42 CYS C . 34731 1 223 . 1 . 1 29 29 CYS CA C 13 53.980 0.000 . . . . . . A 42 CYS CA . 34731 1 224 . 1 . 1 29 29 CYS CB C 13 41.210 0.000 . . . . . . A 42 CYS CB . 34731 1 225 . 1 . 1 29 29 CYS N N 15 121.290 0.000 . . . . . . A 42 CYS N . 34731 1 226 . 1 . 1 30 30 CYS H H 1 9.224 0.000 . . . . . . A 43 CYS H . 34731 1 227 . 1 . 1 30 30 CYS HA H 1 4.722 0.000 . . . . . . A 43 CYS HA . 34731 1 228 . 1 . 1 30 30 CYS HB2 H 1 2.686 0.000 . . . . . . A 43 CYS HB2 . 34731 1 229 . 1 . 1 30 30 CYS HB3 H 1 2.866 0.000 . . . . . . A 43 CYS HB3 . 34731 1 230 . 1 . 1 30 30 CYS C C 13 172.800 0.000 . . . . . . A 43 CYS C . 34731 1 231 . 1 . 1 30 30 CYS CA C 13 55.320 0.000 . . . . . . A 43 CYS CA . 34731 1 232 . 1 . 1 30 30 CYS CB C 13 43.140 0.000 . . . . . . A 43 CYS CB . 34731 1 233 . 1 . 1 30 30 CYS N N 15 122.300 0.000 . . . . . . A 43 CYS N . 34731 1 234 . 1 . 1 31 31 VAL H H 1 8.147 0.000 . . . . . . A 44 VAL H . 34731 1 235 . 1 . 1 31 31 VAL HA H 1 4.351 0.000 . . . . . . A 44 VAL HA . 34731 1 236 . 1 . 1 31 31 VAL HB H 1 1.508 0.000 . . . . . . A 44 VAL HB . 34731 1 237 . 1 . 1 31 31 VAL HG11 H 1 0.832 0.000 . . . . . . A 44 VAL HG11 . 34731 1 238 . 1 . 1 31 31 VAL HG12 H 1 0.832 0.000 . . . . . . A 44 VAL HG12 . 34731 1 239 . 1 . 1 31 31 VAL HG13 H 1 0.832 0.000 . . . . . . A 44 VAL HG13 . 34731 1 240 . 1 . 1 31 31 VAL HG21 H 1 0.705 0.000 . . . . . . A 44 VAL HG21 . 34731 1 241 . 1 . 1 31 31 VAL HG22 H 1 0.705 0.000 . . . . . . A 44 VAL HG22 . 34731 1 242 . 1 . 1 31 31 VAL HG23 H 1 0.705 0.000 . . . . . . A 44 VAL HG23 . 34731 1 243 . 1 . 1 31 31 VAL C C 13 173.330 0.000 . . . . . . A 44 VAL C . 34731 1 244 . 1 . 1 31 31 VAL CA C 13 62.730 0.000 . . . . . . A 44 VAL CA . 34731 1 245 . 1 . 1 31 31 VAL CB C 13 32.340 0.000 . . . . . . A 44 VAL CB . 34731 1 246 . 1 . 1 31 31 VAL N N 15 123.590 0.000 . . . . . . A 44 VAL N . 34731 1 247 . 1 . 1 32 32 TYR H H 1 9.212 0.000 . . . . . . A 45 TYR H . 34731 1 248 . 1 . 1 32 32 TYR HA H 1 5.320 0.000 . . . . . . A 45 TYR HA . 34731 1 249 . 1 . 1 32 32 TYR HB2 H 1 2.898 0.000 . . . . . . A 45 TYR HB2 . 34731 1 250 . 1 . 1 32 32 TYR HB3 H 1 3.120 0.000 . . . . . . A 45 TYR HB3 . 34731 1 251 . 1 . 1 32 32 TYR HD1 H 1 6.769 0.000 . . . . . . A 45 TYR HD1 . 34731 1 252 . 1 . 1 32 32 TYR HD2 H 1 6.769 0.000 . . . . . . A 45 TYR HD2 . 34731 1 253 . 1 . 1 32 32 TYR HE1 H 1 7.064 0.000 . . . . . . A 45 TYR HE1 . 34731 1 254 . 1 . 1 32 32 TYR HE2 H 1 7.064 0.000 . . . . . . A 45 TYR HE2 . 34731 1 255 . 1 . 1 32 32 TYR C C 13 173.810 0.000 . . . . . . A 45 TYR C . 34731 1 256 . 1 . 1 32 32 TYR CA C 13 56.170 0.000 . . . . . . A 45 TYR CA . 34731 1 257 . 1 . 1 32 32 TYR CB C 13 42.940 0.000 . . . . . . A 45 TYR CB . 34731 1 258 . 1 . 1 32 32 TYR N N 15 124.260 0.000 . . . . . . A 45 TYR N . 34731 1 259 . 1 . 1 33 33 LYS H H 1 9.334 0.000 . . . . . . A 46 LYS H . 34731 1 260 . 1 . 1 33 33 LYS HA H 1 4.921 0.000 . . . . . . A 46 LYS HA . 34731 1 261 . 1 . 1 33 33 LYS HB2 H 1 1.393 0.000 . . . . . . A 46 LYS HB2 . 34731 1 262 . 1 . 1 33 33 LYS HB3 H 1 1.625 0.000 . . . . . . A 46 LYS HB3 . 34731 1 263 . 1 . 1 33 33 LYS HG2 H 1 1.005 0.000 . . . . . . A 46 LYS HG2 . 34731 1 264 . 1 . 1 33 33 LYS HG3 H 1 0.718 0.000 . . . . . . A 46 LYS HG3 . 34731 1 265 . 1 . 1 33 33 LYS HD2 H 1 1.543 0.000 . . . . . . A 46 LYS HD2 . 34731 1 266 . 1 . 1 33 33 LYS HD3 H 1 1.543 0.000 . . . . . . A 46 LYS HD3 . 34731 1 267 . 1 . 1 33 33 LYS HE2 H 1 3.365 0.000 . . . . . . A 46 LYS HE2 . 34731 1 268 . 1 . 1 33 33 LYS HE3 H 1 3.365 0.000 . . . . . . A 46 LYS HE3 . 34731 1 269 . 1 . 1 33 33 LYS C C 13 174.920 0.000 . . . . . . A 46 LYS C . 34731 1 270 . 1 . 1 33 33 LYS CA C 13 54.430 0.000 . . . . . . A 46 LYS CA . 34731 1 271 . 1 . 1 33 33 LYS CB C 13 35.370 0.000 . . . . . . A 46 LYS CB . 34731 1 272 . 1 . 1 33 33 LYS N N 15 121.270 0.000 . . . . . . A 46 LYS N . 34731 1 273 . 1 . 1 34 34 ILE H H 1 8.947 0.000 . . . . . . A 47 ILE H . 34731 1 274 . 1 . 1 34 34 ILE HA H 1 4.132 0.000 . . . . . . A 47 ILE HA . 34731 1 275 . 1 . 1 34 34 ILE HB H 1 1.630 0.000 . . . . . . A 47 ILE HB . 34731 1 276 . 1 . 1 34 34 ILE HG12 H 1 1.182 0.000 . . . . . . A 47 ILE HG12 . 34731 1 277 . 1 . 1 34 34 ILE HG13 H 1 0.553 0.000 . . . . . . A 47 ILE HG13 . 34731 1 278 . 1 . 1 34 34 ILE HG21 H 1 0.439 0.000 . . . . . . A 47 ILE HG21 . 34731 1 279 . 1 . 1 34 34 ILE HG22 H 1 0.439 0.000 . . . . . . A 47 ILE HG22 . 34731 1 280 . 1 . 1 34 34 ILE HG23 H 1 0.439 0.000 . . . . . . A 47 ILE HG23 . 34731 1 281 . 1 . 1 34 34 ILE HD11 H 1 0.340 0.000 . . . . . . A 47 ILE HD11 . 34731 1 282 . 1 . 1 34 34 ILE HD12 H 1 0.340 0.000 . . . . . . A 47 ILE HD12 . 34731 1 283 . 1 . 1 34 34 ILE HD13 H 1 0.340 0.000 . . . . . . A 47 ILE HD13 . 34731 1 284 . 1 . 1 34 34 ILE C C 13 175.370 0.000 . . . . . . A 47 ILE C . 34731 1 285 . 1 . 1 34 34 ILE CA C 13 60.680 0.000 . . . . . . A 47 ILE CA . 34731 1 286 . 1 . 1 34 34 ILE CB C 13 37.790 0.000 . . . . . . A 47 ILE CB . 34731 1 287 . 1 . 1 34 34 ILE N N 15 128.240 0.000 . . . . . . A 47 ILE N . 34731 1 288 . 1 . 1 35 35 HIS H H 1 8.796 0.000 . . . . . . A 48 HIS H . 34731 1 289 . 1 . 1 35 35 HIS HA H 1 4.802 0.000 . . . . . . A 48 HIS HA . 34731 1 290 . 1 . 1 35 35 HIS HB2 H 1 3.075 0.000 . . . . . . A 48 HIS HB2 . 34731 1 291 . 1 . 1 35 35 HIS HB3 H 1 3.129 0.000 . . . . . . A 48 HIS HB3 . 34731 1 292 . 1 . 1 35 35 HIS HD2 H 1 7.029 0.000 . . . . . . A 48 HIS HD2 . 34731 1 293 . 1 . 1 35 35 HIS C C 13 172.960 0.000 . . . . . . A 48 HIS C . 34731 1 294 . 1 . 1 35 35 HIS CA C 13 51.820 0.000 . . . . . . A 48 HIS CA . 34731 1 295 . 1 . 1 35 35 HIS CB C 13 29.870 0.000 . . . . . . A 48 HIS CB . 34731 1 296 . 1 . 1 35 35 HIS N N 15 123.820 0.000 . . . . . . A 48 HIS N . 34731 1 297 . 1 . 1 36 36 PRO HA H 1 4.868 0.000 . . . . . . A 49 PRO HA . 34731 1 298 . 1 . 1 36 36 PRO HB2 H 1 2.132 0.000 . . . . . . A 49 PRO HB2 . 34731 1 299 . 1 . 1 36 36 PRO HB3 H 1 2.475 0.000 . . . . . . A 49 PRO HB3 . 34731 1 300 . 1 . 1 36 36 PRO HG2 H 1 1.941 0.000 . . . . . . A 49 PRO HG2 . 34731 1 301 . 1 . 1 36 36 PRO HG3 H 1 1.799 0.000 . . . . . . A 49 PRO HG3 . 34731 1 302 . 1 . 1 36 36 PRO HD2 H 1 3.663 0.000 . . . . . . A 49 PRO HD2 . 34731 1 303 . 1 . 1 36 36 PRO HD3 H 1 3.674 0.000 . . . . . . A 49 PRO HD3 . 34731 1 304 . 1 . 1 36 36 PRO C C 13 177.060 0.000 . . . . . . A 49 PRO C . 34731 1 305 . 1 . 1 36 36 PRO CA C 13 63.050 0.000 . . . . . . A 49 PRO CA . 34731 1 306 . 1 . 1 36 36 PRO CB C 13 34.860 0.000 . . . . . . A 49 PRO CB . 34731 1 307 . 1 . 1 37 37 GLY H H 1 8.546 0.000 . . . . . . A 50 GLY H . 34731 1 308 . 1 . 1 37 37 GLY HA2 H 1 3.616 0.000 . . . . . . A 50 GLY HA2 . 34731 1 309 . 1 . 1 37 37 GLY HA3 H 1 4.529 0.000 . . . . . . A 50 GLY HA3 . 34731 1 310 . 1 . 1 37 37 GLY C C 13 175.560 0.000 . . . . . . A 50 GLY C . 34731 1 311 . 1 . 1 37 37 GLY CA C 13 46.490 0.000 . . . . . . A 50 GLY CA . 34731 1 312 . 1 . 1 37 37 GLY N N 15 110.290 0.000 . . . . . . A 50 GLY N . 34731 1 313 . 1 . 1 38 38 GLY H H 1 8.354 0.000 . . . . . . A 51 GLY H . 34731 1 314 . 1 . 1 38 38 GLY HA2 H 1 3.359 0.000 . . . . . . A 51 GLY HA2 . 34731 1 315 . 1 . 1 38 38 GLY HA3 H 1 4.013 0.000 . . . . . . A 51 GLY HA3 . 34731 1 316 . 1 . 1 38 38 GLY C C 13 173.790 0.000 . . . . . . A 51 GLY C . 34731 1 317 . 1 . 1 38 38 GLY CA C 13 46.370 0.000 . . . . . . A 51 GLY CA . 34731 1 318 . 1 . 1 38 38 GLY N N 15 108.780 0.000 . . . . . . A 51 GLY N . 34731 1 319 . 1 . 1 39 39 ASN H H 1 8.057 0.000 . . . . . . A 52 ASN H . 34731 1 320 . 1 . 1 39 39 ASN HA H 1 4.626 0.000 . . . . . . A 52 ASN HA . 34731 1 321 . 1 . 1 39 39 ASN HB2 H 1 2.679 0.000 . . . . . . A 52 ASN HB2 . 34731 1 322 . 1 . 1 39 39 ASN HB3 H 1 2.818 0.000 . . . . . . A 52 ASN HB3 . 34731 1 323 . 1 . 1 39 39 ASN HD21 H 1 7.675 0.000 . . . . . . A 52 ASN HD21 . 34731 1 324 . 1 . 1 39 39 ASN HD22 H 1 6.889 0.000 . . . . . . A 52 ASN HD22 . 34731 1 325 . 1 . 1 39 39 ASN C C 13 173.320 0.000 . . . . . . A 52 ASN C . 34731 1 326 . 1 . 1 39 39 ASN CA C 13 53.680 0.000 . . . . . . A 52 ASN CA . 34731 1 327 . 1 . 1 39 39 ASN CB C 13 38.850 0.000 . . . . . . A 52 ASN CB . 34731 1 328 . 1 . 1 39 39 ASN N N 15 117.170 0.000 . . . . . . A 52 ASN N . 34731 1 329 . 1 . 1 39 39 ASN ND2 N 15 112.600 0.000 . . . . . . A 52 ASN ND2 . 34731 1 330 . 1 . 1 40 40 ILE H H 1 8.338 0.000 . . . . . . A 53 ILE H . 34731 1 331 . 1 . 1 40 40 ILE HA H 1 5.195 0.000 . . . . . . A 53 ILE HA . 34731 1 332 . 1 . 1 40 40 ILE HB H 1 1.928 0.000 . . . . . . A 53 ILE HB . 34731 1 333 . 1 . 1 40 40 ILE HG12 H 1 1.474 0.000 . . . . . . A 53 ILE HG12 . 34731 1 334 . 1 . 1 40 40 ILE HG13 H 1 1.493 0.000 . . . . . . A 53 ILE HG13 . 34731 1 335 . 1 . 1 40 40 ILE HG21 H 1 0.851 0.000 . . . . . . A 53 ILE HG21 . 34731 1 336 . 1 . 1 40 40 ILE HG22 H 1 0.851 0.000 . . . . . . A 53 ILE HG22 . 34731 1 337 . 1 . 1 40 40 ILE HG23 H 1 0.851 0.000 . . . . . . A 53 ILE HG23 . 34731 1 338 . 1 . 1 40 40 ILE HD11 H 1 0.708 0.000 . . . . . . A 53 ILE HD11 . 34731 1 339 . 1 . 1 40 40 ILE HD12 H 1 0.708 0.000 . . . . . . A 53 ILE HD12 . 34731 1 340 . 1 . 1 40 40 ILE HD13 H 1 0.708 0.000 . . . . . . A 53 ILE HD13 . 34731 1 341 . 1 . 1 40 40 ILE C C 13 176.520 0.000 . . . . . . A 53 ILE C . 34731 1 342 . 1 . 1 40 40 ILE CA C 13 58.800 0.000 . . . . . . A 53 ILE CA . 34731 1 343 . 1 . 1 40 40 ILE CB C 13 37.640 0.000 . . . . . . A 53 ILE CB . 34731 1 344 . 1 . 1 40 40 ILE N N 15 120.630 0.000 . . . . . . A 53 ILE N . 34731 1 345 . 1 . 1 41 41 TRP H H 1 9.415 0.000 . . . . . . A 54 TRP H . 34731 1 346 . 1 . 1 41 41 TRP HA H 1 5.005 0.000 . . . . . . A 54 TRP HA . 34731 1 347 . 1 . 1 41 41 TRP HB2 H 1 3.151 0.000 . . . . . . A 54 TRP HB2 . 34731 1 348 . 1 . 1 41 41 TRP HB3 H 1 3.347 0.000 . . . . . . A 54 TRP HB3 . 34731 1 349 . 1 . 1 41 41 TRP HD1 H 1 7.720 0.000 . . . . . . A 54 TRP HD1 . 34731 1 350 . 1 . 1 41 41 TRP HE1 H 1 10.510 0.000 . . . . . . A 54 TRP HE1 . 34731 1 351 . 1 . 1 41 41 TRP HE3 H 1 7.393 0.000 . . . . . . A 54 TRP HE3 . 34731 1 352 . 1 . 1 41 41 TRP HZ2 H 1 7.277 0.000 . . . . . . A 54 TRP HZ2 . 34731 1 353 . 1 . 1 41 41 TRP HZ3 H 1 6.301 0.000 . . . . . . A 54 TRP HZ3 . 34731 1 354 . 1 . 1 41 41 TRP HH2 H 1 6.593 0.000 . . . . . . A 54 TRP HH2 . 34731 1 355 . 1 . 1 41 41 TRP C C 13 173.170 0.000 . . . . . . A 54 TRP C . 34731 1 356 . 1 . 1 41 41 TRP CA C 13 58.070 0.000 . . . . . . A 54 TRP CA . 34731 1 357 . 1 . 1 41 41 TRP CB C 13 32.690 0.000 . . . . . . A 54 TRP CB . 34731 1 358 . 1 . 1 41 41 TRP N N 15 131.300 0.000 . . . . . . A 54 TRP N . 34731 1 359 . 1 . 1 41 41 TRP NE1 N 15 130.200 0.000 . . . . . . A 54 TRP NE1 . 34731 1 360 . 1 . 1 42 42 SER H H 1 7.473 0.000 . . . . . . A 55 SER H . 34731 1 361 . 1 . 1 42 42 SER HA H 1 5.610 0.000 . . . . . . A 55 SER HA . 34731 1 362 . 1 . 1 42 42 SER HB2 H 1 3.476 0.000 . . . . . . A 55 SER HB2 . 34731 1 363 . 1 . 1 42 42 SER HB3 H 1 3.497 0.000 . . . . . . A 55 SER HB3 . 34731 1 364 . 1 . 1 42 42 SER C C 13 172.010 0.000 . . . . . . A 55 SER C . 34731 1 365 . 1 . 1 42 42 SER CA C 13 55.400 0.000 . . . . . . A 55 SER CA . 34731 1 366 . 1 . 1 42 42 SER CB C 13 66.500 0.000 . . . . . . A 55 SER CB . 34731 1 367 . 1 . 1 42 42 SER N N 15 119.970 0.000 . . . . . . A 55 SER N . 34731 1 368 . 1 . 1 43 43 THR H H 1 8.158 0.000 . . . . . . A 56 THR H . 34731 1 369 . 1 . 1 43 43 THR HA H 1 4.286 0.000 . . . . . . A 56 THR HA . 34731 1 370 . 1 . 1 43 43 THR HB H 1 5.219 0.000 . . . . . . A 56 THR HB . 34731 1 371 . 1 . 1 43 43 THR HG21 H 1 0.732 0.000 . . . . . . A 56 THR HG21 . 34731 1 372 . 1 . 1 43 43 THR HG22 H 1 0.732 0.000 . . . . . . A 56 THR HG22 . 34731 1 373 . 1 . 1 43 43 THR HG23 H 1 0.732 0.000 . . . . . . A 56 THR HG23 . 34731 1 374 . 1 . 1 43 43 THR C C 13 171.110 0.000 . . . . . . A 56 THR C . 34731 1 375 . 1 . 1 43 43 THR CA C 13 59.980 0.000 . . . . . . A 56 THR CA . 34731 1 376 . 1 . 1 43 43 THR CB C 13 69.630 0.000 . . . . . . A 56 THR CB . 34731 1 377 . 1 . 1 43 43 THR N N 15 114.270 0.000 . . . . . . A 56 THR N . 34731 1 378 . 1 . 1 44 44 LYS H H 1 7.909 0.000 . . . . . . A 57 LYS H . 34731 1 379 . 1 . 1 44 44 LYS HA H 1 4.877 0.000 . . . . . . A 57 LYS HA . 34731 1 380 . 1 . 1 44 44 LYS HB2 H 1 1.635 0.000 . . . . . . A 57 LYS HB2 . 34731 1 381 . 1 . 1 44 44 LYS HB3 H 1 1.722 0.000 . . . . . . A 57 LYS HB3 . 34731 1 382 . 1 . 1 44 44 LYS HG2 H 1 1.401 0.000 . . . . . . A 57 LYS HG2 . 34731 1 383 . 1 . 1 44 44 LYS HG3 H 1 1.424 0.000 . . . . . . A 57 LYS HG3 . 34731 1 384 . 1 . 1 44 44 LYS HD2 H 1 1.575 0.000 . . . . . . A 57 LYS HD2 . 34731 1 385 . 1 . 1 44 44 LYS HD3 H 1 1.575 0.000 . . . . . . A 57 LYS HD3 . 34731 1 386 . 1 . 1 44 44 LYS C C 13 177.290 0.000 . . . . . . A 57 LYS C . 34731 1 387 . 1 . 1 44 44 LYS CA C 13 56.430 0.000 . . . . . . A 57 LYS CA . 34731 1 388 . 1 . 1 44 44 LYS CB C 13 34.310 0.000 . . . . . . A 57 LYS CB . 34731 1 389 . 1 . 1 44 44 LYS N N 15 127.360 0.000 . . . . . . A 57 LYS N . 34731 1 390 . 1 . 1 45 45 LYS H H 1 9.112 0.000 . . . . . . A 58 LYS H . 34731 1 391 . 1 . 1 45 45 LYS HA H 1 3.809 0.000 . . . . . . A 58 LYS HA . 34731 1 392 . 1 . 1 45 45 LYS HB2 H 1 1.654 0.000 . . . . . . A 58 LYS HB2 . 34731 1 393 . 1 . 1 45 45 LYS HB3 H 1 1.699 0.000 . . . . . . A 58 LYS HB3 . 34731 1 394 . 1 . 1 45 45 LYS HG2 H 1 1.353 0.000 . . . . . . A 58 LYS HG2 . 34731 1 395 . 1 . 1 45 45 LYS HG3 H 1 1.455 0.000 . . . . . . A 58 LYS HG3 . 34731 1 396 . 1 . 1 45 45 LYS HD2 H 1 1.188 0.000 . . . . . . A 58 LYS HD2 . 34731 1 397 . 1 . 1 45 45 LYS HD3 H 1 1.188 0.000 . . . . . . A 58 LYS HD3 . 34731 1 398 . 1 . 1 45 45 LYS N N 15 127.900 0.000 . . . . . . A 58 LYS N . 34731 1 399 . 1 . 1 46 46 GLY H H 1 9.001 0.000 . . . . . . A 59 GLY H . 34731 1 400 . 1 . 1 46 46 GLY HA2 H 1 3.643 0.000 . . . . . . A 59 GLY HA2 . 34731 1 401 . 1 . 1 46 46 GLY HA3 H 1 4.030 0.000 . . . . . . A 59 GLY HA3 . 34731 1 402 . 1 . 1 46 46 GLY C C 13 173.310 0.000 . . . . . . A 59 GLY C . 34731 1 403 . 1 . 1 46 46 GLY CA C 13 46.200 0.000 . . . . . . A 59 GLY CA . 34731 1 404 . 1 . 1 46 46 GLY N N 15 109.630 0.000 . . . . . . A 59 GLY N . 34731 1 405 . 1 . 1 47 47 GLU H H 1 7.205 0.000 . . . . . . A 60 GLU H . 34731 1 406 . 1 . 1 47 47 GLU HA H 1 4.619 0.000 . . . . . . A 60 GLU HA . 34731 1 407 . 1 . 1 47 47 GLU HB2 H 1 1.704 0.000 . . . . . . A 60 GLU HB2 . 34731 1 408 . 1 . 1 47 47 GLU HB3 H 1 2.049 0.000 . . . . . . A 60 GLU HB3 . 34731 1 409 . 1 . 1 47 47 GLU HG2 H 1 2.189 0.000 . . . . . . A 60 GLU HG2 . 34731 1 410 . 1 . 1 47 47 GLU HG3 H 1 2.238 0.000 . . . . . . A 60 GLU HG3 . 34731 1 411 . 1 . 1 47 47 GLU C C 13 175.180 0.000 . . . . . . A 60 GLU C . 34731 1 412 . 1 . 1 47 47 GLU CA C 13 54.210 0.000 . . . . . . A 60 GLU CA . 34731 1 413 . 1 . 1 47 47 GLU CB C 13 32.440 0.000 . . . . . . A 60 GLU CB . 34731 1 414 . 1 . 1 47 47 GLU N N 15 117.790 0.000 . . . . . . A 60 GLU N . 34731 1 415 . 1 . 1 48 48 GLN H H 1 8.755 0.000 . . . . . . A 61 GLN H . 34731 1 416 . 1 . 1 48 48 GLN HA H 1 4.059 0.000 . . . . . . A 61 GLN HA . 34731 1 417 . 1 . 1 48 48 GLN HB2 H 1 1.864 0.000 . . . . . . A 61 GLN HB2 . 34731 1 418 . 1 . 1 48 48 GLN HB3 H 1 1.924 0.000 . . . . . . A 61 GLN HB3 . 34731 1 419 . 1 . 1 48 48 GLN HG2 H 1 2.041 0.000 . . . . . . A 61 GLN HG2 . 34731 1 420 . 1 . 1 48 48 GLN HG3 H 1 2.149 0.000 . . . . . . A 61 GLN HG3 . 34731 1 421 . 1 . 1 48 48 GLN HE21 H 1 7.162 0.000 . . . . . . A 61 GLN HE21 . 34731 1 422 . 1 . 1 48 48 GLN HE22 H 1 6.593 0.000 . . . . . . A 61 GLN HE22 . 34731 1 423 . 1 . 1 48 48 GLN C C 13 174.290 0.000 . . . . . . A 61 GLN C . 34731 1 424 . 1 . 1 48 48 GLN CA C 13 57.300 0.000 . . . . . . A 61 GLN CA . 34731 1 425 . 1 . 1 48 48 GLN CB C 13 28.600 0.000 . . . . . . A 61 GLN CB . 34731 1 426 . 1 . 1 48 48 GLN N N 15 126.010 0.000 . . . . . . A 61 GLN N . 34731 1 427 . 1 . 1 48 48 GLN NE2 N 15 111.800 0.000 . . . . . . A 61 GLN NE2 . 34731 1 428 . 1 . 1 49 49 ALA H H 1 8.860 0.000 . . . . . . A 62 ALA H . 34731 1 429 . 1 . 1 49 49 ALA HA H 1 4.721 0.000 . . . . . . A 62 ALA HA . 34731 1 430 . 1 . 1 49 49 ALA HB1 H 1 1.478 0.000 . . . . . . A 62 ALA HB1 . 34731 1 431 . 1 . 1 49 49 ALA HB2 H 1 1.478 0.000 . . . . . . A 62 ALA HB2 . 34731 1 432 . 1 . 1 49 49 ALA HB3 H 1 1.478 0.000 . . . . . . A 62 ALA HB3 . 34731 1 433 . 1 . 1 49 49 ALA C C 13 175.150 0.000 . . . . . . A 62 ALA C . 34731 1 434 . 1 . 1 49 49 ALA CA C 13 50.690 0.000 . . . . . . A 62 ALA CA . 34731 1 435 . 1 . 1 49 49 ALA CB C 13 23.050 0.000 . . . . . . A 62 ALA CB . 34731 1 436 . 1 . 1 49 49 ALA N N 15 131.030 0.000 . . . . . . A 62 ALA N . 34731 1 437 . 1 . 1 50 50 TRP H H 1 8.452 0.000 . . . . . . A 63 TRP H . 34731 1 438 . 1 . 1 50 50 TRP HA H 1 5.451 0.000 . . . . . . A 63 TRP HA . 34731 1 439 . 1 . 1 50 50 TRP HB2 H 1 2.875 0.000 . . . . . . A 63 TRP HB2 . 34731 1 440 . 1 . 1 50 50 TRP HB3 H 1 3.135 0.000 . . . . . . A 63 TRP HB3 . 34731 1 441 . 1 . 1 50 50 TRP HD1 H 1 7.184 0.000 . . . . . . A 63 TRP HD1 . 34731 1 442 . 1 . 1 50 50 TRP HE1 H 1 10.230 0.000 . . . . . . A 63 TRP HE1 . 34731 1 443 . 1 . 1 50 50 TRP HE3 H 1 7.462 0.000 . . . . . . A 63 TRP HE3 . 34731 1 444 . 1 . 1 50 50 TRP HZ2 H 1 7.510 0.000 . . . . . . A 63 TRP HZ2 . 34731 1 445 . 1 . 1 50 50 TRP HZ3 H 1 7.116 0.000 . . . . . . A 63 TRP HZ3 . 34731 1 446 . 1 . 1 50 50 TRP HH2 H 1 7.266 0.000 . . . . . . A 63 TRP HH2 . 34731 1 447 . 1 . 1 50 50 TRP C C 13 175.790 0.000 . . . . . . A 63 TRP C . 34731 1 448 . 1 . 1 50 50 TRP CA C 13 56.260 0.000 . . . . . . A 63 TRP CA . 34731 1 449 . 1 . 1 50 50 TRP CB C 13 31.940 0.000 . . . . . . A 63 TRP CB . 34731 1 450 . 1 . 1 50 50 TRP N N 15 116.940 0.000 . . . . . . A 63 TRP N . 34731 1 451 . 1 . 1 50 50 TRP NE1 N 15 129.200 0.000 . . . . . . A 63 TRP NE1 . 34731 1 452 . 1 . 1 51 51 PHE H H 1 9.579 0.000 . . . . . . A 64 PHE H . 34731 1 453 . 1 . 1 51 51 PHE HA H 1 4.744 0.000 . . . . . . A 64 PHE HA . 34731 1 454 . 1 . 1 51 51 PHE HB2 H 1 2.644 0.000 . . . . . . A 64 PHE HB2 . 34731 1 455 . 1 . 1 51 51 PHE HB3 H 1 3.048 0.000 . . . . . . A 64 PHE HB3 . 34731 1 456 . 1 . 1 51 51 PHE HD1 H 1 6.182 0.000 . . . . . . A 64 PHE HD1 . 34731 1 457 . 1 . 1 51 51 PHE HD2 H 1 6.182 0.000 . . . . . . A 64 PHE HD2 . 34731 1 458 . 1 . 1 51 51 PHE HE1 H 1 6.712 0.000 . . . . . . A 64 PHE HE1 . 34731 1 459 . 1 . 1 51 51 PHE HE2 H 1 6.712 0.000 . . . . . . A 64 PHE HE2 . 34731 1 460 . 1 . 1 51 51 PHE HZ H 1 6.961 0.000 . . . . . . A 64 PHE HZ . 34731 1 461 . 1 . 1 51 51 PHE C C 13 174.740 0.000 . . . . . . A 64 PHE C . 34731 1 462 . 1 . 1 51 51 PHE CA C 13 57.810 0.000 . . . . . . A 64 PHE CA . 34731 1 463 . 1 . 1 51 51 PHE CB C 13 41.170 0.000 . . . . . . A 64 PHE CB . 34731 1 464 . 1 . 1 51 51 PHE N N 15 125.610 0.000 . . . . . . A 64 PHE N . 34731 1 465 . 1 . 1 52 52 ARG H H 1 8.185 0.000 . . . . . . A 65 ARG H . 34731 1 466 . 1 . 1 52 52 ARG HA H 1 4.909 0.000 . . . . . . A 65 ARG HA . 34731 1 467 . 1 . 1 52 52 ARG HB2 H 1 1.587 0.000 . . . . . . A 65 ARG HB2 . 34731 1 468 . 1 . 1 52 52 ARG HB3 H 1 1.734 0.000 . . . . . . A 65 ARG HB3 . 34731 1 469 . 1 . 1 52 52 ARG HG2 H 1 1.388 0.000 . . . . . . A 65 ARG HG2 . 34731 1 470 . 1 . 1 52 52 ARG HG3 H 1 1.407 0.000 . . . . . . A 65 ARG HG3 . 34731 1 471 . 1 . 1 52 52 ARG HD2 H 1 3.166 0.000 . . . . . . A 65 ARG HD2 . 34731 1 472 . 1 . 1 52 52 ARG HD3 H 1 3.178 0.000 . . . . . . A 65 ARG HD3 . 34731 1 473 . 1 . 1 52 52 ARG HE H 1 7.276 0.000 . . . . . . A 65 ARG HE . 34731 1 474 . 1 . 1 52 52 ARG C C 13 174.710 0.000 . . . . . . A 65 ARG C . 34731 1 475 . 1 . 1 52 52 ARG CA C 13 55.470 0.000 . . . . . . A 65 ARG CA . 34731 1 476 . 1 . 1 52 52 ARG CB C 13 32.090 0.000 . . . . . . A 65 ARG CB . 34731 1 477 . 1 . 1 52 52 ARG N N 15 128.460 0.000 . . . . . . A 65 ARG N . 34731 1 478 . 1 . 1 53 53 ARG H H 1 8.247 0.000 . . . . . . A 66 ARG H . 34731 1 479 . 1 . 1 53 53 ARG HA H 1 4.342 0.000 . . . . . . A 66 ARG HA . 34731 1 480 . 1 . 1 53 53 ARG HB2 H 1 1.699 0.000 . . . . . . A 66 ARG HB2 . 34731 1 481 . 1 . 1 53 53 ARG HB3 H 1 2.035 0.000 . . . . . . A 66 ARG HB3 . 34731 1 482 . 1 . 1 53 53 ARG HG2 H 1 1.574 0.000 . . . . . . A 66 ARG HG2 . 34731 1 483 . 1 . 1 53 53 ARG HG3 H 1 1.618 0.000 . . . . . . A 66 ARG HG3 . 34731 1 484 . 1 . 1 53 53 ARG HD2 H 1 3.219 0.000 . . . . . . A 66 ARG HD2 . 34731 1 485 . 1 . 1 53 53 ARG HD3 H 1 3.237 0.000 . . . . . . A 66 ARG HD3 . 34731 1 486 . 1 . 1 53 53 ARG HE H 1 7.175 0.000 . . . . . . A 66 ARG HE . 34731 1 487 . 1 . 1 53 53 ARG C C 13 174.930 0.000 . . . . . . A 66 ARG C . 34731 1 488 . 1 . 1 53 53 ARG CA C 13 55.270 0.000 . . . . . . A 66 ARG CA . 34731 1 489 . 1 . 1 53 53 ARG CB C 13 32.640 0.000 . . . . . . A 66 ARG CB . 34731 1 490 . 1 . 1 53 53 ARG N N 15 122.770 0.000 . . . . . . A 66 ARG N . 34731 1 491 . 1 . 1 54 54 ARG H H 1 8.997 0.000 . . . . . . A 67 ARG H . 34731 1 492 . 1 . 1 54 54 ARG HA H 1 3.590 0.000 . . . . . . A 67 ARG HA . 34731 1 493 . 1 . 1 54 54 ARG HB2 H 1 1.682 0.000 . . . . . . A 67 ARG HB2 . 34731 1 494 . 1 . 1 54 54 ARG HB3 H 1 1.883 0.000 . . . . . . A 67 ARG HB3 . 34731 1 495 . 1 . 1 54 54 ARG HG2 H 1 1.241 0.000 . . . . . . A 67 ARG HG2 . 34731 1 496 . 1 . 1 54 54 ARG HG3 H 1 1.383 0.000 . . . . . . A 67 ARG HG3 . 34731 1 497 . 1 . 1 54 54 ARG HD2 H 1 3.110 0.000 . . . . . . A 67 ARG HD2 . 34731 1 498 . 1 . 1 54 54 ARG HD3 H 1 3.125 0.000 . . . . . . A 67 ARG HD3 . 34731 1 499 . 1 . 1 54 54 ARG HE H 1 7.117 0.000 . . . . . . A 67 ARG HE . 34731 1 500 . 1 . 1 54 54 ARG C C 13 175.840 0.000 . . . . . . A 67 ARG C . 34731 1 501 . 1 . 1 54 54 ARG CA C 13 59.020 0.000 . . . . . . A 67 ARG CA . 34731 1 502 . 1 . 1 54 54 ARG CB C 13 28.250 0.000 . . . . . . A 67 ARG CB . 34731 1 503 . 1 . 1 54 54 ARG N N 15 125.230 0.000 . . . . . . A 67 ARG N . 34731 1 504 . 1 . 1 55 55 PHE H H 1 8.246 0.000 . . . . . . A 68 PHE H . 34731 1 505 . 1 . 1 55 55 PHE HA H 1 4.769 0.000 . . . . . . A 68 PHE HA . 34731 1 506 . 1 . 1 55 55 PHE HB2 H 1 3.066 0.000 . . . . . . A 68 PHE HB2 . 34731 1 507 . 1 . 1 55 55 PHE HB3 H 1 3.474 0.000 . . . . . . A 68 PHE HB3 . 34731 1 508 . 1 . 1 55 55 PHE HD1 H 1 7.298 0.000 . . . . . . A 68 PHE HD1 . 34731 1 509 . 1 . 1 55 55 PHE HD2 H 1 7.298 0.000 . . . . . . A 68 PHE HD2 . 34731 1 510 . 1 . 1 55 55 PHE HE1 H 1 7.376 0.000 . . . . . . A 68 PHE HE1 . 34731 1 511 . 1 . 1 55 55 PHE HE2 H 1 7.376 0.000 . . . . . . A 68 PHE HE2 . 34731 1 512 . 1 . 1 55 55 PHE C C 13 175.650 0.000 . . . . . . A 68 PHE C . 34731 1 513 . 1 . 1 55 55 PHE CA C 13 57.710 0.000 . . . . . . A 68 PHE CA . 34731 1 514 . 1 . 1 55 55 PHE CB C 13 38.700 0.000 . . . . . . A 68 PHE CB . 34731 1 515 . 1 . 1 55 55 PHE N N 15 118.690 0.000 . . . . . . A 68 PHE N . 34731 1 516 . 1 . 1 56 56 SER H H 1 8.001 0.000 . . . . . . A 69 SER H . 34731 1 517 . 1 . 1 56 56 SER HA H 1 4.703 0.000 . . . . . . A 69 SER HA . 34731 1 518 . 1 . 1 56 56 SER HB2 H 1 3.735 0.000 . . . . . . A 69 SER HB2 . 34731 1 519 . 1 . 1 56 56 SER HB3 H 1 3.838 0.000 . . . . . . A 69 SER HB3 . 34731 1 520 . 1 . 1 56 56 SER C C 13 172.170 0.000 . . . . . . A 69 SER C . 34731 1 521 . 1 . 1 56 56 SER CA C 13 58.320 0.000 . . . . . . A 69 SER CA . 34731 1 522 . 1 . 1 56 56 SER CB C 13 65.540 0.000 . . . . . . A 69 SER CB . 34731 1 523 . 1 . 1 56 56 SER N N 15 116.280 0.000 . . . . . . A 69 SER N . 34731 1 524 . 1 . 1 57 57 LYS H H 1 8.317 0.000 . . . . . . A 70 LYS H . 34731 1 525 . 1 . 1 57 57 LYS HA H 1 5.230 0.000 . . . . . . A 70 LYS HA . 34731 1 526 . 1 . 1 57 57 LYS HB2 H 1 1.626 0.000 . . . . . . A 70 LYS HB2 . 34731 1 527 . 1 . 1 57 57 LYS HB3 H 1 1.727 0.000 . . . . . . A 70 LYS HB3 . 34731 1 528 . 1 . 1 57 57 LYS HG2 H 1 0.971 0.000 . . . . . . A 70 LYS HG2 . 34731 1 529 . 1 . 1 57 57 LYS HG3 H 1 0.986 0.000 . . . . . . A 70 LYS HG3 . 34731 1 530 . 1 . 1 57 57 LYS HD2 H 1 1.245 0.000 . . . . . . A 70 LYS HD2 . 34731 1 531 . 1 . 1 57 57 LYS HD3 H 1 1.260 0.000 . . . . . . A 70 LYS HD3 . 34731 1 532 . 1 . 1 57 57 LYS HE2 H 1 2.356 0.000 . . . . . . A 70 LYS HE2 . 34731 1 533 . 1 . 1 57 57 LYS HE3 H 1 2.356 0.000 . . . . . . A 70 LYS HE3 . 34731 1 534 . 1 . 1 57 57 LYS C C 13 174.690 0.000 . . . . . . A 70 LYS C . 34731 1 535 . 1 . 1 57 57 LYS CA C 13 55.180 0.000 . . . . . . A 70 LYS CA . 34731 1 536 . 1 . 1 57 57 LYS CB C 13 35.820 0.000 . . . . . . A 70 LYS CB . 34731 1 537 . 1 . 1 57 57 LYS N N 15 120.920 0.000 . . . . . . A 70 LYS N . 34731 1 538 . 1 . 1 58 58 TYR H H 1 9.283 0.000 . . . . . . A 71 TYR H . 34731 1 539 . 1 . 1 58 58 TYR HA H 1 4.849 0.000 . . . . . . A 71 TYR HA . 34731 1 540 . 1 . 1 58 58 TYR HB2 H 1 3.481 0.000 . . . . . . A 71 TYR HB2 . 34731 1 541 . 1 . 1 58 58 TYR HB3 H 1 3.274 0.000 . . . . . . A 71 TYR HB3 . 34731 1 542 . 1 . 1 58 58 TYR HD1 H 1 7.220 0.000 . . . . . . A 71 TYR HD1 . 34731 1 543 . 1 . 1 58 58 TYR HD2 H 1 7.220 0.000 . . . . . . A 71 TYR HD2 . 34731 1 544 . 1 . 1 58 58 TYR HE1 H 1 6.672 0.000 . . . . . . A 71 TYR HE1 . 34731 1 545 . 1 . 1 58 58 TYR HE2 H 1 6.672 0.000 . . . . . . A 71 TYR HE2 . 34731 1 546 . 1 . 1 58 58 TYR C C 13 174.710 0.000 . . . . . . A 71 TYR C . 34731 1 547 . 1 . 1 58 58 TYR CA C 13 57.570 0.000 . . . . . . A 71 TYR CA . 34731 1 548 . 1 . 1 58 58 TYR CB C 13 40.970 0.000 . . . . . . A 71 TYR CB . 34731 1 549 . 1 . 1 58 58 TYR N N 15 121.360 0.000 . . . . . . A 71 TYR N . 34731 1 550 . 1 . 1 59 59 GLU H H 1 8.917 0.000 . . . . . . A 72 GLU H . 34731 1 551 . 1 . 1 59 59 GLU HA H 1 4.204 0.000 . . . . . . A 72 GLU HA . 34731 1 552 . 1 . 1 59 59 GLU HB2 H 1 1.716 0.000 . . . . . . A 72 GLU HB2 . 34731 1 553 . 1 . 1 59 59 GLU HB3 H 1 1.803 0.000 . . . . . . A 72 GLU HB3 . 34731 1 554 . 1 . 1 59 59 GLU HG2 H 1 2.020 0.000 . . . . . . A 72 GLU HG2 . 34731 1 555 . 1 . 1 59 59 GLU HG3 H 1 2.042 0.000 . . . . . . A 72 GLU HG3 . 34731 1 556 . 1 . 1 59 59 GLU C C 13 175.710 0.000 . . . . . . A 72 GLU C . 34731 1 557 . 1 . 1 59 59 GLU CA C 13 57.160 0.000 . . . . . . A 72 GLU CA . 34731 1 558 . 1 . 1 59 59 GLU CB C 13 29.770 0.000 . . . . . . A 72 GLU CB . 34731 1 559 . 1 . 1 59 59 GLU N N 15 127.720 0.000 . . . . . . A 72 GLU N . 34731 1 560 . 1 . 1 60 60 VAL H H 1 8.635 0.000 . . . . . . A 73 VAL H . 34731 1 561 . 1 . 1 60 60 VAL HA H 1 4.343 0.000 . . . . . . A 73 VAL HA . 34731 1 562 . 1 . 1 60 60 VAL HB H 1 1.476 0.000 . . . . . . A 73 VAL HB . 34731 1 563 . 1 . 1 60 60 VAL HG11 H 1 0.456 0.000 . . . . . . A 73 VAL HG11 . 34731 1 564 . 1 . 1 60 60 VAL HG12 H 1 0.456 0.000 . . . . . . A 73 VAL HG12 . 34731 1 565 . 1 . 1 60 60 VAL HG13 H 1 0.456 0.000 . . . . . . A 73 VAL HG13 . 34731 1 566 . 1 . 1 60 60 VAL HG21 H 1 -0.830 0.000 . . . . . . A 73 VAL HG21 . 34731 1 567 . 1 . 1 60 60 VAL HG22 H 1 -0.830 0.000 . . . . . . A 73 VAL HG22 . 34731 1 568 . 1 . 1 60 60 VAL HG23 H 1 -0.830 0.000 . . . . . . A 73 VAL HG23 . 34731 1 569 . 1 . 1 60 60 VAL C C 13 170.090 0.000 . . . . . . A 73 VAL C . 34731 1 570 . 1 . 1 60 60 VAL CA C 13 59.810 0.000 . . . . . . A 73 VAL CA . 34731 1 571 . 1 . 1 60 60 VAL CB C 13 34.560 0.000 . . . . . . A 73 VAL CB . 34731 1 572 . 1 . 1 60 60 VAL N N 15 125.760 0.000 . . . . . . A 73 VAL N . 34731 1 573 . 1 . 1 61 61 MET H H 1 7.514 0.000 . . . . . . A 74 MET H . 34731 1 574 . 1 . 1 61 61 MET HA H 1 4.496 0.000 . . . . . . A 74 MET HA . 34731 1 575 . 1 . 1 61 61 MET HB2 H 1 1.617 0.000 . . . . . . A 74 MET HB2 . 34731 1 576 . 1 . 1 61 61 MET HB3 H 1 1.838 0.000 . . . . . . A 74 MET HB3 . 34731 1 577 . 1 . 1 61 61 MET HG2 H 1 2.098 0.000 . . . . . . A 74 MET HG2 . 34731 1 578 . 1 . 1 61 61 MET HG3 H 1 1.965 0.000 . . . . . . A 74 MET HG3 . 34731 1 579 . 1 . 1 61 61 MET C C 13 173.860 0.000 . . . . . . A 74 MET C . 34731 1 580 . 1 . 1 61 61 MET CA C 13 54.330 0.000 . . . . . . A 74 MET CA . 34731 1 581 . 1 . 1 61 61 MET CB C 13 37.080 0.000 . . . . . . A 74 MET CB . 34731 1 582 . 1 . 1 61 61 MET N N 15 123.200 0.000 . . . . . . A 74 MET N . 34731 1 583 . 1 . 1 62 62 ALA H H 1 8.058 0.000 . . . . . . A 75 ALA H . 34731 1 584 . 1 . 1 62 62 ALA HA H 1 5.046 0.000 . . . . . . A 75 ALA HA . 34731 1 585 . 1 . 1 62 62 ALA HB1 H 1 1.182 0.000 . . . . . . A 75 ALA HB1 . 34731 1 586 . 1 . 1 62 62 ALA HB2 H 1 1.182 0.000 . . . . . . A 75 ALA HB2 . 34731 1 587 . 1 . 1 62 62 ALA HB3 H 1 1.182 0.000 . . . . . . A 75 ALA HB3 . 34731 1 588 . 1 . 1 62 62 ALA C C 13 177.050 0.000 . . . . . . A 75 ALA C . 34731 1 589 . 1 . 1 62 62 ALA CA C 13 50.380 0.000 . . . . . . A 75 ALA CA . 34731 1 590 . 1 . 1 62 62 ALA CB C 13 20.780 0.000 . . . . . . A 75 ALA CB . 34731 1 591 . 1 . 1 62 62 ALA N N 15 127.560 0.000 . . . . . . A 75 ALA N . 34731 1 592 . 1 . 1 63 63 TYR H H 1 8.140 0.000 . . . . . . A 76 TYR H . 34731 1 593 . 1 . 1 63 63 TYR HA H 1 4.543 0.000 . . . . . . A 76 TYR HA . 34731 1 594 . 1 . 1 63 63 TYR HB2 H 1 2.942 0.000 . . . . . . A 76 TYR HB2 . 34731 1 595 . 1 . 1 63 63 TYR HB3 H 1 3.228 0.000 . . . . . . A 76 TYR HB3 . 34731 1 596 . 1 . 1 63 63 TYR HD1 H 1 7.078 0.000 . . . . . . A 76 TYR HD1 . 34731 1 597 . 1 . 1 63 63 TYR HD2 H 1 7.078 0.000 . . . . . . A 76 TYR HD2 . 34731 1 598 . 1 . 1 63 63 TYR HE1 H 1 6.654 0.000 . . . . . . A 76 TYR HE1 . 34731 1 599 . 1 . 1 63 63 TYR HE2 H 1 6.654 0.000 . . . . . . A 76 TYR HE2 . 34731 1 600 . 1 . 1 63 63 TYR CA C 13 57.010 0.000 . . . . . . A 76 TYR CA . 34731 1 601 . 1 . 1 63 63 TYR N N 15 121.380 0.000 . . . . . . A 76 TYR N . 34731 1 602 . 1 . 1 64 64 ASP H H 1 8.371 0.000 . . . . . . A 77 ASP H . 34731 1 603 . 1 . 1 64 64 ASP HA H 1 4.182 0.000 . . . . . . A 77 ASP HA . 34731 1 604 . 1 . 1 64 64 ASP HB2 H 1 2.678 0.000 . . . . . . A 77 ASP HB2 . 34731 1 605 . 1 . 1 64 64 ASP HB3 H 1 2.693 0.000 . . . . . . A 77 ASP HB3 . 34731 1 606 . 1 . 1 64 64 ASP N N 15 118.870 0.000 . . . . . . A 77 ASP N . 34731 1 607 . 1 . 1 65 65 ARG HB2 H 1 1.909 0.000 . . . . . . A 78 ARG HB2 . 34731 1 608 . 1 . 1 65 65 ARG HB3 H 1 1.945 0.000 . . . . . . A 78 ARG HB3 . 34731 1 609 . 1 . 1 65 65 ARG HG2 H 1 1.561 0.000 . . . . . . A 78 ARG HG2 . 34731 1 610 . 1 . 1 65 65 ARG HG3 H 1 1.702 0.000 . . . . . . A 78 ARG HG3 . 34731 1 611 . 1 . 1 65 65 ARG HD2 H 1 3.213 0.000 . . . . . . A 78 ARG HD2 . 34731 1 612 . 1 . 1 65 65 ARG HD3 H 1 3.243 0.000 . . . . . . A 78 ARG HD3 . 34731 1 613 . 1 . 1 65 65 ARG HE H 1 7.477 0.000 . . . . . . A 78 ARG HE . 34731 1 614 . 1 . 1 67 67 ASN HA H 1 4.579 0.000 . . . . . . A 80 ASN HA . 34731 1 615 . 1 . 1 67 67 ASN HB2 H 1 2.437 0.000 . . . . . . A 80 ASN HB2 . 34731 1 616 . 1 . 1 67 67 ASN HB3 H 1 2.555 0.000 . . . . . . A 80 ASN HB3 . 34731 1 617 . 1 . 1 67 67 ASN HD21 H 1 7.520 0.000 . . . . . . A 80 ASN HD21 . 34731 1 618 . 1 . 1 67 67 ASN HD22 H 1 6.749 0.000 . . . . . . A 80 ASN HD22 . 34731 1 619 . 1 . 1 67 67 ASN C C 13 173.620 0.000 . . . . . . A 80 ASN C . 34731 1 620 . 1 . 1 67 67 ASN CA C 13 54.020 0.000 . . . . . . A 80 ASN CA . 34731 1 621 . 1 . 1 67 67 ASN CB C 13 36.980 0.000 . . . . . . A 80 ASN CB . 34731 1 622 . 1 . 1 67 67 ASN ND2 N 15 114.600 0.000 . . . . . . A 80 ASN ND2 . 34731 1 623 . 1 . 1 68 68 LEU H H 1 8.347 0.000 . . . . . . A 81 LEU H . 34731 1 624 . 1 . 1 68 68 LEU HA H 1 4.547 0.000 . . . . . . A 81 LEU HA . 34731 1 625 . 1 . 1 68 68 LEU HB2 H 1 0.163 0.000 . . . . . . A 81 LEU HB2 . 34731 1 626 . 1 . 1 68 68 LEU HB3 H 1 1.439 0.000 . . . . . . A 81 LEU HB3 . 34731 1 627 . 1 . 1 68 68 LEU HG H 1 1.260 0.000 . . . . . . A 81 LEU HG . 34731 1 628 . 1 . 1 68 68 LEU HD11 H 1 0.001 0.000 . . . . . . A 81 LEU HD11 . 34731 1 629 . 1 . 1 68 68 LEU HD12 H 1 0.001 0.000 . . . . . . A 81 LEU HD12 . 34731 1 630 . 1 . 1 68 68 LEU HD13 H 1 0.001 0.000 . . . . . . A 81 LEU HD13 . 34731 1 631 . 1 . 1 68 68 LEU HD21 H 1 0.240 0.000 . . . . . . A 81 LEU HD21 . 34731 1 632 . 1 . 1 68 68 LEU HD22 H 1 0.240 0.000 . . . . . . A 81 LEU HD22 . 34731 1 633 . 1 . 1 68 68 LEU HD23 H 1 0.240 0.000 . . . . . . A 81 LEU HD23 . 34731 1 634 . 1 . 1 68 68 LEU C C 13 176.720 0.000 . . . . . . A 81 LEU C . 34731 1 635 . 1 . 1 68 68 LEU CA C 13 54.020 0.000 . . . . . . A 81 LEU CA . 34731 1 636 . 1 . 1 68 68 LEU CB C 13 43.290 0.000 . . . . . . A 81 LEU CB . 34731 1 637 . 1 . 1 68 68 LEU N N 15 122.520 0.000 . . . . . . A 81 LEU N . 34731 1 638 . 1 . 1 69 69 GLU H H 1 8.604 0.000 . . . . . . A 82 GLU H . 34731 1 639 . 1 . 1 69 69 GLU HA H 1 4.611 0.000 . . . . . . A 82 GLU HA . 34731 1 640 . 1 . 1 69 69 GLU HB2 H 1 1.809 0.000 . . . . . . A 82 GLU HB2 . 34731 1 641 . 1 . 1 69 69 GLU HB3 H 1 1.960 0.000 . . . . . . A 82 GLU HB3 . 34731 1 642 . 1 . 1 69 69 GLU HG2 H 1 2.098 0.000 . . . . . . A 82 GLU HG2 . 34731 1 643 . 1 . 1 69 69 GLU HG3 H 1 2.124 0.000 . . . . . . A 82 GLU HG3 . 34731 1 644 . 1 . 1 69 69 GLU C C 13 175.150 0.000 . . . . . . A 82 GLU C . 34731 1 645 . 1 . 1 69 69 GLU CA C 13 54.310 0.000 . . . . . . A 82 GLU CA . 34731 1 646 . 1 . 1 69 69 GLU CB C 13 30.830 0.000 . . . . . . A 82 GLU CB . 34731 1 647 . 1 . 1 69 69 GLU N N 15 123.190 0.000 . . . . . . A 82 GLU N . 34731 1 648 . 1 . 1 70 70 TRP H H 1 8.682 0.000 . . . . . . A 83 TRP H . 34731 1 649 . 1 . 1 70 70 TRP HA H 1 4.523 0.000 . . . . . . A 83 TRP HA . 34731 1 650 . 1 . 1 70 70 TRP HB2 H 1 3.166 0.000 . . . . . . A 83 TRP HB2 . 34731 1 651 . 1 . 1 70 70 TRP HB3 H 1 2.934 0.000 . . . . . . A 83 TRP HB3 . 34731 1 652 . 1 . 1 70 70 TRP HD1 H 1 7.153 0.000 . . . . . . A 83 TRP HD1 . 34731 1 653 . 1 . 1 70 70 TRP HE1 H 1 9.684 0.000 . . . . . . A 83 TRP HE1 . 34731 1 654 . 1 . 1 70 70 TRP HE3 H 1 7.550 0.000 . . . . . . A 83 TRP HE3 . 34731 1 655 . 1 . 1 70 70 TRP HZ2 H 1 5.230 0.000 . . . . . . A 83 TRP HZ2 . 34731 1 656 . 1 . 1 70 70 TRP HZ3 H 1 6.520 0.000 . . . . . . A 83 TRP HZ3 . 34731 1 657 . 1 . 1 70 70 TRP HH2 H 1 5.480 0.000 . . . . . . A 83 TRP HH2 . 34731 1 658 . 1 . 1 70 70 TRP C C 13 176.780 0.000 . . . . . . A 83 TRP C . 34731 1 659 . 1 . 1 70 70 TRP CA C 13 57.450 0.000 . . . . . . A 83 TRP CA . 34731 1 660 . 1 . 1 70 70 TRP CB C 13 29.310 0.000 . . . . . . A 83 TRP CB . 34731 1 661 . 1 . 1 70 70 TRP N N 15 130.200 0.000 . . . . . . A 83 TRP N . 34731 1 662 . 1 . 1 70 70 TRP NE1 N 15 128.600 0.000 . . . . . . A 83 TRP NE1 . 34731 1 663 . 1 . 1 71 71 GLY H H 1 8.409 0.000 . . . . . . A 84 GLY H . 34731 1 664 . 1 . 1 71 71 GLY HA2 H 1 3.789 0.000 . . . . . . A 84 GLY HA2 . 34731 1 665 . 1 . 1 71 71 GLY HA3 H 1 4.329 0.000 . . . . . . A 84 GLY HA3 . 34731 1 666 . 1 . 1 71 71 GLY C C 13 176.080 0.000 . . . . . . A 84 GLY C . 34731 1 667 . 1 . 1 71 71 GLY CA C 13 44.700 0.000 . . . . . . A 84 GLY CA . 34731 1 668 . 1 . 1 71 71 GLY N N 15 109.950 0.000 . . . . . . A 84 GLY N . 34731 1 669 . 1 . 1 72 72 PHE H H 1 8.471 0.000 . . . . . . A 85 PHE H . 34731 1 670 . 1 . 1 72 72 PHE HA H 1 4.372 0.000 . . . . . . A 85 PHE HA . 34731 1 671 . 1 . 1 72 72 PHE HB2 H 1 3.218 0.000 . . . . . . A 85 PHE HB2 . 34731 1 672 . 1 . 1 72 72 PHE HB3 H 1 3.309 0.000 . . . . . . A 85 PHE HB3 . 34731 1 673 . 1 . 1 72 72 PHE HD1 H 1 7.380 0.000 . . . . . . A 85 PHE HD1 . 34731 1 674 . 1 . 1 72 72 PHE HD2 H 1 7.380 0.000 . . . . . . A 85 PHE HD2 . 34731 1 675 . 1 . 1 72 72 PHE HE1 H 1 7.300 0.000 . . . . . . A 85 PHE HE1 . 34731 1 676 . 1 . 1 72 72 PHE HE2 H 1 7.300 0.000 . . . . . . A 85 PHE HE2 . 34731 1 677 . 1 . 1 72 72 PHE C C 13 177.140 0.000 . . . . . . A 85 PHE C . 34731 1 678 . 1 . 1 72 72 PHE CA C 13 60.900 0.000 . . . . . . A 85 PHE CA . 34731 1 679 . 1 . 1 72 72 PHE CB C 13 39.010 0.000 . . . . . . A 85 PHE CB . 34731 1 680 . 1 . 1 72 72 PHE N N 15 121.810 0.000 . . . . . . A 85 PHE N . 34731 1 681 . 1 . 1 73 73 SER H H 1 8.184 0.000 . . . . . . A 86 SER H . 34731 1 682 . 1 . 1 73 73 SER HA H 1 4.479 0.000 . . . . . . A 86 SER HA . 34731 1 683 . 1 . 1 73 73 SER HB2 H 1 4.293 0.000 . . . . . . A 86 SER HB2 . 34731 1 684 . 1 . 1 73 73 SER HB3 H 1 4.039 0.000 . . . . . . A 86 SER HB3 . 34731 1 685 . 1 . 1 73 73 SER C C 13 174.700 0.000 . . . . . . A 86 SER C . 34731 1 686 . 1 . 1 73 73 SER CA C 13 59.330 0.000 . . . . . . A 86 SER CA . 34731 1 687 . 1 . 1 73 73 SER CB C 13 63.580 0.000 . . . . . . A 86 SER CB . 34731 1 688 . 1 . 1 73 73 SER N N 15 113.650 0.000 . . . . . . A 86 SER N . 34731 1 689 . 1 . 1 74 74 GLY H H 1 8.301 0.000 . . . . . . A 87 GLY H . 34731 1 690 . 1 . 1 74 74 GLY HA2 H 1 3.835 0.000 . . . . . . A 87 GLY HA2 . 34731 1 691 . 1 . 1 74 74 GLY HA3 H 1 4.197 0.000 . . . . . . A 87 GLY HA3 . 34731 1 692 . 1 . 1 74 74 GLY C C 13 171.550 0.000 . . . . . . A 87 GLY C . 34731 1 693 . 1 . 1 74 74 GLY CA C 13 44.700 0.000 . . . . . . A 87 GLY CA . 34731 1 694 . 1 . 1 74 74 GLY N N 15 109.680 0.000 . . . . . . A 87 GLY N . 34731 1 695 . 1 . 1 75 75 LYS H H 1 7.845 0.000 . . . . . . A 88 LYS H . 34731 1 696 . 1 . 1 75 75 LYS HA H 1 3.221 0.000 . . . . . . A 88 LYS HA . 34731 1 697 . 1 . 1 75 75 LYS HB2 H 1 0.547 0.000 . . . . . . A 88 LYS HB2 . 34731 1 698 . 1 . 1 75 75 LYS HB3 H 1 0.775 0.000 . . . . . . A 88 LYS HB3 . 34731 1 699 . 1 . 1 75 75 LYS HG2 H 1 0.193 0.000 . . . . . . A 88 LYS HG2 . 34731 1 700 . 1 . 1 75 75 LYS HG3 H 1 0.510 0.000 . . . . . . A 88 LYS HG3 . 34731 1 701 . 1 . 1 75 75 LYS HD2 H 1 0.690 0.000 . . . . . . A 88 LYS HD2 . 34731 1 702 . 1 . 1 75 75 LYS HD3 H 1 0.690 0.000 . . . . . . A 88 LYS HD3 . 34731 1 703 . 1 . 1 75 75 LYS C C 13 174.740 0.000 . . . . . . A 88 LYS C . 34731 1 704 . 1 . 1 75 75 LYS CA C 13 52.740 0.000 . . . . . . A 88 LYS CA . 34731 1 705 . 1 . 1 75 75 LYS CB C 13 32.240 0.000 . . . . . . A 88 LYS CB . 34731 1 706 . 1 . 1 75 75 LYS N N 15 119.320 0.000 . . . . . . A 88 LYS N . 34731 1 707 . 1 . 1 76 76 PRO HA H 1 3.515 0.000 . . . . . . A 89 PRO HA . 34731 1 708 . 1 . 1 76 76 PRO HB2 H 1 1.309 0.000 . . . . . . A 89 PRO HB2 . 34731 1 709 . 1 . 1 76 76 PRO HB3 H 1 1.210 0.000 . . . . . . A 89 PRO HB3 . 34731 1 710 . 1 . 1 76 76 PRO HG2 H 1 1.609 0.000 . . . . . . A 89 PRO HG2 . 34731 1 711 . 1 . 1 76 76 PRO HG3 H 1 1.741 0.000 . . . . . . A 89 PRO HG3 . 34731 1 712 . 1 . 1 76 76 PRO HD2 H 1 2.893 0.000 . . . . . . A 89 PRO HD2 . 34731 1 713 . 1 . 1 76 76 PRO HD3 H 1 2.932 0.000 . . . . . . A 89 PRO HD3 . 34731 1 714 . 1 . 1 76 76 PRO C C 13 176.490 0.000 . . . . . . A 89 PRO C . 34731 1 715 . 1 . 1 76 76 PRO CA C 13 62.390 0.000 . . . . . . A 89 PRO CA . 34731 1 716 . 1 . 1 76 76 PRO CB C 13 30.770 0.000 . . . . . . A 89 PRO CB . 34731 1 717 . 1 . 1 77 77 ARG H H 1 8.189 0.000 . . . . . . A 90 ARG H . 34731 1 718 . 1 . 1 77 77 ARG HA H 1 3.958 0.000 . . . . . . A 90 ARG HA . 34731 1 719 . 1 . 1 77 77 ARG HB2 H 1 1.728 0.000 . . . . . . A 90 ARG HB2 . 34731 1 720 . 1 . 1 77 77 ARG HB3 H 1 1.782 0.000 . . . . . . A 90 ARG HB3 . 34731 1 721 . 1 . 1 77 77 ARG HG2 H 1 1.592 0.000 . . . . . . A 90 ARG HG2 . 34731 1 722 . 1 . 1 77 77 ARG HG3 H 1 1.611 0.000 . . . . . . A 90 ARG HG3 . 34731 1 723 . 1 . 1 77 77 ARG HD2 H 1 3.207 0.000 . . . . . . A 90 ARG HD2 . 34731 1 724 . 1 . 1 77 77 ARG HD3 H 1 3.229 0.000 . . . . . . A 90 ARG HD3 . 34731 1 725 . 1 . 1 77 77 ARG HE H 1 7.166 0.000 . . . . . . A 90 ARG HE . 34731 1 726 . 1 . 1 77 77 ARG C C 13 177.860 0.000 . . . . . . A 90 ARG C . 34731 1 727 . 1 . 1 77 77 ARG CA C 13 57.450 0.000 . . . . . . A 90 ARG CA . 34731 1 728 . 1 . 1 77 77 ARG CB C 13 30.020 0.000 . . . . . . A 90 ARG CB . 34731 1 729 . 1 . 1 77 77 ARG N N 15 125.790 0.000 . . . . . . A 90 ARG N . 34731 1 730 . 1 . 1 78 78 GLY H H 1 8.720 0.000 . . . . . . A 91 GLY H . 34731 1 731 . 1 . 1 78 78 GLY HA2 H 1 3.670 0.000 . . . . . . A 91 GLY HA2 . 34731 1 732 . 1 . 1 78 78 GLY HA3 H 1 4.042 0.000 . . . . . . A 91 GLY HA3 . 34731 1 733 . 1 . 1 78 78 GLY C C 13 173.660 0.000 . . . . . . A 91 GLY C . 34731 1 734 . 1 . 1 78 78 GLY CA C 13 45.550 0.000 . . . . . . A 91 GLY CA . 34731 1 735 . 1 . 1 78 78 GLY N N 15 111.530 0.000 . . . . . . A 91 GLY N . 34731 1 736 . 1 . 1 79 79 LEU H H 1 6.776 0.000 . . . . . . A 92 LEU H . 34731 1 737 . 1 . 1 79 79 LEU HA H 1 5.244 0.000 . . . . . . A 92 LEU HA . 34731 1 738 . 1 . 1 79 79 LEU HB2 H 1 0.914 0.000 . . . . . . A 92 LEU HB2 . 34731 1 739 . 1 . 1 79 79 LEU HB3 H 1 1.236 0.000 . . . . . . A 92 LEU HB3 . 34731 1 740 . 1 . 1 79 79 LEU HG H 1 1.337 0.000 . . . . . . A 92 LEU HG . 34731 1 741 . 1 . 1 79 79 LEU HD11 H 1 0.617 0.000 . . . . . . A 92 LEU HD11 . 34731 1 742 . 1 . 1 79 79 LEU HD12 H 1 0.617 0.000 . . . . . . A 92 LEU HD12 . 34731 1 743 . 1 . 1 79 79 LEU HD13 H 1 0.617 0.000 . . . . . . A 92 LEU HD13 . 34731 1 744 . 1 . 1 79 79 LEU HD21 H 1 0.678 0.000 . . . . . . A 92 LEU HD21 . 34731 1 745 . 1 . 1 79 79 LEU HD22 H 1 0.678 0.000 . . . . . . A 92 LEU HD22 . 34731 1 746 . 1 . 1 79 79 LEU HD23 H 1 0.678 0.000 . . . . . . A 92 LEU HD23 . 34731 1 747 . 1 . 1 79 79 LEU C C 13 176.800 0.000 . . . . . . A 92 LEU C . 34731 1 748 . 1 . 1 79 79 LEU CA C 13 53.560 0.000 . . . . . . A 92 LEU CA . 34731 1 749 . 1 . 1 79 79 LEU CB C 13 44.600 0.000 . . . . . . A 92 LEU CB . 34731 1 750 . 1 . 1 79 79 LEU N N 15 118.180 0.000 . . . . . . A 92 LEU N . 34731 1 751 . 1 . 1 80 80 THR H H 1 8.980 0.000 . . . . . . A 93 THR H . 34731 1 752 . 1 . 1 80 80 THR HA H 1 4.637 0.000 . . . . . . A 93 THR HA . 34731 1 753 . 1 . 1 80 80 THR HB H 1 3.999 0.000 . . . . . . A 93 THR HB . 34731 1 754 . 1 . 1 80 80 THR HG21 H 1 1.170 0.000 . . . . . . A 93 THR HG21 . 34731 1 755 . 1 . 1 80 80 THR HG22 H 1 1.170 0.000 . . . . . . A 93 THR HG22 . 34731 1 756 . 1 . 1 80 80 THR HG23 H 1 1.170 0.000 . . . . . . A 93 THR HG23 . 34731 1 757 . 1 . 1 80 80 THR C C 13 172.520 0.000 . . . . . . A 93 THR C . 34731 1 758 . 1 . 1 80 80 THR CA C 13 61.430 0.000 . . . . . . A 93 THR CA . 34731 1 759 . 1 . 1 80 80 THR CB C 13 71.350 0.000 . . . . . . A 93 THR CB . 34731 1 760 . 1 . 1 80 80 THR N N 15 116.200 0.000 . . . . . . A 93 THR N . 34731 1 761 . 1 . 1 81 81 PHE H H 1 9.093 0.000 . . . . . . A 94 PHE H . 34731 1 762 . 1 . 1 81 81 PHE HA H 1 4.479 0.000 . . . . . . A 94 PHE HA . 34731 1 763 . 1 . 1 81 81 PHE HB2 H 1 2.428 0.000 . . . . . . A 94 PHE HB2 . 34731 1 764 . 1 . 1 81 81 PHE HB3 H 1 3.086 0.000 . . . . . . A 94 PHE HB3 . 34731 1 765 . 1 . 1 81 81 PHE HD1 H 1 6.764 0.000 . . . . . . A 94 PHE HD1 . 34731 1 766 . 1 . 1 81 81 PHE HD2 H 1 6.764 0.000 . . . . . . A 94 PHE HD2 . 34731 1 767 . 1 . 1 81 81 PHE HE1 H 1 6.090 0.000 . . . . . . A 94 PHE HE1 . 34731 1 768 . 1 . 1 81 81 PHE HE2 H 1 6.090 0.000 . . . . . . A 94 PHE HE2 . 34731 1 769 . 1 . 1 81 81 PHE HZ H 1 5.120 0.000 . . . . . . A 94 PHE HZ . 34731 1 770 . 1 . 1 81 81 PHE C C 13 174.520 0.000 . . . . . . A 94 PHE C . 34731 1 771 . 1 . 1 81 81 PHE CA C 13 57.250 0.000 . . . . . . A 94 PHE CA . 34731 1 772 . 1 . 1 81 81 PHE CB C 13 39.810 0.000 . . . . . . A 94 PHE CB . 34731 1 773 . 1 . 1 81 81 PHE N N 15 126.130 0.000 . . . . . . A 94 PHE N . 34731 1 774 . 1 . 1 82 82 GLU H H 1 9.357 0.000 . . . . . . A 95 GLU H . 34731 1 775 . 1 . 1 82 82 GLU HA H 1 4.720 0.000 . . . . . . A 95 GLU HA . 34731 1 776 . 1 . 1 82 82 GLU HB2 H 1 2.557 0.000 . . . . . . A 95 GLU HB2 . 34731 1 777 . 1 . 1 82 82 GLU HB3 H 1 2.025 0.000 . . . . . . A 95 GLU HB3 . 34731 1 778 . 1 . 1 82 82 GLU HG2 H 1 2.390 0.000 . . . . . . A 95 GLU HG2 . 34731 1 779 . 1 . 1 82 82 GLU HG3 H 1 2.426 0.000 . . . . . . A 95 GLU HG3 . 34731 1 780 . 1 . 1 82 82 GLU C C 13 175.450 0.000 . . . . . . A 95 GLU C . 34731 1 781 . 1 . 1 82 82 GLU CA C 13 54.480 0.000 . . . . . . A 95 GLU CA . 34731 1 782 . 1 . 1 82 82 GLU CB C 13 30.770 0.000 . . . . . . A 95 GLU CB . 34731 1 783 . 1 . 1 82 82 GLU N N 15 127.540 0.000 . . . . . . A 95 GLU N . 34731 1 784 . 1 . 1 83 83 PHE H H 1 9.235 0.000 . . . . . . A 96 PHE H . 34731 1 785 . 1 . 1 83 83 PHE HA H 1 4.402 0.000 . . . . . . A 96 PHE HA . 34731 1 786 . 1 . 1 83 83 PHE HB2 H 1 2.912 0.000 . . . . . . A 96 PHE HB2 . 34731 1 787 . 1 . 1 83 83 PHE HB3 H 1 3.422 0.000 . . . . . . A 96 PHE HB3 . 34731 1 788 . 1 . 1 83 83 PHE HD1 H 1 6.759 0.000 . . . . . . A 96 PHE HD1 . 34731 1 789 . 1 . 1 83 83 PHE HD2 H 1 6.759 0.000 . . . . . . A 96 PHE HD2 . 34731 1 790 . 1 . 1 83 83 PHE HE1 H 1 7.107 0.000 . . . . . . A 96 PHE HE1 . 34731 1 791 . 1 . 1 83 83 PHE HE2 H 1 7.107 0.000 . . . . . . A 96 PHE HE2 . 34731 1 792 . 1 . 1 83 83 PHE C C 13 174.280 0.000 . . . . . . A 96 PHE C . 34731 1 793 . 1 . 1 83 83 PHE CA C 13 58.610 0.000 . . . . . . A 96 PHE CA . 34731 1 794 . 1 . 1 83 83 PHE CB C 13 38.600 0.000 . . . . . . A 96 PHE CB . 34731 1 795 . 1 . 1 83 83 PHE N N 15 129.660 0.000 . . . . . . A 96 PHE N . 34731 1 796 . 1 . 1 84 84 LEU H H 1 8.337 0.000 . . . . . . A 97 LEU H . 34731 1 797 . 1 . 1 84 84 LEU HA H 1 3.858 0.000 . . . . . . A 97 LEU HA . 34731 1 798 . 1 . 1 84 84 LEU HB2 H 1 -0.530 0.000 . . . . . . A 97 LEU HB2 . 34731 1 799 . 1 . 1 84 84 LEU HB3 H 1 -0.010 0.000 . . . . . . A 97 LEU HB3 . 34731 1 800 . 1 . 1 84 84 LEU HG H 1 1.143 0.000 . . . . . . A 97 LEU HG . 34731 1 801 . 1 . 1 84 84 LEU HD11 H 1 0.175 0.000 . . . . . . A 97 LEU HD11 . 34731 1 802 . 1 . 1 84 84 LEU HD12 H 1 0.175 0.000 . . . . . . A 97 LEU HD12 . 34731 1 803 . 1 . 1 84 84 LEU HD13 H 1 0.175 0.000 . . . . . . A 97 LEU HD13 . 34731 1 804 . 1 . 1 84 84 LEU HD21 H 1 0.347 0.000 . . . . . . A 97 LEU HD21 . 34731 1 805 . 1 . 1 84 84 LEU HD22 H 1 0.347 0.000 . . . . . . A 97 LEU HD22 . 34731 1 806 . 1 . 1 84 84 LEU HD23 H 1 0.347 0.000 . . . . . . A 97 LEU HD23 . 34731 1 807 . 1 . 1 84 84 LEU C C 13 174.860 0.000 . . . . . . A 97 LEU C . 34731 1 808 . 1 . 1 84 84 LEU CA C 13 55.250 0.000 . . . . . . A 97 LEU CA . 34731 1 809 . 1 . 1 84 84 LEU CB C 13 40.670 0.000 . . . . . . A 97 LEU CB . 34731 1 810 . 1 . 1 84 84 LEU N N 15 130.620 0.000 . . . . . . A 97 LEU N . 34731 1 811 . 1 . 1 85 85 TRP H H 1 6.082 0.000 . . . . . . A 98 TRP H . 34731 1 812 . 1 . 1 85 85 TRP HA H 1 4.242 0.000 . . . . . . A 98 TRP HA . 34731 1 813 . 1 . 1 85 85 TRP HB2 H 1 3.273 0.000 . . . . . . A 98 TRP HB2 . 34731 1 814 . 1 . 1 85 85 TRP HB3 H 1 3.764 0.000 . . . . . . A 98 TRP HB3 . 34731 1 815 . 1 . 1 85 85 TRP HD1 H 1 6.486 0.000 . . . . . . A 98 TRP HD1 . 34731 1 816 . 1 . 1 85 85 TRP HE1 H 1 10.180 0.000 . . . . . . A 98 TRP HE1 . 34731 1 817 . 1 . 1 85 85 TRP HE3 H 1 7.285 0.000 . . . . . . A 98 TRP HE3 . 34731 1 818 . 1 . 1 85 85 TRP HZ2 H 1 7.365 0.000 . . . . . . A 98 TRP HZ2 . 34731 1 819 . 1 . 1 85 85 TRP HZ3 H 1 7.019 0.000 . . . . . . A 98 TRP HZ3 . 34731 1 820 . 1 . 1 85 85 TRP HH2 H 1 7.123 0.000 . . . . . . A 98 TRP HH2 . 34731 1 821 . 1 . 1 85 85 TRP C C 13 174.870 0.000 . . . . . . A 98 TRP C . 34731 1 822 . 1 . 1 85 85 TRP CA C 13 56.190 0.000 . . . . . . A 98 TRP CA . 34731 1 823 . 1 . 1 85 85 TRP CB C 13 28.100 0.000 . . . . . . A 98 TRP CB . 34731 1 824 . 1 . 1 85 85 TRP N N 15 112.120 0.000 . . . . . . A 98 TRP N . 34731 1 825 . 1 . 1 85 85 TRP NE1 N 15 128.900 0.000 . . . . . . A 98 TRP NE1 . 34731 1 826 . 1 . 1 86 86 ASP H H 1 8.391 0.000 . . . . . . A 99 ASP H . 34731 1 827 . 1 . 1 86 86 ASP HA H 1 5.930 0.000 . . . . . . A 99 ASP HA . 34731 1 828 . 1 . 1 86 86 ASP HB2 H 1 3.036 0.000 . . . . . . A 99 ASP HB2 . 34731 1 829 . 1 . 1 86 86 ASP HB3 H 1 3.091 0.000 . . . . . . A 99 ASP HB3 . 34731 1 830 . 1 . 1 86 86 ASP C C 13 175.340 0.000 . . . . . . A 99 ASP C . 34731 1 831 . 1 . 1 86 86 ASP CA C 13 51.340 0.000 . . . . . . A 99 ASP CA . 34731 1 832 . 1 . 1 86 86 ASP CB C 13 42.840 0.000 . . . . . . A 99 ASP CB . 34731 1 833 . 1 . 1 86 86 ASP N N 15 116.360 0.000 . . . . . . A 99 ASP N . 34731 1 834 . 1 . 1 87 87 LYS H H 1 8.836 0.000 . . . . . . A 100 LYS H . 34731 1 835 . 1 . 1 87 87 LYS HA H 1 4.628 0.000 . . . . . . A 100 LYS HA . 34731 1 836 . 1 . 1 87 87 LYS HB2 H 1 1.865 0.000 . . . . . . A 100 LYS HB2 . 34731 1 837 . 1 . 1 87 87 LYS HB3 H 1 1.777 0.000 . . . . . . A 100 LYS HB3 . 34731 1 838 . 1 . 1 87 87 LYS HG2 H 1 1.205 0.000 . . . . . . A 100 LYS HG2 . 34731 1 839 . 1 . 1 87 87 LYS HG3 H 1 1.301 0.000 . . . . . . A 100 LYS HG3 . 34731 1 840 . 1 . 1 87 87 LYS HD2 H 1 1.628 0.000 . . . . . . A 100 LYS HD2 . 34731 1 841 . 1 . 1 87 87 LYS HD3 H 1 1.628 0.000 . . . . . . A 100 LYS HD3 . 34731 1 842 . 1 . 1 87 87 LYS HE2 H 1 2.829 0.000 . . . . . . A 100 LYS HE2 . 34731 1 843 . 1 . 1 87 87 LYS HE3 H 1 2.829 0.000 . . . . . . A 100 LYS HE3 . 34731 1 844 . 1 . 1 87 87 LYS C C 13 174.380 0.000 . . . . . . A 100 LYS C . 34731 1 845 . 1 . 1 87 87 LYS CA C 13 55.420 0.000 . . . . . . A 100 LYS CA . 34731 1 846 . 1 . 1 87 87 LYS CB C 13 36.020 0.000 . . . . . . A 100 LYS CB . 34731 1 847 . 1 . 1 87 87 LYS N N 15 115.680 0.000 . . . . . . A 100 LYS N . 34731 1 848 . 1 . 1 88 88 GLU H H 1 8.850 0.000 . . . . . . A 101 GLU H . 34731 1 849 . 1 . 1 88 88 GLU HA H 1 4.497 0.000 . . . . . . A 101 GLU HA . 34731 1 850 . 1 . 1 88 88 GLU HB2 H 1 1.972 0.000 . . . . . . A 101 GLU HB2 . 34731 1 851 . 1 . 1 88 88 GLU HB3 H 1 2.155 0.000 . . . . . . A 101 GLU HB3 . 34731 1 852 . 1 . 1 88 88 GLU HG2 H 1 2.434 0.000 . . . . . . A 101 GLU HG2 . 34731 1 853 . 1 . 1 88 88 GLU HG3 H 1 2.526 0.000 . . . . . . A 101 GLU HG3 . 34731 1 854 . 1 . 1 88 88 GLU C C 13 176.130 0.000 . . . . . . A 101 GLU C . 34731 1 855 . 1 . 1 88 88 GLU CA C 13 56.840 0.000 . . . . . . A 101 GLU CA . 34731 1 856 . 1 . 1 88 88 GLU CB C 13 29.770 0.000 . . . . . . A 101 GLU CB . 34731 1 857 . 1 . 1 88 88 GLU N N 15 121.700 0.000 . . . . . . A 101 GLU N . 34731 1 858 . 1 . 1 89 89 ALA H H 1 8.521 0.000 . . . . . . A 102 ALA H . 34731 1 859 . 1 . 1 89 89 ALA HA H 1 4.492 0.000 . . . . . . A 102 ALA HA . 34731 1 860 . 1 . 1 89 89 ALA HB1 H 1 1.260 0.000 . . . . . . A 102 ALA HB1 . 34731 1 861 . 1 . 1 89 89 ALA HB2 H 1 1.260 0.000 . . . . . . A 102 ALA HB2 . 34731 1 862 . 1 . 1 89 89 ALA HB3 H 1 1.260 0.000 . . . . . . A 102 ALA HB3 . 34731 1 863 . 1 . 1 89 89 ALA C C 13 177.550 0.000 . . . . . . A 102 ALA C . 34731 1 864 . 1 . 1 89 89 ALA CA C 13 52.090 0.000 . . . . . . A 102 ALA CA . 34731 1 865 . 1 . 1 89 89 ALA CB C 13 19.220 0.000 . . . . . . A 102 ALA CB . 34731 1 866 . 1 . 1 89 89 ALA N N 15 125.010 0.000 . . . . . . A 102 ALA N . 34731 1 867 . 1 . 1 90 90 ALA H H 1 8.501 0.000 . . . . . . A 103 ALA H . 34731 1 868 . 1 . 1 90 90 ALA HA H 1 4.411 0.000 . . . . . . A 103 ALA HA . 34731 1 869 . 1 . 1 90 90 ALA HB1 H 1 1.589 0.000 . . . . . . A 103 ALA HB1 . 34731 1 870 . 1 . 1 90 90 ALA HB2 H 1 1.589 0.000 . . . . . . A 103 ALA HB2 . 34731 1 871 . 1 . 1 90 90 ALA HB3 H 1 1.589 0.000 . . . . . . A 103 ALA HB3 . 34731 1 872 . 1 . 1 90 90 ALA C C 13 179.180 0.000 . . . . . . A 103 ALA C . 34731 1 873 . 1 . 1 90 90 ALA CA C 13 51.800 0.000 . . . . . . A 103 ALA CA . 34731 1 874 . 1 . 1 90 90 ALA CB C 13 19.620 0.000 . . . . . . A 103 ALA CB . 34731 1 875 . 1 . 1 90 90 ALA N N 15 121.270 0.000 . . . . . . A 103 ALA N . 34731 1 876 . 1 . 1 91 91 ALA H H 1 8.765 0.000 . . . . . . A 104 ALA H . 34731 1 877 . 1 . 1 91 91 ALA HA H 1 4.105 0.000 . . . . . . A 104 ALA HA . 34731 1 878 . 1 . 1 91 91 ALA HB1 H 1 1.469 0.000 . . . . . . A 104 ALA HB1 . 34731 1 879 . 1 . 1 91 91 ALA HB2 H 1 1.469 0.000 . . . . . . A 104 ALA HB2 . 34731 1 880 . 1 . 1 91 91 ALA HB3 H 1 1.469 0.000 . . . . . . A 104 ALA HB3 . 34731 1 881 . 1 . 1 91 91 ALA C C 13 178.370 0.000 . . . . . . A 104 ALA C . 34731 1 882 . 1 . 1 91 91 ALA CA C 13 55.200 0.000 . . . . . . A 104 ALA CA . 34731 1 883 . 1 . 1 91 91 ALA CB C 13 18.110 0.000 . . . . . . A 104 ALA CB . 34731 1 884 . 1 . 1 91 91 ALA N N 15 123.590 0.000 . . . . . . A 104 ALA N . 34731 1 885 . 1 . 1 92 92 ASP H H 1 7.727 0.000 . . . . . . A 105 ASP H . 34731 1 886 . 1 . 1 92 92 ASP HA H 1 4.531 0.000 . . . . . . A 105 ASP HA . 34731 1 887 . 1 . 1 92 92 ASP HB2 H 1 3.098 0.000 . . . . . . A 105 ASP HB2 . 34731 1 888 . 1 . 1 92 92 ASP HB3 H 1 2.607 0.000 . . . . . . A 105 ASP HB3 . 34731 1 889 . 1 . 1 92 92 ASP C C 13 177.260 0.000 . . . . . . A 105 ASP C . 34731 1 890 . 1 . 1 92 92 ASP CA C 13 52.980 0.000 . . . . . . A 105 ASP CA . 34731 1 891 . 1 . 1 92 92 ASP CB C 13 39.810 0.000 . . . . . . A 105 ASP CB . 34731 1 892 . 1 . 1 92 92 ASP N N 15 113.730 0.000 . . . . . . A 105 ASP N . 34731 1 893 . 1 . 1 93 93 GLY H H 1 8.421 0.000 . . . . . . A 106 GLY H . 34731 1 894 . 1 . 1 93 93 GLY HA2 H 1 3.610 0.000 . . . . . . A 106 GLY HA2 . 34731 1 895 . 1 . 1 93 93 GLY HA3 H 1 4.273 0.000 . . . . . . A 106 GLY HA3 . 34731 1 896 . 1 . 1 93 93 GLY C C 13 174.450 0.000 . . . . . . A 106 GLY C . 34731 1 897 . 1 . 1 93 93 GLY CA C 13 45.450 0.000 . . . . . . A 106 GLY CA . 34731 1 898 . 1 . 1 93 93 GLY N N 15 107.960 0.000 . . . . . . A 106 GLY N . 34731 1 899 . 1 . 1 94 94 THR H H 1 7.693 0.000 . . . . . . A 107 THR H . 34731 1 900 . 1 . 1 94 94 THR HA H 1 4.419 0.000 . . . . . . A 107 THR HA . 34731 1 901 . 1 . 1 94 94 THR HB H 1 4.311 0.000 . . . . . . A 107 THR HB . 34731 1 902 . 1 . 1 94 94 THR HG21 H 1 1.170 0.000 . . . . . . A 107 THR HG21 . 34731 1 903 . 1 . 1 94 94 THR HG22 H 1 1.170 0.000 . . . . . . A 107 THR HG22 . 34731 1 904 . 1 . 1 94 94 THR HG23 H 1 1.170 0.000 . . . . . . A 107 THR HG23 . 34731 1 905 . 1 . 1 94 94 THR C C 13 173.860 0.000 . . . . . . A 107 THR C . 34731 1 906 . 1 . 1 94 94 THR CA C 13 61.910 0.000 . . . . . . A 107 THR CA . 34731 1 907 . 1 . 1 94 94 THR CB C 13 71.400 0.000 . . . . . . A 107 THR CB . 34731 1 908 . 1 . 1 94 94 THR N N 15 111.700 0.000 . . . . . . A 107 THR N . 34731 1 909 . 1 . 1 95 95 CYS H H 1 8.180 0.000 . . . . . . A 108 CYS H . 34731 1 910 . 1 . 1 95 95 CYS HA H 1 4.786 0.000 . . . . . . A 108 CYS HA . 34731 1 911 . 1 . 1 95 95 CYS HB2 H 1 2.445 0.000 . . . . . . A 108 CYS HB2 . 34731 1 912 . 1 . 1 95 95 CYS HB3 H 1 2.967 0.000 . . . . . . A 108 CYS HB3 . 34731 1 913 . 1 . 1 95 95 CYS C C 13 179.620 0.000 . . . . . . A 108 CYS C . 34731 1 914 . 1 . 1 95 95 CYS CA C 13 54.960 0.000 . . . . . . A 108 CYS CA . 34731 1 915 . 1 . 1 95 95 CYS CB C 13 40.460 0.000 . . . . . . A 108 CYS CB . 34731 1 916 . 1 . 1 95 95 CYS N N 15 122.920 0.000 . . . . . . A 108 CYS N . 34731 1 stop_ save_