data_34730 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34730 _Entry.Title ; The NMR structure of the MAX60 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 2022-05-12 _Entry.Original_release_date 2022-05-12 _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. . . . 34730 2 A. Padilla A. . . . 34730 3 K. 'de Guillen' K. . . . 34730 4 J. Pissarra J. . . . 34730 5 M. Raji M. . . . 34730 6 S. Cesari S. . . . 34730 7 T. Kroj T. . . . 34730 8 P. Gladieux P. . . . 34730 9 C. Roumestand C. . . . 34730 10 P. Barthe P. . . . 34730 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Magnaporthe oryzae' . 34730 'UNKNOWN FUNCTION' . 34730 effector . 34730 'plant pathogen' . 34730 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34730 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 256 34730 '15N chemical shifts' 98 34730 '1H chemical shifts' 637 34730 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 . 34730 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7ZK0 'BMRB Entry Tracking System' 34730 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34730 _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. . . . 34730 1 2 A. Padilla A. . . . 34730 1 3 K. 'de Guillen' K. . . . 34730 1 4 J. Pissarra J. . . . 34730 1 5 M. Raji M. . . . 34730 1 6 S. Cesari S. . . . 34730 1 7 T. Kroj T. . . . 34730 1 8 P. Gladieux P. . . . 34730 1 9 C. Roumestand C. . . . 34730 1 10 P. Barthe P. . . . 34730 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34730 _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 . . . . . . 34730 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34730 _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 ; GPHMGKHGRDDYDCTVIFRN NHAPERQPIVVHTYYSRDLP IELDGVRHTIQLSGCTPEQS QIPQGYSVEHMTYKNYLRQE ILNERPFWP ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10493.722 _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 19 GLY . 34730 1 2 20 PRO . 34730 1 3 21 HIS . 34730 1 4 22 MET . 34730 1 5 23 GLY . 34730 1 6 24 LYS . 34730 1 7 25 HIS . 34730 1 8 26 GLY . 34730 1 9 27 ARG . 34730 1 10 28 ASP . 34730 1 11 29 ASP . 34730 1 12 30 TYR . 34730 1 13 31 ASP . 34730 1 14 32 CYS . 34730 1 15 33 THR . 34730 1 16 34 VAL . 34730 1 17 35 ILE . 34730 1 18 36 PHE . 34730 1 19 37 ARG . 34730 1 20 38 ASN . 34730 1 21 39 ASN . 34730 1 22 40 HIS . 34730 1 23 41 ALA . 34730 1 24 42 PRO . 34730 1 25 43 GLU . 34730 1 26 44 ARG . 34730 1 27 45 GLN . 34730 1 28 46 PRO . 34730 1 29 47 ILE . 34730 1 30 48 VAL . 34730 1 31 49 VAL . 34730 1 32 50 HIS . 34730 1 33 51 THR . 34730 1 34 52 TYR . 34730 1 35 53 TYR . 34730 1 36 54 SER . 34730 1 37 55 ARG . 34730 1 38 56 ASP . 34730 1 39 57 LEU . 34730 1 40 58 PRO . 34730 1 41 59 ILE . 34730 1 42 60 GLU . 34730 1 43 61 LEU . 34730 1 44 62 ASP . 34730 1 45 63 GLY . 34730 1 46 64 VAL . 34730 1 47 65 ARG . 34730 1 48 66 HIS . 34730 1 49 67 THR . 34730 1 50 68 ILE . 34730 1 51 69 GLN . 34730 1 52 70 LEU . 34730 1 53 71 SER . 34730 1 54 72 GLY . 34730 1 55 73 CYS . 34730 1 56 74 THR . 34730 1 57 75 PRO . 34730 1 58 76 GLU . 34730 1 59 77 GLN . 34730 1 60 78 SER . 34730 1 61 79 GLN . 34730 1 62 80 ILE . 34730 1 63 81 PRO . 34730 1 64 82 GLN . 34730 1 65 83 GLY . 34730 1 66 84 TYR . 34730 1 67 85 SER . 34730 1 68 86 VAL . 34730 1 69 87 GLU . 34730 1 70 88 HIS . 34730 1 71 89 MET . 34730 1 72 90 THR . 34730 1 73 91 TYR . 34730 1 74 92 LYS . 34730 1 75 93 ASN . 34730 1 76 94 TYR . 34730 1 77 95 LEU . 34730 1 78 96 ARG . 34730 1 79 97 GLN . 34730 1 80 98 GLU . 34730 1 81 99 ILE . 34730 1 82 100 LEU . 34730 1 83 101 ASN . 34730 1 84 102 GLU . 34730 1 85 103 ARG . 34730 1 86 104 PRO . 34730 1 87 105 PHE . 34730 1 88 106 TRP . 34730 1 89 107 PRO . 34730 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 34730 1 . PRO 2 2 34730 1 . HIS 3 3 34730 1 . MET 4 4 34730 1 . GLY 5 5 34730 1 . LYS 6 6 34730 1 . HIS 7 7 34730 1 . GLY 8 8 34730 1 . ARG 9 9 34730 1 . ASP 10 10 34730 1 . ASP 11 11 34730 1 . TYR 12 12 34730 1 . ASP 13 13 34730 1 . CYS 14 14 34730 1 . THR 15 15 34730 1 . VAL 16 16 34730 1 . ILE 17 17 34730 1 . PHE 18 18 34730 1 . ARG 19 19 34730 1 . ASN 20 20 34730 1 . ASN 21 21 34730 1 . HIS 22 22 34730 1 . ALA 23 23 34730 1 . PRO 24 24 34730 1 . GLU 25 25 34730 1 . ARG 26 26 34730 1 . GLN 27 27 34730 1 . PRO 28 28 34730 1 . ILE 29 29 34730 1 . VAL 30 30 34730 1 . VAL 31 31 34730 1 . HIS 32 32 34730 1 . THR 33 33 34730 1 . TYR 34 34 34730 1 . TYR 35 35 34730 1 . SER 36 36 34730 1 . ARG 37 37 34730 1 . ASP 38 38 34730 1 . LEU 39 39 34730 1 . PRO 40 40 34730 1 . ILE 41 41 34730 1 . GLU 42 42 34730 1 . LEU 43 43 34730 1 . ASP 44 44 34730 1 . GLY 45 45 34730 1 . VAL 46 46 34730 1 . ARG 47 47 34730 1 . HIS 48 48 34730 1 . THR 49 49 34730 1 . ILE 50 50 34730 1 . GLN 51 51 34730 1 . LEU 52 52 34730 1 . SER 53 53 34730 1 . GLY 54 54 34730 1 . CYS 55 55 34730 1 . THR 56 56 34730 1 . PRO 57 57 34730 1 . GLU 58 58 34730 1 . GLN 59 59 34730 1 . SER 60 60 34730 1 . GLN 61 61 34730 1 . ILE 62 62 34730 1 . PRO 63 63 34730 1 . GLN 64 64 34730 1 . GLY 65 65 34730 1 . TYR 66 66 34730 1 . SER 67 67 34730 1 . VAL 68 68 34730 1 . GLU 69 69 34730 1 . HIS 70 70 34730 1 . MET 71 71 34730 1 . THR 72 72 34730 1 . TYR 73 73 34730 1 . LYS 74 74 34730 1 . ASN 75 75 34730 1 . TYR 76 76 34730 1 . LEU 77 77 34730 1 . ARG 78 78 34730 1 . GLN 79 79 34730 1 . GLU 80 80 34730 1 . ILE 81 81 34730 1 . LEU 82 82 34730 1 . ASN 83 83 34730 1 . GLU 84 84 34730 1 . ARG 85 85 34730 1 . PRO 86 86 34730 1 . PHE 87 87 34730 1 . TRP 88 88 34730 1 . PRO 89 89 34730 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 34730 _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_P131scaffold00111g1 . 34730 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 34730 _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 . . . . . . . . . . . . 34730 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34730 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-15N] MAX60, 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 MAX60 [U-15N] . . 1 $entity_1 . . 0.5 . . mM . . . . 34730 1 2 'sodium acetate' 'natural abundance' . . . . . . 25 . . mM . . . . 34730 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 34730 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34730 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-13C; U-15N] MAX60, 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 MAX60 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34730 2 2 'sodium acetate' 'natural abundance' . . . . . . 25 . . mM . . . . 34730 2 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 34730 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 34730 _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 34730 1 pH 4.6 . pH 34730 1 pressure 1 . atm 34730 1 temperature 305 . K 34730 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34730 _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' . . 34730 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34730 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34730 _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' . . 34730 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34730 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34730 _Software.ID 3 _Software.Type . _Software.Name CINDY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Padilla, A.' . . 34730 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34730 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34730 _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' . . 34730 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34730 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 34730 _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_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34730 _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 . . . 34730 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 34730 _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 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34730 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34730 1 3 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34730 1 4 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34730 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34730 1 6 '3D HN(COCA)CB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34730 1 7 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34730 1 8 '3D HCACO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34730 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 34730 _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 . . . . . 34730 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 34730 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 34730 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 34730 _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' . . . 34730 1 2 '3D 1H-15N TOCSY' . . . 34730 1 3 '3D HNCA' . . . 34730 1 4 '3D HNCACB' . . . 34730 1 5 '3D HN(CO)CA' . . . 34730 1 6 '3D HN(COCA)CB' . . . 34730 1 7 '3D HNCO' . . . 34730 1 8 '3D HCACO' . . . 34730 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.980 0.000 . . . . . . A 19 GLY HA2 . 34730 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.970 0.000 . . . . . . A 19 GLY HA3 . 34730 1 3 . 1 . 1 2 2 PRO HA H 1 4.441 0.000 . . . . . . A 20 PRO HA . 34730 1 4 . 1 . 1 2 2 PRO HB2 H 1 2.260 0.000 . . . . . . A 20 PRO HB2 . 34730 1 5 . 1 . 1 2 2 PRO HB3 H 1 1.850 0.000 . . . . . . A 20 PRO HB3 . 34730 1 6 . 1 . 1 2 2 PRO HG2 H 1 2.010 0.000 . . . . . . A 20 PRO HG2 . 34730 1 7 . 1 . 1 2 2 PRO HG3 H 1 1.950 0.000 . . . . . . A 20 PRO HG3 . 34730 1 8 . 1 . 1 2 2 PRO HD2 H 1 3.600 0.000 . . . . . . A 20 PRO HD2 . 34730 1 9 . 1 . 1 2 2 PRO HD3 H 1 3.497 0.000 . . . . . . A 20 PRO HD3 . 34730 1 10 . 1 . 1 2 2 PRO C C 13 176.620 0.000 . . . . . . A 20 PRO C . 34730 1 11 . 1 . 1 2 2 PRO CA C 13 63.010 0.000 . . . . . . A 20 PRO CA . 34730 1 12 . 1 . 1 2 2 PRO CB C 13 32.460 0.000 . . . . . . A 20 PRO CB . 34730 1 13 . 1 . 1 3 3 HIS H H 1 8.717 0.000 . . . . . . A 21 HIS H . 34730 1 14 . 1 . 1 3 3 HIS HA H 1 4.684 0.000 . . . . . . A 21 HIS HA . 34730 1 15 . 1 . 1 3 3 HIS HB2 H 1 3.254 0.000 . . . . . . A 21 HIS HB2 . 34730 1 16 . 1 . 1 3 3 HIS HB3 H 1 3.190 0.000 . . . . . . A 21 HIS HB3 . 34730 1 17 . 1 . 1 3 3 HIS C C 13 174.410 0.000 . . . . . . A 21 HIS C . 34730 1 18 . 1 . 1 3 3 HIS CA C 13 55.470 0.000 . . . . . . A 21 HIS CA . 34730 1 19 . 1 . 1 3 3 HIS CB C 13 29.010 0.000 . . . . . . A 21 HIS CB . 34730 1 20 . 1 . 1 3 3 HIS N N 15 119.250 0.000 . . . . . . A 21 HIS N . 34730 1 21 . 1 . 1 4 4 MET H H 1 8.449 0.000 . . . . . . A 22 MET H . 34730 1 22 . 1 . 1 4 4 MET HA H 1 4.534 0.000 . . . . . . A 22 MET HA . 34730 1 23 . 1 . 1 4 4 MET HB2 H 1 2.090 0.000 . . . . . . A 22 MET HB2 . 34730 1 24 . 1 . 1 4 4 MET HB3 H 1 1.995 0.000 . . . . . . A 22 MET HB3 . 34730 1 25 . 1 . 1 4 4 MET HG2 H 1 2.594 0.000 . . . . . . A 22 MET HG2 . 34730 1 26 . 1 . 1 4 4 MET HG3 H 1 2.524 0.000 . . . . . . A 22 MET HG3 . 34730 1 27 . 1 . 1 4 4 MET HE1 H 1 1.920 0.000 . . . . . . A 22 MET HE1 . 34730 1 28 . 1 . 1 4 4 MET HE2 H 1 1.920 0.000 . . . . . . A 22 MET HE2 . 34730 1 29 . 1 . 1 4 4 MET HE3 H 1 1.920 0.000 . . . . . . A 22 MET HE3 . 34730 1 30 . 1 . 1 4 4 MET C C 13 176.400 0.000 . . . . . . A 22 MET C . 34730 1 31 . 1 . 1 4 4 MET CA C 13 55.380 0.000 . . . . . . A 22 MET CA . 34730 1 32 . 1 . 1 4 4 MET CB C 13 33.170 0.000 . . . . . . A 22 MET CB . 34730 1 33 . 1 . 1 4 4 MET N N 15 122.410 0.000 . . . . . . A 22 MET N . 34730 1 34 . 1 . 1 5 5 GLY H H 1 8.428 0.000 . . . . . . A 23 GLY H . 34730 1 35 . 1 . 1 5 5 GLY HA2 H 1 4.009 0.000 . . . . . . A 23 GLY HA2 . 34730 1 36 . 1 . 1 5 5 GLY HA3 H 1 3.929 0.000 . . . . . . A 23 GLY HA3 . 34730 1 37 . 1 . 1 5 5 GLY C C 13 173.850 0.000 . . . . . . A 23 GLY C . 34730 1 38 . 1 . 1 5 5 GLY CA C 13 45.130 0.000 . . . . . . A 23 GLY CA . 34730 1 39 . 1 . 1 5 5 GLY N N 15 110.380 0.000 . . . . . . A 23 GLY N . 34730 1 40 . 1 . 1 6 6 LYS H H 1 8.298 0.000 . . . . . . A 24 LYS H . 34730 1 41 . 1 . 1 6 6 LYS HA H 1 4.294 0.000 . . . . . . A 24 LYS HA . 34730 1 42 . 1 . 1 6 6 LYS HB2 H 1 1.752 0.000 . . . . . . A 24 LYS HB2 . 34730 1 43 . 1 . 1 6 6 LYS HB3 H 1 1.681 0.000 . . . . . . A 24 LYS HB3 . 34730 1 44 . 1 . 1 6 6 LYS HG2 H 1 1.388 0.000 . . . . . . A 24 LYS HG2 . 34730 1 45 . 1 . 1 6 6 LYS HG3 H 1 1.342 0.000 . . . . . . A 24 LYS HG3 . 34730 1 46 . 1 . 1 6 6 LYS HD2 H 1 1.626 0.000 . . . . . . A 24 LYS HD2 . 34730 1 47 . 1 . 1 6 6 LYS HD3 H 1 1.626 0.000 . . . . . . A 24 LYS HD3 . 34730 1 48 . 1 . 1 6 6 LYS HE2 H 1 2.964 0.000 . . . . . . A 24 LYS HE2 . 34730 1 49 . 1 . 1 6 6 LYS HE3 H 1 2.964 0.000 . . . . . . A 24 LYS HE3 . 34730 1 50 . 1 . 1 6 6 LYS C C 13 176.660 0.000 . . . . . . A 24 LYS C . 34730 1 51 . 1 . 1 6 6 LYS CA C 13 56.430 0.000 . . . . . . A 24 LYS CA . 34730 1 52 . 1 . 1 6 6 LYS CB C 13 33.140 0.000 . . . . . . A 24 LYS CB . 34730 1 53 . 1 . 1 6 6 LYS N N 15 120.860 0.000 . . . . . . A 24 LYS N . 34730 1 54 . 1 . 1 7 7 HIS H H 1 8.642 0.000 . . . . . . A 25 HIS H . 34730 1 55 . 1 . 1 7 7 HIS HA H 1 4.754 0.000 . . . . . . A 25 HIS HA . 34730 1 56 . 1 . 1 7 7 HIS HB2 H 1 3.312 0.000 . . . . . . A 25 HIS HB2 . 34730 1 57 . 1 . 1 7 7 HIS HB3 H 1 3.198 0.000 . . . . . . A 25 HIS HB3 . 34730 1 58 . 1 . 1 7 7 HIS HD2 H 1 7.278 0.000 . . . . . . A 25 HIS HD2 . 34730 1 59 . 1 . 1 7 7 HIS HE1 H 1 8.570 0.000 . . . . . . A 25 HIS HE1 . 34730 1 60 . 1 . 1 7 7 HIS C C 13 174.790 0.000 . . . . . . A 25 HIS C . 34730 1 61 . 1 . 1 7 7 HIS CA C 13 55.260 0.000 . . . . . . A 25 HIS CA . 34730 1 62 . 1 . 1 7 7 HIS CB C 13 29.220 0.000 . . . . . . A 25 HIS CB . 34730 1 63 . 1 . 1 7 7 HIS N N 15 119.610 0.000 . . . . . . A 25 HIS N . 34730 1 64 . 1 . 1 8 8 GLY H H 1 8.403 0.000 . . . . . . A 26 GLY H . 34730 1 65 . 1 . 1 8 8 GLY HA2 H 1 3.999 0.000 . . . . . . A 26 GLY HA2 . 34730 1 66 . 1 . 1 8 8 GLY HA3 H 1 3.962 0.000 . . . . . . A 26 GLY HA3 . 34730 1 67 . 1 . 1 8 8 GLY C C 13 173.720 0.000 . . . . . . A 26 GLY C . 34730 1 68 . 1 . 1 8 8 GLY CA C 13 45.270 0.000 . . . . . . A 26 GLY CA . 34730 1 69 . 1 . 1 8 8 GLY N N 15 110.590 0.000 . . . . . . A 26 GLY N . 34730 1 70 . 1 . 1 9 9 ARG H H 1 8.213 0.000 . . . . . . A 27 ARG H . 34730 1 71 . 1 . 1 9 9 ARG HA H 1 4.292 0.000 . . . . . . A 27 ARG HA . 34730 1 72 . 1 . 1 9 9 ARG HB2 H 1 1.816 0.000 . . . . . . A 27 ARG HB2 . 34730 1 73 . 1 . 1 9 9 ARG HB3 H 1 1.788 0.000 . . . . . . A 27 ARG HB3 . 34730 1 74 . 1 . 1 9 9 ARG HG2 H 1 1.655 0.000 . . . . . . A 27 ARG HG2 . 34730 1 75 . 1 . 1 9 9 ARG HG3 H 1 1.562 0.000 . . . . . . A 27 ARG HG3 . 34730 1 76 . 1 . 1 9 9 ARG HD2 H 1 3.187 0.000 . . . . . . A 27 ARG HD2 . 34730 1 77 . 1 . 1 9 9 ARG HD3 H 1 3.169 0.000 . . . . . . A 27 ARG HD3 . 34730 1 78 . 1 . 1 9 9 ARG HE H 1 7.273 0.000 . . . . . . A 27 ARG HE . 34730 1 79 . 1 . 1 9 9 ARG C C 13 175.980 0.000 . . . . . . A 27 ARG C . 34730 1 80 . 1 . 1 9 9 ARG CA C 13 56.330 0.000 . . . . . . A 27 ARG CA . 34730 1 81 . 1 . 1 9 9 ARG CB C 13 31.090 0.000 . . . . . . A 27 ARG CB . 34730 1 82 . 1 . 1 9 9 ARG N N 15 120.610 0.000 . . . . . . A 27 ARG N . 34730 1 83 . 1 . 1 9 9 ARG NE N 15 84.730 0.000 . . . . . . A 27 ARG NE . 34730 1 84 . 1 . 1 10 10 ASP H H 1 8.351 0.000 . . . . . . A 28 ASP H . 34730 1 85 . 1 . 1 10 10 ASP HA H 1 4.617 0.000 . . . . . . A 28 ASP HA . 34730 1 86 . 1 . 1 10 10 ASP HB2 H 1 2.691 0.000 . . . . . . A 28 ASP HB2 . 34730 1 87 . 1 . 1 10 10 ASP HB3 H 1 2.635 0.000 . . . . . . A 28 ASP HB3 . 34730 1 88 . 1 . 1 10 10 ASP C C 13 175.630 0.000 . . . . . . A 28 ASP C . 34730 1 89 . 1 . 1 10 10 ASP CA C 13 53.970 0.000 . . . . . . A 28 ASP CA . 34730 1 90 . 1 . 1 10 10 ASP CB C 13 41.080 0.000 . . . . . . A 28 ASP CB . 34730 1 91 . 1 . 1 10 10 ASP N N 15 119.760 0.000 . . . . . . A 28 ASP N . 34730 1 92 . 1 . 1 11 11 ASP H H 1 7.843 0.000 . . . . . . A 29 ASP H . 34730 1 93 . 1 . 1 11 11 ASP HA H 1 4.540 0.000 . . . . . . A 29 ASP HA . 34730 1 94 . 1 . 1 11 11 ASP HB2 H 1 2.495 0.000 . . . . . . A 29 ASP HB2 . 34730 1 95 . 1 . 1 11 11 ASP HB3 H 1 2.752 0.000 . . . . . . A 29 ASP HB3 . 34730 1 96 . 1 . 1 11 11 ASP C C 13 174.790 0.000 . . . . . . A 29 ASP C . 34730 1 97 . 1 . 1 11 11 ASP CA C 13 53.380 0.000 . . . . . . A 29 ASP CA . 34730 1 98 . 1 . 1 11 11 ASP CB C 13 40.670 0.000 . . . . . . A 29 ASP CB . 34730 1 99 . 1 . 1 11 11 ASP N N 15 119.170 0.000 . . . . . . A 29 ASP N . 34730 1 100 . 1 . 1 12 12 TYR H H 1 5.930 0.000 . . . . . . A 30 TYR H . 34730 1 101 . 1 . 1 12 12 TYR HA H 1 3.579 0.000 . . . . . . A 30 TYR HA . 34730 1 102 . 1 . 1 12 12 TYR HB2 H 1 2.749 0.000 . . . . . . A 30 TYR HB2 . 34730 1 103 . 1 . 1 12 12 TYR HB3 H 1 1.010 0.000 . . . . . . A 30 TYR HB3 . 34730 1 104 . 1 . 1 12 12 TYR HD1 H 1 5.732 0.000 . . . . . . A 30 TYR HD1 . 34730 1 105 . 1 . 1 12 12 TYR HD2 H 1 5.732 0.000 . . . . . . A 30 TYR HD2 . 34730 1 106 . 1 . 1 12 12 TYR HE1 H 1 6.613 0.000 . . . . . . A 30 TYR HE1 . 34730 1 107 . 1 . 1 12 12 TYR HE2 H 1 6.613 0.000 . . . . . . A 30 TYR HE2 . 34730 1 108 . 1 . 1 12 12 TYR C C 13 173.810 0.000 . . . . . . A 30 TYR C . 34730 1 109 . 1 . 1 12 12 TYR CA C 13 57.690 0.000 . . . . . . A 30 TYR CA . 34730 1 110 . 1 . 1 12 12 TYR CB C 13 38.200 0.000 . . . . . . A 30 TYR CB . 34730 1 111 . 1 . 1 12 12 TYR N N 15 115.620 0.000 . . . . . . A 30 TYR N . 34730 1 112 . 1 . 1 13 13 ASP H H 1 7.441 0.000 . . . . . . A 31 ASP H . 34730 1 113 . 1 . 1 13 13 ASP HA H 1 5.010 0.000 . . . . . . A 31 ASP HA . 34730 1 114 . 1 . 1 13 13 ASP HB2 H 1 1.882 0.000 . . . . . . A 31 ASP HB2 . 34730 1 115 . 1 . 1 13 13 ASP HB3 H 1 2.363 0.000 . . . . . . A 31 ASP HB3 . 34730 1 116 . 1 . 1 13 13 ASP C C 13 178.660 0.000 . . . . . . A 31 ASP C . 34730 1 117 . 1 . 1 13 13 ASP CA C 13 56.000 0.000 . . . . . . A 31 ASP CA . 34730 1 118 . 1 . 1 13 13 ASP CB C 13 44.560 0.000 . . . . . . A 31 ASP CB . 34730 1 119 . 1 . 1 13 13 ASP N N 15 114.290 0.000 . . . . . . A 31 ASP N . 34730 1 120 . 1 . 1 14 14 CYS H H 1 8.331 0.000 . . . . . . A 32 CYS H . 34730 1 121 . 1 . 1 14 14 CYS HA H 1 5.414 0.000 . . . . . . A 32 CYS HA . 34730 1 122 . 1 . 1 14 14 CYS HB2 H 1 2.255 0.000 . . . . . . A 32 CYS HB2 . 34730 1 123 . 1 . 1 14 14 CYS HB3 H 1 2.907 0.000 . . . . . . A 32 CYS HB3 . 34730 1 124 . 1 . 1 14 14 CYS C C 13 172.360 0.000 . . . . . . A 32 CYS C . 34730 1 125 . 1 . 1 14 14 CYS CA C 13 53.020 0.000 . . . . . . A 32 CYS CA . 34730 1 126 . 1 . 1 14 14 CYS CB C 13 42.060 0.000 . . . . . . A 32 CYS CB . 34730 1 127 . 1 . 1 14 14 CYS N N 15 117.380 0.000 . . . . . . A 32 CYS N . 34730 1 128 . 1 . 1 15 15 THR H H 1 9.219 0.000 . . . . . . A 33 THR H . 34730 1 129 . 1 . 1 15 15 THR HA H 1 4.956 0.000 . . . . . . A 33 THR HA . 34730 1 130 . 1 . 1 15 15 THR HB H 1 3.318 0.000 . . . . . . A 33 THR HB . 34730 1 131 . 1 . 1 15 15 THR HG1 H 1 6.501 0.000 . . . . . . A 33 THR HG1 . 34730 1 132 . 1 . 1 15 15 THR HG21 H 1 0.609 0.000 . . . . . . A 33 THR HG21 . 34730 1 133 . 1 . 1 15 15 THR HG22 H 1 0.609 0.000 . . . . . . A 33 THR HG22 . 34730 1 134 . 1 . 1 15 15 THR HG23 H 1 0.609 0.000 . . . . . . A 33 THR HG23 . 34730 1 135 . 1 . 1 15 15 THR C C 13 172.900 0.000 . . . . . . A 33 THR C . 34730 1 136 . 1 . 1 15 15 THR CA C 13 64.180 0.000 . . . . . . A 33 THR CA . 34730 1 137 . 1 . 1 15 15 THR CB C 13 71.890 0.000 . . . . . . A 33 THR CB . 34730 1 138 . 1 . 1 15 15 THR N N 15 121.540 0.000 . . . . . . A 33 THR N . 34730 1 139 . 1 . 1 16 16 VAL H H 1 9.103 0.000 . . . . . . A 34 VAL H . 34730 1 140 . 1 . 1 16 16 VAL HA H 1 4.678 0.000 . . . . . . A 34 VAL HA . 34730 1 141 . 1 . 1 16 16 VAL HB H 1 1.716 0.000 . . . . . . A 34 VAL HB . 34730 1 142 . 1 . 1 16 16 VAL HG11 H 1 0.473 0.000 . . . . . . A 34 VAL HG11 . 34730 1 143 . 1 . 1 16 16 VAL HG12 H 1 0.473 0.000 . . . . . . A 34 VAL HG12 . 34730 1 144 . 1 . 1 16 16 VAL HG13 H 1 0.473 0.000 . . . . . . A 34 VAL HG13 . 34730 1 145 . 1 . 1 16 16 VAL HG21 H 1 0.764 0.000 . . . . . . A 34 VAL HG21 . 34730 1 146 . 1 . 1 16 16 VAL HG22 H 1 0.764 0.000 . . . . . . A 34 VAL HG22 . 34730 1 147 . 1 . 1 16 16 VAL HG23 H 1 0.764 0.000 . . . . . . A 34 VAL HG23 . 34730 1 148 . 1 . 1 16 16 VAL C C 13 173.500 0.000 . . . . . . A 34 VAL C . 34730 1 149 . 1 . 1 16 16 VAL CA C 13 60.550 0.000 . . . . . . A 34 VAL CA . 34730 1 150 . 1 . 1 16 16 VAL CB C 13 34.120 0.000 . . . . . . A 34 VAL CB . 34730 1 151 . 1 . 1 16 16 VAL N N 15 125.860 0.000 . . . . . . A 34 VAL N . 34730 1 152 . 1 . 1 17 17 ILE H H 1 8.648 0.000 . . . . . . A 35 ILE H . 34730 1 153 . 1 . 1 17 17 ILE HA H 1 5.031 0.000 . . . . . . A 35 ILE HA . 34730 1 154 . 1 . 1 17 17 ILE HB H 1 1.598 0.000 . . . . . . A 35 ILE HB . 34730 1 155 . 1 . 1 17 17 ILE HG12 H 1 0.860 0.000 . . . . . . A 35 ILE HG12 . 34730 1 156 . 1 . 1 17 17 ILE HG13 H 1 0.832 0.000 . . . . . . A 35 ILE HG13 . 34730 1 157 . 1 . 1 17 17 ILE HG21 H 1 0.764 0.000 . . . . . . A 35 ILE HG21 . 34730 1 158 . 1 . 1 17 17 ILE HG22 H 1 0.764 0.000 . . . . . . A 35 ILE HG22 . 34730 1 159 . 1 . 1 17 17 ILE HG23 H 1 0.764 0.000 . . . . . . A 35 ILE HG23 . 34730 1 160 . 1 . 1 17 17 ILE HD11 H 1 0.798 0.000 . . . . . . A 35 ILE HD11 . 34730 1 161 . 1 . 1 17 17 ILE HD12 H 1 0.798 0.000 . . . . . . A 35 ILE HD12 . 34730 1 162 . 1 . 1 17 17 ILE HD13 H 1 0.798 0.000 . . . . . . A 35 ILE HD13 . 34730 1 163 . 1 . 1 17 17 ILE C C 13 175.590 0.000 . . . . . . A 35 ILE C . 34730 1 164 . 1 . 1 17 17 ILE CA C 13 60.260 0.000 . . . . . . A 35 ILE CA . 34730 1 165 . 1 . 1 17 17 ILE CB C 13 41.140 0.000 . . . . . . A 35 ILE CB . 34730 1 166 . 1 . 1 17 17 ILE N N 15 124.580 0.000 . . . . . . A 35 ILE N . 34730 1 167 . 1 . 1 18 18 PHE H H 1 9.659 0.000 . . . . . . A 36 PHE H . 34730 1 168 . 1 . 1 18 18 PHE HA H 1 5.150 0.000 . . . . . . A 36 PHE HA . 34730 1 169 . 1 . 1 18 18 PHE HB2 H 1 3.177 0.000 . . . . . . A 36 PHE HB2 . 34730 1 170 . 1 . 1 18 18 PHE HB3 H 1 2.751 0.000 . . . . . . A 36 PHE HB3 . 34730 1 171 . 1 . 1 18 18 PHE HD1 H 1 6.928 0.000 . . . . . . A 36 PHE HD1 . 34730 1 172 . 1 . 1 18 18 PHE HD2 H 1 6.928 0.000 . . . . . . A 36 PHE HD2 . 34730 1 173 . 1 . 1 18 18 PHE HE1 H 1 6.822 0.000 . . . . . . A 36 PHE HE1 . 34730 1 174 . 1 . 1 18 18 PHE HE2 H 1 6.822 0.000 . . . . . . A 36 PHE HE2 . 34730 1 175 . 1 . 1 18 18 PHE HZ H 1 6.802 0.000 . . . . . . A 36 PHE HZ . 34730 1 176 . 1 . 1 18 18 PHE C C 13 175.460 0.000 . . . . . . A 36 PHE C . 34730 1 177 . 1 . 1 18 18 PHE CA C 13 56.910 0.000 . . . . . . A 36 PHE CA . 34730 1 178 . 1 . 1 18 18 PHE CB C 13 41.770 0.000 . . . . . . A 36 PHE CB . 34730 1 179 . 1 . 1 18 18 PHE N N 15 125.780 0.000 . . . . . . A 36 PHE N . 34730 1 180 . 1 . 1 19 19 ARG H H 1 9.001 0.000 . . . . . . A 37 ARG H . 34730 1 181 . 1 . 1 19 19 ARG HA H 1 4.779 0.000 . . . . . . A 37 ARG HA . 34730 1 182 . 1 . 1 19 19 ARG HB2 H 1 1.694 0.000 . . . . . . A 37 ARG HB2 . 34730 1 183 . 1 . 1 19 19 ARG HB3 H 1 1.591 0.000 . . . . . . A 37 ARG HB3 . 34730 1 184 . 1 . 1 19 19 ARG HG2 H 1 1.529 0.000 . . . . . . A 37 ARG HG2 . 34730 1 185 . 1 . 1 19 19 ARG HG3 H 1 1.426 0.000 . . . . . . A 37 ARG HG3 . 34730 1 186 . 1 . 1 19 19 ARG HD2 H 1 3.077 0.000 . . . . . . A 37 ARG HD2 . 34730 1 187 . 1 . 1 19 19 ARG HD3 H 1 3.018 0.000 . . . . . . A 37 ARG HD3 . 34730 1 188 . 1 . 1 19 19 ARG HE H 1 7.361 0.000 . . . . . . A 37 ARG HE . 34730 1 189 . 1 . 1 19 19 ARG C C 13 174.120 0.000 . . . . . . A 37 ARG C . 34730 1 190 . 1 . 1 19 19 ARG CA C 13 55.030 0.000 . . . . . . A 37 ARG CA . 34730 1 191 . 1 . 1 19 19 ARG CB C 13 32.940 0.000 . . . . . . A 37 ARG CB . 34730 1 192 . 1 . 1 19 19 ARG N N 15 121.500 0.000 . . . . . . A 37 ARG N . 34730 1 193 . 1 . 1 19 19 ARG NE N 15 84.880 0.000 . . . . . . A 37 ARG NE . 34730 1 194 . 1 . 1 20 20 ASN H H 1 8.736 0.000 . . . . . . A 38 ASN H . 34730 1 195 . 1 . 1 20 20 ASN HA H 1 3.919 0.000 . . . . . . A 38 ASN HA . 34730 1 196 . 1 . 1 20 20 ASN HB2 H 1 2.443 0.000 . . . . . . A 38 ASN HB2 . 34730 1 197 . 1 . 1 20 20 ASN HB3 H 1 2.847 0.000 . . . . . . A 38 ASN HB3 . 34730 1 198 . 1 . 1 20 20 ASN HD21 H 1 7.125 0.000 . . . . . . A 38 ASN HD21 . 34730 1 199 . 1 . 1 20 20 ASN HD22 H 1 7.020 0.000 . . . . . . A 38 ASN HD22 . 34730 1 200 . 1 . 1 20 20 ASN C C 13 176.390 0.000 . . . . . . A 38 ASN C . 34730 1 201 . 1 . 1 20 20 ASN CA C 13 52.700 0.000 . . . . . . A 38 ASN CA . 34730 1 202 . 1 . 1 20 20 ASN CB C 13 39.090 0.000 . . . . . . A 38 ASN CB . 34730 1 203 . 1 . 1 20 20 ASN N N 15 122.900 0.000 . . . . . . A 38 ASN N . 34730 1 204 . 1 . 1 20 20 ASN ND2 N 15 112.050 0.000 . . . . . . A 38 ASN ND2 . 34730 1 205 . 1 . 1 21 21 ASN H H 1 8.628 0.000 . . . . . . A 39 ASN H . 34730 1 206 . 1 . 1 21 21 ASN HA H 1 4.334 0.000 . . . . . . A 39 ASN HA . 34730 1 207 . 1 . 1 21 21 ASN HB2 H 1 2.632 0.000 . . . . . . A 39 ASN HB2 . 34730 1 208 . 1 . 1 21 21 ASN HB3 H 1 2.444 0.000 . . . . . . A 39 ASN HB3 . 34730 1 209 . 1 . 1 21 21 ASN HD21 H 1 7.291 0.000 . . . . . . A 39 ASN HD21 . 34730 1 210 . 1 . 1 21 21 ASN HD22 H 1 6.695 0.000 . . . . . . A 39 ASN HD22 . 34730 1 211 . 1 . 1 21 21 ASN C C 13 176.260 0.000 . . . . . . A 39 ASN C . 34730 1 212 . 1 . 1 21 21 ASN CA C 13 54.900 0.000 . . . . . . A 39 ASN CA . 34730 1 213 . 1 . 1 21 21 ASN CB C 13 38.050 0.000 . . . . . . A 39 ASN CB . 34730 1 214 . 1 . 1 21 21 ASN N N 15 124.950 0.000 . . . . . . A 39 ASN N . 34730 1 215 . 1 . 1 21 21 ASN ND2 N 15 110.620 0.000 . . . . . . A 39 ASN ND2 . 34730 1 216 . 1 . 1 22 22 HIS H H 1 8.359 0.000 . . . . . . A 40 HIS H . 34730 1 217 . 1 . 1 22 22 HIS HA H 1 4.710 0.000 . . . . . . A 40 HIS HA . 34730 1 218 . 1 . 1 22 22 HIS HB2 H 1 3.181 0.000 . . . . . . A 40 HIS HB2 . 34730 1 219 . 1 . 1 22 22 HIS HB3 H 1 3.347 0.000 . . . . . . A 40 HIS HB3 . 34730 1 220 . 1 . 1 22 22 HIS HD2 H 1 7.305 0.000 . . . . . . A 40 HIS HD2 . 34730 1 221 . 1 . 1 22 22 HIS HE1 H 1 8.590 0.000 . . . . . . A 40 HIS HE1 . 34730 1 222 . 1 . 1 22 22 HIS C C 13 173.770 0.000 . . . . . . A 40 HIS C . 34730 1 223 . 1 . 1 22 22 HIS CA C 13 55.470 0.000 . . . . . . A 40 HIS CA . 34730 1 224 . 1 . 1 22 22 HIS CB C 13 28.560 0.000 . . . . . . A 40 HIS CB . 34730 1 225 . 1 . 1 22 22 HIS N N 15 115.160 0.000 . . . . . . A 40 HIS N . 34730 1 226 . 1 . 1 23 23 ALA H H 1 7.333 0.000 . . . . . . A 41 ALA H . 34730 1 227 . 1 . 1 23 23 ALA HA H 1 4.876 0.000 . . . . . . A 41 ALA HA . 34730 1 228 . 1 . 1 23 23 ALA HB1 H 1 1.140 0.000 . . . . . . A 41 ALA HB1 . 34730 1 229 . 1 . 1 23 23 ALA HB2 H 1 1.140 0.000 . . . . . . A 41 ALA HB2 . 34730 1 230 . 1 . 1 23 23 ALA HB3 H 1 1.140 0.000 . . . . . . A 41 ALA HB3 . 34730 1 231 . 1 . 1 23 23 ALA C C 13 174.120 0.000 . . . . . . A 41 ALA C . 34730 1 232 . 1 . 1 23 23 ALA CA C 13 49.980 0.000 . . . . . . A 41 ALA CA . 34730 1 233 . 1 . 1 23 23 ALA CB C 13 18.780 0.000 . . . . . . A 41 ALA CB . 34730 1 234 . 1 . 1 23 23 ALA N N 15 122.590 0.000 . . . . . . A 41 ALA N . 34730 1 235 . 1 . 1 24 24 PRO HA H 1 4.438 0.000 . . . . . . A 42 PRO HA . 34730 1 236 . 1 . 1 24 24 PRO HB2 H 1 2.275 0.000 . . . . . . A 42 PRO HB2 . 34730 1 237 . 1 . 1 24 24 PRO HB3 H 1 1.968 0.000 . . . . . . A 42 PRO HB3 . 34730 1 238 . 1 . 1 24 24 PRO HG2 H 1 1.997 0.000 . . . . . . A 42 PRO HG2 . 34730 1 239 . 1 . 1 24 24 PRO HG3 H 1 1.984 0.000 . . . . . . A 42 PRO HG3 . 34730 1 240 . 1 . 1 24 24 PRO HD2 H 1 3.703 0.000 . . . . . . A 42 PRO HD2 . 34730 1 241 . 1 . 1 24 24 PRO HD3 H 1 3.364 0.000 . . . . . . A 42 PRO HD3 . 34730 1 242 . 1 . 1 24 24 PRO C C 13 177.040 0.000 . . . . . . A 42 PRO C . 34730 1 243 . 1 . 1 24 24 PRO CA C 13 64.520 0.000 . . . . . . A 42 PRO CA . 34730 1 244 . 1 . 1 24 24 PRO CB C 13 31.920 0.000 . . . . . . A 42 PRO CB . 34730 1 245 . 1 . 1 25 25 GLU H H 1 9.341 0.000 . . . . . . A 43 GLU H . 34730 1 246 . 1 . 1 25 25 GLU HA H 1 4.315 0.000 . . . . . . A 43 GLU HA . 34730 1 247 . 1 . 1 25 25 GLU HB2 H 1 2.100 0.000 . . . . . . A 43 GLU HB2 . 34730 1 248 . 1 . 1 25 25 GLU HB3 H 1 1.995 0.000 . . . . . . A 43 GLU HB3 . 34730 1 249 . 1 . 1 25 25 GLU HG2 H 1 2.378 0.000 . . . . . . A 43 GLU HG2 . 34730 1 250 . 1 . 1 25 25 GLU HG3 H 1 2.161 0.000 . . . . . . A 43 GLU HG3 . 34730 1 251 . 1 . 1 25 25 GLU C C 13 176.940 0.000 . . . . . . A 43 GLU C . 34730 1 252 . 1 . 1 25 25 GLU CA C 13 56.740 0.000 . . . . . . A 43 GLU CA . 34730 1 253 . 1 . 1 25 25 GLU CB C 13 28.360 0.000 . . . . . . A 43 GLU CB . 34730 1 254 . 1 . 1 25 25 GLU N N 15 118.270 0.000 . . . . . . A 43 GLU N . 34730 1 255 . 1 . 1 26 26 ARG H H 1 7.696 0.000 . . . . . . A 44 ARG H . 34730 1 256 . 1 . 1 26 26 ARG HA H 1 4.327 0.000 . . . . . . A 44 ARG HA . 34730 1 257 . 1 . 1 26 26 ARG HB2 H 1 2.002 0.000 . . . . . . A 44 ARG HB2 . 34730 1 258 . 1 . 1 26 26 ARG HB3 H 1 1.919 0.000 . . . . . . A 44 ARG HB3 . 34730 1 259 . 1 . 1 26 26 ARG HG2 H 1 1.791 0.000 . . . . . . A 44 ARG HG2 . 34730 1 260 . 1 . 1 26 26 ARG HG3 H 1 1.754 0.000 . . . . . . A 44 ARG HG3 . 34730 1 261 . 1 . 1 26 26 ARG HD2 H 1 3.281 0.000 . . . . . . A 44 ARG HD2 . 34730 1 262 . 1 . 1 26 26 ARG HD3 H 1 3.188 0.000 . . . . . . A 44 ARG HD3 . 34730 1 263 . 1 . 1 26 26 ARG HE H 1 7.322 0.000 . . . . . . A 44 ARG HE . 34730 1 264 . 1 . 1 26 26 ARG C C 13 176.320 0.000 . . . . . . A 44 ARG C . 34730 1 265 . 1 . 1 26 26 ARG CA C 13 55.980 0.000 . . . . . . A 44 ARG CA . 34730 1 266 . 1 . 1 26 26 ARG CB C 13 30.880 0.000 . . . . . . A 44 ARG CB . 34730 1 267 . 1 . 1 26 26 ARG N N 15 121.680 0.000 . . . . . . A 44 ARG N . 34730 1 268 . 1 . 1 26 26 ARG NE N 15 84.690 0.000 . . . . . . A 44 ARG NE . 34730 1 269 . 1 . 1 27 27 GLN H H 1 8.632 0.000 . . . . . . A 45 GLN H . 34730 1 270 . 1 . 1 27 27 GLN HA H 1 4.386 0.000 . . . . . . A 45 GLN HA . 34730 1 271 . 1 . 1 27 27 GLN HB2 H 1 2.125 0.000 . . . . . . A 45 GLN HB2 . 34730 1 272 . 1 . 1 27 27 GLN HB3 H 1 1.998 0.000 . . . . . . A 45 GLN HB3 . 34730 1 273 . 1 . 1 27 27 GLN HG2 H 1 2.517 0.000 . . . . . . A 45 GLN HG2 . 34730 1 274 . 1 . 1 27 27 GLN HG3 H 1 2.482 0.000 . . . . . . A 45 GLN HG3 . 34730 1 275 . 1 . 1 27 27 GLN HE21 H 1 7.598 0.000 . . . . . . A 45 GLN HE21 . 34730 1 276 . 1 . 1 27 27 GLN HE22 H 1 6.905 0.000 . . . . . . A 45 GLN HE22 . 34730 1 277 . 1 . 1 27 27 GLN C C 13 174.550 0.000 . . . . . . A 45 GLN C . 34730 1 278 . 1 . 1 27 27 GLN CA C 13 54.650 0.000 . . . . . . A 45 GLN CA . 34730 1 279 . 1 . 1 27 27 GLN CB C 13 28.330 0.000 . . . . . . A 45 GLN CB . 34730 1 280 . 1 . 1 27 27 GLN N N 15 123.430 0.000 . . . . . . A 45 GLN N . 34730 1 281 . 1 . 1 27 27 GLN NE2 N 15 112.270 0.000 . . . . . . A 45 GLN NE2 . 34730 1 282 . 1 . 1 28 28 PRO HA H 1 4.759 0.000 . . . . . . A 46 PRO HA . 34730 1 283 . 1 . 1 28 28 PRO HB2 H 1 2.073 0.000 . . . . . . A 46 PRO HB2 . 34730 1 284 . 1 . 1 28 28 PRO HB3 H 1 1.689 0.000 . . . . . . A 46 PRO HB3 . 34730 1 285 . 1 . 1 28 28 PRO HG2 H 1 1.953 0.000 . . . . . . A 46 PRO HG2 . 34730 1 286 . 1 . 1 28 28 PRO HG3 H 1 1.918 0.000 . . . . . . A 46 PRO HG3 . 34730 1 287 . 1 . 1 28 28 PRO HD2 H 1 3.847 0.000 . . . . . . A 46 PRO HD2 . 34730 1 288 . 1 . 1 28 28 PRO HD3 H 1 3.628 0.000 . . . . . . A 46 PRO HD3 . 34730 1 289 . 1 . 1 28 28 PRO C C 13 175.750 0.000 . . . . . . A 46 PRO C . 34730 1 290 . 1 . 1 28 28 PRO CA C 13 62.840 0.000 . . . . . . A 46 PRO CA . 34730 1 291 . 1 . 1 28 28 PRO CB C 13 32.820 0.000 . . . . . . A 46 PRO CB . 34730 1 292 . 1 . 1 29 29 ILE H H 1 8.642 0.000 . . . . . . A 47 ILE H . 34730 1 293 . 1 . 1 29 29 ILE HA H 1 4.247 0.000 . . . . . . A 47 ILE HA . 34730 1 294 . 1 . 1 29 29 ILE HB H 1 1.881 0.000 . . . . . . A 47 ILE HB . 34730 1 295 . 1 . 1 29 29 ILE HG12 H 1 1.683 0.000 . . . . . . A 47 ILE HG12 . 34730 1 296 . 1 . 1 29 29 ILE HG13 H 1 1.230 0.000 . . . . . . A 47 ILE HG13 . 34730 1 297 . 1 . 1 29 29 ILE HG21 H 1 0.814 0.000 . . . . . . A 47 ILE HG21 . 34730 1 298 . 1 . 1 29 29 ILE HG22 H 1 0.814 0.000 . . . . . . A 47 ILE HG22 . 34730 1 299 . 1 . 1 29 29 ILE HG23 H 1 0.814 0.000 . . . . . . A 47 ILE HG23 . 34730 1 300 . 1 . 1 29 29 ILE HD11 H 1 0.892 0.000 . . . . . . A 47 ILE HD11 . 34730 1 301 . 1 . 1 29 29 ILE HD12 H 1 0.892 0.000 . . . . . . A 47 ILE HD12 . 34730 1 302 . 1 . 1 29 29 ILE HD13 H 1 0.892 0.000 . . . . . . A 47 ILE HD13 . 34730 1 303 . 1 . 1 29 29 ILE C C 13 174.600 0.000 . . . . . . A 47 ILE C . 34730 1 304 . 1 . 1 29 29 ILE CA C 13 61.180 0.000 . . . . . . A 47 ILE CA . 34730 1 305 . 1 . 1 29 29 ILE CB C 13 39.630 0.000 . . . . . . A 47 ILE CB . 34730 1 306 . 1 . 1 29 29 ILE N N 15 123.100 0.000 . . . . . . A 47 ILE N . 34730 1 307 . 1 . 1 30 30 VAL H H 1 8.386 0.000 . . . . . . A 48 VAL H . 34730 1 308 . 1 . 1 30 30 VAL HA H 1 4.373 0.000 . . . . . . A 48 VAL HA . 34730 1 309 . 1 . 1 30 30 VAL HB H 1 1.763 0.000 . . . . . . A 48 VAL HB . 34730 1 310 . 1 . 1 30 30 VAL HG11 H 1 0.838 0.000 . . . . . . A 48 VAL HG11 . 34730 1 311 . 1 . 1 30 30 VAL HG12 H 1 0.838 0.000 . . . . . . A 48 VAL HG12 . 34730 1 312 . 1 . 1 30 30 VAL HG13 H 1 0.838 0.000 . . . . . . A 48 VAL HG13 . 34730 1 313 . 1 . 1 30 30 VAL HG21 H 1 0.225 0.000 . . . . . . A 48 VAL HG21 . 34730 1 314 . 1 . 1 30 30 VAL HG22 H 1 0.225 0.000 . . . . . . A 48 VAL HG22 . 34730 1 315 . 1 . 1 30 30 VAL HG23 H 1 0.225 0.000 . . . . . . A 48 VAL HG23 . 34730 1 316 . 1 . 1 30 30 VAL C C 13 175.250 0.000 . . . . . . A 48 VAL C . 34730 1 317 . 1 . 1 30 30 VAL CA C 13 61.900 0.000 . . . . . . A 48 VAL CA . 34730 1 318 . 1 . 1 30 30 VAL CB C 13 33.080 0.000 . . . . . . A 48 VAL CB . 34730 1 319 . 1 . 1 30 30 VAL N N 15 128.840 0.000 . . . . . . A 48 VAL N . 34730 1 320 . 1 . 1 31 31 VAL H H 1 9.008 0.000 . . . . . . A 49 VAL H . 34730 1 321 . 1 . 1 31 31 VAL HA H 1 4.022 0.000 . . . . . . A 49 VAL HA . 34730 1 322 . 1 . 1 31 31 VAL HB H 1 1.907 0.000 . . . . . . A 49 VAL HB . 34730 1 323 . 1 . 1 31 31 VAL HG11 H 1 0.796 0.000 . . . . . . A 49 VAL HG11 . 34730 1 324 . 1 . 1 31 31 VAL HG12 H 1 0.796 0.000 . . . . . . A 49 VAL HG12 . 34730 1 325 . 1 . 1 31 31 VAL HG13 H 1 0.796 0.000 . . . . . . A 49 VAL HG13 . 34730 1 326 . 1 . 1 31 31 VAL HG21 H 1 0.847 0.000 . . . . . . A 49 VAL HG21 . 34730 1 327 . 1 . 1 31 31 VAL HG22 H 1 0.847 0.000 . . . . . . A 49 VAL HG22 . 34730 1 328 . 1 . 1 31 31 VAL HG23 H 1 0.847 0.000 . . . . . . A 49 VAL HG23 . 34730 1 329 . 1 . 1 31 31 VAL C C 13 172.750 0.000 . . . . . . A 49 VAL C . 34730 1 330 . 1 . 1 31 31 VAL CA C 13 60.730 0.000 . . . . . . A 49 VAL CA . 34730 1 331 . 1 . 1 31 31 VAL CB C 13 34.930 0.000 . . . . . . A 49 VAL CB . 34730 1 332 . 1 . 1 31 31 VAL N N 15 128.140 0.000 . . . . . . A 49 VAL N . 34730 1 333 . 1 . 1 32 32 HIS H H 1 7.655 0.000 . . . . . . A 50 HIS H . 34730 1 334 . 1 . 1 32 32 HIS HA H 1 5.489 0.000 . . . . . . A 50 HIS HA . 34730 1 335 . 1 . 1 32 32 HIS HB2 H 1 1.263 0.000 . . . . . . A 50 HIS HB2 . 34730 1 336 . 1 . 1 32 32 HIS HB3 H 1 1.679 0.000 . . . . . . A 50 HIS HB3 . 34730 1 337 . 1 . 1 32 32 HIS HD2 H 1 6.699 0.000 . . . . . . A 50 HIS HD2 . 34730 1 338 . 1 . 1 32 32 HIS C C 13 175.530 0.000 . . . . . . A 50 HIS C . 34730 1 339 . 1 . 1 32 32 HIS CA C 13 53.310 0.000 . . . . . . A 50 HIS CA . 34730 1 340 . 1 . 1 32 32 HIS CB C 13 30.880 0.000 . . . . . . A 50 HIS CB . 34730 1 341 . 1 . 1 32 32 HIS N N 15 125.160 0.000 . . . . . . A 50 HIS N . 34730 1 342 . 1 . 1 33 33 THR H H 1 8.892 0.000 . . . . . . A 51 THR H . 34730 1 343 . 1 . 1 33 33 THR HA H 1 4.404 0.000 . . . . . . A 51 THR HA . 34730 1 344 . 1 . 1 33 33 THR HB H 1 3.990 0.000 . . . . . . A 51 THR HB . 34730 1 345 . 1 . 1 33 33 THR HG21 H 1 0.972 0.000 . . . . . . A 51 THR HG21 . 34730 1 346 . 1 . 1 33 33 THR HG22 H 1 0.972 0.000 . . . . . . A 51 THR HG22 . 34730 1 347 . 1 . 1 33 33 THR HG23 H 1 0.972 0.000 . . . . . . A 51 THR HG23 . 34730 1 348 . 1 . 1 33 33 THR C C 13 173.150 0.000 . . . . . . A 51 THR C . 34730 1 349 . 1 . 1 33 33 THR CA C 13 59.360 0.000 . . . . . . A 51 THR CA . 34730 1 350 . 1 . 1 33 33 THR CB C 13 69.270 0.000 . . . . . . A 51 THR CB . 34730 1 351 . 1 . 1 33 33 THR N N 15 115.250 0.000 . . . . . . A 51 THR N . 34730 1 352 . 1 . 1 34 34 TYR H H 1 8.750 0.000 . . . . . . A 52 TYR H . 34730 1 353 . 1 . 1 34 34 TYR HA H 1 5.020 0.000 . . . . . . A 52 TYR HA . 34730 1 354 . 1 . 1 34 34 TYR HB2 H 1 3.439 0.000 . . . . . . A 52 TYR HB2 . 34730 1 355 . 1 . 1 34 34 TYR HB3 H 1 2.489 0.000 . . . . . . A 52 TYR HB3 . 34730 1 356 . 1 . 1 34 34 TYR HD1 H 1 7.169 0.000 . . . . . . A 52 TYR HD1 . 34730 1 357 . 1 . 1 34 34 TYR HD2 H 1 7.169 0.000 . . . . . . A 52 TYR HD2 . 34730 1 358 . 1 . 1 34 34 TYR HE1 H 1 6.683 0.000 . . . . . . A 52 TYR HE1 . 34730 1 359 . 1 . 1 34 34 TYR HE2 H 1 6.683 0.000 . . . . . . A 52 TYR HE2 . 34730 1 360 . 1 . 1 34 34 TYR C C 13 174.380 0.000 . . . . . . A 52 TYR C . 34730 1 361 . 1 . 1 34 34 TYR CA C 13 57.390 0.000 . . . . . . A 52 TYR CA . 34730 1 362 . 1 . 1 34 34 TYR CB C 13 41.050 0.000 . . . . . . A 52 TYR CB . 34730 1 363 . 1 . 1 34 34 TYR N N 15 124.600 0.000 . . . . . . A 52 TYR N . 34730 1 364 . 1 . 1 35 35 TYR H H 1 9.752 0.000 . . . . . . A 53 TYR H . 34730 1 365 . 1 . 1 35 35 TYR HA H 1 4.264 0.000 . . . . . . A 53 TYR HA . 34730 1 366 . 1 . 1 35 35 TYR HB2 H 1 2.845 0.000 . . . . . . A 53 TYR HB2 . 34730 1 367 . 1 . 1 35 35 TYR HB3 H 1 3.083 0.000 . . . . . . A 53 TYR HB3 . 34730 1 368 . 1 . 1 35 35 TYR HD1 H 1 7.005 0.000 . . . . . . A 53 TYR HD1 . 34730 1 369 . 1 . 1 35 35 TYR HD2 H 1 7.005 0.000 . . . . . . A 53 TYR HD2 . 34730 1 370 . 1 . 1 35 35 TYR HE1 H 1 6.935 0.000 . . . . . . A 53 TYR HE1 . 34730 1 371 . 1 . 1 35 35 TYR HE2 H 1 6.935 0.000 . . . . . . A 53 TYR HE2 . 34730 1 372 . 1 . 1 35 35 TYR C C 13 177.820 0.000 . . . . . . A 53 TYR C . 34730 1 373 . 1 . 1 35 35 TYR CA C 13 59.350 0.000 . . . . . . A 53 TYR CA . 34730 1 374 . 1 . 1 35 35 TYR CB C 13 39.360 0.000 . . . . . . A 53 TYR CB . 34730 1 375 . 1 . 1 35 35 TYR N N 15 120.350 0.000 . . . . . . A 53 TYR N . 34730 1 376 . 1 . 1 36 36 SER H H 1 9.587 0.000 . . . . . . A 54 SER H . 34730 1 377 . 1 . 1 36 36 SER HA H 1 4.092 0.000 . . . . . . A 54 SER HA . 34730 1 378 . 1 . 1 36 36 SER HB2 H 1 4.310 0.000 . . . . . . A 54 SER HB2 . 34730 1 379 . 1 . 1 36 36 SER HB3 H 1 4.278 0.000 . . . . . . A 54 SER HB3 . 34730 1 380 . 1 . 1 36 36 SER C C 13 173.130 0.000 . . . . . . A 54 SER C . 34730 1 381 . 1 . 1 36 36 SER CA C 13 59.090 0.000 . . . . . . A 54 SER CA . 34730 1 382 . 1 . 1 36 36 SER CB C 13 61.710 0.000 . . . . . . A 54 SER CB . 34730 1 383 . 1 . 1 36 36 SER N N 15 112.620 0.000 . . . . . . A 54 SER N . 34730 1 384 . 1 . 1 37 37 ARG H H 1 7.482 0.000 . . . . . . A 55 ARG H . 34730 1 385 . 1 . 1 37 37 ARG HA H 1 4.450 0.000 . . . . . . A 55 ARG HA . 34730 1 386 . 1 . 1 37 37 ARG HB2 H 1 1.973 0.000 . . . . . . A 55 ARG HB2 . 34730 1 387 . 1 . 1 37 37 ARG HB3 H 1 2.018 0.000 . . . . . . A 55 ARG HB3 . 34730 1 388 . 1 . 1 37 37 ARG HG2 H 1 1.853 0.000 . . . . . . A 55 ARG HG2 . 34730 1 389 . 1 . 1 37 37 ARG HG3 H 1 1.822 0.000 . . . . . . A 55 ARG HG3 . 34730 1 390 . 1 . 1 37 37 ARG HD2 H 1 3.358 0.000 . . . . . . A 55 ARG HD2 . 34730 1 391 . 1 . 1 37 37 ARG HD3 H 1 3.334 0.000 . . . . . . A 55 ARG HD3 . 34730 1 392 . 1 . 1 37 37 ARG HE H 1 7.362 0.000 . . . . . . A 55 ARG HE . 34730 1 393 . 1 . 1 37 37 ARG C C 13 175.050 0.000 . . . . . . A 55 ARG C . 34730 1 394 . 1 . 1 37 37 ARG CA C 13 54.800 0.000 . . . . . . A 55 ARG CA . 34730 1 395 . 1 . 1 37 37 ARG CB C 13 31.180 0.000 . . . . . . A 55 ARG CB . 34730 1 396 . 1 . 1 37 37 ARG N N 15 120.890 0.000 . . . . . . A 55 ARG N . 34730 1 397 . 1 . 1 37 37 ARG NE N 15 84.400 0.000 . . . . . . A 55 ARG NE . 34730 1 398 . 1 . 1 38 38 ASP H H 1 8.283 0.000 . . . . . . A 56 ASP H . 34730 1 399 . 1 . 1 38 38 ASP HA H 1 4.723 0.000 . . . . . . A 56 ASP HA . 34730 1 400 . 1 . 1 38 38 ASP HB2 H 1 2.421 0.000 . . . . . . A 56 ASP HB2 . 34730 1 401 . 1 . 1 38 38 ASP HB3 H 1 2.546 0.000 . . . . . . A 56 ASP HB3 . 34730 1 402 . 1 . 1 38 38 ASP C C 13 175.710 0.000 . . . . . . A 56 ASP C . 34730 1 403 . 1 . 1 38 38 ASP CA C 13 54.050 0.000 . . . . . . A 56 ASP CA . 34730 1 404 . 1 . 1 38 38 ASP CB C 13 40.280 0.000 . . . . . . A 56 ASP CB . 34730 1 405 . 1 . 1 38 38 ASP N N 15 120.480 0.000 . . . . . . A 56 ASP N . 34730 1 406 . 1 . 1 39 39 LEU H H 1 9.194 0.000 . . . . . . A 57 LEU H . 34730 1 407 . 1 . 1 39 39 LEU HA H 1 4.777 0.000 . . . . . . A 57 LEU HA . 34730 1 408 . 1 . 1 39 39 LEU HB2 H 1 2.006 0.000 . . . . . . A 57 LEU HB2 . 34730 1 409 . 1 . 1 39 39 LEU HB3 H 1 1.467 0.000 . . . . . . A 57 LEU HB3 . 34730 1 410 . 1 . 1 39 39 LEU HG H 1 1.571 0.000 . . . . . . A 57 LEU HG . 34730 1 411 . 1 . 1 39 39 LEU HD11 H 1 0.841 0.000 . . . . . . A 57 LEU HD11 . 34730 1 412 . 1 . 1 39 39 LEU HD12 H 1 0.841 0.000 . . . . . . A 57 LEU HD12 . 34730 1 413 . 1 . 1 39 39 LEU HD13 H 1 0.841 0.000 . . . . . . A 57 LEU HD13 . 34730 1 414 . 1 . 1 39 39 LEU HD21 H 1 0.778 0.000 . . . . . . A 57 LEU HD21 . 34730 1 415 . 1 . 1 39 39 LEU HD22 H 1 0.778 0.000 . . . . . . A 57 LEU HD22 . 34730 1 416 . 1 . 1 39 39 LEU HD23 H 1 0.778 0.000 . . . . . . A 57 LEU HD23 . 34730 1 417 . 1 . 1 39 39 LEU C C 13 173.520 0.000 . . . . . . A 57 LEU C . 34730 1 418 . 1 . 1 39 39 LEU CA C 13 52.600 0.000 . . . . . . A 57 LEU CA . 34730 1 419 . 1 . 1 39 39 LEU CB C 13 44.800 0.000 . . . . . . A 57 LEU CB . 34730 1 420 . 1 . 1 39 39 LEU N N 15 126.660 0.000 . . . . . . A 57 LEU N . 34730 1 421 . 1 . 1 40 40 PRO HA H 1 5.359 0.000 . . . . . . A 58 PRO HA . 34730 1 422 . 1 . 1 40 40 PRO HB2 H 1 2.113 0.000 . . . . . . A 58 PRO HB2 . 34730 1 423 . 1 . 1 40 40 PRO HB3 H 1 1.874 0.000 . . . . . . A 58 PRO HB3 . 34730 1 424 . 1 . 1 40 40 PRO HG2 H 1 2.253 0.000 . . . . . . A 58 PRO HG2 . 34730 1 425 . 1 . 1 40 40 PRO HG3 H 1 2.000 0.000 . . . . . . A 58 PRO HG3 . 34730 1 426 . 1 . 1 40 40 PRO HD2 H 1 4.048 0.000 . . . . . . A 58 PRO HD2 . 34730 1 427 . 1 . 1 40 40 PRO HD3 H 1 3.796 0.000 . . . . . . A 58 PRO HD3 . 34730 1 428 . 1 . 1 40 40 PRO C C 13 176.180 0.000 . . . . . . A 58 PRO C . 34730 1 429 . 1 . 1 40 40 PRO CA C 13 60.980 0.000 . . . . . . A 58 PRO CA . 34730 1 430 . 1 . 1 40 40 PRO CB C 13 31.090 0.000 . . . . . . A 58 PRO CB . 34730 1 431 . 1 . 1 41 41 ILE H H 1 8.863 0.000 . . . . . . A 59 ILE H . 34730 1 432 . 1 . 1 41 41 ILE HA H 1 4.412 0.000 . . . . . . A 59 ILE HA . 34730 1 433 . 1 . 1 41 41 ILE HB H 1 1.393 0.000 . . . . . . A 59 ILE HB . 34730 1 434 . 1 . 1 41 41 ILE HG12 H 1 1.015 0.000 . . . . . . A 59 ILE HG12 . 34730 1 435 . 1 . 1 41 41 ILE HG13 H 1 0.984 0.000 . . . . . . A 59 ILE HG13 . 34730 1 436 . 1 . 1 41 41 ILE HG21 H 1 0.427 0.000 . . . . . . A 59 ILE HG21 . 34730 1 437 . 1 . 1 41 41 ILE HG22 H 1 0.427 0.000 . . . . . . A 59 ILE HG22 . 34730 1 438 . 1 . 1 41 41 ILE HG23 H 1 0.427 0.000 . . . . . . A 59 ILE HG23 . 34730 1 439 . 1 . 1 41 41 ILE HD11 H 1 0.218 0.000 . . . . . . A 59 ILE HD11 . 34730 1 440 . 1 . 1 41 41 ILE HD12 H 1 0.218 0.000 . . . . . . A 59 ILE HD12 . 34730 1 441 . 1 . 1 41 41 ILE HD13 H 1 0.218 0.000 . . . . . . A 59 ILE HD13 . 34730 1 442 . 1 . 1 41 41 ILE C C 13 172.300 0.000 . . . . . . A 59 ILE C . 34730 1 443 . 1 . 1 41 41 ILE CA C 13 58.940 0.000 . . . . . . A 59 ILE CA . 34730 1 444 . 1 . 1 41 41 ILE CB C 13 41.590 0.000 . . . . . . A 59 ILE CB . 34730 1 445 . 1 . 1 41 41 ILE N N 15 122.140 0.000 . . . . . . A 59 ILE N . 34730 1 446 . 1 . 1 42 42 GLU H H 1 8.163 0.000 . . . . . . A 60 GLU H . 34730 1 447 . 1 . 1 42 42 GLU HA H 1 4.804 0.000 . . . . . . A 60 GLU HA . 34730 1 448 . 1 . 1 42 42 GLU HB2 H 1 1.834 0.000 . . . . . . A 60 GLU HB2 . 34730 1 449 . 1 . 1 42 42 GLU HB3 H 1 1.717 0.000 . . . . . . A 60 GLU HB3 . 34730 1 450 . 1 . 1 42 42 GLU HG2 H 1 2.040 0.000 . . . . . . A 60 GLU HG2 . 34730 1 451 . 1 . 1 42 42 GLU HG3 H 1 2.005 0.000 . . . . . . A 60 GLU HG3 . 34730 1 452 . 1 . 1 42 42 GLU C C 13 174.940 0.000 . . . . . . A 60 GLU C . 34730 1 453 . 1 . 1 42 42 GLU CA C 13 54.770 0.000 . . . . . . A 60 GLU CA . 34730 1 454 . 1 . 1 42 42 GLU CB C 13 30.380 0.000 . . . . . . A 60 GLU CB . 34730 1 455 . 1 . 1 42 42 GLU N N 15 127.780 0.000 . . . . . . A 60 GLU N . 34730 1 456 . 1 . 1 43 43 LEU H H 1 8.384 0.000 . . . . . . A 61 LEU H . 34730 1 457 . 1 . 1 43 43 LEU HA H 1 4.581 0.000 . . . . . . A 61 LEU HA . 34730 1 458 . 1 . 1 43 43 LEU HB2 H 1 1.269 0.000 . . . . . . A 61 LEU HB2 . 34730 1 459 . 1 . 1 43 43 LEU HB3 H 1 1.051 0.000 . . . . . . A 61 LEU HB3 . 34730 1 460 . 1 . 1 43 43 LEU HG H 1 0.968 0.000 . . . . . . A 61 LEU HG . 34730 1 461 . 1 . 1 43 43 LEU HD11 H 1 -0.310 0.000 . . . . . . A 61 LEU HD11 . 34730 1 462 . 1 . 1 43 43 LEU HD12 H 1 -0.310 0.000 . . . . . . A 61 LEU HD12 . 34730 1 463 . 1 . 1 43 43 LEU HD13 H 1 -0.310 0.000 . . . . . . A 61 LEU HD13 . 34730 1 464 . 1 . 1 43 43 LEU HD21 H 1 0.227 0.000 . . . . . . A 61 LEU HD21 . 34730 1 465 . 1 . 1 43 43 LEU HD22 H 1 0.227 0.000 . . . . . . A 61 LEU HD22 . 34730 1 466 . 1 . 1 43 43 LEU HD23 H 1 0.227 0.000 . . . . . . A 61 LEU HD23 . 34730 1 467 . 1 . 1 43 43 LEU C C 13 176.700 0.000 . . . . . . A 61 LEU C . 34730 1 468 . 1 . 1 43 43 LEU CA C 13 53.120 0.000 . . . . . . A 61 LEU CA . 34730 1 469 . 1 . 1 43 43 LEU CB C 13 44.030 0.000 . . . . . . A 61 LEU CB . 34730 1 470 . 1 . 1 43 43 LEU N N 15 124.910 0.000 . . . . . . A 61 LEU N . 34730 1 471 . 1 . 1 44 44 ASP H H 1 9.474 0.000 . . . . . . A 62 ASP H . 34730 1 472 . 1 . 1 44 44 ASP HA H 1 4.300 0.000 . . . . . . A 62 ASP HA . 34730 1 473 . 1 . 1 44 44 ASP HB2 H 1 2.942 0.000 . . . . . . A 62 ASP HB2 . 34730 1 474 . 1 . 1 44 44 ASP HB3 H 1 2.761 0.000 . . . . . . A 62 ASP HB3 . 34730 1 475 . 1 . 1 44 44 ASP C C 13 175.780 0.000 . . . . . . A 62 ASP C . 34730 1 476 . 1 . 1 44 44 ASP CA C 13 55.610 0.000 . . . . . . A 62 ASP CA . 34730 1 477 . 1 . 1 44 44 ASP CB C 13 39.890 0.000 . . . . . . A 62 ASP CB . 34730 1 478 . 1 . 1 44 44 ASP N N 15 125.050 0.000 . . . . . . A 62 ASP N . 34730 1 479 . 1 . 1 45 45 GLY H H 1 8.624 0.000 . . . . . . A 63 GLY H . 34730 1 480 . 1 . 1 45 45 GLY HA2 H 1 3.633 0.000 . . . . . . A 63 GLY HA2 . 34730 1 481 . 1 . 1 45 45 GLY HA3 H 1 4.134 0.000 . . . . . . A 63 GLY HA3 . 34730 1 482 . 1 . 1 45 45 GLY C C 13 173.880 0.000 . . . . . . A 63 GLY C . 34730 1 483 . 1 . 1 45 45 GLY CA C 13 45.400 0.000 . . . . . . A 63 GLY CA . 34730 1 484 . 1 . 1 45 45 GLY N N 15 102.790 0.000 . . . . . . A 63 GLY N . 34730 1 485 . 1 . 1 46 46 VAL H H 1 7.656 0.000 . . . . . . A 64 VAL H . 34730 1 486 . 1 . 1 46 46 VAL HA H 1 4.141 0.000 . . . . . . A 64 VAL HA . 34730 1 487 . 1 . 1 46 46 VAL HB H 1 2.021 0.000 . . . . . . A 64 VAL HB . 34730 1 488 . 1 . 1 46 46 VAL HG11 H 1 0.615 0.000 . . . . . . A 64 VAL HG11 . 34730 1 489 . 1 . 1 46 46 VAL HG12 H 1 0.615 0.000 . . . . . . A 64 VAL HG12 . 34730 1 490 . 1 . 1 46 46 VAL HG13 H 1 0.615 0.000 . . . . . . A 64 VAL HG13 . 34730 1 491 . 1 . 1 46 46 VAL HG21 H 1 0.900 0.000 . . . . . . A 64 VAL HG21 . 34730 1 492 . 1 . 1 46 46 VAL HG22 H 1 0.900 0.000 . . . . . . A 64 VAL HG22 . 34730 1 493 . 1 . 1 46 46 VAL HG23 H 1 0.900 0.000 . . . . . . A 64 VAL HG23 . 34730 1 494 . 1 . 1 46 46 VAL C C 13 174.920 0.000 . . . . . . A 64 VAL C . 34730 1 495 . 1 . 1 46 46 VAL CA C 13 61.290 0.000 . . . . . . A 64 VAL CA . 34730 1 496 . 1 . 1 46 46 VAL CB C 13 34.120 0.000 . . . . . . A 64 VAL CB . 34730 1 497 . 1 . 1 46 46 VAL N N 15 121.390 0.000 . . . . . . A 64 VAL N . 34730 1 498 . 1 . 1 47 47 ARG H H 1 8.584 0.000 . . . . . . A 65 ARG H . 34730 1 499 . 1 . 1 47 47 ARG HA H 1 4.363 0.000 . . . . . . A 65 ARG HA . 34730 1 500 . 1 . 1 47 47 ARG HB2 H 1 1.721 0.000 . . . . . . A 65 ARG HB2 . 34730 1 501 . 1 . 1 47 47 ARG HB3 H 1 1.642 0.000 . . . . . . A 65 ARG HB3 . 34730 1 502 . 1 . 1 47 47 ARG HG2 H 1 1.484 0.000 . . . . . . A 65 ARG HG2 . 34730 1 503 . 1 . 1 47 47 ARG HG3 H 1 1.393 0.000 . . . . . . A 65 ARG HG3 . 34730 1 504 . 1 . 1 47 47 ARG HD2 H 1 3.097 0.000 . . . . . . A 65 ARG HD2 . 34730 1 505 . 1 . 1 47 47 ARG HD3 H 1 3.075 0.000 . . . . . . A 65 ARG HD3 . 34730 1 506 . 1 . 1 47 47 ARG HE H 1 7.149 0.000 . . . . . . A 65 ARG HE . 34730 1 507 . 1 . 1 47 47 ARG C C 13 175.460 0.000 . . . . . . A 65 ARG C . 34730 1 508 . 1 . 1 47 47 ARG CA C 13 56.690 0.000 . . . . . . A 65 ARG CA . 34730 1 509 . 1 . 1 47 47 ARG CB C 13 30.260 0.000 . . . . . . A 65 ARG CB . 34730 1 510 . 1 . 1 47 47 ARG N N 15 127.660 0.000 . . . . . . A 65 ARG N . 34730 1 511 . 1 . 1 47 47 ARG NE N 15 84.530 0.000 . . . . . . A 65 ARG NE . 34730 1 512 . 1 . 1 48 48 HIS H H 1 8.917 0.000 . . . . . . A 66 HIS H . 34730 1 513 . 1 . 1 48 48 HIS HA H 1 4.832 0.000 . . . . . . A 66 HIS HA . 34730 1 514 . 1 . 1 48 48 HIS HB2 H 1 3.156 0.000 . . . . . . A 66 HIS HB2 . 34730 1 515 . 1 . 1 48 48 HIS HB3 H 1 2.777 0.000 . . . . . . A 66 HIS HB3 . 34730 1 516 . 1 . 1 48 48 HIS HD2 H 1 6.967 0.000 . . . . . . A 66 HIS HD2 . 34730 1 517 . 1 . 1 48 48 HIS HE1 H 1 8.783 0.000 . . . . . . A 66 HIS HE1 . 34730 1 518 . 1 . 1 48 48 HIS C C 13 173.890 0.000 . . . . . . A 66 HIS C . 34730 1 519 . 1 . 1 48 48 HIS CA C 13 54.490 0.000 . . . . . . A 66 HIS CA . 34730 1 520 . 1 . 1 48 48 HIS CB C 13 31.780 0.000 . . . . . . A 66 HIS CB . 34730 1 521 . 1 . 1 48 48 HIS N N 15 122.490 0.000 . . . . . . A 66 HIS N . 34730 1 522 . 1 . 1 49 49 THR H H 1 8.667 0.000 . . . . . . A 67 THR H . 34730 1 523 . 1 . 1 49 49 THR HA H 1 4.843 0.000 . . . . . . A 67 THR HA . 34730 1 524 . 1 . 1 49 49 THR HB H 1 3.940 0.000 . . . . . . A 67 THR HB . 34730 1 525 . 1 . 1 49 49 THR HG21 H 1 0.958 0.000 . . . . . . A 67 THR HG21 . 34730 1 526 . 1 . 1 49 49 THR HG22 H 1 0.958 0.000 . . . . . . A 67 THR HG22 . 34730 1 527 . 1 . 1 49 49 THR HG23 H 1 0.958 0.000 . . . . . . A 67 THR HG23 . 34730 1 528 . 1 . 1 49 49 THR C C 13 173.510 0.000 . . . . . . A 67 THR C . 34730 1 529 . 1 . 1 49 49 THR CA C 13 62.350 0.000 . . . . . . A 67 THR CA . 34730 1 530 . 1 . 1 49 49 THR CB C 13 69.460 0.000 . . . . . . A 67 THR CB . 34730 1 531 . 1 . 1 49 49 THR N N 15 117.810 0.000 . . . . . . A 67 THR N . 34730 1 532 . 1 . 1 50 50 ILE H H 1 8.700 0.000 . . . . . . A 68 ILE H . 34730 1 533 . 1 . 1 50 50 ILE HA H 1 4.455 0.000 . . . . . . A 68 ILE HA . 34730 1 534 . 1 . 1 50 50 ILE HB H 1 1.848 0.000 . . . . . . A 68 ILE HB . 34730 1 535 . 1 . 1 50 50 ILE HG12 H 1 1.478 0.000 . . . . . . A 68 ILE HG12 . 34730 1 536 . 1 . 1 50 50 ILE HG13 H 1 1.174 0.000 . . . . . . A 68 ILE HG13 . 34730 1 537 . 1 . 1 50 50 ILE HG21 H 1 0.945 0.000 . . . . . . A 68 ILE HG21 . 34730 1 538 . 1 . 1 50 50 ILE HG22 H 1 0.945 0.000 . . . . . . A 68 ILE HG22 . 34730 1 539 . 1 . 1 50 50 ILE HG23 H 1 0.945 0.000 . . . . . . A 68 ILE HG23 . 34730 1 540 . 1 . 1 50 50 ILE HD11 H 1 0.797 0.000 . . . . . . A 68 ILE HD11 . 34730 1 541 . 1 . 1 50 50 ILE HD12 H 1 0.797 0.000 . . . . . . A 68 ILE HD12 . 34730 1 542 . 1 . 1 50 50 ILE HD13 H 1 0.797 0.000 . . . . . . A 68 ILE HD13 . 34730 1 543 . 1 . 1 50 50 ILE C C 13 174.430 0.000 . . . . . . A 68 ILE C . 34730 1 544 . 1 . 1 50 50 ILE CA C 13 59.610 0.000 . . . . . . A 68 ILE CA . 34730 1 545 . 1 . 1 50 50 ILE CB C 13 40.880 0.000 . . . . . . A 68 ILE CB . 34730 1 546 . 1 . 1 50 50 ILE N N 15 128.430 0.000 . . . . . . A 68 ILE N . 34730 1 547 . 1 . 1 51 51 GLN H H 1 8.917 0.000 . . . . . . A 69 GLN H . 34730 1 548 . 1 . 1 51 51 GLN HA H 1 4.321 0.000 . . . . . . A 69 GLN HA . 34730 1 549 . 1 . 1 51 51 GLN HB2 H 1 2.012 0.000 . . . . . . A 69 GLN HB2 . 34730 1 550 . 1 . 1 51 51 GLN HB3 H 1 1.936 0.000 . . . . . . A 69 GLN HB3 . 34730 1 551 . 1 . 1 51 51 GLN HG2 H 1 2.421 0.000 . . . . . . A 69 GLN HG2 . 34730 1 552 . 1 . 1 51 51 GLN HG3 H 1 2.311 0.000 . . . . . . A 69 GLN HG3 . 34730 1 553 . 1 . 1 51 51 GLN HE21 H 1 7.764 0.000 . . . . . . A 69 GLN HE21 . 34730 1 554 . 1 . 1 51 51 GLN HE22 H 1 6.577 0.000 . . . . . . A 69 GLN HE22 . 34730 1 555 . 1 . 1 51 51 GLN C C 13 174.910 0.000 . . . . . . A 69 GLN C . 34730 1 556 . 1 . 1 51 51 GLN CA C 13 56.420 0.000 . . . . . . A 69 GLN CA . 34730 1 557 . 1 . 1 51 51 GLN CB C 13 30.230 0.000 . . . . . . A 69 GLN CB . 34730 1 558 . 1 . 1 51 51 GLN N N 15 127.330 0.000 . . . . . . A 69 GLN N . 34730 1 559 . 1 . 1 51 51 GLN NE2 N 15 113.500 0.000 . . . . . . A 69 GLN NE2 . 34730 1 560 . 1 . 1 52 52 LEU H H 1 8.346 0.000 . . . . . . A 70 LEU H . 34730 1 561 . 1 . 1 52 52 LEU HA H 1 4.623 0.000 . . . . . . A 70 LEU HA . 34730 1 562 . 1 . 1 52 52 LEU HB2 H 1 1.679 0.000 . . . . . . A 70 LEU HB2 . 34730 1 563 . 1 . 1 52 52 LEU HB3 H 1 1.277 0.000 . . . . . . A 70 LEU HB3 . 34730 1 564 . 1 . 1 52 52 LEU HG H 1 1.421 0.000 . . . . . . A 70 LEU HG . 34730 1 565 . 1 . 1 52 52 LEU HD11 H 1 0.839 0.000 . . . . . . A 70 LEU HD11 . 34730 1 566 . 1 . 1 52 52 LEU HD12 H 1 0.839 0.000 . . . . . . A 70 LEU HD12 . 34730 1 567 . 1 . 1 52 52 LEU HD13 H 1 0.839 0.000 . . . . . . A 70 LEU HD13 . 34730 1 568 . 1 . 1 52 52 LEU HD21 H 1 0.638 0.000 . . . . . . A 70 LEU HD21 . 34730 1 569 . 1 . 1 52 52 LEU HD22 H 1 0.638 0.000 . . . . . . A 70 LEU HD22 . 34730 1 570 . 1 . 1 52 52 LEU HD23 H 1 0.638 0.000 . . . . . . A 70 LEU HD23 . 34730 1 571 . 1 . 1 52 52 LEU C C 13 177.610 0.000 . . . . . . A 70 LEU C . 34730 1 572 . 1 . 1 52 52 LEU CA C 13 54.460 0.000 . . . . . . A 70 LEU CA . 34730 1 573 . 1 . 1 52 52 LEU CB C 13 44.320 0.000 . . . . . . A 70 LEU CB . 34730 1 574 . 1 . 1 52 52 LEU N N 15 124.630 0.000 . . . . . . A 70 LEU N . 34730 1 575 . 1 . 1 53 53 SER H H 1 8.139 0.000 . . . . . . A 71 SER H . 34730 1 576 . 1 . 1 53 53 SER HA H 1 4.571 0.000 . . . . . . A 71 SER HA . 34730 1 577 . 1 . 1 53 53 SER HB2 H 1 3.824 0.000 . . . . . . A 71 SER HB2 . 34730 1 578 . 1 . 1 53 53 SER HB3 H 1 3.672 0.000 . . . . . . A 71 SER HB3 . 34730 1 579 . 1 . 1 53 53 SER C C 13 176.270 0.000 . . . . . . A 71 SER C . 34730 1 580 . 1 . 1 53 53 SER CA C 13 56.450 0.000 . . . . . . A 71 SER CA . 34730 1 581 . 1 . 1 53 53 SER CB C 13 62.790 0.000 . . . . . . A 71 SER CB . 34730 1 582 . 1 . 1 53 53 SER N N 15 116.580 0.000 . . . . . . A 71 SER N . 34730 1 583 . 1 . 1 54 54 GLY H H 1 9.079 0.000 . . . . . . A 72 GLY H . 34730 1 584 . 1 . 1 54 54 GLY HA2 H 1 3.979 0.000 . . . . . . A 72 GLY HA2 . 34730 1 585 . 1 . 1 54 54 GLY HA3 H 1 2.932 0.000 . . . . . . A 72 GLY HA3 . 34730 1 586 . 1 . 1 54 54 GLY C C 13 174.860 0.000 . . . . . . A 72 GLY C . 34730 1 587 . 1 . 1 54 54 GLY CA C 13 46.960 0.000 . . . . . . A 72 GLY CA . 34730 1 588 . 1 . 1 54 54 GLY N N 15 120.360 0.000 . . . . . . A 72 GLY N . 34730 1 589 . 1 . 1 55 55 CYS H H 1 9.008 0.000 . . . . . . A 73 CYS H . 34730 1 590 . 1 . 1 55 55 CYS HA H 1 5.284 0.000 . . . . . . A 73 CYS HA . 34730 1 591 . 1 . 1 55 55 CYS HB2 H 1 3.533 0.000 . . . . . . A 73 CYS HB2 . 34730 1 592 . 1 . 1 55 55 CYS HB3 H 1 2.759 0.000 . . . . . . A 73 CYS HB3 . 34730 1 593 . 1 . 1 55 55 CYS C C 13 173.340 0.000 . . . . . . A 73 CYS C . 34730 1 594 . 1 . 1 55 55 CYS CA C 13 51.590 0.000 . . . . . . A 73 CYS CA . 34730 1 595 . 1 . 1 55 55 CYS CB C 13 35.520 0.000 . . . . . . A 73 CYS CB . 34730 1 596 . 1 . 1 55 55 CYS N N 15 124.830 0.000 . . . . . . A 73 CYS N . 34730 1 597 . 1 . 1 56 56 THR H H 1 7.996 0.000 . . . . . . A 74 THR H . 34730 1 598 . 1 . 1 56 56 THR HA H 1 3.480 0.000 . . . . . . A 74 THR HA . 34730 1 599 . 1 . 1 56 56 THR HB H 1 4.214 0.000 . . . . . . A 74 THR HB . 34730 1 600 . 1 . 1 56 56 THR HG21 H 1 0.939 0.000 . . . . . . A 74 THR HG21 . 34730 1 601 . 1 . 1 56 56 THR HG22 H 1 0.939 0.000 . . . . . . A 74 THR HG22 . 34730 1 602 . 1 . 1 56 56 THR HG23 H 1 0.939 0.000 . . . . . . A 74 THR HG23 . 34730 1 603 . 1 . 1 56 56 THR C C 13 173.360 0.000 . . . . . . A 74 THR C . 34730 1 604 . 1 . 1 56 56 THR CA C 13 60.780 0.000 . . . . . . A 74 THR CA . 34730 1 605 . 1 . 1 56 56 THR CB C 13 69.420 0.000 . . . . . . A 74 THR CB . 34730 1 606 . 1 . 1 56 56 THR N N 15 116.170 0.000 . . . . . . A 74 THR N . 34730 1 607 . 1 . 1 57 57 PRO HA H 1 4.651 0.000 . . . . . . A 75 PRO HA . 34730 1 608 . 1 . 1 57 57 PRO HB2 H 1 1.654 0.000 . . . . . . A 75 PRO HB2 . 34730 1 609 . 1 . 1 57 57 PRO HB3 H 1 1.853 0.000 . . . . . . A 75 PRO HB3 . 34730 1 610 . 1 . 1 57 57 PRO HG2 H 1 1.838 0.000 . . . . . . A 75 PRO HG2 . 34730 1 611 . 1 . 1 57 57 PRO HG3 H 1 1.515 0.000 . . . . . . A 75 PRO HG3 . 34730 1 612 . 1 . 1 57 57 PRO HD2 H 1 4.058 0.000 . . . . . . A 75 PRO HD2 . 34730 1 613 . 1 . 1 57 57 PRO HD3 H 1 3.352 0.000 . . . . . . A 75 PRO HD3 . 34730 1 614 . 1 . 1 57 57 PRO C C 13 175.490 0.000 . . . . . . A 75 PRO C . 34730 1 615 . 1 . 1 57 57 PRO CA C 13 61.910 0.000 . . . . . . A 75 PRO CA . 34730 1 616 . 1 . 1 57 57 PRO CB C 13 32.100 0.000 . . . . . . A 75 PRO CB . 34730 1 617 . 1 . 1 58 58 GLU H H 1 8.263 0.000 . . . . . . A 76 GLU H . 34730 1 618 . 1 . 1 58 58 GLU HA H 1 4.145 0.000 . . . . . . A 76 GLU HA . 34730 1 619 . 1 . 1 58 58 GLU HB2 H 1 1.989 0.000 . . . . . . A 76 GLU HB2 . 34730 1 620 . 1 . 1 58 58 GLU HB3 H 1 1.952 0.000 . . . . . . A 76 GLU HB3 . 34730 1 621 . 1 . 1 58 58 GLU HG2 H 1 2.338 0.000 . . . . . . A 76 GLU HG2 . 34730 1 622 . 1 . 1 58 58 GLU HG3 H 1 2.199 0.000 . . . . . . A 76 GLU HG3 . 34730 1 623 . 1 . 1 58 58 GLU C C 13 177.720 0.000 . . . . . . A 76 GLU C . 34730 1 624 . 1 . 1 58 58 GLU CA C 13 56.490 0.000 . . . . . . A 76 GLU CA . 34730 1 625 . 1 . 1 58 58 GLU CB C 13 28.590 0.000 . . . . . . A 76 GLU CB . 34730 1 626 . 1 . 1 58 58 GLU N N 15 124.840 0.000 . . . . . . A 76 GLU N . 34730 1 627 . 1 . 1 59 59 GLN H H 1 8.596 0.000 . . . . . . A 77 GLN H . 34730 1 628 . 1 . 1 59 59 GLN HA H 1 3.872 0.000 . . . . . . A 77 GLN HA . 34730 1 629 . 1 . 1 59 59 GLN HB2 H 1 2.213 0.000 . . . . . . A 77 GLN HB2 . 34730 1 630 . 1 . 1 59 59 GLN HB3 H 1 2.089 0.000 . . . . . . A 77 GLN HB3 . 34730 1 631 . 1 . 1 59 59 GLN HG2 H 1 2.483 0.000 . . . . . . A 77 GLN HG2 . 34730 1 632 . 1 . 1 59 59 GLN HG3 H 1 2.450 0.000 . . . . . . A 77 GLN HG3 . 34730 1 633 . 1 . 1 59 59 GLN HE21 H 1 7.600 0.000 . . . . . . A 77 GLN HE21 . 34730 1 634 . 1 . 1 59 59 GLN HE22 H 1 6.829 0.000 . . . . . . A 77 GLN HE22 . 34730 1 635 . 1 . 1 59 59 GLN C C 13 178.470 0.000 . . . . . . A 77 GLN C . 34730 1 636 . 1 . 1 59 59 GLN CA C 13 58.990 0.000 . . . . . . A 77 GLN CA . 34730 1 637 . 1 . 1 59 59 GLN CB C 13 28.500 0.000 . . . . . . A 77 GLN CB . 34730 1 638 . 1 . 1 59 59 GLN N N 15 128.900 0.000 . . . . . . A 77 GLN N . 34730 1 639 . 1 . 1 59 59 GLN NE2 N 15 112.110 0.000 . . . . . . A 77 GLN NE2 . 34730 1 640 . 1 . 1 60 60 SER H H 1 8.647 0.000 . . . . . . A 78 SER H . 34730 1 641 . 1 . 1 60 60 SER HA H 1 4.290 0.000 . . . . . . A 78 SER HA . 34730 1 642 . 1 . 1 60 60 SER HB2 H 1 4.077 0.000 . . . . . . A 78 SER HB2 . 34730 1 643 . 1 . 1 60 60 SER HB3 H 1 3.978 0.000 . . . . . . A 78 SER HB3 . 34730 1 644 . 1 . 1 60 60 SER C C 13 175.370 0.000 . . . . . . A 78 SER C . 34730 1 645 . 1 . 1 60 60 SER CA C 13 60.480 0.000 . . . . . . A 78 SER CA . 34730 1 646 . 1 . 1 60 60 SER CB C 13 62.860 0.000 . . . . . . A 78 SER CB . 34730 1 647 . 1 . 1 60 60 SER N N 15 112.820 0.000 . . . . . . A 78 SER N . 34730 1 648 . 1 . 1 61 61 GLN H H 1 7.722 0.000 . . . . . . A 79 GLN H . 34730 1 649 . 1 . 1 61 61 GLN HA H 1 4.434 0.000 . . . . . . A 79 GLN HA . 34730 1 650 . 1 . 1 61 61 GLN HB2 H 1 1.985 0.000 . . . . . . A 79 GLN HB2 . 34730 1 651 . 1 . 1 61 61 GLN HB3 H 1 2.047 0.000 . . . . . . A 79 GLN HB3 . 34730 1 652 . 1 . 1 61 61 GLN HG2 H 1 2.357 0.000 . . . . . . A 79 GLN HG2 . 34730 1 653 . 1 . 1 61 61 GLN HG3 H 1 2.425 0.000 . . . . . . A 79 GLN HG3 . 34730 1 654 . 1 . 1 61 61 GLN HE21 H 1 7.246 0.000 . . . . . . A 79 GLN HE21 . 34730 1 655 . 1 . 1 61 61 GLN HE22 H 1 6.839 0.000 . . . . . . A 79 GLN HE22 . 34730 1 656 . 1 . 1 61 61 GLN C C 13 175.570 0.000 . . . . . . A 79 GLN C . 34730 1 657 . 1 . 1 61 61 GLN CA C 13 55.150 0.000 . . . . . . A 79 GLN CA . 34730 1 658 . 1 . 1 61 61 GLN CB C 13 29.720 0.000 . . . . . . A 79 GLN CB . 34730 1 659 . 1 . 1 61 61 GLN N N 15 119.390 0.000 . . . . . . A 79 GLN N . 34730 1 660 . 1 . 1 61 61 GLN NE2 N 15 109.270 0.000 . . . . . . A 79 GLN NE2 . 34730 1 661 . 1 . 1 62 62 ILE H H 1 7.259 0.000 . . . . . . A 80 ILE H . 34730 1 662 . 1 . 1 62 62 ILE HA H 1 3.983 0.000 . . . . . . A 80 ILE HA . 34730 1 663 . 1 . 1 62 62 ILE HB H 1 2.067 0.000 . . . . . . A 80 ILE HB . 34730 1 664 . 1 . 1 62 62 ILE HG12 H 1 1.669 0.000 . . . . . . A 80 ILE HG12 . 34730 1 665 . 1 . 1 62 62 ILE HG13 H 1 1.319 0.000 . . . . . . A 80 ILE HG13 . 34730 1 666 . 1 . 1 62 62 ILE HG21 H 1 0.970 0.000 . . . . . . A 80 ILE HG21 . 34730 1 667 . 1 . 1 62 62 ILE HG22 H 1 0.970 0.000 . . . . . . A 80 ILE HG22 . 34730 1 668 . 1 . 1 62 62 ILE HG23 H 1 0.970 0.000 . . . . . . A 80 ILE HG23 . 34730 1 669 . 1 . 1 62 62 ILE HD11 H 1 0.759 0.000 . . . . . . A 80 ILE HD11 . 34730 1 670 . 1 . 1 62 62 ILE HD12 H 1 0.759 0.000 . . . . . . A 80 ILE HD12 . 34730 1 671 . 1 . 1 62 62 ILE HD13 H 1 0.759 0.000 . . . . . . A 80 ILE HD13 . 34730 1 672 . 1 . 1 62 62 ILE C C 13 174.660 0.000 . . . . . . A 80 ILE C . 34730 1 673 . 1 . 1 62 62 ILE CA C 13 58.550 0.000 . . . . . . A 80 ILE CA . 34730 1 674 . 1 . 1 62 62 ILE CB C 13 37.310 0.000 . . . . . . A 80 ILE CB . 34730 1 675 . 1 . 1 62 62 ILE N N 15 121.530 0.000 . . . . . . A 80 ILE N . 34730 1 676 . 1 . 1 63 63 PRO HA H 1 4.296 0.000 . . . . . . A 81 PRO HA . 34730 1 677 . 1 . 1 63 63 PRO HB2 H 1 1.956 0.000 . . . . . . A 81 PRO HB2 . 34730 1 678 . 1 . 1 63 63 PRO HB3 H 1 1.762 0.000 . . . . . . A 81 PRO HB3 . 34730 1 679 . 1 . 1 63 63 PRO HG2 H 1 1.310 0.000 . . . . . . A 81 PRO HG2 . 34730 1 680 . 1 . 1 63 63 PRO HG3 H 1 1.038 0.000 . . . . . . A 81 PRO HG3 . 34730 1 681 . 1 . 1 63 63 PRO HD2 H 1 3.724 0.000 . . . . . . A 81 PRO HD2 . 34730 1 682 . 1 . 1 63 63 PRO HD3 H 1 3.076 0.000 . . . . . . A 81 PRO HD3 . 34730 1 683 . 1 . 1 63 63 PRO C C 13 175.650 0.000 . . . . . . A 81 PRO C . 34730 1 684 . 1 . 1 63 63 PRO CA C 13 62.670 0.000 . . . . . . A 81 PRO CA . 34730 1 685 . 1 . 1 63 63 PRO CB C 13 31.920 0.000 . . . . . . A 81 PRO CB . 34730 1 686 . 1 . 1 64 64 GLN H H 1 8.516 0.000 . . . . . . A 82 GLN H . 34730 1 687 . 1 . 1 64 64 GLN HA H 1 4.175 0.000 . . . . . . A 82 GLN HA . 34730 1 688 . 1 . 1 64 64 GLN HB2 H 1 2.123 0.000 . . . . . . A 82 GLN HB2 . 34730 1 689 . 1 . 1 64 64 GLN HB3 H 1 2.101 0.000 . . . . . . A 82 GLN HB3 . 34730 1 690 . 1 . 1 64 64 GLN HG2 H 1 2.523 0.000 . . . . . . A 82 GLN HG2 . 34730 1 691 . 1 . 1 64 64 GLN HG3 H 1 2.491 0.000 . . . . . . A 82 GLN HG3 . 34730 1 692 . 1 . 1 64 64 GLN HE21 H 1 7.597 0.000 . . . . . . A 82 GLN HE21 . 34730 1 693 . 1 . 1 64 64 GLN HE22 H 1 6.893 0.000 . . . . . . A 82 GLN HE22 . 34730 1 694 . 1 . 1 64 64 GLN C C 13 177.290 0.000 . . . . . . A 82 GLN C . 34730 1 695 . 1 . 1 64 64 GLN CA C 13 57.580 0.000 . . . . . . A 82 GLN CA . 34730 1 696 . 1 . 1 64 64 GLN CB C 13 28.740 0.000 . . . . . . A 82 GLN CB . 34730 1 697 . 1 . 1 64 64 GLN N N 15 121.270 0.000 . . . . . . A 82 GLN N . 34730 1 698 . 1 . 1 64 64 GLN NE2 N 15 112.580 0.000 . . . . . . A 82 GLN NE2 . 34730 1 699 . 1 . 1 65 65 GLY H H 1 8.848 0.000 . . . . . . A 83 GLY H . 34730 1 700 . 1 . 1 65 65 GLY HA2 H 1 3.589 0.000 . . . . . . A 83 GLY HA2 . 34730 1 701 . 1 . 1 65 65 GLY HA3 H 1 4.163 0.000 . . . . . . A 83 GLY HA3 . 34730 1 702 . 1 . 1 65 65 GLY C C 13 172.980 0.000 . . . . . . A 83 GLY C . 34730 1 703 . 1 . 1 65 65 GLY CA C 13 45.140 0.000 . . . . . . A 83 GLY CA . 34730 1 704 . 1 . 1 65 65 GLY N N 15 111.120 0.000 . . . . . . A 83 GLY N . 34730 1 705 . 1 . 1 66 66 TYR H H 1 7.712 0.000 . . . . . . A 84 TYR H . 34730 1 706 . 1 . 1 66 66 TYR HA H 1 5.234 0.000 . . . . . . A 84 TYR HA . 34730 1 707 . 1 . 1 66 66 TYR HB2 H 1 2.830 0.000 . . . . . . A 84 TYR HB2 . 34730 1 708 . 1 . 1 66 66 TYR HB3 H 1 2.745 0.000 . . . . . . A 84 TYR HB3 . 34730 1 709 . 1 . 1 66 66 TYR HD1 H 1 6.855 0.000 . . . . . . A 84 TYR HD1 . 34730 1 710 . 1 . 1 66 66 TYR HD2 H 1 6.855 0.000 . . . . . . A 84 TYR HD2 . 34730 1 711 . 1 . 1 66 66 TYR HE1 H 1 6.722 0.000 . . . . . . A 84 TYR HE1 . 34730 1 712 . 1 . 1 66 66 TYR HE2 H 1 6.722 0.000 . . . . . . A 84 TYR HE2 . 34730 1 713 . 1 . 1 66 66 TYR C C 13 175.520 0.000 . . . . . . A 84 TYR C . 34730 1 714 . 1 . 1 66 66 TYR CA C 13 57.430 0.000 . . . . . . A 84 TYR CA . 34730 1 715 . 1 . 1 66 66 TYR CB C 13 41.260 0.000 . . . . . . A 84 TYR CB . 34730 1 716 . 1 . 1 66 66 TYR N N 15 117.600 0.000 . . . . . . A 84 TYR N . 34730 1 717 . 1 . 1 67 67 SER H H 1 9.135 0.000 . . . . . . A 85 SER H . 34730 1 718 . 1 . 1 67 67 SER HA H 1 4.834 0.000 . . . . . . A 85 SER HA . 34730 1 719 . 1 . 1 67 67 SER HB2 H 1 3.909 0.000 . . . . . . A 85 SER HB2 . 34730 1 720 . 1 . 1 67 67 SER HB3 H 1 3.800 0.000 . . . . . . A 85 SER HB3 . 34730 1 721 . 1 . 1 67 67 SER C C 13 173.330 0.000 . . . . . . A 85 SER C . 34730 1 722 . 1 . 1 67 67 SER CA C 13 57.280 0.000 . . . . . . A 85 SER CA . 34730 1 723 . 1 . 1 67 67 SER CB C 13 65.540 0.000 . . . . . . A 85 SER CB . 34730 1 724 . 1 . 1 67 67 SER N N 15 116.110 0.000 . . . . . . A 85 SER N . 34730 1 725 . 1 . 1 68 68 VAL H H 1 8.760 0.000 . . . . . . A 86 VAL H . 34730 1 726 . 1 . 1 68 68 VAL HA H 1 5.291 0.000 . . . . . . A 86 VAL HA . 34730 1 727 . 1 . 1 68 68 VAL HB H 1 1.671 0.000 . . . . . . A 86 VAL HB . 34730 1 728 . 1 . 1 68 68 VAL HG11 H 1 0.431 0.000 . . . . . . A 86 VAL HG11 . 34730 1 729 . 1 . 1 68 68 VAL HG12 H 1 0.431 0.000 . . . . . . A 86 VAL HG12 . 34730 1 730 . 1 . 1 68 68 VAL HG13 H 1 0.431 0.000 . . . . . . A 86 VAL HG13 . 34730 1 731 . 1 . 1 68 68 VAL HG21 H 1 0.525 0.000 . . . . . . A 86 VAL HG21 . 34730 1 732 . 1 . 1 68 68 VAL HG22 H 1 0.525 0.000 . . . . . . A 86 VAL HG22 . 34730 1 733 . 1 . 1 68 68 VAL HG23 H 1 0.525 0.000 . . . . . . A 86 VAL HG23 . 34730 1 734 . 1 . 1 68 68 VAL C C 13 175.050 0.000 . . . . . . A 86 VAL C . 34730 1 735 . 1 . 1 68 68 VAL CA C 13 59.600 0.000 . . . . . . A 86 VAL CA . 34730 1 736 . 1 . 1 68 68 VAL CB C 13 35.140 0.000 . . . . . . A 86 VAL CB . 34730 1 737 . 1 . 1 68 68 VAL N N 15 121.260 0.000 . . . . . . A 86 VAL N . 34730 1 738 . 1 . 1 69 69 GLU H H 1 8.798 0.000 . . . . . . A 87 GLU H . 34730 1 739 . 1 . 1 69 69 GLU HA H 1 4.694 0.000 . . . . . . A 87 GLU HA . 34730 1 740 . 1 . 1 69 69 GLU HB2 H 1 1.909 0.000 . . . . . . A 87 GLU HB2 . 34730 1 741 . 1 . 1 69 69 GLU HB3 H 1 1.785 0.000 . . . . . . A 87 GLU HB3 . 34730 1 742 . 1 . 1 69 69 GLU HG2 H 1 2.181 0.000 . . . . . . A 87 GLU HG2 . 34730 1 743 . 1 . 1 69 69 GLU HG3 H 1 2.107 0.000 . . . . . . A 87 GLU HG3 . 34730 1 744 . 1 . 1 69 69 GLU C C 13 174.490 0.000 . . . . . . A 87 GLU C . 34730 1 745 . 1 . 1 69 69 GLU CA C 13 54.170 0.000 . . . . . . A 87 GLU CA . 34730 1 746 . 1 . 1 69 69 GLU CB C 13 32.970 0.000 . . . . . . A 87 GLU CB . 34730 1 747 . 1 . 1 69 69 GLU N N 15 127.130 0.000 . . . . . . A 87 GLU N . 34730 1 748 . 1 . 1 70 70 HIS H H 1 8.628 0.000 . . . . . . A 88 HIS H . 34730 1 749 . 1 . 1 70 70 HIS HA H 1 5.840 0.000 . . . . . . A 88 HIS HA . 34730 1 750 . 1 . 1 70 70 HIS HB2 H 1 2.814 0.000 . . . . . . A 88 HIS HB2 . 34730 1 751 . 1 . 1 70 70 HIS HB3 H 1 3.488 0.000 . . . . . . A 88 HIS HB3 . 34730 1 752 . 1 . 1 70 70 HIS HD2 H 1 7.021 0.000 . . . . . . A 88 HIS HD2 . 34730 1 753 . 1 . 1 70 70 HIS HE1 H 1 8.731 0.000 . . . . . . A 88 HIS HE1 . 34730 1 754 . 1 . 1 70 70 HIS C C 13 172.130 0.000 . . . . . . A 88 HIS C . 34730 1 755 . 1 . 1 70 70 HIS CA C 13 53.800 0.000 . . . . . . A 88 HIS CA . 34730 1 756 . 1 . 1 70 70 HIS CB C 13 32.970 0.000 . . . . . . A 88 HIS CB . 34730 1 757 . 1 . 1 70 70 HIS N N 15 117.620 0.000 . . . . . . A 88 HIS N . 34730 1 758 . 1 . 1 71 71 MET H H 1 9.139 0.000 . . . . . . A 89 MET H . 34730 1 759 . 1 . 1 71 71 MET HA H 1 4.903 0.000 . . . . . . A 89 MET HA . 34730 1 760 . 1 . 1 71 71 MET HB2 H 1 2.484 0.000 . . . . . . A 89 MET HB2 . 34730 1 761 . 1 . 1 71 71 MET HB3 H 1 2.154 0.000 . . . . . . A 89 MET HB3 . 34730 1 762 . 1 . 1 71 71 MET HG2 H 1 2.769 0.000 . . . . . . A 89 MET HG2 . 34730 1 763 . 1 . 1 71 71 MET HG3 H 1 2.277 0.000 . . . . . . A 89 MET HG3 . 34730 1 764 . 1 . 1 71 71 MET HE1 H 1 1.921 0.000 . . . . . . A 89 MET HE1 . 34730 1 765 . 1 . 1 71 71 MET HE2 H 1 1.921 0.000 . . . . . . A 89 MET HE2 . 34730 1 766 . 1 . 1 71 71 MET HE3 H 1 1.921 0.000 . . . . . . A 89 MET HE3 . 34730 1 767 . 1 . 1 71 71 MET C C 13 174.520 0.000 . . . . . . A 89 MET C . 34730 1 768 . 1 . 1 71 71 MET CA C 13 54.630 0.000 . . . . . . A 89 MET CA . 34730 1 769 . 1 . 1 71 71 MET CB C 13 36.060 0.000 . . . . . . A 89 MET CB . 34730 1 770 . 1 . 1 71 71 MET N N 15 117.350 0.000 . . . . . . A 89 MET N . 34730 1 771 . 1 . 1 72 72 THR H H 1 8.748 0.000 . . . . . . A 90 THR H . 34730 1 772 . 1 . 1 72 72 THR HA H 1 5.106 0.000 . . . . . . A 90 THR HA . 34730 1 773 . 1 . 1 72 72 THR HB H 1 4.869 0.000 . . . . . . A 90 THR HB . 34730 1 774 . 1 . 1 72 72 THR HG21 H 1 1.547 0.000 . . . . . . A 90 THR HG21 . 34730 1 775 . 1 . 1 72 72 THR HG22 H 1 1.547 0.000 . . . . . . A 90 THR HG22 . 34730 1 776 . 1 . 1 72 72 THR HG23 H 1 1.547 0.000 . . . . . . A 90 THR HG23 . 34730 1 777 . 1 . 1 72 72 THR C C 13 175.580 0.000 . . . . . . A 90 THR C . 34730 1 778 . 1 . 1 72 72 THR CA C 13 61.710 0.000 . . . . . . A 90 THR CA . 34730 1 779 . 1 . 1 72 72 THR CB C 13 69.810 0.000 . . . . . . A 90 THR CB . 34730 1 780 . 1 . 1 72 72 THR N N 15 110.480 0.000 . . . . . . A 90 THR N . 34730 1 781 . 1 . 1 73 73 TYR H H 1 7.926 0.000 . . . . . . A 91 TYR H . 34730 1 782 . 1 . 1 73 73 TYR HA H 1 4.851 0.000 . . . . . . A 91 TYR HA . 34730 1 783 . 1 . 1 73 73 TYR HB2 H 1 2.643 0.000 . . . . . . A 91 TYR HB2 . 34730 1 784 . 1 . 1 73 73 TYR HB3 H 1 2.616 0.000 . . . . . . A 91 TYR HB3 . 34730 1 785 . 1 . 1 73 73 TYR HD1 H 1 6.961 0.000 . . . . . . A 91 TYR HD1 . 34730 1 786 . 1 . 1 73 73 TYR HD2 H 1 6.961 0.000 . . . . . . A 91 TYR HD2 . 34730 1 787 . 1 . 1 73 73 TYR HE1 H 1 6.100 0.000 . . . . . . A 91 TYR HE1 . 34730 1 788 . 1 . 1 73 73 TYR HE2 H 1 6.100 0.000 . . . . . . A 91 TYR HE2 . 34730 1 789 . 1 . 1 73 73 TYR C C 13 177.840 0.000 . . . . . . A 91 TYR C . 34730 1 790 . 1 . 1 73 73 TYR CA C 13 60.050 0.000 . . . . . . A 91 TYR CA . 34730 1 791 . 1 . 1 73 73 TYR CB C 13 38.410 0.000 . . . . . . A 91 TYR CB . 34730 1 792 . 1 . 1 73 73 TYR N N 15 124.910 0.000 . . . . . . A 91 TYR N . 34730 1 793 . 1 . 1 74 74 LYS H H 1 8.378 0.000 . . . . . . A 92 LYS H . 34730 1 794 . 1 . 1 74 74 LYS HA H 1 3.766 0.000 . . . . . . A 92 LYS HA . 34730 1 795 . 1 . 1 74 74 LYS HB2 H 1 1.748 0.000 . . . . . . A 92 LYS HB2 . 34730 1 796 . 1 . 1 74 74 LYS HB3 H 1 1.819 0.000 . . . . . . A 92 LYS HB3 . 34730 1 797 . 1 . 1 74 74 LYS HG2 H 1 1.476 0.000 . . . . . . A 92 LYS HG2 . 34730 1 798 . 1 . 1 74 74 LYS HG3 H 1 1.449 0.000 . . . . . . A 92 LYS HG3 . 34730 1 799 . 1 . 1 74 74 LYS HD2 H 1 1.655 0.000 . . . . . . A 92 LYS HD2 . 34730 1 800 . 1 . 1 74 74 LYS HD3 H 1 1.655 0.000 . . . . . . A 92 LYS HD3 . 34730 1 801 . 1 . 1 74 74 LYS HE2 H 1 3.073 0.000 . . . . . . A 92 LYS HE2 . 34730 1 802 . 1 . 1 74 74 LYS HE3 H 1 3.073 0.000 . . . . . . A 92 LYS HE3 . 34730 1 803 . 1 . 1 74 74 LYS C C 13 179.150 0.000 . . . . . . A 92 LYS C . 34730 1 804 . 1 . 1 74 74 LYS CA C 13 59.610 0.000 . . . . . . A 92 LYS CA . 34730 1 805 . 1 . 1 74 74 LYS CB C 13 32.220 0.000 . . . . . . A 92 LYS CB . 34730 1 806 . 1 . 1 74 74 LYS N N 15 115.870 0.000 . . . . . . A 92 LYS N . 34730 1 807 . 1 . 1 75 75 ASN H H 1 7.722 0.000 . . . . . . A 93 ASN H . 34730 1 808 . 1 . 1 75 75 ASN HA H 1 4.523 0.000 . . . . . . A 93 ASN HA . 34730 1 809 . 1 . 1 75 75 ASN HB2 H 1 2.944 0.000 . . . . . . A 93 ASN HB2 . 34730 1 810 . 1 . 1 75 75 ASN HB3 H 1 2.782 0.000 . . . . . . A 93 ASN HB3 . 34730 1 811 . 1 . 1 75 75 ASN HD21 H 1 7.662 0.000 . . . . . . A 93 ASN HD21 . 34730 1 812 . 1 . 1 75 75 ASN HD22 H 1 7.066 0.000 . . . . . . A 93 ASN HD22 . 34730 1 813 . 1 . 1 75 75 ASN C C 13 177.680 0.000 . . . . . . A 93 ASN C . 34730 1 814 . 1 . 1 75 75 ASN CA C 13 55.800 0.000 . . . . . . A 93 ASN CA . 34730 1 815 . 1 . 1 75 75 ASN CB C 13 38.350 0.000 . . . . . . A 93 ASN CB . 34730 1 816 . 1 . 1 75 75 ASN N N 15 117.970 0.000 . . . . . . A 93 ASN N . 34730 1 817 . 1 . 1 75 75 ASN ND2 N 15 113.580 0.000 . . . . . . A 93 ASN ND2 . 34730 1 818 . 1 . 1 76 76 TYR H H 1 8.194 0.000 . . . . . . A 94 TYR H . 34730 1 819 . 1 . 1 76 76 TYR HA H 1 4.118 0.000 . . . . . . A 94 TYR HA . 34730 1 820 . 1 . 1 76 76 TYR HB2 H 1 3.291 0.000 . . . . . . A 94 TYR HB2 . 34730 1 821 . 1 . 1 76 76 TYR HB3 H 1 3.086 0.000 . . . . . . A 94 TYR HB3 . 34730 1 822 . 1 . 1 76 76 TYR HD1 H 1 6.945 0.000 . . . . . . A 94 TYR HD1 . 34730 1 823 . 1 . 1 76 76 TYR HD2 H 1 6.945 0.000 . . . . . . A 94 TYR HD2 . 34730 1 824 . 1 . 1 76 76 TYR HE1 H 1 6.732 0.000 . . . . . . A 94 TYR HE1 . 34730 1 825 . 1 . 1 76 76 TYR HE2 H 1 6.732 0.000 . . . . . . A 94 TYR HE2 . 34730 1 826 . 1 . 1 76 76 TYR C C 13 177.460 0.000 . . . . . . A 94 TYR C . 34730 1 827 . 1 . 1 76 76 TYR CA C 13 62.250 0.000 . . . . . . A 94 TYR CA . 34730 1 828 . 1 . 1 76 76 TYR CB C 13 37.660 0.000 . . . . . . A 94 TYR CB . 34730 1 829 . 1 . 1 76 76 TYR N N 15 124.250 0.000 . . . . . . A 94 TYR N . 34730 1 830 . 1 . 1 77 77 LEU H H 1 8.126 0.000 . . . . . . A 95 LEU H . 34730 1 831 . 1 . 1 77 77 LEU HA H 1 3.665 0.000 . . . . . . A 95 LEU HA . 34730 1 832 . 1 . 1 77 77 LEU HB2 H 1 1.262 0.000 . . . . . . A 95 LEU HB2 . 34730 1 833 . 1 . 1 77 77 LEU HB3 H 1 1.552 0.000 . . . . . . A 95 LEU HB3 . 34730 1 834 . 1 . 1 77 77 LEU HG H 1 1.180 0.000 . . . . . . A 95 LEU HG . 34730 1 835 . 1 . 1 77 77 LEU HD11 H 1 0.618 0.000 . . . . . . A 95 LEU HD11 . 34730 1 836 . 1 . 1 77 77 LEU HD12 H 1 0.618 0.000 . . . . . . A 95 LEU HD12 . 34730 1 837 . 1 . 1 77 77 LEU HD13 H 1 0.618 0.000 . . . . . . A 95 LEU HD13 . 34730 1 838 . 1 . 1 77 77 LEU HD21 H 1 0.669 0.000 . . . . . . A 95 LEU HD21 . 34730 1 839 . 1 . 1 77 77 LEU HD22 H 1 0.669 0.000 . . . . . . A 95 LEU HD22 . 34730 1 840 . 1 . 1 77 77 LEU HD23 H 1 0.669 0.000 . . . . . . A 95 LEU HD23 . 34730 1 841 . 1 . 1 77 77 LEU C C 13 179.390 0.000 . . . . . . A 95 LEU C . 34730 1 842 . 1 . 1 77 77 LEU CA C 13 57.230 0.000 . . . . . . A 95 LEU CA . 34730 1 843 . 1 . 1 77 77 LEU CB C 13 41.800 0.000 . . . . . . A 95 LEU CB . 34730 1 844 . 1 . 1 77 77 LEU N N 15 118.550 0.000 . . . . . . A 95 LEU N . 34730 1 845 . 1 . 1 78 78 ARG H H 1 7.441 0.000 . . . . . . A 96 ARG H . 34730 1 846 . 1 . 1 78 78 ARG HA H 1 3.979 0.000 . . . . . . A 96 ARG HA . 34730 1 847 . 1 . 1 78 78 ARG HB2 H 1 1.883 0.000 . . . . . . A 96 ARG HB2 . 34730 1 848 . 1 . 1 78 78 ARG HB3 H 1 1.732 0.000 . . . . . . A 96 ARG HB3 . 34730 1 849 . 1 . 1 78 78 ARG HG2 H 1 1.700 0.000 . . . . . . A 96 ARG HG2 . 34730 1 850 . 1 . 1 78 78 ARG HG3 H 1 1.595 0.000 . . . . . . A 96 ARG HG3 . 34730 1 851 . 1 . 1 78 78 ARG HD2 H 1 3.186 0.000 . . . . . . A 96 ARG HD2 . 34730 1 852 . 1 . 1 78 78 ARG HD3 H 1 3.163 0.000 . . . . . . A 96 ARG HD3 . 34730 1 853 . 1 . 1 78 78 ARG HE H 1 7.186 0.000 . . . . . . A 96 ARG HE . 34730 1 854 . 1 . 1 78 78 ARG C C 13 177.590 0.000 . . . . . . A 96 ARG C . 34730 1 855 . 1 . 1 78 78 ARG CA C 13 58.340 0.000 . . . . . . A 96 ARG CA . 34730 1 856 . 1 . 1 78 78 ARG CB C 13 30.200 0.000 . . . . . . A 96 ARG CB . 34730 1 857 . 1 . 1 78 78 ARG N N 15 116.970 0.000 . . . . . . A 96 ARG N . 34730 1 858 . 1 . 1 78 78 ARG NE N 15 84.390 0.000 . . . . . . A 96 ARG NE . 34730 1 859 . 1 . 1 79 79 GLN H H 1 7.711 0.000 . . . . . . A 97 GLN H . 34730 1 860 . 1 . 1 79 79 GLN HA H 1 4.027 0.000 . . . . . . A 97 GLN HA . 34730 1 861 . 1 . 1 79 79 GLN HB2 H 1 1.982 0.000 . . . . . . A 97 GLN HB2 . 34730 1 862 . 1 . 1 79 79 GLN HB3 H 1 1.900 0.000 . . . . . . A 97 GLN HB3 . 34730 1 863 . 1 . 1 79 79 GLN HG2 H 1 2.331 0.000 . . . . . . A 97 GLN HG2 . 34730 1 864 . 1 . 1 79 79 GLN HG3 H 1 2.272 0.000 . . . . . . A 97 GLN HG3 . 34730 1 865 . 1 . 1 79 79 GLN HE21 H 1 7.204 0.000 . . . . . . A 97 GLN HE21 . 34730 1 866 . 1 . 1 79 79 GLN HE22 H 1 6.690 0.000 . . . . . . A 97 GLN HE22 . 34730 1 867 . 1 . 1 79 79 GLN C C 13 177.190 0.000 . . . . . . A 97 GLN C . 34730 1 868 . 1 . 1 79 79 GLN CA C 13 57.470 0.000 . . . . . . A 97 GLN CA . 34730 1 869 . 1 . 1 79 79 GLN CB C 13 28.860 0.000 . . . . . . A 97 GLN CB . 34730 1 870 . 1 . 1 79 79 GLN N N 15 117.370 0.000 . . . . . . A 97 GLN N . 34730 1 871 . 1 . 1 79 79 GLN NE2 N 15 111.280 0.000 . . . . . . A 97 GLN NE2 . 34730 1 872 . 1 . 1 80 80 GLU H H 1 7.957 0.000 . . . . . . A 98 GLU H . 34730 1 873 . 1 . 1 80 80 GLU HA H 1 3.940 0.000 . . . . . . A 98 GLU HA . 34730 1 874 . 1 . 1 80 80 GLU HB2 H 1 1.878 0.000 . . . . . . A 98 GLU HB2 . 34730 1 875 . 1 . 1 80 80 GLU HB3 H 1 1.755 0.000 . . . . . . A 98 GLU HB3 . 34730 1 876 . 1 . 1 80 80 GLU HG2 H 1 2.110 0.000 . . . . . . A 98 GLU HG2 . 34730 1 877 . 1 . 1 80 80 GLU HG3 H 1 2.008 0.000 . . . . . . A 98 GLU HG3 . 34730 1 878 . 1 . 1 80 80 GLU C C 13 177.690 0.000 . . . . . . A 98 GLU C . 34730 1 879 . 1 . 1 80 80 GLU CA C 13 57.980 0.000 . . . . . . A 98 GLU CA . 34730 1 880 . 1 . 1 80 80 GLU CB C 13 29.160 0.000 . . . . . . A 98 GLU CB . 34730 1 881 . 1 . 1 80 80 GLU N N 15 119.620 0.000 . . . . . . A 98 GLU N . 34730 1 882 . 1 . 1 81 81 ILE H H 1 7.697 0.000 . . . . . . A 99 ILE H . 34730 1 883 . 1 . 1 81 81 ILE HA H 1 3.940 0.000 . . . . . . A 99 ILE HA . 34730 1 884 . 1 . 1 81 81 ILE HB H 1 1.883 0.000 . . . . . . A 99 ILE HB . 34730 1 885 . 1 . 1 81 81 ILE HG12 H 1 1.512 0.000 . . . . . . A 99 ILE HG12 . 34730 1 886 . 1 . 1 81 81 ILE HG13 H 1 1.170 0.000 . . . . . . A 99 ILE HG13 . 34730 1 887 . 1 . 1 81 81 ILE HG21 H 1 0.874 0.000 . . . . . . A 99 ILE HG21 . 34730 1 888 . 1 . 1 81 81 ILE HG22 H 1 0.874 0.000 . . . . . . A 99 ILE HG22 . 34730 1 889 . 1 . 1 81 81 ILE HG23 H 1 0.874 0.000 . . . . . . A 99 ILE HG23 . 34730 1 890 . 1 . 1 81 81 ILE HD11 H 1 0.812 0.000 . . . . . . A 99 ILE HD11 . 34730 1 891 . 1 . 1 81 81 ILE HD12 H 1 0.812 0.000 . . . . . . A 99 ILE HD12 . 34730 1 892 . 1 . 1 81 81 ILE HD13 H 1 0.812 0.000 . . . . . . A 99 ILE HD13 . 34730 1 893 . 1 . 1 81 81 ILE C C 13 177.360 0.000 . . . . . . A 99 ILE C . 34730 1 894 . 1 . 1 81 81 ILE CA C 13 62.720 0.000 . . . . . . A 99 ILE CA . 34730 1 895 . 1 . 1 81 81 ILE CB C 13 38.170 0.000 . . . . . . A 99 ILE CB . 34730 1 896 . 1 . 1 81 81 ILE N N 15 119.150 0.000 . . . . . . A 99 ILE N . 34730 1 897 . 1 . 1 82 82 LEU H H 1 7.806 0.000 . . . . . . A 100 LEU H . 34730 1 898 . 1 . 1 82 82 LEU HA H 1 4.202 0.000 . . . . . . A 100 LEU HA . 34730 1 899 . 1 . 1 82 82 LEU HB2 H 1 1.696 0.000 . . . . . . A 100 LEU HB2 . 34730 1 900 . 1 . 1 82 82 LEU HB3 H 1 1.532 0.000 . . . . . . A 100 LEU HB3 . 34730 1 901 . 1 . 1 82 82 LEU HG H 1 1.641 0.000 . . . . . . A 100 LEU HG . 34730 1 902 . 1 . 1 82 82 LEU HD11 H 1 0.860 0.000 . . . . . . A 100 LEU HD11 . 34730 1 903 . 1 . 1 82 82 LEU HD12 H 1 0.860 0.000 . . . . . . A 100 LEU HD12 . 34730 1 904 . 1 . 1 82 82 LEU HD13 H 1 0.860 0.000 . . . . . . A 100 LEU HD13 . 34730 1 905 . 1 . 1 82 82 LEU HD21 H 1 0.822 0.000 . . . . . . A 100 LEU HD21 . 34730 1 906 . 1 . 1 82 82 LEU HD22 H 1 0.822 0.000 . . . . . . A 100 LEU HD22 . 34730 1 907 . 1 . 1 82 82 LEU HD23 H 1 0.822 0.000 . . . . . . A 100 LEU HD23 . 34730 1 908 . 1 . 1 82 82 LEU C C 13 177.620 0.000 . . . . . . A 100 LEU C . 34730 1 909 . 1 . 1 82 82 LEU CA C 13 56.020 0.000 . . . . . . A 100 LEU CA . 34730 1 910 . 1 . 1 82 82 LEU CB C 13 42.120 0.000 . . . . . . A 100 LEU CB . 34730 1 911 . 1 . 1 82 82 LEU N N 15 121.810 0.000 . . . . . . A 100 LEU N . 34730 1 912 . 1 . 1 83 83 ASN H H 1 7.997 0.000 . . . . . . A 101 ASN H . 34730 1 913 . 1 . 1 83 83 ASN HA H 1 4.609 0.000 . . . . . . A 101 ASN HA . 34730 1 914 . 1 . 1 83 83 ASN HB2 H 1 2.859 0.000 . . . . . . A 101 ASN HB2 . 34730 1 915 . 1 . 1 83 83 ASN HB3 H 1 2.727 0.000 . . . . . . A 101 ASN HB3 . 34730 1 916 . 1 . 1 83 83 ASN HD21 H 1 7.461 0.000 . . . . . . A 101 ASN HD21 . 34730 1 917 . 1 . 1 83 83 ASN HD22 H 1 6.801 0.000 . . . . . . A 101 ASN HD22 . 34730 1 918 . 1 . 1 83 83 ASN C C 13 175.050 0.000 . . . . . . A 101 ASN C . 34730 1 919 . 1 . 1 83 83 ASN CA C 13 53.700 0.000 . . . . . . A 101 ASN CA . 34730 1 920 . 1 . 1 83 83 ASN CB C 13 38.790 0.000 . . . . . . A 101 ASN CB . 34730 1 921 . 1 . 1 83 83 ASN N N 15 116.980 0.000 . . . . . . A 101 ASN N . 34730 1 922 . 1 . 1 83 83 ASN ND2 N 15 112.280 0.000 . . . . . . A 101 ASN ND2 . 34730 1 923 . 1 . 1 84 84 GLU H H 1 8.016 0.000 . . . . . . A 102 GLU H . 34730 1 924 . 1 . 1 84 84 GLU HA H 1 4.257 0.000 . . . . . . A 102 GLU HA . 34730 1 925 . 1 . 1 84 84 GLU HB2 H 1 2.092 0.000 . . . . . . A 102 GLU HB2 . 34730 1 926 . 1 . 1 84 84 GLU HB3 H 1 1.978 0.000 . . . . . . A 102 GLU HB3 . 34730 1 927 . 1 . 1 84 84 GLU HG2 H 1 2.367 0.000 . . . . . . A 102 GLU HG2 . 34730 1 928 . 1 . 1 84 84 GLU HG3 H 1 2.299 0.000 . . . . . . A 102 GLU HG3 . 34730 1 929 . 1 . 1 84 84 GLU C C 13 175.830 0.000 . . . . . . A 102 GLU C . 34730 1 930 . 1 . 1 84 84 GLU CA C 13 56.560 0.000 . . . . . . A 102 GLU CA . 34730 1 931 . 1 . 1 84 84 GLU CB C 13 29.720 0.000 . . . . . . A 102 GLU CB . 34730 1 932 . 1 . 1 84 84 GLU N N 15 119.000 0.000 . . . . . . A 102 GLU N . 34730 1 933 . 1 . 1 85 85 ARG H H 1 8.052 0.000 . . . . . . A 103 ARG H . 34730 1 934 . 1 . 1 85 85 ARG HA H 1 4.528 0.000 . . . . . . A 103 ARG HA . 34730 1 935 . 1 . 1 85 85 ARG HB2 H 1 1.741 0.000 . . . . . . A 103 ARG HB2 . 34730 1 936 . 1 . 1 85 85 ARG HB3 H 1 1.649 0.000 . . . . . . A 103 ARG HB3 . 34730 1 937 . 1 . 1 85 85 ARG HG2 H 1 1.563 0.000 . . . . . . A 103 ARG HG2 . 34730 1 938 . 1 . 1 85 85 ARG HG3 H 1 1.535 0.000 . . . . . . A 103 ARG HG3 . 34730 1 939 . 1 . 1 85 85 ARG HD2 H 1 3.086 0.000 . . . . . . A 103 ARG HD2 . 34730 1 940 . 1 . 1 85 85 ARG HD3 H 1 3.059 0.000 . . . . . . A 103 ARG HD3 . 34730 1 941 . 1 . 1 85 85 ARG HE H 1 7.145 0.000 . . . . . . A 103 ARG HE . 34730 1 942 . 1 . 1 85 85 ARG C C 13 173.920 0.000 . . . . . . A 103 ARG C . 34730 1 943 . 1 . 1 85 85 ARG CA C 13 54.040 0.000 . . . . . . A 103 ARG CA . 34730 1 944 . 1 . 1 85 85 ARG CB C 13 30.590 0.000 . . . . . . A 103 ARG CB . 34730 1 945 . 1 . 1 85 85 ARG N N 15 121.280 0.000 . . . . . . A 103 ARG N . 34730 1 946 . 1 . 1 85 85 ARG NE N 15 84.830 0.000 . . . . . . A 103 ARG NE . 34730 1 947 . 1 . 1 86 86 PRO HA H 1 4.295 0.000 . . . . . . A 104 PRO HA . 34730 1 948 . 1 . 1 86 86 PRO HB2 H 1 2.078 0.000 . . . . . . A 104 PRO HB2 . 34730 1 949 . 1 . 1 86 86 PRO HB3 H 1 1.904 0.000 . . . . . . A 104 PRO HB3 . 34730 1 950 . 1 . 1 86 86 PRO HG2 H 1 1.960 0.000 . . . . . . A 104 PRO HG2 . 34730 1 951 . 1 . 1 86 86 PRO HG3 H 1 1.942 0.000 . . . . . . A 104 PRO HG3 . 34730 1 952 . 1 . 1 86 86 PRO HD2 H 1 3.695 0.000 . . . . . . A 104 PRO HD2 . 34730 1 953 . 1 . 1 86 86 PRO HD3 H 1 3.527 0.000 . . . . . . A 104 PRO HD3 . 34730 1 954 . 1 . 1 86 86 PRO C C 13 176.120 0.000 . . . . . . A 104 PRO C . 34730 1 955 . 1 . 1 86 86 PRO CA C 13 63.230 0.000 . . . . . . A 104 PRO CA . 34730 1 956 . 1 . 1 86 86 PRO CB C 13 31.840 0.000 . . . . . . A 104 PRO CB . 34730 1 957 . 1 . 1 87 87 PHE H H 1 7.885 0.000 . . . . . . A 105 PHE H . 34730 1 958 . 1 . 1 87 87 PHE HA H 1 4.506 0.000 . . . . . . A 105 PHE HA . 34730 1 959 . 1 . 1 87 87 PHE HB2 H 1 2.940 0.000 . . . . . . A 105 PHE HB2 . 34730 1 960 . 1 . 1 87 87 PHE HB3 H 1 2.897 0.000 . . . . . . A 105 PHE HB3 . 34730 1 961 . 1 . 1 87 87 PHE HD1 H 1 7.103 0.000 . . . . . . A 105 PHE HD1 . 34730 1 962 . 1 . 1 87 87 PHE HD2 H 1 7.103 0.000 . . . . . . A 105 PHE HD2 . 34730 1 963 . 1 . 1 87 87 PHE HE1 H 1 7.268 0.000 . . . . . . A 105 PHE HE1 . 34730 1 964 . 1 . 1 87 87 PHE HE2 H 1 7.268 0.000 . . . . . . A 105 PHE HE2 . 34730 1 965 . 1 . 1 87 87 PHE HZ H 1 7.279 0.000 . . . . . . A 105 PHE HZ . 34730 1 966 . 1 . 1 87 87 PHE C C 13 174.430 0.000 . . . . . . A 105 PHE C . 34730 1 967 . 1 . 1 87 87 PHE CA C 13 57.430 0.000 . . . . . . A 105 PHE CA . 34730 1 968 . 1 . 1 87 87 PHE CB C 13 39.800 0.000 . . . . . . A 105 PHE CB . 34730 1 969 . 1 . 1 87 87 PHE N N 15 119.160 0.000 . . . . . . A 105 PHE N . 34730 1 970 . 1 . 1 88 88 TRP H H 1 7.898 0.000 . . . . . . A 106 TRP H . 34730 1 971 . 1 . 1 88 88 TRP HA H 1 4.927 0.000 . . . . . . A 106 TRP HA . 34730 1 972 . 1 . 1 88 88 TRP HB2 H 1 3.288 0.000 . . . . . . A 106 TRP HB2 . 34730 1 973 . 1 . 1 88 88 TRP HB3 H 1 3.053 0.000 . . . . . . A 106 TRP HB3 . 34730 1 974 . 1 . 1 88 88 TRP HD1 H 1 7.219 0.000 . . . . . . A 106 TRP HD1 . 34730 1 975 . 1 . 1 88 88 TRP HE1 H 1 10.045 0.000 . . . . . . A 106 TRP HE1 . 34730 1 976 . 1 . 1 88 88 TRP HE3 H 1 7.647 0.000 . . . . . . A 106 TRP HE3 . 34730 1 977 . 1 . 1 88 88 TRP HZ2 H 1 7.460 0.000 . . . . . . A 106 TRP HZ2 . 34730 1 978 . 1 . 1 88 88 TRP HZ3 H 1 7.093 0.000 . . . . . . A 106 TRP HZ3 . 34730 1 979 . 1 . 1 88 88 TRP HH2 H 1 7.169 0.000 . . . . . . A 106 TRP HH2 . 34730 1 980 . 1 . 1 88 88 TRP C C 13 173.070 0.000 . . . . . . A 106 TRP C . 34730 1 981 . 1 . 1 88 88 TRP CA C 13 54.340 0.000 . . . . . . A 106 TRP CA . 34730 1 982 . 1 . 1 88 88 TRP CB C 13 29.370 0.000 . . . . . . A 106 TRP CB . 34730 1 983 . 1 . 1 88 88 TRP N N 15 124.480 0.000 . . . . . . A 106 TRP N . 34730 1 984 . 1 . 1 88 88 TRP NE1 N 15 128.780 0.000 . . . . . . A 106 TRP NE1 . 34730 1 985 . 1 . 1 89 89 PRO HA H 1 4.449 0.000 . . . . . . A 107 PRO HA . 34730 1 986 . 1 . 1 89 89 PRO HB2 H 1 2.255 0.000 . . . . . . A 107 PRO HB2 . 34730 1 987 . 1 . 1 89 89 PRO HB3 H 1 1.842 0.000 . . . . . . A 107 PRO HB3 . 34730 1 988 . 1 . 1 89 89 PRO HG2 H 1 1.990 0.000 . . . . . . A 107 PRO HG2 . 34730 1 989 . 1 . 1 89 89 PRO HG3 H 1 1.950 0.000 . . . . . . A 107 PRO HG3 . 34730 1 990 . 1 . 1 89 89 PRO HD2 H 1 3.559 0.000 . . . . . . A 107 PRO HD2 . 34730 1 991 . 1 . 1 89 89 PRO HD3 H 1 3.542 0.000 . . . . . . A 107 PRO HD3 . 34730 1 stop_ save_