data_34779 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34779 _Entry.Title ; apo structure of the specific silver chaperone needed for bacterial silver resistance ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-12-08 _Entry.Accession_date 2022-12-08 _Entry.Last_release_date 2023-01-05 _Entry.Original_release_date 2023-01-05 _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 Y. Monneau Y. R. . . 34779 2 O. Walker O. . . . 34779 3 M. Hologne M. . . . 34779 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'METAL BINDING PROTEIN' . 34779 'Silver binding protein periplasmic protein plasmid-encoded protein bacteria silver resistance metal coordination' . 34779 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34779 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 343 34779 '15N chemical shifts' 85 34779 '1H chemical shifts' 561 34779 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-10-28 2022-12-08 update BMRB 'update entry citation' 34779 1 . . 2023-10-20 2022-12-08 original author 'original release' 34779 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8BXJ 'BMRB Entry Tracking System' 34779 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34779 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37394004 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The battle for silver binding: How the interplay between the SilE, SilF, and SilB proteins contributes to the silver efflux pump mechanism ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 299 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 105004 _Citation.Page_last 105004 _Citation.Year 2023 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Cyrielle Arrault C. . . . 34779 1 2 'Yoan Rocky' Monneau Y. R. . . 34779 1 3 Marie Martin M. . . . 34779 1 4 Francois-Xavier Cantrelle F. X. . . 34779 1 5 Emmanuelle Boll E. . . . 34779 1 6 Fabien Chirot F. . . . 34779 1 7 Clothilde 'Comby Zerbino' C. . . . 34779 1 8 Olivier Walker O. . . . 34779 1 9 Maggy Hologne M. . . . 34779 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34779 _Assembly.ID 1 _Assembly.Name 'Copper ABC transporter substrate-binding 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 . . . . . . 34779 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34779 _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 ; GAMGMLKHISHGDMNAASDA SVQQVIKGTGIVKDIDMNSK KITISHEAIPAVGWPAMTMR FTFVNADDAINALKTGNHVD FSFIQQGNISLLKSINVTQS ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10711.252 _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 -3 GLY . 34779 1 2 -2 ALA . 34779 1 3 -1 MET . 34779 1 4 0 GLY . 34779 1 5 1 MET . 34779 1 6 2 LEU . 34779 1 7 3 LYS . 34779 1 8 4 HIS . 34779 1 9 5 ILE . 34779 1 10 6 SER . 34779 1 11 7 HIS . 34779 1 12 8 GLY . 34779 1 13 9 ASP . 34779 1 14 10 MET . 34779 1 15 11 ASN . 34779 1 16 12 ALA . 34779 1 17 13 ALA . 34779 1 18 14 SER . 34779 1 19 15 ASP . 34779 1 20 16 ALA . 34779 1 21 17 SER . 34779 1 22 18 VAL . 34779 1 23 19 GLN . 34779 1 24 20 GLN . 34779 1 25 21 VAL . 34779 1 26 22 ILE . 34779 1 27 23 LYS . 34779 1 28 24 GLY . 34779 1 29 25 THR . 34779 1 30 26 GLY . 34779 1 31 27 ILE . 34779 1 32 28 VAL . 34779 1 33 29 LYS . 34779 1 34 30 ASP . 34779 1 35 31 ILE . 34779 1 36 32 ASP . 34779 1 37 33 MET . 34779 1 38 34 ASN . 34779 1 39 35 SER . 34779 1 40 36 LYS . 34779 1 41 37 LYS . 34779 1 42 38 ILE . 34779 1 43 39 THR . 34779 1 44 40 ILE . 34779 1 45 41 SER . 34779 1 46 42 HIS . 34779 1 47 43 GLU . 34779 1 48 44 ALA . 34779 1 49 45 ILE . 34779 1 50 46 PRO . 34779 1 51 47 ALA . 34779 1 52 48 VAL . 34779 1 53 49 GLY . 34779 1 54 50 TRP . 34779 1 55 51 PRO . 34779 1 56 52 ALA . 34779 1 57 53 MET . 34779 1 58 54 THR . 34779 1 59 55 MET . 34779 1 60 56 ARG . 34779 1 61 57 PHE . 34779 1 62 58 THR . 34779 1 63 59 PHE . 34779 1 64 60 VAL . 34779 1 65 61 ASN . 34779 1 66 62 ALA . 34779 1 67 63 ASP . 34779 1 68 64 ASP . 34779 1 69 65 ALA . 34779 1 70 66 ILE . 34779 1 71 67 ASN . 34779 1 72 68 ALA . 34779 1 73 69 LEU . 34779 1 74 70 LYS . 34779 1 75 71 THR . 34779 1 76 72 GLY . 34779 1 77 73 ASN . 34779 1 78 74 HIS . 34779 1 79 75 VAL . 34779 1 80 76 ASP . 34779 1 81 77 PHE . 34779 1 82 78 SER . 34779 1 83 79 PHE . 34779 1 84 80 ILE . 34779 1 85 81 GLN . 34779 1 86 82 GLN . 34779 1 87 83 GLY . 34779 1 88 84 ASN . 34779 1 89 85 ILE . 34779 1 90 86 SER . 34779 1 91 87 LEU . 34779 1 92 88 LEU . 34779 1 93 89 LYS . 34779 1 94 90 SER . 34779 1 95 91 ILE . 34779 1 96 92 ASN . 34779 1 97 93 VAL . 34779 1 98 94 THR . 34779 1 99 95 GLN . 34779 1 100 96 SER . 34779 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 34779 1 . ALA 2 2 34779 1 . MET 3 3 34779 1 . GLY 4 4 34779 1 . MET 5 5 34779 1 . LEU 6 6 34779 1 . LYS 7 7 34779 1 . HIS 8 8 34779 1 . ILE 9 9 34779 1 . SER 10 10 34779 1 . HIS 11 11 34779 1 . GLY 12 12 34779 1 . ASP 13 13 34779 1 . MET 14 14 34779 1 . ASN 15 15 34779 1 . ALA 16 16 34779 1 . ALA 17 17 34779 1 . SER 18 18 34779 1 . ASP 19 19 34779 1 . ALA 20 20 34779 1 . SER 21 21 34779 1 . VAL 22 22 34779 1 . GLN 23 23 34779 1 . GLN 24 24 34779 1 . VAL 25 25 34779 1 . ILE 26 26 34779 1 . LYS 27 27 34779 1 . GLY 28 28 34779 1 . THR 29 29 34779 1 . GLY 30 30 34779 1 . ILE 31 31 34779 1 . VAL 32 32 34779 1 . LYS 33 33 34779 1 . ASP 34 34 34779 1 . ILE 35 35 34779 1 . ASP 36 36 34779 1 . MET 37 37 34779 1 . ASN 38 38 34779 1 . SER 39 39 34779 1 . LYS 40 40 34779 1 . LYS 41 41 34779 1 . ILE 42 42 34779 1 . THR 43 43 34779 1 . ILE 44 44 34779 1 . SER 45 45 34779 1 . HIS 46 46 34779 1 . GLU 47 47 34779 1 . ALA 48 48 34779 1 . ILE 49 49 34779 1 . PRO 50 50 34779 1 . ALA 51 51 34779 1 . VAL 52 52 34779 1 . GLY 53 53 34779 1 . TRP 54 54 34779 1 . PRO 55 55 34779 1 . ALA 56 56 34779 1 . MET 57 57 34779 1 . THR 58 58 34779 1 . MET 59 59 34779 1 . ARG 60 60 34779 1 . PHE 61 61 34779 1 . THR 62 62 34779 1 . PHE 63 63 34779 1 . VAL 64 64 34779 1 . ASN 65 65 34779 1 . ALA 66 66 34779 1 . ASP 67 67 34779 1 . ASP 68 68 34779 1 . ALA 69 69 34779 1 . ILE 70 70 34779 1 . ASN 71 71 34779 1 . ALA 72 72 34779 1 . LEU 73 73 34779 1 . LYS 74 74 34779 1 . THR 75 75 34779 1 . GLY 76 76 34779 1 . ASN 77 77 34779 1 . HIS 78 78 34779 1 . VAL 79 79 34779 1 . ASP 80 80 34779 1 . PHE 81 81 34779 1 . SER 82 82 34779 1 . PHE 83 83 34779 1 . ILE 84 84 34779 1 . GLN 85 85 34779 1 . GLN 86 86 34779 1 . GLY 87 87 34779 1 . ASN 88 88 34779 1 . ILE 89 89 34779 1 . SER 90 90 34779 1 . LEU 91 91 34779 1 . LEU 92 92 34779 1 . LYS 93 93 34779 1 . SER 94 94 34779 1 . ILE 95 95 34779 1 . ASN 96 96 34779 1 . VAL 97 97 34779 1 . THR 98 98 34779 1 . GLN 99 99 34779 1 . SER 100 100 34779 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 34779 _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 . 90371 organism . 'Salmonella enterica subsp. enterica serovar Typhimurium' 'Salmonella enterica subsp. enterica serovar Typhimurium' . . Bacteria . Salmonella enterica . . . . . . . . . . . ORF96 . 34779 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 34779 _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 . . . . . . . . . . . . 34779 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34779 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM SilF, 20 mM MES, 100 mM NaCl, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 SilF 'natural abundance' . . 1 $entity_1 . . 300 . . uM . . . . 34779 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 34779 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34779 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34779 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uM [U-100% 13C; U-100% 15N] SilF, 20 mM MES, 100 mM NaCl, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 SilF '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 34779 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 34779 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34779 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 34779 _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' 220 . mM 34779 1 pH 6.8 . pH 34779 1 pressure 1 . atm 34779 1 temperature 293 . K 34779 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34779 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 4.01 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34779 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34779 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34779 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34779 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34779 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34779 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details ; Bioinformatics. 2015 Apr 15; 31(8):1325-7. Epub 2014 Dec 12 NMRFAM-SPARKY: enhanced software for biomolecular NMR spectroscopy. Lee W, Tonelli M, Markley JL ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NMRFAM-SPARKY . . 34779 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34779 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34779 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34779 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34779 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34779 _Software.ID 5 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34779 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34779 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34779 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 600MHz _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 34779 _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 600MHz . 600 . . . 34779 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 34779 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34779 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34779 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34779 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34779 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34779 1 6 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34779 1 7 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34779 1 8 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34779 1 9 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34779 1 10 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34779 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34779 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34779 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34779 1 14 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34779 1 15 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34779 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34779 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 34779 _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 0.000 internal indirect 0.251449530 . . . . . 34779 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34779 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34779 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 34779 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34779 1 2 '2D 1H-13C HSQC aliphatic' . . . 34779 1 3 '2D 1H-13C HSQC aromatic' . . . 34779 1 4 '2D 1H-1H TOCSY' . . . 34779 1 5 '3D CBCA(CO)NH' . . . 34779 1 6 '3D HNCACB' . . . 34779 1 7 '3D HNCO' . . . 34779 1 8 '2D (HB)CB(CGCD)HD' . . . 34779 1 9 '3D HNCA' . . . 34779 1 10 '3D HN(CO)CA' . . . 34779 1 11 '3D HBHA(CO)NH' . . . 34779 1 12 '3D HCCH-TOCSY' . . . 34779 1 13 '3D HCCH-TOCSY' . . . 34779 1 14 '3D 1H-15N TOCSY' . . . 34779 1 15 '3D 1H-13C NOESY' . . . 34779 1 16 '3D 1H-15N NOESY' . . . 34779 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 24 24 GLN H H 1 8.399 0.010 . 1 . . . . A 20 GLN H . 34779 1 2 . 1 . 1 24 24 GLN HA H 1 4.212 0.003 . 1 . . . . A 20 GLN HA . 34779 1 3 . 1 . 1 24 24 GLN HB2 H 1 1.900 0.004 . 2 . . . . A 20 GLN HB2 . 34779 1 4 . 1 . 1 24 24 GLN HB3 H 1 1.935 0.003 . 2 . . . . A 20 GLN HB3 . 34779 1 5 . 1 . 1 24 24 GLN HG2 H 1 2.179 0.014 . 2 . . . . A 20 GLN HG2 . 34779 1 6 . 1 . 1 24 24 GLN HG3 H 1 2.238 0.007 . 2 . . . . A 20 GLN HG3 . 34779 1 7 . 1 . 1 24 24 GLN HE21 H 1 6.816 0.000 . 1 . . . . A 20 GLN HE21 . 34779 1 8 . 1 . 1 24 24 GLN HE22 H 1 7.483 0.000 . 1 . . . . A 20 GLN HE22 . 34779 1 9 . 1 . 1 24 24 GLN C C 13 174.511 0.000 . 1 . . . . A 20 GLN C . 34779 1 10 . 1 . 1 24 24 GLN CA C 13 55.561 0.079 . 1 . . . . A 20 GLN CA . 34779 1 11 . 1 . 1 24 24 GLN CB C 13 29.436 0.106 . 1 . . . . A 20 GLN CB . 34779 1 12 . 1 . 1 24 24 GLN CG C 13 33.513 0.136 . 1 . . . . A 20 GLN CG . 34779 1 13 . 1 . 1 24 24 GLN N N 15 123.012 0.128 . 1 . . . . A 20 GLN N . 34779 1 14 . 1 . 1 24 24 GLN NE2 N 15 112.134 0.006 . 1 . . . . A 20 GLN NE2 . 34779 1 15 . 1 . 1 25 25 VAL H H 1 8.176 0.016 . 1 . . . . A 21 VAL H . 34779 1 16 . 1 . 1 25 25 VAL HA H 1 3.998 0.008 . 1 . . . . A 21 VAL HA . 34779 1 17 . 1 . 1 25 25 VAL HB H 1 1.809 0.006 . 1 . . . . A 21 VAL HB . 34779 1 18 . 1 . 1 25 25 VAL HG11 H 1 0.791 0.004 . 2 . . . . A 21 VAL HG11 . 34779 1 19 . 1 . 1 25 25 VAL HG12 H 1 0.791 0.004 . 2 . . . . A 21 VAL HG12 . 34779 1 20 . 1 . 1 25 25 VAL HG13 H 1 0.791 0.004 . 2 . . . . A 21 VAL HG13 . 34779 1 21 . 1 . 1 25 25 VAL HG21 H 1 0.710 0.004 . 2 . . . . A 21 VAL HG21 . 34779 1 22 . 1 . 1 25 25 VAL HG22 H 1 0.710 0.004 . 2 . . . . A 21 VAL HG22 . 34779 1 23 . 1 . 1 25 25 VAL HG23 H 1 0.710 0.004 . 2 . . . . A 21 VAL HG23 . 34779 1 24 . 1 . 1 25 25 VAL C C 13 175.055 0.000 . 1 . . . . A 21 VAL C . 34779 1 25 . 1 . 1 25 25 VAL CA C 13 62.335 0.078 . 1 . . . . A 21 VAL CA . 34779 1 26 . 1 . 1 25 25 VAL CB C 13 32.009 0.057 . 1 . . . . A 21 VAL CB . 34779 1 27 . 1 . 1 25 25 VAL CG1 C 13 21.057 0.028 . 1 . . . . A 21 VAL CG1 . 34779 1 28 . 1 . 1 25 25 VAL CG2 C 13 21.925 0.064 . 1 . . . . A 21 VAL CG2 . 34779 1 29 . 1 . 1 25 25 VAL N N 15 123.431 0.108 . 1 . . . . A 21 VAL N . 34779 1 30 . 1 . 1 26 26 ILE H H 1 8.920 0.005 . 1 . . . . A 22 ILE H . 34779 1 31 . 1 . 1 26 26 ILE HA H 1 3.736 0.005 . 1 . . . . A 22 ILE HA . 34779 1 32 . 1 . 1 26 26 ILE HB H 1 0.000 0.005 . 1 . . . . A 22 ILE HB . 34779 1 33 . 1 . 1 26 26 ILE HG12 H 1 0.896 0.007 . 2 . . . . A 22 ILE HG12 . 34779 1 34 . 1 . 1 26 26 ILE HG13 H 1 0.639 0.008 . 2 . . . . A 22 ILE HG13 . 34779 1 35 . 1 . 1 26 26 ILE HG21 H 1 0.344 0.002 . 1 . . . . A 22 ILE HG21 . 34779 1 36 . 1 . 1 26 26 ILE HG22 H 1 0.344 0.002 . 1 . . . . A 22 ILE HG22 . 34779 1 37 . 1 . 1 26 26 ILE HG23 H 1 0.344 0.002 . 1 . . . . A 22 ILE HG23 . 34779 1 38 . 1 . 1 26 26 ILE HD11 H 1 0.250 0.030 . 1 . . . . A 22 ILE HD11 . 34779 1 39 . 1 . 1 26 26 ILE HD12 H 1 0.250 0.030 . 1 . . . . A 22 ILE HD12 . 34779 1 40 . 1 . 1 26 26 ILE HD13 H 1 0.250 0.030 . 1 . . . . A 22 ILE HD13 . 34779 1 41 . 1 . 1 26 26 ILE C C 13 174.287 0.000 . 1 . . . . A 22 ILE C . 34779 1 42 . 1 . 1 26 26 ILE CA C 13 59.543 0.072 . 1 . . . . A 22 ILE CA . 34779 1 43 . 1 . 1 26 26 ILE CB C 13 37.298 0.105 . 1 . . . . A 22 ILE CB . 34779 1 44 . 1 . 1 26 26 ILE CG1 C 13 26.675 0.174 . 1 . . . . A 22 ILE CG1 . 34779 1 45 . 1 . 1 26 26 ILE CG2 C 13 20.787 0.073 . 1 . . . . A 22 ILE CG2 . 34779 1 46 . 1 . 1 26 26 ILE CD1 C 13 12.682 0.158 . 1 . . . . A 22 ILE CD1 . 34779 1 47 . 1 . 1 26 26 ILE N N 15 131.240 0.035 . 1 . . . . A 22 ILE N . 34779 1 48 . 1 . 1 27 27 LYS H H 1 7.942 0.004 . 1 . . . . A 23 LYS H . 34779 1 49 . 1 . 1 27 27 LYS HA H 1 4.774 0.004 . 1 . . . . A 23 LYS HA . 34779 1 50 . 1 . 1 27 27 LYS HB2 H 1 1.486 0.005 . 2 . . . . A 23 LYS HB2 . 34779 1 51 . 1 . 1 27 27 LYS HB3 H 1 1.738 0.004 . 2 . . . . A 23 LYS HB3 . 34779 1 52 . 1 . 1 27 27 LYS HG2 H 1 1.150 0.009 . 2 . . . . A 23 LYS HG2 . 34779 1 53 . 1 . 1 27 27 LYS HG3 H 1 1.296 0.016 . 2 . . . . A 23 LYS HG3 . 34779 1 54 . 1 . 1 27 27 LYS HD2 H 1 1.508 0.008 . 2 . . . . A 23 LYS HD2 . 34779 1 55 . 1 . 1 27 27 LYS HD3 H 1 1.508 0.008 . 2 . . . . A 23 LYS HD3 . 34779 1 56 . 1 . 1 27 27 LYS HE2 H 1 2.810 0.003 . 2 . . . . A 23 LYS HE2 . 34779 1 57 . 1 . 1 27 27 LYS HE3 H 1 2.810 0.003 . 2 . . . . A 23 LYS HE3 . 34779 1 58 . 1 . 1 27 27 LYS C C 13 175.555 0.000 . 1 . . . . A 23 LYS C . 34779 1 59 . 1 . 1 27 27 LYS CA C 13 55.149 0.045 . 1 . . . . A 23 LYS CA . 34779 1 60 . 1 . 1 27 27 LYS CB C 13 34.411 0.141 . 1 . . . . A 23 LYS CB . 34779 1 61 . 1 . 1 27 27 LYS CG C 13 24.966 0.480 . 1 . . . . A 23 LYS CG . 34779 1 62 . 1 . 1 27 27 LYS CD C 13 29.230 0.153 . 1 . . . . A 23 LYS CD . 34779 1 63 . 1 . 1 27 27 LYS CE C 13 41.760 0.955 . 1 . . . . A 23 LYS CE . 34779 1 64 . 1 . 1 27 27 LYS N N 15 124.597 0.054 . 1 . . . . A 23 LYS N . 34779 1 65 . 1 . 1 28 28 GLY H H 1 7.968 0.003 . 1 . . . . A 24 GLY H . 34779 1 66 . 1 . 1 28 28 GLY HA2 H 1 4.345 0.004 . 2 . . . . A 24 GLY HA2 . 34779 1 67 . 1 . 1 28 28 GLY HA3 H 1 2.821 0.009 . 2 . . . . A 24 GLY HA3 . 34779 1 68 . 1 . 1 28 28 GLY C C 13 171.699 0.000 . 1 . . . . A 24 GLY C . 34779 1 69 . 1 . 1 28 28 GLY CA C 13 44.204 0.077 . 1 . . . . A 24 GLY CA . 34779 1 70 . 1 . 1 28 28 GLY N N 15 106.842 0.020 . 1 . . . . A 24 GLY N . 34779 1 71 . 1 . 1 29 29 THR H H 1 8.805 0.006 . 1 . . . . A 25 THR H . 34779 1 72 . 1 . 1 29 29 THR HA H 1 5.455 0.007 . 1 . . . . A 25 THR HA . 34779 1 73 . 1 . 1 29 29 THR HB H 1 4.073 0.002 . 1 . . . . A 25 THR HB . 34779 1 74 . 1 . 1 29 29 THR HG21 H 1 1.228 0.004 . 1 . . . . A 25 THR HG21 . 34779 1 75 . 1 . 1 29 29 THR HG22 H 1 1.228 0.004 . 1 . . . . A 25 THR HG22 . 34779 1 76 . 1 . 1 29 29 THR HG23 H 1 1.228 0.004 . 1 . . . . A 25 THR HG23 . 34779 1 77 . 1 . 1 29 29 THR C C 13 173.512 0.000 . 1 . . . . A 25 THR C . 34779 1 78 . 1 . 1 29 29 THR CA C 13 60.259 0.065 . 1 . . . . A 25 THR CA . 34779 1 79 . 1 . 1 29 29 THR CB C 13 71.820 0.199 . 1 . . . . A 25 THR CB . 34779 1 80 . 1 . 1 29 29 THR CG2 C 13 20.463 0.105 . 1 . . . . A 25 THR CG2 . 34779 1 81 . 1 . 1 29 29 THR N N 15 114.928 0.060 . 1 . . . . A 25 THR N . 34779 1 82 . 1 . 1 30 30 GLY H H 1 9.030 0.003 . 1 . . . . A 26 GLY H . 34779 1 83 . 1 . 1 30 30 GLY HA2 H 1 4.368 0.009 . 2 . . . . A 26 GLY HA2 . 34779 1 84 . 1 . 1 30 30 GLY HA3 H 1 4.556 0.006 . 2 . . . . A 26 GLY HA3 . 34779 1 85 . 1 . 1 30 30 GLY C C 13 170.687 0.000 . 1 . . . . A 26 GLY C . 34779 1 86 . 1 . 1 30 30 GLY CA C 13 47.420 0.088 . 1 . . . . A 26 GLY CA . 34779 1 87 . 1 . 1 30 30 GLY N N 15 109.923 0.082 . 1 . . . . A 26 GLY N . 34779 1 88 . 1 . 1 31 31 ILE H H 1 8.315 0.004 . 1 . . . . A 27 ILE H . 34779 1 89 . 1 . 1 31 31 ILE HA H 1 4.896 0.008 . 1 . . . . A 27 ILE HA . 34779 1 90 . 1 . 1 31 31 ILE HB H 1 1.551 0.006 . 1 . . . . A 27 ILE HB . 34779 1 91 . 1 . 1 31 31 ILE HG12 H 1 0.648 0.007 . 2 . . . . A 27 ILE HG12 . 34779 1 92 . 1 . 1 31 31 ILE HG13 H 1 1.400 0.009 . 2 . . . . A 27 ILE HG13 . 34779 1 93 . 1 . 1 31 31 ILE HG21 H 1 0.691 0.004 . 1 . . . . A 27 ILE HG21 . 34779 1 94 . 1 . 1 31 31 ILE HG22 H 1 0.691 0.004 . 1 . . . . A 27 ILE HG22 . 34779 1 95 . 1 . 1 31 31 ILE HG23 H 1 0.691 0.004 . 1 . . . . A 27 ILE HG23 . 34779 1 96 . 1 . 1 31 31 ILE HD11 H 1 0.744 0.006 . 1 . . . . A 27 ILE HD11 . 34779 1 97 . 1 . 1 31 31 ILE HD12 H 1 0.744 0.006 . 1 . . . . A 27 ILE HD12 . 34779 1 98 . 1 . 1 31 31 ILE HD13 H 1 0.744 0.006 . 1 . . . . A 27 ILE HD13 . 34779 1 99 . 1 . 1 31 31 ILE C C 13 176.051 0.000 . 1 . . . . A 27 ILE C . 34779 1 100 . 1 . 1 31 31 ILE CA C 13 58.922 0.085 . 1 . . . . A 27 ILE CA . 34779 1 101 . 1 . 1 31 31 ILE CB C 13 41.712 0.116 . 1 . . . . A 27 ILE CB . 34779 1 102 . 1 . 1 31 31 ILE CG1 C 13 27.473 0.086 . 1 . . . . A 27 ILE CG1 . 34779 1 103 . 1 . 1 31 31 ILE CG2 C 13 16.789 0.069 . 1 . . . . A 27 ILE CG2 . 34779 1 104 . 1 . 1 31 31 ILE CD1 C 13 12.636 0.082 . 1 . . . . A 27 ILE CD1 . 34779 1 105 . 1 . 1 31 31 ILE N N 15 120.327 0.028 . 1 . . . . A 27 ILE N . 34779 1 106 . 1 . 1 32 32 VAL H H 1 8.783 0.003 . 1 . . . . A 28 VAL H . 34779 1 107 . 1 . 1 32 32 VAL HA H 1 3.759 0.015 . 1 . . . . A 28 VAL HA . 34779 1 108 . 1 . 1 32 32 VAL HB H 1 2.212 0.011 . 1 . . . . A 28 VAL HB . 34779 1 109 . 1 . 1 32 32 VAL HG11 H 1 0.731 0.007 . 2 . . . . A 28 VAL HG11 . 34779 1 110 . 1 . 1 32 32 VAL HG12 H 1 0.731 0.007 . 2 . . . . A 28 VAL HG12 . 34779 1 111 . 1 . 1 32 32 VAL HG13 H 1 0.731 0.007 . 2 . . . . A 28 VAL HG13 . 34779 1 112 . 1 . 1 32 32 VAL HG21 H 1 0.914 0.007 . 2 . . . . A 28 VAL HG21 . 34779 1 113 . 1 . 1 32 32 VAL HG22 H 1 0.914 0.007 . 2 . . . . A 28 VAL HG22 . 34779 1 114 . 1 . 1 32 32 VAL HG23 H 1 0.914 0.007 . 2 . . . . A 28 VAL HG23 . 34779 1 115 . 1 . 1 32 32 VAL C C 13 175.572 0.000 . 1 . . . . A 28 VAL C . 34779 1 116 . 1 . 1 32 32 VAL CA C 13 64.201 0.125 . 1 . . . . A 28 VAL CA . 34779 1 117 . 1 . 1 32 32 VAL CB C 13 32.086 0.098 . 1 . . . . A 28 VAL CB . 34779 1 118 . 1 . 1 32 32 VAL CG1 C 13 22.078 0.068 . 2 . . . . A 28 VAL CG1 . 34779 1 119 . 1 . 1 32 32 VAL CG2 C 13 23.627 0.078 . 2 . . . . A 28 VAL CG2 . 34779 1 120 . 1 . 1 32 32 VAL N N 15 126.408 0.010 . 1 . . . . A 28 VAL N . 34779 1 121 . 1 . 1 33 33 LYS H H 1 9.201 0.004 . 1 . . . . A 29 LYS H . 34779 1 122 . 1 . 1 33 33 LYS HA H 1 4.582 0.008 . 1 . . . . A 29 LYS HA . 34779 1 123 . 1 . 1 33 33 LYS HB2 H 1 1.401 0.015 . 2 . . . . A 29 LYS HB2 . 34779 1 124 . 1 . 1 33 33 LYS HB3 H 1 1.804 0.012 . 2 . . . . A 29 LYS HB3 . 34779 1 125 . 1 . 1 33 33 LYS HG2 H 1 1.411 0.005 . 2 . . . . A 29 LYS HG2 . 34779 1 126 . 1 . 1 33 33 LYS HG3 H 1 1.411 0.005 . 2 . . . . A 29 LYS HG3 . 34779 1 127 . 1 . 1 33 33 LYS HD2 H 1 1.645 0.000 . 2 . . . . A 29 LYS HD2 . 34779 1 128 . 1 . 1 33 33 LYS HD3 H 1 1.645 0.000 . 2 . . . . A 29 LYS HD3 . 34779 1 129 . 1 . 1 33 33 LYS HE2 H 1 2.976 0.004 . 2 . . . . A 29 LYS HE2 . 34779 1 130 . 1 . 1 33 33 LYS HE3 H 1 2.976 0.004 . 2 . . . . A 29 LYS HE3 . 34779 1 131 . 1 . 1 33 33 LYS C C 13 175.801 0.000 . 1 . . . . A 29 LYS C . 34779 1 132 . 1 . 1 33 33 LYS CA C 13 54.859 0.100 . 1 . . . . A 29 LYS CA . 34779 1 133 . 1 . 1 33 33 LYS CB C 13 33.168 0.097 . 1 . . . . A 29 LYS CB . 34779 1 134 . 1 . 1 33 33 LYS CG C 13 24.027 0.065 . 1 . . . . A 29 LYS CG . 34779 1 135 . 1 . 1 33 33 LYS CD C 13 28.990 0.068 . 1 . . . . A 29 LYS CD . 34779 1 136 . 1 . 1 33 33 LYS CE C 13 41.938 0.067 . 1 . . . . A 29 LYS CE . 34779 1 137 . 1 . 1 33 33 LYS N N 15 128.917 0.012 . 1 . . . . A 29 LYS N . 34779 1 138 . 1 . 1 34 34 ASP H H 1 7.591 0.004 . 1 . . . . A 30 ASP H . 34779 1 139 . 1 . 1 34 34 ASP HA H 1 4.677 0.017 . 1 . . . . A 30 ASP HA . 34779 1 140 . 1 . 1 34 34 ASP HB2 H 1 2.364 0.002 . 2 . . . . A 30 ASP HB2 . 34779 1 141 . 1 . 1 34 34 ASP HB3 H 1 2.706 0.005 . 2 . . . . A 30 ASP HB3 . 34779 1 142 . 1 . 1 34 34 ASP C C 13 173.450 0.000 . 1 . . . . A 30 ASP C . 34779 1 143 . 1 . 1 34 34 ASP CA C 13 54.630 0.059 . 1 . . . . A 30 ASP CA . 34779 1 144 . 1 . 1 34 34 ASP CB C 13 44.109 0.070 . 1 . . . . A 30 ASP CB . 34779 1 145 . 1 . 1 34 34 ASP N N 15 115.953 0.011 . 1 . . . . A 30 ASP N . 34779 1 146 . 1 . 1 35 35 ILE H H 1 8.574 0.004 . 1 . . . . A 31 ILE H . 34779 1 147 . 1 . 1 35 35 ILE HA H 1 4.230 0.004 . 1 . . . . A 31 ILE HA . 34779 1 148 . 1 . 1 35 35 ILE HB H 1 1.660 0.007 . 1 . . . . A 31 ILE HB . 34779 1 149 . 1 . 1 35 35 ILE HG12 H 1 1.302 0.006 . 2 . . . . A 31 ILE HG12 . 34779 1 150 . 1 . 1 35 35 ILE HG13 H 1 0.755 0.010 . 2 . . . . A 31 ILE HG13 . 34779 1 151 . 1 . 1 35 35 ILE HG21 H 1 0.799 0.005 . 1 . . . . A 31 ILE HG21 . 34779 1 152 . 1 . 1 35 35 ILE HG22 H 1 0.799 0.005 . 1 . . . . A 31 ILE HG22 . 34779 1 153 . 1 . 1 35 35 ILE HG23 H 1 0.799 0.005 . 1 . . . . A 31 ILE HG23 . 34779 1 154 . 1 . 1 35 35 ILE HD11 H 1 0.704 0.003 . 1 . . . . A 31 ILE HD11 . 34779 1 155 . 1 . 1 35 35 ILE HD12 H 1 0.704 0.003 . 1 . . . . A 31 ILE HD12 . 34779 1 156 . 1 . 1 35 35 ILE HD13 H 1 0.704 0.003 . 1 . . . . A 31 ILE HD13 . 34779 1 157 . 1 . 1 35 35 ILE C C 13 173.310 0.000 . 1 . . . . A 31 ILE C . 34779 1 158 . 1 . 1 35 35 ILE CA C 13 62.113 0.094 . 1 . . . . A 31 ILE CA . 34779 1 159 . 1 . 1 35 35 ILE CB C 13 41.468 0.090 . 1 . . . . A 31 ILE CB . 34779 1 160 . 1 . 1 35 35 ILE CG1 C 13 28.495 0.084 . 1 . . . . A 31 ILE CG1 . 34779 1 161 . 1 . 1 35 35 ILE CG2 C 13 17.779 0.086 . 1 . . . . A 31 ILE CG2 . 34779 1 162 . 1 . 1 35 35 ILE CD1 C 13 15.433 0.060 . 1 . . . . A 31 ILE CD1 . 34779 1 163 . 1 . 1 35 35 ILE N N 15 124.145 0.006 . 1 . . . . A 31 ILE N . 34779 1 164 . 1 . 1 36 36 ASP H H 1 8.638 0.003 . 1 . . . . A 32 ASP H . 34779 1 165 . 1 . 1 36 36 ASP HA H 1 5.025 0.010 . 1 . . . . A 32 ASP HA . 34779 1 166 . 1 . 1 36 36 ASP HB2 H 1 2.546 0.013 . 2 . . . . A 32 ASP HB2 . 34779 1 167 . 1 . 1 36 36 ASP HB3 H 1 2.995 0.006 . 2 . . . . A 32 ASP HB3 . 34779 1 168 . 1 . 1 36 36 ASP C C 13 176.750 0.000 . 1 . . . . A 32 ASP C . 34779 1 169 . 1 . 1 36 36 ASP CA C 13 51.932 0.047 . 1 . . . . A 32 ASP CA . 34779 1 170 . 1 . 1 36 36 ASP CB C 13 41.611 0.063 . 1 . . . . A 32 ASP CB . 34779 1 171 . 1 . 1 36 36 ASP N N 15 126.766 0.016 . 1 . . . . A 32 ASP N . 34779 1 172 . 1 . 1 37 37 MET H H 1 9.160 0.004 . 1 . . . . A 33 MET H . 34779 1 173 . 1 . 1 37 37 MET HA H 1 4.506 0.003 . 1 . . . . A 33 MET HA . 34779 1 174 . 1 . 1 37 37 MET HB2 H 1 2.136 0.008 . 2 . . . . A 33 MET HB2 . 34779 1 175 . 1 . 1 37 37 MET HB3 H 1 2.099 0.002 . 2 . . . . A 33 MET HB3 . 34779 1 176 . 1 . 1 37 37 MET HG2 H 1 2.840 0.000 . 2 . . . . A 33 MET HG2 . 34779 1 177 . 1 . 1 37 37 MET HG3 H 1 2.612 0.005 . 2 . . . . A 33 MET HG3 . 34779 1 178 . 1 . 1 37 37 MET HE1 H 1 2.062 0.000 . 1 . . . . A 33 MET HE1 . 34779 1 179 . 1 . 1 37 37 MET HE2 H 1 2.062 0.000 . 1 . . . . A 33 MET HE2 . 34779 1 180 . 1 . 1 37 37 MET HE3 H 1 2.062 0.000 . 1 . . . . A 33 MET HE3 . 34779 1 181 . 1 . 1 37 37 MET C C 13 177.948 0.000 . 1 . . . . A 33 MET C . 34779 1 182 . 1 . 1 37 37 MET CA C 13 56.006 0.148 . 1 . . . . A 33 MET CA . 34779 1 183 . 1 . 1 37 37 MET CB C 13 30.908 0.062 . 1 . . . . A 33 MET CB . 34779 1 184 . 1 . 1 37 37 MET CG C 13 32.389 0.020 . 1 . . . . A 33 MET CG . 34779 1 185 . 1 . 1 37 37 MET CE C 13 16.876 0.000 . 1 . . . . A 33 MET CE . 34779 1 186 . 1 . 1 37 37 MET N N 15 122.635 0.010 . 1 . . . . A 33 MET N . 34779 1 187 . 1 . 1 38 38 ASN H H 1 8.589 0.003 . 1 . . . . A 34 ASN H . 34779 1 188 . 1 . 1 38 38 ASN HA H 1 4.567 0.002 . 1 . . . . A 34 ASN HA . 34779 1 189 . 1 . 1 38 38 ASN HB2 H 1 2.959 0.002 . 2 . . . . A 34 ASN HB2 . 34779 1 190 . 1 . 1 38 38 ASN HB3 H 1 2.865 0.005 . 2 . . . . A 34 ASN HB3 . 34779 1 191 . 1 . 1 38 38 ASN HD21 H 1 7.044 0.000 . 1 . . . . A 34 ASN HD21 . 34779 1 192 . 1 . 1 38 38 ASN HD22 H 1 7.870 0.000 . 1 . . . . A 34 ASN HD22 . 34779 1 193 . 1 . 1 38 38 ASN C C 13 176.688 0.000 . 1 . . . . A 34 ASN C . 34779 1 194 . 1 . 1 38 38 ASN CA C 13 55.986 0.057 . 1 . . . . A 34 ASN CA . 34779 1 195 . 1 . 1 38 38 ASN CB C 13 38.614 0.051 . 1 . . . . A 34 ASN CB . 34779 1 196 . 1 . 1 38 38 ASN N N 15 117.768 0.009 . 1 . . . . A 34 ASN N . 34779 1 197 . 1 . 1 38 38 ASN ND2 N 15 114.526 0.000 . 1 . . . . A 34 ASN ND2 . 34779 1 198 . 1 . 1 39 39 SER H H 1 7.913 0.003 . 1 . . . . A 35 SER H . 34779 1 199 . 1 . 1 39 39 SER HA H 1 4.327 0.002 . 1 . . . . A 35 SER HA . 34779 1 200 . 1 . 1 39 39 SER HB2 H 1 3.633 0.004 . 2 . . . . A 35 SER HB2 . 34779 1 201 . 1 . 1 39 39 SER HB3 H 1 3.732 0.006 . 2 . . . . A 35 SER HB3 . 34779 1 202 . 1 . 1 39 39 SER C C 13 173.156 0.000 . 1 . . . . A 35 SER C . 34779 1 203 . 1 . 1 39 39 SER CA C 13 58.254 0.050 . 1 . . . . A 35 SER CA . 34779 1 204 . 1 . 1 39 39 SER CB C 13 63.366 0.063 . 1 . . . . A 35 SER CB . 34779 1 205 . 1 . 1 39 39 SER N N 15 113.414 0.009 . 1 . . . . A 35 SER N . 34779 1 206 . 1 . 1 40 40 LYS H H 1 7.393 0.003 . 1 . . . . A 36 LYS H . 34779 1 207 . 1 . 1 40 40 LYS HA H 1 3.126 0.005 . 1 . . . . A 36 LYS HA . 34779 1 208 . 1 . 1 40 40 LYS HB2 H 1 0.553 0.002 . 2 . . . . A 36 LYS HB2 . 34779 1 209 . 1 . 1 40 40 LYS HB3 H 1 1.731 0.004 . 2 . . . . A 36 LYS HB3 . 34779 1 210 . 1 . 1 40 40 LYS HG2 H 1 1.037 0.009 . 2 . . . . A 36 LYS HG2 . 34779 1 211 . 1 . 1 40 40 LYS HG3 H 1 0.768 0.009 . 2 . . . . A 36 LYS HG3 . 34779 1 212 . 1 . 1 40 40 LYS HD2 H 1 1.399 0.012 . 2 . . . . A 36 LYS HD2 . 34779 1 213 . 1 . 1 40 40 LYS HD3 H 1 1.674 0.000 . 2 . . . . A 36 LYS HD3 . 34779 1 214 . 1 . 1 40 40 LYS HE2 H 1 2.975 0.008 . 2 . . . . A 36 LYS HE2 . 34779 1 215 . 1 . 1 40 40 LYS HE3 H 1 2.975 0.008 . 2 . . . . A 36 LYS HE3 . 34779 1 216 . 1 . 1 40 40 LYS C C 13 173.769 0.000 . 1 . . . . A 36 LYS C . 34779 1 217 . 1 . 1 40 40 LYS CA C 13 57.519 0.109 . 1 . . . . A 36 LYS CA . 34779 1 218 . 1 . 1 40 40 LYS CB C 13 27.713 0.068 . 1 . . . . A 36 LYS CB . 34779 1 219 . 1 . 1 40 40 LYS CG C 13 25.100 0.087 . 1 . . . . A 36 LYS CG . 34779 1 220 . 1 . 1 40 40 LYS CD C 13 29.366 0.072 . 1 . . . . A 36 LYS CD . 34779 1 221 . 1 . 1 40 40 LYS CE C 13 42.611 0.114 . 1 . . . . A 36 LYS CE . 34779 1 222 . 1 . 1 40 40 LYS N N 15 118.152 0.022 . 1 . . . . A 36 LYS N . 34779 1 223 . 1 . 1 41 41 LYS H H 1 7.760 0.003 . 1 . . . . A 37 LYS H . 34779 1 224 . 1 . 1 41 41 LYS HA H 1 5.475 0.008 . 1 . . . . A 37 LYS HA . 34779 1 225 . 1 . 1 41 41 LYS HB2 H 1 1.569 0.004 . 2 . . . . A 37 LYS HB2 . 34779 1 226 . 1 . 1 41 41 LYS HB3 H 1 1.309 0.010 . 2 . . . . A 37 LYS HB3 . 34779 1 227 . 1 . 1 41 41 LYS HG2 H 1 1.158 0.007 . 2 . . . . A 37 LYS HG2 . 34779 1 228 . 1 . 1 41 41 LYS HG3 H 1 1.272 0.006 . 2 . . . . A 37 LYS HG3 . 34779 1 229 . 1 . 1 41 41 LYS HD2 H 1 1.400 0.092 . 2 . . . . A 37 LYS HD2 . 34779 1 230 . 1 . 1 41 41 LYS HD3 H 1 1.504 0.008 . 2 . . . . A 37 LYS HD3 . 34779 1 231 . 1 . 1 41 41 LYS HE2 H 1 2.808 0.003 . 2 . . . . A 37 LYS HE2 . 34779 1 232 . 1 . 1 41 41 LYS HE3 H 1 2.808 0.003 . 2 . . . . A 37 LYS HE3 . 34779 1 233 . 1 . 1 41 41 LYS C C 13 176.542 0.000 . 1 . . . . A 37 LYS C . 34779 1 234 . 1 . 1 41 41 LYS CA C 13 53.433 0.091 . 1 . . . . A 37 LYS CA . 34779 1 235 . 1 . 1 41 41 LYS CB C 13 37.199 0.093 . 1 . . . . A 37 LYS CB . 34779 1 236 . 1 . 1 41 41 LYS CG C 13 24.578 0.094 . 1 . . . . A 37 LYS CG . 34779 1 237 . 1 . 1 41 41 LYS CD C 13 29.183 0.081 . 1 . . . . A 37 LYS CD . 34779 1 238 . 1 . 1 41 41 LYS CE C 13 42.207 0.188 . 1 . . . . A 37 LYS CE . 34779 1 239 . 1 . 1 41 41 LYS N N 15 113.860 0.079 . 1 . . . . A 37 LYS N . 34779 1 240 . 1 . 1 42 42 ILE H H 1 9.640 0.004 . 1 . . . . A 38 ILE H . 34779 1 241 . 1 . 1 42 42 ILE HA H 1 4.724 0.016 . 1 . . . . A 38 ILE HA . 34779 1 242 . 1 . 1 42 42 ILE HB H 1 1.678 0.019 . 1 . . . . A 38 ILE HB . 34779 1 243 . 1 . 1 42 42 ILE HG12 H 1 1.096 0.014 . 2 . . . . A 38 ILE HG12 . 34779 1 244 . 1 . 1 42 42 ILE HG13 H 1 1.675 0.019 . 2 . . . . A 38 ILE HG13 . 34779 1 245 . 1 . 1 42 42 ILE HG21 H 1 0.841 0.014 . 1 . . . . A 38 ILE HG21 . 34779 1 246 . 1 . 1 42 42 ILE HG22 H 1 0.841 0.014 . 1 . . . . A 38 ILE HG22 . 34779 1 247 . 1 . 1 42 42 ILE HG23 H 1 0.841 0.014 . 1 . . . . A 38 ILE HG23 . 34779 1 248 . 1 . 1 42 42 ILE HD11 H 1 0.617 0.012 . 1 . . . . A 38 ILE HD11 . 34779 1 249 . 1 . 1 42 42 ILE HD12 H 1 0.617 0.012 . 1 . . . . A 38 ILE HD12 . 34779 1 250 . 1 . 1 42 42 ILE HD13 H 1 0.617 0.012 . 1 . . . . A 38 ILE HD13 . 34779 1 251 . 1 . 1 42 42 ILE C C 13 175.301 0.000 . 1 . . . . A 38 ILE C . 34779 1 252 . 1 . 1 42 42 ILE CA C 13 59.550 0.120 . 1 . . . . A 38 ILE CA . 34779 1 253 . 1 . 1 42 42 ILE CB C 13 41.088 0.175 . 1 . . . . A 38 ILE CB . 34779 1 254 . 1 . 1 42 42 ILE CG1 C 13 27.780 0.112 . 1 . . . . A 38 ILE CG1 . 34779 1 255 . 1 . 1 42 42 ILE CG2 C 13 17.449 0.057 . 1 . . . . A 38 ILE CG2 . 34779 1 256 . 1 . 1 42 42 ILE CD1 C 13 13.834 0.105 . 1 . . . . A 38 ILE CD1 . 34779 1 257 . 1 . 1 42 42 ILE N N 15 124.323 0.015 . 1 . . . . A 38 ILE N . 34779 1 258 . 1 . 1 43 43 THR H H 1 9.216 0.004 . 1 . . . . A 39 THR H . 34779 1 259 . 1 . 1 43 43 THR HA H 1 5.004 0.007 . 1 . . . . A 39 THR HA . 34779 1 260 . 1 . 1 43 43 THR HB H 1 3.937 0.002 . 1 . . . . A 39 THR HB . 34779 1 261 . 1 . 1 43 43 THR HG21 H 1 0.945 0.004 . 1 . . . . A 39 THR HG21 . 34779 1 262 . 1 . 1 43 43 THR HG22 H 1 0.945 0.004 . 1 . . . . A 39 THR HG22 . 34779 1 263 . 1 . 1 43 43 THR HG23 H 1 0.945 0.004 . 1 . . . . A 39 THR HG23 . 34779 1 264 . 1 . 1 43 43 THR C C 13 174.103 0.000 . 1 . . . . A 39 THR C . 34779 1 265 . 1 . 1 43 43 THR CA C 13 62.649 0.045 . 1 . . . . A 39 THR CA . 34779 1 266 . 1 . 1 43 43 THR CB C 13 68.347 0.054 . 1 . . . . A 39 THR CB . 34779 1 267 . 1 . 1 43 43 THR CG2 C 13 21.849 0.082 . 1 . . . . A 39 THR CG2 . 34779 1 268 . 1 . 1 43 43 THR N N 15 126.613 0.008 . 1 . . . . A 39 THR N . 34779 1 269 . 1 . 1 44 44 ILE H H 1 9.340 0.004 . 1 . . . . A 40 ILE H . 34779 1 270 . 1 . 1 44 44 ILE HA H 1 4.716 0.014 . 1 . . . . A 40 ILE HA . 34779 1 271 . 1 . 1 44 44 ILE HB H 1 1.580 0.035 . 1 . . . . A 40 ILE HB . 34779 1 272 . 1 . 1 44 44 ILE HG12 H 1 0.358 0.027 . 2 . . . . A 40 ILE HG12 . 34779 1 273 . 1 . 1 44 44 ILE HG13 H 1 1.515 0.010 . 2 . . . . A 40 ILE HG13 . 34779 1 274 . 1 . 1 44 44 ILE HG21 H 1 0.437 0.015 . 1 . . . . A 40 ILE HG21 . 34779 1 275 . 1 . 1 44 44 ILE HG22 H 1 0.437 0.015 . 1 . . . . A 40 ILE HG22 . 34779 1 276 . 1 . 1 44 44 ILE HG23 H 1 0.437 0.015 . 1 . . . . A 40 ILE HG23 . 34779 1 277 . 1 . 1 44 44 ILE HD11 H 1 -0.456 0.025 . 1 . . . . A 40 ILE HD11 . 34779 1 278 . 1 . 1 44 44 ILE HD12 H 1 -0.456 0.025 . 1 . . . . A 40 ILE HD12 . 34779 1 279 . 1 . 1 44 44 ILE HD13 H 1 -0.456 0.025 . 1 . . . . A 40 ILE HD13 . 34779 1 280 . 1 . 1 44 44 ILE C C 13 175.096 0.000 . 1 . . . . A 40 ILE C . 34779 1 281 . 1 . 1 44 44 ILE CA C 13 60.110 0.083 . 1 . . . . A 40 ILE CA . 34779 1 282 . 1 . 1 44 44 ILE CB C 13 42.013 0.111 . 1 . . . . A 40 ILE CB . 34779 1 283 . 1 . 1 44 44 ILE CG1 C 13 28.531 0.107 . 1 . . . . A 40 ILE CG1 . 34779 1 284 . 1 . 1 44 44 ILE CG2 C 13 16.720 0.135 . 1 . . . . A 40 ILE CG2 . 34779 1 285 . 1 . 1 44 44 ILE CD1 C 13 11.251 0.138 . 1 . . . . A 40 ILE CD1 . 34779 1 286 . 1 . 1 44 44 ILE N N 15 128.646 0.008 . 1 . . . . A 40 ILE N . 34779 1 287 . 1 . 1 45 45 SER H H 1 8.856 0.003 . 1 . . . . A 41 SER H . 34779 1 288 . 1 . 1 45 45 SER HA H 1 5.097 0.006 . 1 . . . . A 41 SER HA . 34779 1 289 . 1 . 1 45 45 SER HB2 H 1 3.633 0.005 . 2 . . . . A 41 SER HB2 . 34779 1 290 . 1 . 1 45 45 SER HB3 H 1 3.915 0.005 . 2 . . . . A 41 SER HB3 . 34779 1 291 . 1 . 1 45 45 SER C C 13 174.097 0.000 . 1 . . . . A 41 SER C . 34779 1 292 . 1 . 1 45 45 SER CA C 13 56.839 0.086 . 1 . . . . A 41 SER CA . 34779 1 293 . 1 . 1 45 45 SER CB C 13 62.602 0.102 . 1 . . . . A 41 SER CB . 34779 1 294 . 1 . 1 45 45 SER N N 15 123.545 0.016 . 1 . . . . A 41 SER N . 34779 1 295 . 1 . 1 46 46 HIS H H 1 9.116 0.004 . 1 . . . . A 42 HIS H . 34779 1 296 . 1 . 1 46 46 HIS HA H 1 5.912 0.004 . 1 . . . . A 42 HIS HA . 34779 1 297 . 1 . 1 46 46 HIS HB2 H 1 3.844 0.005 . 2 . . . . A 42 HIS HB2 . 34779 1 298 . 1 . 1 46 46 HIS HB3 H 1 2.999 0.005 . 2 . . . . A 42 HIS HB3 . 34779 1 299 . 1 . 1 46 46 HIS HD2 H 1 7.074 0.004 . 1 . . . . A 42 HIS HD2 . 34779 1 300 . 1 . 1 46 46 HIS HE1 H 1 8.068 0.003 . 1 . . . . A 42 HIS HE1 . 34779 1 301 . 1 . 1 46 46 HIS C C 13 173.966 0.000 . 1 . . . . A 42 HIS C . 34779 1 302 . 1 . 1 46 46 HIS CA C 13 53.761 0.084 . 1 . . . . A 42 HIS CA . 34779 1 303 . 1 . 1 46 46 HIS CB C 13 33.725 0.106 . 1 . . . . A 42 HIS CB . 34779 1 304 . 1 . 1 46 46 HIS CD2 C 13 119.994 0.000 . 1 . . . . A 42 HIS CD2 . 34779 1 305 . 1 . 1 46 46 HIS CE1 C 13 139.804 0.000 . 1 . . . . A 42 HIS CE1 . 34779 1 306 . 1 . 1 46 46 HIS N N 15 127.609 0.013 . 1 . . . . A 42 HIS N . 34779 1 307 . 1 . 1 47 47 GLU H H 1 8.314 0.003 . 1 . . . . A 43 GLU H . 34779 1 308 . 1 . 1 47 47 GLU HA H 1 4.531 0.005 . 1 . . . . A 43 GLU HA . 34779 1 309 . 1 . 1 47 47 GLU HB2 H 1 2.171 0.010 . 2 . . . . A 43 GLU HB2 . 34779 1 310 . 1 . 1 47 47 GLU HB3 H 1 2.410 0.004 . 2 . . . . A 43 GLU HB3 . 34779 1 311 . 1 . 1 47 47 GLU HG2 H 1 2.409 0.003 . 2 . . . . A 43 GLU HG2 . 34779 1 312 . 1 . 1 47 47 GLU HG3 H 1 2.506 0.003 . 2 . . . . A 43 GLU HG3 . 34779 1 313 . 1 . 1 47 47 GLU C C 13 177.576 0.000 . 1 . . . . A 43 GLU C . 34779 1 314 . 1 . 1 47 47 GLU CA C 13 55.809 0.082 . 1 . . . . A 43 GLU CA . 34779 1 315 . 1 . 1 47 47 GLU CB C 13 30.284 0.114 . 1 . . . . A 43 GLU CB . 34779 1 316 . 1 . 1 47 47 GLU CG C 13 36.916 0.059 . 1 . . . . A 43 GLU CG . 34779 1 317 . 1 . 1 47 47 GLU N N 15 119.298 0.066 . 1 . . . . A 43 GLU N . 34779 1 318 . 1 . 1 48 48 ALA H H 1 9.247 0.005 . 1 . . . . A 44 ALA H . 34779 1 319 . 1 . 1 48 48 ALA HA H 1 4.110 0.005 . 1 . . . . A 44 ALA HA . 34779 1 320 . 1 . 1 48 48 ALA HB1 H 1 1.561 0.005 . 1 . . . . A 44 ALA HB1 . 34779 1 321 . 1 . 1 48 48 ALA HB2 H 1 1.561 0.005 . 1 . . . . A 44 ALA HB2 . 34779 1 322 . 1 . 1 48 48 ALA HB3 H 1 1.561 0.005 . 1 . . . . A 44 ALA HB3 . 34779 1 323 . 1 . 1 48 48 ALA C C 13 177.590 0.000 . 1 . . . . A 44 ALA C . 34779 1 324 . 1 . 1 48 48 ALA CA C 13 54.181 0.085 . 1 . . . . A 44 ALA CA . 34779 1 325 . 1 . 1 48 48 ALA CB C 13 18.721 0.046 . 1 . . . . A 44 ALA CB . 34779 1 326 . 1 . 1 48 48 ALA N N 15 125.024 0.063 . 1 . . . . A 44 ALA N . 34779 1 327 . 1 . 1 49 49 ILE H H 1 8.554 0.004 . 1 . . . . A 45 ILE H . 34779 1 328 . 1 . 1 49 49 ILE HA H 1 4.743 0.008 . 1 . . . . A 45 ILE HA . 34779 1 329 . 1 . 1 49 49 ILE HB H 1 1.927 0.015 . 1 . . . . A 45 ILE HB . 34779 1 330 . 1 . 1 49 49 ILE HG12 H 1 2.130 0.009 . 2 . . . . A 45 ILE HG12 . 34779 1 331 . 1 . 1 49 49 ILE HG13 H 1 1.215 0.003 . 2 . . . . A 45 ILE HG13 . 34779 1 332 . 1 . 1 49 49 ILE HG21 H 1 0.840 0.031 . 1 . . . . A 45 ILE HG21 . 34779 1 333 . 1 . 1 49 49 ILE HG22 H 1 0.840 0.031 . 1 . . . . A 45 ILE HG22 . 34779 1 334 . 1 . 1 49 49 ILE HG23 H 1 0.840 0.031 . 1 . . . . A 45 ILE HG23 . 34779 1 335 . 1 . 1 49 49 ILE HD11 H 1 0.735 0.003 . 1 . . . . A 45 ILE HD11 . 34779 1 336 . 1 . 1 49 49 ILE HD12 H 1 0.735 0.003 . 1 . . . . A 45 ILE HD12 . 34779 1 337 . 1 . 1 49 49 ILE HD13 H 1 0.735 0.003 . 1 . . . . A 45 ILE HD13 . 34779 1 338 . 1 . 1 49 49 ILE CA C 13 59.101 0.082 . 1 . . . . A 45 ILE CA . 34779 1 339 . 1 . 1 49 49 ILE CB C 13 39.209 0.117 . 1 . . . . A 45 ILE CB . 34779 1 340 . 1 . 1 49 49 ILE CG1 C 13 26.788 0.058 . 1 . . . . A 45 ILE CG1 . 34779 1 341 . 1 . 1 49 49 ILE CG2 C 13 19.580 0.177 . 1 . . . . A 45 ILE CG2 . 34779 1 342 . 1 . 1 49 49 ILE CD1 C 13 13.110 0.110 . 1 . . . . A 45 ILE CD1 . 34779 1 343 . 1 . 1 49 49 ILE N N 15 119.577 0.033 . 1 . . . . A 45 ILE N . 34779 1 344 . 1 . 1 50 50 PRO HA H 1 4.400 0.008 . 1 . . . . A 46 PRO HA . 34779 1 345 . 1 . 1 50 50 PRO HB2 H 1 1.990 0.003 . 2 . . . . A 46 PRO HB2 . 34779 1 346 . 1 . 1 50 50 PRO HB3 H 1 2.397 0.005 . 2 . . . . A 46 PRO HB3 . 34779 1 347 . 1 . 1 50 50 PRO HG2 H 1 2.105 0.008 . 2 . . . . A 46 PRO HG2 . 34779 1 348 . 1 . 1 50 50 PRO HG3 H 1 2.005 0.012 . 2 . . . . A 46 PRO HG3 . 34779 1 349 . 1 . 1 50 50 PRO HD2 H 1 3.536 0.004 . 2 . . . . A 46 PRO HD2 . 34779 1 350 . 1 . 1 50 50 PRO HD3 H 1 3.990 0.005 . 2 . . . . A 46 PRO HD3 . 34779 1 351 . 1 . 1 50 50 PRO C C 13 179.486 0.000 . 1 . . . . A 46 PRO C . 34779 1 352 . 1 . 1 50 50 PRO CA C 13 65.029 0.077 . 1 . . . . A 46 PRO CA . 34779 1 353 . 1 . 1 50 50 PRO CB C 13 31.819 0.109 . 1 . . . . A 46 PRO CB . 34779 1 354 . 1 . 1 50 50 PRO CG C 13 27.159 0.091 . 1 . . . . A 46 PRO CG . 34779 1 355 . 1 . 1 50 50 PRO CD C 13 51.226 0.094 . 1 . . . . A 46 PRO CD . 34779 1 356 . 1 . 1 51 51 ALA H H 1 8.758 0.005 . 1 . . . . A 47 ALA H . 34779 1 357 . 1 . 1 51 51 ALA HA H 1 4.071 0.025 . 1 . . . . A 47 ALA HA . 34779 1 358 . 1 . 1 51 51 ALA HB1 H 1 1.336 0.005 . 1 . . . . A 47 ALA HB1 . 34779 1 359 . 1 . 1 51 51 ALA HB2 H 1 1.336 0.005 . 1 . . . . A 47 ALA HB2 . 34779 1 360 . 1 . 1 51 51 ALA HB3 H 1 1.336 0.005 . 1 . . . . A 47 ALA HB3 . 34779 1 361 . 1 . 1 51 51 ALA C C 13 178.722 0.000 . 1 . . . . A 47 ALA C . 34779 1 362 . 1 . 1 51 51 ALA CA C 13 55.281 0.040 . 1 . . . . A 47 ALA CA . 34779 1 363 . 1 . 1 51 51 ALA CB C 13 19.273 0.060 . 1 . . . . A 47 ALA CB . 34779 1 364 . 1 . 1 51 51 ALA N N 15 119.345 0.035 . 1 . . . . A 47 ALA N . 34779 1 365 . 1 . 1 52 52 VAL H H 1 6.743 0.003 . 1 . . . . A 48 VAL H . 34779 1 366 . 1 . 1 52 52 VAL HA H 1 4.494 0.010 . 1 . . . . A 48 VAL HA . 34779 1 367 . 1 . 1 52 52 VAL HB H 1 1.982 0.008 . 1 . . . . A 48 VAL HB . 34779 1 368 . 1 . 1 52 52 VAL HG11 H 1 0.462 0.007 . 2 . . . . A 48 VAL HG11 . 34779 1 369 . 1 . 1 52 52 VAL HG12 H 1 0.462 0.007 . 2 . . . . A 48 VAL HG12 . 34779 1 370 . 1 . 1 52 52 VAL HG13 H 1 0.462 0.007 . 2 . . . . A 48 VAL HG13 . 34779 1 371 . 1 . 1 52 52 VAL HG21 H 1 -0.221 0.007 . 2 . . . . A 48 VAL HG21 . 34779 1 372 . 1 . 1 52 52 VAL HG22 H 1 -0.221 0.007 . 2 . . . . A 48 VAL HG22 . 34779 1 373 . 1 . 1 52 52 VAL HG23 H 1 -0.221 0.007 . 2 . . . . A 48 VAL HG23 . 34779 1 374 . 1 . 1 52 52 VAL C C 13 175.588 0.000 . 1 . . . . A 48 VAL C . 34779 1 375 . 1 . 1 52 52 VAL CA C 13 59.355 0.076 . 1 . . . . A 48 VAL CA . 34779 1 376 . 1 . 1 52 52 VAL CB C 13 32.312 0.103 . 1 . . . . A 48 VAL CB . 34779 1 377 . 1 . 1 52 52 VAL CG1 C 13 21.762 0.072 . 2 . . . . A 48 VAL CG1 . 34779 1 378 . 1 . 1 52 52 VAL CG2 C 13 17.041 0.024 . 2 . . . . A 48 VAL CG2 . 34779 1 379 . 1 . 1 52 52 VAL N N 15 103.858 0.040 . 1 . . . . A 48 VAL N . 34779 1 380 . 1 . 1 53 53 GLY H H 1 7.700 0.003 . 1 . . . . A 49 GLY H . 34779 1 381 . 1 . 1 53 53 GLY HA2 H 1 3.888 0.015 . 2 . . . . A 49 GLY HA2 . 34779 1 382 . 1 . 1 53 53 GLY HA3 H 1 4.079 0.025 . 2 . . . . A 49 GLY HA3 . 34779 1 383 . 1 . 1 53 53 GLY C C 13 175.329 0.000 . 1 . . . . A 49 GLY C . 34779 1 384 . 1 . 1 53 53 GLY CA C 13 46.523 0.145 . 1 . . . . A 49 GLY CA . 34779 1 385 . 1 . 1 53 53 GLY N N 15 109.789 0.025 . 1 . . . . A 49 GLY N . 34779 1 386 . 1 . 1 54 54 TRP H H 1 7.655 0.004 . 1 . . . . A 50 TRP H . 34779 1 387 . 1 . 1 54 54 TRP HA H 1 5.556 0.045 . 1 . . . . A 50 TRP HA . 34779 1 388 . 1 . 1 54 54 TRP HB2 H 1 3.194 0.016 . 2 . . . . A 50 TRP HB2 . 34779 1 389 . 1 . 1 54 54 TRP HB3 H 1 3.599 0.014 . 2 . . . . A 50 TRP HB3 . 34779 1 390 . 1 . 1 54 54 TRP HD1 H 1 6.981 0.008 . 1 . . . . A 50 TRP HD1 . 34779 1 391 . 1 . 1 54 54 TRP HE1 H 1 10.005 0.003 . 1 . . . . A 50 TRP HE1 . 34779 1 392 . 1 . 1 54 54 TRP HE3 H 1 7.451 0.000 . 1 . . . . A 50 TRP HE3 . 34779 1 393 . 1 . 1 54 54 TRP HZ2 H 1 7.378 0.004 . 1 . . . . A 50 TRP HZ2 . 34779 1 394 . 1 . 1 54 54 TRP HZ3 H 1 6.753 0.000 . 1 . . . . A 50 TRP HZ3 . 34779 1 395 . 1 . 1 54 54 TRP HH2 H 1 7.141 0.000 . 1 . . . . A 50 TRP HH2 . 34779 1 396 . 1 . 1 54 54 TRP CA C 13 52.515 0.368 . 1 . . . . A 50 TRP CA . 34779 1 397 . 1 . 1 54 54 TRP CB C 13 30.344 0.315 . 1 . . . . A 50 TRP CB . 34779 1 398 . 1 . 1 54 54 TRP CD1 C 13 124.094 0.000 . 1 . . . . A 50 TRP CD1 . 34779 1 399 . 1 . 1 54 54 TRP CE3 C 13 121.121 0.000 . 1 . . . . A 50 TRP CE3 . 34779 1 400 . 1 . 1 54 54 TRP CZ2 C 13 113.503 0.000 . 1 . . . . A 50 TRP CZ2 . 34779 1 401 . 1 . 1 54 54 TRP CZ3 C 13 122.341 0.000 . 1 . . . . A 50 TRP CZ3 . 34779 1 402 . 1 . 1 54 54 TRP CH2 C 13 125.293 0.000 . 1 . . . . A 50 TRP CH2 . 34779 1 403 . 1 . 1 54 54 TRP N N 15 120.514 0.061 . 1 . . . . A 50 TRP N . 34779 1 404 . 1 . 1 54 54 TRP NE1 N 15 126.778 0.024 . 1 . . . . A 50 TRP NE1 . 34779 1 405 . 1 . 1 55 55 PRO HA H 1 4.789 0.009 . 1 . . . . A 51 PRO HA . 34779 1 406 . 1 . 1 55 55 PRO HB2 H 1 2.269 0.005 . 2 . . . . A 51 PRO HB2 . 34779 1 407 . 1 . 1 55 55 PRO HB3 H 1 2.140 0.002 . 2 . . . . A 51 PRO HB3 . 34779 1 408 . 1 . 1 55 55 PRO HG2 H 1 2.100 0.010 . 2 . . . . A 51 PRO HG2 . 34779 1 409 . 1 . 1 55 55 PRO HG3 H 1 1.758 0.004 . 2 . . . . A 51 PRO HG3 . 34779 1 410 . 1 . 1 55 55 PRO HD2 H 1 3.770 0.000 . 2 . . . . A 51 PRO HD2 . 34779 1 411 . 1 . 1 55 55 PRO HD3 H 1 3.994 0.003 . 2 . . . . A 51 PRO HD3 . 34779 1 412 . 1 . 1 55 55 PRO C C 13 175.950 0.000 . 1 . . . . A 51 PRO C . 34779 1 413 . 1 . 1 55 55 PRO CA C 13 61.872 0.136 . 1 . . . . A 51 PRO CA . 34779 1 414 . 1 . 1 55 55 PRO CB C 13 32.403 0.088 . 1 . . . . A 51 PRO CB . 34779 1 415 . 1 . 1 55 55 PRO CG C 13 26.380 0.140 . 1 . . . . A 51 PRO CG . 34779 1 416 . 1 . 1 55 55 PRO CD C 13 50.328 0.118 . 1 . . . . A 51 PRO CD . 34779 1 417 . 1 . 1 56 56 ALA H H 1 8.313 0.004 . 1 . . . . A 52 ALA H . 34779 1 418 . 1 . 1 56 56 ALA HA H 1 4.096 0.010 . 1 . . . . A 52 ALA HA . 34779 1 419 . 1 . 1 56 56 ALA HB1 H 1 1.403 0.007 . 1 . . . . A 52 ALA HB1 . 34779 1 420 . 1 . 1 56 56 ALA HB2 H 1 1.403 0.007 . 1 . . . . A 52 ALA HB2 . 34779 1 421 . 1 . 1 56 56 ALA HB3 H 1 1.403 0.007 . 1 . . . . A 52 ALA HB3 . 34779 1 422 . 1 . 1 56 56 ALA C C 13 177.684 0.000 . 1 . . . . A 52 ALA C . 34779 1 423 . 1 . 1 56 56 ALA CA C 13 53.703 0.070 . 1 . . . . A 52 ALA CA . 34779 1 424 . 1 . 1 56 56 ALA CB C 13 18.203 0.065 . 1 . . . . A 52 ALA CB . 34779 1 425 . 1 . 1 56 56 ALA N N 15 119.304 0.071 . 1 . . . . A 52 ALA N . 34779 1 426 . 1 . 1 57 57 MET H H 1 6.853 0.004 . 1 . . . . A 53 MET H . 34779 1 427 . 1 . 1 57 57 MET HA H 1 4.446 0.005 . 1 . . . . A 53 MET HA . 34779 1 428 . 1 . 1 57 57 MET HB2 H 1 2.001 0.005 . 2 . . . . A 53 MET HB2 . 34779 1 429 . 1 . 1 57 57 MET HB3 H 1 2.032 0.004 . 2 . . . . A 53 MET HB3 . 34779 1 430 . 1 . 1 57 57 MET HG2 H 1 2.289 0.003 . 2 . . . . A 53 MET HG2 . 34779 1 431 . 1 . 1 57 57 MET HG3 H 1 2.526 0.003 . 2 . . . . A 53 MET HG3 . 34779 1 432 . 1 . 1 57 57 MET HE1 H 1 1.745 0.000 . 1 . . . . A 53 MET HE1 . 34779 1 433 . 1 . 1 57 57 MET HE2 H 1 1.745 0.000 . 1 . . . . A 53 MET HE2 . 34779 1 434 . 1 . 1 57 57 MET HE3 H 1 1.745 0.000 . 1 . . . . A 53 MET HE3 . 34779 1 435 . 1 . 1 57 57 MET C C 13 172.533 0.000 . 1 . . . . A 53 MET C . 34779 1 436 . 1 . 1 57 57 MET CA C 13 55.145 0.092 . 1 . . . . A 53 MET CA . 34779 1 437 . 1 . 1 57 57 MET CB C 13 35.723 0.046 . 1 . . . . A 53 MET CB . 34779 1 438 . 1 . 1 57 57 MET CG C 13 31.383 0.137 . 1 . . . . A 53 MET CG . 34779 1 439 . 1 . 1 57 57 MET CE C 13 16.814 0.000 . 1 . . . . A 53 MET CE . 34779 1 440 . 1 . 1 57 57 MET N N 15 120.731 0.016 . 1 . . . . A 53 MET N . 34779 1 441 . 1 . 1 58 58 THR H H 1 8.074 0.004 . 1 . . . . A 54 THR H . 34779 1 442 . 1 . 1 58 58 THR HA H 1 5.089 0.005 . 1 . . . . A 54 THR HA . 34779 1 443 . 1 . 1 58 58 THR HB H 1 3.815 0.004 . 1 . . . . A 54 THR HB . 34779 1 444 . 1 . 1 58 58 THR HG21 H 1 0.896 0.009 . 1 . . . . A 54 THR HG21 . 34779 1 445 . 1 . 1 58 58 THR HG22 H 1 0.896 0.009 . 1 . . . . A 54 THR HG22 . 34779 1 446 . 1 . 1 58 58 THR HG23 H 1 0.896 0.009 . 1 . . . . A 54 THR HG23 . 34779 1 447 . 1 . 1 58 58 THR C C 13 173.457 0.000 . 1 . . . . A 54 THR C . 34779 1 448 . 1 . 1 58 58 THR CA C 13 62.224 0.091 . 1 . . . . A 54 THR CA . 34779 1 449 . 1 . 1 58 58 THR CB C 13 69.344 0.097 . 1 . . . . A 54 THR CB . 34779 1 450 . 1 . 1 58 58 THR CG2 C 13 21.945 0.119 . 1 . . . . A 54 THR CG2 . 34779 1 451 . 1 . 1 58 58 THR N N 15 114.638 0.011 . 1 . . . . A 54 THR N . 34779 1 452 . 1 . 1 59 59 MET H H 1 8.612 0.004 . 1 . . . . A 55 MET H . 34779 1 453 . 1 . 1 59 59 MET HA H 1 4.707 0.003 . 1 . . . . A 55 MET HA . 34779 1 454 . 1 . 1 59 59 MET HB2 H 1 1.673 0.014 . 2 . . . . A 55 MET HB2 . 34779 1 455 . 1 . 1 59 59 MET HB3 H 1 2.105 0.005 . 2 . . . . A 55 MET HB3 . 34779 1 456 . 1 . 1 59 59 MET HG2 H 1 2.170 0.005 . 2 . . . . A 55 MET HG2 . 34779 1 457 . 1 . 1 59 59 MET HG3 H 1 1.892 0.011 . 2 . . . . A 55 MET HG3 . 34779 1 458 . 1 . 1 59 59 MET HE1 H 1 1.421 0.007 . 1 . . . . A 55 MET HE1 . 34779 1 459 . 1 . 1 59 59 MET HE2 H 1 1.421 0.007 . 1 . . . . A 55 MET HE2 . 34779 1 460 . 1 . 1 59 59 MET HE3 H 1 1.421 0.007 . 1 . . . . A 55 MET HE3 . 34779 1 461 . 1 . 1 59 59 MET C C 13 173.316 0.000 . 1 . . . . A 55 MET C . 34779 1 462 . 1 . 1 59 59 MET CA C 13 53.105 0.112 . 1 . . . . A 55 MET CA . 34779 1 463 . 1 . 1 59 59 MET CB C 13 36.462 0.093 . 1 . . . . A 55 MET CB . 34779 1 464 . 1 . 1 59 59 MET CG C 13 32.466 0.058 . 1 . . . . A 55 MET CG . 34779 1 465 . 1 . 1 59 59 MET CE C 13 16.428 0.001 . 1 . . . . A 55 MET CE . 34779 1 466 . 1 . 1 59 59 MET N N 15 126.293 0.043 . 1 . . . . A 55 MET N . 34779 1 467 . 1 . 1 60 60 ARG H H 1 7.948 0.005 . 1 . . . . A 56 ARG H . 34779 1 468 . 1 . 1 60 60 ARG HA H 1 4.794 0.003 . 1 . . . . A 56 ARG HA . 34779 1 469 . 1 . 1 60 60 ARG HB2 H 1 1.360 0.005 . 2 . . . . A 56 ARG HB2 . 34779 1 470 . 1 . 1 60 60 ARG HB3 H 1 1.677 0.006 . 2 . . . . A 56 ARG HB3 . 34779 1 471 . 1 . 1 60 60 ARG HG2 H 1 1.602 0.015 . 2 . . . . A 56 ARG HG2 . 34779 1 472 . 1 . 1 60 60 ARG HG3 H 1 1.602 0.015 . 2 . . . . A 56 ARG HG3 . 34779 1 473 . 1 . 1 60 60 ARG HD2 H 1 3.032 0.007 . 2 . . . . A 56 ARG HD2 . 34779 1 474 . 1 . 1 60 60 ARG HD3 H 1 3.032 0.007 . 2 . . . . A 56 ARG HD3 . 34779 1 475 . 1 . 1 60 60 ARG C C 13 174.866 0.000 . 1 . . . . A 56 ARG C . 34779 1 476 . 1 . 1 60 60 ARG CA C 13 55.583 0.056 . 1 . . . . A 56 ARG CA . 34779 1 477 . 1 . 1 60 60 ARG CB C 13 31.309 0.082 . 1 . . . . A 56 ARG CB . 34779 1 478 . 1 . 1 60 60 ARG CG C 13 27.386 0.089 . 1 . . . . A 56 ARG CG . 34779 1 479 . 1 . 1 60 60 ARG CD C 13 43.900 0.079 . 1 . . . . A 56 ARG CD . 34779 1 480 . 1 . 1 60 60 ARG N N 15 120.078 0.020 . 1 . . . . A 56 ARG N . 34779 1 481 . 1 . 1 61 61 PHE H H 1 9.191 0.004 . 1 . . . . A 57 PHE H . 34779 1 482 . 1 . 1 61 61 PHE HA H 1 4.646 0.004 . 1 . . . . A 57 PHE HA . 34779 1 483 . 1 . 1 61 61 PHE HB2 H 1 2.805 0.001 . 2 . . . . A 57 PHE HB2 . 34779 1 484 . 1 . 1 61 61 PHE HB3 H 1 2.754 0.022 . 2 . . . . A 57 PHE HB3 . 34779 1 485 . 1 . 1 61 61 PHE HD1 H 1 6.727 0.004 . 3 . . . . A 57 PHE HD1 . 34779 1 486 . 1 . 1 61 61 PHE HD2 H 1 6.727 0.004 . 3 . . . . A 57 PHE HD2 . 34779 1 487 . 1 . 1 61 61 PHE HE1 H 1 6.173 0.011 . 3 . . . . A 57 PHE HE1 . 34779 1 488 . 1 . 1 61 61 PHE HE2 H 1 6.173 0.011 . 3 . . . . A 57 PHE HE2 . 34779 1 489 . 1 . 1 61 61 PHE HZ H 1 6.795 0.000 . 1 . . . . A 57 PHE HZ . 34779 1 490 . 1 . 1 61 61 PHE C C 13 175.094 0.000 . 1 . . . . A 57 PHE C . 34779 1 491 . 1 . 1 61 61 PHE CA C 13 57.525 0.096 . 1 . . . . A 57 PHE CA . 34779 1 492 . 1 . 1 61 61 PHE CB C 13 41.603 0.119 . 1 . . . . A 57 PHE CB . 34779 1 493 . 1 . 1 61 61 PHE CD1 C 13 131.667 0.000 . 3 . . . . A 57 PHE CD1 . 34779 1 494 . 1 . 1 61 61 PHE CD2 C 13 131.667 0.000 . 3 . . . . A 57 PHE CD2 . 34779 1 495 . 1 . 1 61 61 PHE CE1 C 13 130.801 0.000 . 3 . . . . A 57 PHE CE1 . 34779 1 496 . 1 . 1 61 61 PHE CE2 C 13 130.801 0.000 . 3 . . . . A 57 PHE CE2 . 34779 1 497 . 1 . 1 61 61 PHE CZ C 13 129.607 0.000 . 1 . . . . A 57 PHE CZ . 34779 1 498 . 1 . 1 61 61 PHE N N 15 123.928 0.026 . 1 . . . . A 57 PHE N . 34779 1 499 . 1 . 1 62 62 THR H H 1 9.086 0.006 . 1 . . . . A 58 THR H . 34779 1 500 . 1 . 1 62 62 THR HA H 1 5.264 0.007 . 1 . . . . A 58 THR HA . 34779 1 501 . 1 . 1 62 62 THR HB H 1 3.877 0.013 . 1 . . . . A 58 THR HB . 34779 1 502 . 1 . 1 62 62 THR HG21 H 1 1.200 0.005 . 1 . . . . A 58 THR HG21 . 34779 1 503 . 1 . 1 62 62 THR HG22 H 1 1.200 0.005 . 1 . . . . A 58 THR HG22 . 34779 1 504 . 1 . 1 62 62 THR HG23 H 1 1.200 0.005 . 1 . . . . A 58 THR HG23 . 34779 1 505 . 1 . 1 62 62 THR C C 13 172.977 0.000 . 1 . . . . A 58 THR C . 34779 1 506 . 1 . 1 62 62 THR CA C 13 62.486 0.084 . 1 . . . . A 58 THR CA . 34779 1 507 . 1 . 1 62 62 THR CB C 13 71.438 0.236 . 1 . . . . A 58 THR CB . 34779 1 508 . 1 . 1 62 62 THR CG2 C 13 21.519 0.135 . 1 . . . . A 58 THR CG2 . 34779 1 509 . 1 . 1 62 62 THR N N 15 120.244 0.022 . 1 . . . . A 58 THR N . 34779 1 510 . 1 . 1 63 63 PHE H H 1 8.008 0.005 . 1 . . . . A 59 PHE H . 34779 1 511 . 1 . 1 63 63 PHE HA H 1 5.428 0.006 . 1 . . . . A 59 PHE HA . 34779 1 512 . 1 . 1 63 63 PHE HB2 H 1 3.231 0.005 . 2 . . . . A 59 PHE HB2 . 34779 1 513 . 1 . 1 63 63 PHE HB3 H 1 2.713 0.004 . 2 . . . . A 59 PHE HB3 . 34779 1 514 . 1 . 1 63 63 PHE HD1 H 1 6.758 0.005 . 3 . . . . A 59 PHE HD1 . 34779 1 515 . 1 . 1 63 63 PHE HD2 H 1 6.758 0.005 . 3 . . . . A 59 PHE HD2 . 34779 1 516 . 1 . 1 63 63 PHE HE1 H 1 7.017 0.004 . 3 . . . . A 59 PHE HE1 . 34779 1 517 . 1 . 1 63 63 PHE HE2 H 1 7.017 0.004 . 3 . . . . A 59 PHE HE2 . 34779 1 518 . 1 . 1 63 63 PHE HZ H 1 7.402 0.004 . 1 . . . . A 59 PHE HZ . 34779 1 519 . 1 . 1 63 63 PHE C C 13 173.168 0.000 . 1 . . . . A 59 PHE C . 34779 1 520 . 1 . 1 63 63 PHE CA C 13 54.777 0.134 . 1 . . . . A 59 PHE CA . 34779 1 521 . 1 . 1 63 63 PHE CB C 13 42.067 0.035 . 1 . . . . A 59 PHE CB . 34779 1 522 . 1 . 1 63 63 PHE CD1 C 13 132.950 0.000 . 3 . . . . A 59 PHE CD1 . 34779 1 523 . 1 . 1 63 63 PHE CD2 C 13 132.950 0.000 . 3 . . . . A 59 PHE CD2 . 34779 1 524 . 1 . 1 63 63 PHE CE1 C 13 130.196 0.000 . 3 . . . . A 59 PHE CE1 . 34779 1 525 . 1 . 1 63 63 PHE CE2 C 13 130.196 0.000 . 3 . . . . A 59 PHE CE2 . 34779 1 526 . 1 . 1 63 63 PHE CZ C 13 130.478 0.000 . 1 . . . . A 59 PHE CZ . 34779 1 527 . 1 . 1 63 63 PHE N N 15 121.437 0.070 . 1 . . . . A 59 PHE N . 34779 1 528 . 1 . 1 64 64 VAL H H 1 8.764 0.004 . 1 . . . . A 60 VAL H . 34779 1 529 . 1 . 1 64 64 VAL HA H 1 3.993 0.005 . 1 . . . . A 60 VAL HA . 34779 1 530 . 1 . 1 64 64 VAL HB H 1 2.053 0.006 . 1 . . . . A 60 VAL HB . 34779 1 531 . 1 . 1 64 64 VAL HG11 H 1 0.960 0.005 . 2 . . . . A 60 VAL HG11 . 34779 1 532 . 1 . 1 64 64 VAL HG12 H 1 0.960 0.005 . 2 . . . . A 60 VAL HG12 . 34779 1 533 . 1 . 1 64 64 VAL HG13 H 1 0.960 0.005 . 2 . . . . A 60 VAL HG13 . 34779 1 534 . 1 . 1 64 64 VAL HG21 H 1 1.010 0.008 . 2 . . . . A 60 VAL HG21 . 34779 1 535 . 1 . 1 64 64 VAL HG22 H 1 1.010 0.008 . 2 . . . . A 60 VAL HG22 . 34779 1 536 . 1 . 1 64 64 VAL HG23 H 1 1.010 0.008 . 2 . . . . A 60 VAL HG23 . 34779 1 537 . 1 . 1 64 64 VAL C C 13 175.401 0.000 . 1 . . . . A 60 VAL C . 34779 1 538 . 1 . 1 64 64 VAL CA C 13 64.434 0.054 . 1 . . . . A 60 VAL CA . 34779 1 539 . 1 . 1 64 64 VAL CB C 13 32.913 0.077 . 1 . . . . A 60 VAL CB . 34779 1 540 . 1 . 1 64 64 VAL CG1 C 13 21.168 0.098 . 2 . . . . A 60 VAL CG1 . 34779 1 541 . 1 . 1 64 64 VAL CG2 C 13 21.775 0.107 . 2 . . . . A 60 VAL CG2 . 34779 1 542 . 1 . 1 64 64 VAL N N 15 118.909 0.019 . 1 . . . . A 60 VAL N . 34779 1 543 . 1 . 1 65 65 ASN H H 1 8.099 0.005 . 1 . . . . A 61 ASN H . 34779 1 544 . 1 . 1 65 65 ASN HA H 1 4.994 0.003 . 1 . . . . A 61 ASN HA . 34779 1 545 . 1 . 1 65 65 ASN HB2 H 1 2.737 0.006 . 2 . . . . A 61 ASN HB2 . 34779 1 546 . 1 . 1 65 65 ASN HB3 H 1 2.737 0.006 . 2 . . . . A 61 ASN HB3 . 34779 1 547 . 1 . 1 65 65 ASN HD21 H 1 7.027 0.000 . 1 . . . . A 61 ASN HD21 . 34779 1 548 . 1 . 1 65 65 ASN HD22 H 1 7.756 0.000 . 1 . . . . A 61 ASN HD22 . 34779 1 549 . 1 . 1 65 65 ASN C C 13 174.144 0.000 . 1 . . . . A 61 ASN C . 34779 1 550 . 1 . 1 65 65 ASN CA C 13 52.269 0.062 . 1 . . . . A 61 ASN CA . 34779 1 551 . 1 . 1 65 65 ASN CB C 13 41.007 0.061 . 1 . . . . A 61 ASN CB . 34779 1 552 . 1 . 1 65 65 ASN N N 15 116.560 0.053 . 1 . . . . A 61 ASN N . 34779 1 553 . 1 . 1 65 65 ASN ND2 N 15 114.576 0.000 . 1 . . . . A 61 ASN ND2 . 34779 1 554 . 1 . 1 66 66 ALA H H 1 9.162 0.005 . 1 . . . . A 62 ALA H . 34779 1 555 . 1 . 1 66 66 ALA HA H 1 3.983 0.003 . 1 . . . . A 62 ALA HA . 34779 1 556 . 1 . 1 66 66 ALA HB1 H 1 1.364 0.004 . 1 . . . . A 62 ALA HB1 . 34779 1 557 . 1 . 1 66 66 ALA HB2 H 1 1.364 0.004 . 1 . . . . A 62 ALA HB2 . 34779 1 558 . 1 . 1 66 66 ALA HB3 H 1 1.364 0.004 . 1 . . . . A 62 ALA HB3 . 34779 1 559 . 1 . 1 66 66 ALA C C 13 175.165 0.000 . 1 . . . . A 62 ALA C . 34779 1 560 . 1 . 1 66 66 ALA CA C 13 52.264 0.078 . 1 . . . . A 62 ALA CA . 34779 1 561 . 1 . 1 66 66 ALA CB C 13 18.186 0.076 . 1 . . . . A 62 ALA CB . 34779 1 562 . 1 . 1 66 66 ALA N N 15 126.580 0.030 . 1 . . . . A 62 ALA N . 34779 1 563 . 1 . 1 67 67 ASP H H 1 7.191 0.003 . 1 . . . . A 63 ASP H . 34779 1 564 . 1 . 1 67 67 ASP HA H 1 4.595 0.006 . 1 . . . . A 63 ASP HA . 34779 1 565 . 1 . 1 67 67 ASP HB2 H 1 2.645 0.003 . 2 . . . . A 63 ASP HB2 . 34779 1 566 . 1 . 1 67 67 ASP HB3 H 1 3.076 0.010 . 2 . . . . A 63 ASP HB3 . 34779 1 567 . 1 . 1 67 67 ASP C C 13 175.809 0.000 . 1 . . . . A 63 ASP C . 34779 1 568 . 1 . 1 67 67 ASP CA C 13 52.512 0.058 . 1 . . . . A 63 ASP CA . 34779 1 569 . 1 . 1 67 67 ASP CB C 13 41.620 0.124 . 1 . . . . A 63 ASP CB . 34779 1 570 . 1 . 1 67 67 ASP N N 15 122.631 0.012 . 1 . . . . A 63 ASP N . 34779 1 571 . 1 . 1 68 68 ASP H H 1 8.349 0.004 . 1 . . . . A 64 ASP H . 34779 1 572 . 1 . 1 68 68 ASP HA H 1 4.272 0.005 . 1 . . . . A 64 ASP HA . 34779 1 573 . 1 . 1 68 68 ASP HB2 H 1 2.636 0.002 . 2 . . . . A 64 ASP HB2 . 34779 1 574 . 1 . 1 68 68 ASP HB3 H 1 2.598 0.016 . 2 . . . . A 64 ASP HB3 . 34779 1 575 . 1 . 1 68 68 ASP C C 13 178.256 0.000 . 1 . . . . A 64 ASP C . 34779 1 576 . 1 . 1 68 68 ASP CA C 13 57.601 0.074 . 1 . . . . A 64 ASP CA . 34779 1 577 . 1 . 1 68 68 ASP CB C 13 40.101 0.086 . 1 . . . . A 64 ASP CB . 34779 1 578 . 1 . 1 68 68 ASP N N 15 117.618 0.025 . 1 . . . . A 64 ASP N . 34779 1 579 . 1 . 1 69 69 ALA H H 1 7.801 0.003 . 1 . . . . A 65 ALA H . 34779 1 580 . 1 . 1 69 69 ALA HA H 1 4.089 0.003 . 1 . . . . A 65 ALA HA . 34779 1 581 . 1 . 1 69 69 ALA HB1 H 1 1.497 0.003 . 1 . . . . A 65 ALA HB1 . 34779 1 582 . 1 . 1 69 69 ALA HB2 H 1 1.497 0.003 . 1 . . . . A 65 ALA HB2 . 34779 1 583 . 1 . 1 69 69 ALA HB3 H 1 1.497 0.003 . 1 . . . . A 65 ALA HB3 . 34779 1 584 . 1 . 1 69 69 ALA C C 13 180.369 0.000 . 1 . . . . A 65 ALA C . 34779 1 585 . 1 . 1 69 69 ALA CA C 13 54.861 0.047 . 1 . . . . A 65 ALA CA . 34779 1 586 . 1 . 1 69 69 ALA CB C 13 18.559 0.035 . 1 . . . . A 65 ALA CB . 34779 1 587 . 1 . 1 69 69 ALA N N 15 121.986 0.058 . 1 . . . . A 65 ALA N . 34779 1 588 . 1 . 1 70 70 ILE H H 1 7.982 0.004 . 1 . . . . A 66 ILE H . 34779 1 589 . 1 . 1 70 70 ILE HA H 1 3.389 0.006 . 1 . . . . A 66 ILE HA . 34779 1 590 . 1 . 1 70 70 ILE HB H 1 1.415 0.008 . 1 . . . . A 66 ILE HB . 34779 1 591 . 1 . 1 70 70 ILE HG12 H 1 1.208 0.011 . 2 . . . . A 66 ILE HG12 . 34779 1 592 . 1 . 1 70 70 ILE HG13 H 1 0.755 0.005 . 2 . . . . A 66 ILE HG13 . 34779 1 593 . 1 . 1 70 70 ILE HG21 H 1 0.094 0.006 . 1 . . . . A 66 ILE HG21 . 34779 1 594 . 1 . 1 70 70 ILE HG22 H 1 0.094 0.006 . 1 . . . . A 66 ILE HG22 . 34779 1 595 . 1 . 1 70 70 ILE HG23 H 1 0.094 0.006 . 1 . . . . A 66 ILE HG23 . 34779 1 596 . 1 . 1 70 70 ILE HD11 H 1 0.215 0.005 . 1 . . . . A 66 ILE HD11 . 34779 1 597 . 1 . 1 70 70 ILE HD12 H 1 0.215 0.005 . 1 . . . . A 66 ILE HD12 . 34779 1 598 . 1 . 1 70 70 ILE HD13 H 1 0.215 0.005 . 1 . . . . A 66 ILE HD13 . 34779 1 599 . 1 . 1 70 70 ILE C C 13 178.369 0.000 . 1 . . . . A 66 ILE C . 34779 1 600 . 1 . 1 70 70 ILE CA C 13 63.491 0.062 . 1 . . . . A 66 ILE CA . 34779 1 601 . 1 . 1 70 70 ILE CB C 13 37.340 0.129 . 1 . . . . A 66 ILE CB . 34779 1 602 . 1 . 1 70 70 ILE CG1 C 13 29.038 0.148 . 1 . . . . A 66 ILE CG1 . 34779 1 603 . 1 . 1 70 70 ILE CG2 C 13 16.599 0.062 . 1 . . . . A 66 ILE CG2 . 34779 1 604 . 1 . 1 70 70 ILE CD1 C 13 11.230 0.097 . 1 . . . . A 66 ILE CD1 . 34779 1 605 . 1 . 1 70 70 ILE N N 15 118.234 0.065 . 1 . . . . A 66 ILE N . 34779 1 606 . 1 . 1 71 71 ASN H H 1 8.317 0.005 . 1 . . . . A 67 ASN H . 34779 1 607 . 1 . 1 71 71 ASN HA H 1 4.406 0.009 . 1 . . . . A 67 ASN HA . 34779 1 608 . 1 . 1 71 71 ASN HB2 H 1 2.713 0.003 . 2 . . . . A 67 ASN HB2 . 34779 1 609 . 1 . 1 71 71 ASN HB3 H 1 2.713 0.003 . 2 . . . . A 67 ASN HB3 . 34779 1 610 . 1 . 1 71 71 ASN HD21 H 1 6.473 0.000 . 1 . . . . A 67 ASN HD21 . 34779 1 611 . 1 . 1 71 71 ASN HD22 H 1 7.363 0.000 . 1 . . . . A 67 ASN HD22 . 34779 1 612 . 1 . 1 71 71 ASN C C 13 175.760 0.000 . 1 . . . . A 67 ASN C . 34779 1 613 . 1 . 1 71 71 ASN CA C 13 55.213 0.032 . 1 . . . . A 67 ASN CA . 34779 1 614 . 1 . 1 71 71 ASN CB C 13 38.266 0.047 . 1 . . . . A 67 ASN CB . 34779 1 615 . 1 . 1 71 71 ASN N N 15 116.706 0.016 . 1 . . . . A 67 ASN N . 34779 1 616 . 1 . 1 71 71 ASN ND2 N 15 110.966 0.000 . 1 . . . . A 67 ASN ND2 . 34779 1 617 . 1 . 1 72 72 ALA H H 1 7.219 0.003 . 1 . . . . A 68 ALA H . 34779 1 618 . 1 . 1 72 72 ALA HA H 1 4.362 0.004 . 1 . . . . A 68 ALA HA . 34779 1 619 . 1 . 1 72 72 ALA HB1 H 1 1.442 0.003 . 1 . . . . A 68 ALA HB1 . 34779 1 620 . 1 . 1 72 72 ALA HB2 H 1 1.442 0.003 . 1 . . . . A 68 ALA HB2 . 34779 1 621 . 1 . 1 72 72 ALA HB3 H 1 1.442 0.003 . 1 . . . . A 68 ALA HB3 . 34779 1 622 . 1 . 1 72 72 ALA C C 13 177.937 0.000 . 1 . . . . A 68 ALA C . 34779 1 623 . 1 . 1 72 72 ALA CA C 13 52.135 0.071 . 1 . . . . A 68 ALA CA . 34779 1 624 . 1 . 1 72 72 ALA CB C 13 19.591 0.091 . 1 . . . . A 68 ALA CB . 34779 1 625 . 1 . 1 72 72 ALA N N 15 119.073 0.059 . 1 . . . . A 68 ALA N . 34779 1 626 . 1 . 1 73 73 LEU H H 1 7.193 0.003 . 1 . . . . A 69 LEU H . 34779 1 627 . 1 . 1 73 73 LEU HA H 1 4.064 0.003 . 1 . . . . A 69 LEU HA . 34779 1 628 . 1 . 1 73 73 LEU HB2 H 1 1.173 0.013 . 2 . . . . A 69 LEU HB2 . 34779 1 629 . 1 . 1 73 73 LEU HB3 H 1 1.874 0.005 . 2 . . . . A 69 LEU HB3 . 34779 1 630 . 1 . 1 73 73 LEU HG H 1 2.060 0.005 . 1 . . . . A 69 LEU HG . 34779 1 631 . 1 . 1 73 73 LEU HD11 H 1 0.756 0.005 . 2 . . . . A 69 LEU HD11 . 34779 1 632 . 1 . 1 73 73 LEU HD12 H 1 0.756 0.005 . 2 . . . . A 69 LEU HD12 . 34779 1 633 . 1 . 1 73 73 LEU HD13 H 1 0.756 0.005 . 2 . . . . A 69 LEU HD13 . 34779 1 634 . 1 . 1 73 73 LEU HD21 H 1 0.691 0.004 . 2 . . . . A 69 LEU HD21 . 34779 1 635 . 1 . 1 73 73 LEU HD22 H 1 0.691 0.004 . 2 . . . . A 69 LEU HD22 . 34779 1 636 . 1 . 1 73 73 LEU HD23 H 1 0.691 0.004 . 2 . . . . A 69 LEU HD23 . 34779 1 637 . 1 . 1 73 73 LEU C C 13 175.742 0.000 . 1 . . . . A 69 LEU C . 34779 1 638 . 1 . 1 73 73 LEU CA C 13 55.569 0.040 . 1 . . . . A 69 LEU CA . 34779 1 639 . 1 . 1 73 73 LEU CB C 13 44.083 0.093 . 1 . . . . A 69 LEU CB . 34779 1 640 . 1 . 1 73 73 LEU CG C 13 26.090 0.050 . 1 . . . . A 69 LEU CG . 34779 1 641 . 1 . 1 73 73 LEU CD1 C 13 26.425 0.020 . 2 . . . . A 69 LEU CD1 . 34779 1 642 . 1 . 1 73 73 LEU CD2 C 13 24.131 0.041 . 2 . . . . A 69 LEU CD2 . 34779 1 643 . 1 . 1 73 73 LEU N N 15 119.367 0.094 . 1 . . . . A 69 LEU N . 34779 1 644 . 1 . 1 74 74 LYS H H 1 7.834 0.003 . 1 . . . . A 70 LYS H . 34779 1 645 . 1 . 1 74 74 LYS HA H 1 4.600 0.004 . 1 . . . . A 70 LYS HA . 34779 1 646 . 1 . 1 74 74 LYS HB2 H 1 1.550 0.005 . 2 . . . . A 70 LYS HB2 . 34779 1 647 . 1 . 1 74 74 LYS HB3 H 1 1.834 0.004 . 2 . . . . A 70 LYS HB3 . 34779 1 648 . 1 . 1 74 74 LYS HG2 H 1 1.435 0.019 . 2 . . . . A 70 LYS HG2 . 34779 1 649 . 1 . 1 74 74 LYS HG3 H 1 1.435 0.019 . 2 . . . . A 70 LYS HG3 . 34779 1 650 . 1 . 1 74 74 LYS HD2 H 1 1.679 0.005 . 2 . . . . A 70 LYS HD2 . 34779 1 651 . 1 . 1 74 74 LYS HD3 H 1 1.679 0.005 . 2 . . . . A 70 LYS HD3 . 34779 1 652 . 1 . 1 74 74 LYS HE2 H 1 2.982 0.016 . 2 . . . . A 70 LYS HE2 . 34779 1 653 . 1 . 1 74 74 LYS HE3 H 1 2.982 0.016 . 2 . . . . A 70 LYS HE3 . 34779 1 654 . 1 . 1 74 74 LYS C C 13 176.159 0.000 . 1 . . . . A 70 LYS C . 34779 1 655 . 1 . 1 74 74 LYS CA C 13 53.708 0.070 . 1 . . . . A 70 LYS CA . 34779 1 656 . 1 . 1 74 74 LYS CB C 13 36.046 0.095 . 1 . . . . A 70 LYS CB . 34779 1 657 . 1 . 1 74 74 LYS CG C 13 24.579 0.214 . 1 . . . . A 70 LYS CG . 34779 1 658 . 1 . 1 74 74 LYS CD C 13 29.021 0.126 . 1 . . . . A 70 LYS CD . 34779 1 659 . 1 . 1 74 74 LYS CE C 13 42.360 0.129 . 1 . . . . A 70 LYS CE . 34779 1 660 . 1 . 1 74 74 LYS N N 15 119.254 0.009 . 1 . . . . A 70 LYS N . 34779 1 661 . 1 . 1 75 75 THR H H 1 8.583 0.004 . 1 . . . . A 71 THR H . 34779 1 662 . 1 . 1 75 75 THR HA H 1 3.534 0.005 . 1 . . . . A 71 THR HA . 34779 1 663 . 1 . 1 75 75 THR HB H 1 4.033 0.006 . 1 . . . . A 71 THR HB . 34779 1 664 . 1 . 1 75 75 THR HG21 H 1 1.188 0.005 . 1 . . . . A 71 THR HG21 . 34779 1 665 . 1 . 1 75 75 THR HG22 H 1 1.188 0.005 . 1 . . . . A 71 THR HG22 . 34779 1 666 . 1 . 1 75 75 THR HG23 H 1 1.188 0.005 . 1 . . . . A 71 THR HG23 . 34779 1 667 . 1 . 1 75 75 THR C C 13 175.165 0.000 . 1 . . . . A 71 THR C . 34779 1 668 . 1 . 1 75 75 THR CA C 13 64.670 0.053 . 1 . . . . A 71 THR CA . 34779 1 669 . 1 . 1 75 75 THR CB C 13 68.374 0.097 . 1 . . . . A 71 THR CB . 34779 1 670 . 1 . 1 75 75 THR CG2 C 13 22.519 0.057 . 1 . . . . A 71 THR CG2 . 34779 1 671 . 1 . 1 75 75 THR N N 15 116.061 0.026 . 1 . . . . A 71 THR N . 34779 1 672 . 1 . 1 76 76 GLY H H 1 9.232 0.004 . 1 . . . . A 72 GLY H . 34779 1 673 . 1 . 1 76 76 GLY HA2 H 1 3.502 0.006 . 2 . . . . A 72 GLY HA2 . 34779 1 674 . 1 . 1 76 76 GLY HA3 H 1 4.493 0.009 . 2 . . . . A 72 GLY HA3 . 34779 1 675 . 1 . 1 76 76 GLY C C 13 174.681 0.000 . 1 . . . . A 72 GLY C . 34779 1 676 . 1 . 1 76 76 GLY CA C 13 44.675 0.070 . 1 . . . . A 72 GLY CA . 34779 1 677 . 1 . 1 76 76 GLY N N 15 113.709 0.014 . 1 . . . . A 72 GLY N . 34779 1 678 . 1 . 1 77 77 ASN H H 1 7.961 0.004 . 1 . . . . A 73 ASN H . 34779 1 679 . 1 . 1 77 77 ASN HA H 1 4.727 0.005 . 1 . . . . A 73 ASN HA . 34779 1 680 . 1 . 1 77 77 ASN HB2 H 1 2.660 0.004 . 2 . . . . A 73 ASN HB2 . 34779 1 681 . 1 . 1 77 77 ASN HB3 H 1 2.693 0.019 . 2 . . . . A 73 ASN HB3 . 34779 1 682 . 1 . 1 77 77 ASN HD21 H 1 7.171 0.000 . 1 . . . . A 73 ASN HD21 . 34779 1 683 . 1 . 1 77 77 ASN HD22 H 1 7.884 0.000 . 1 . . . . A 73 ASN HD22 . 34779 1 684 . 1 . 1 77 77 ASN C C 13 174.402 0.000 . 1 . . . . A 73 ASN C . 34779 1 685 . 1 . 1 77 77 ASN CA C 13 54.097 0.091 . 1 . . . . A 73 ASN CA . 34779 1 686 . 1 . 1 77 77 ASN CB C 13 39.991 0.036 . 1 . . . . A 73 ASN CB . 34779 1 687 . 1 . 1 77 77 ASN N N 15 117.360 0.061 . 1 . . . . A 73 ASN N . 34779 1 688 . 1 . 1 77 77 ASN ND2 N 15 110.533 0.000 . 1 . . . . A 73 ASN ND2 . 34779 1 689 . 1 . 1 78 78 HIS H H 1 9.297 0.007 . 1 . . . . A 74 HIS H . 34779 1 690 . 1 . 1 78 78 HIS HA H 1 5.210 0.006 . 1 . . . . A 74 HIS HA . 34779 1 691 . 1 . 1 78 78 HIS HB2 H 1 3.280 0.005 . 2 . . . . A 74 HIS HB2 . 34779 1 692 . 1 . 1 78 78 HIS HB3 H 1 3.222 0.009 . 2 . . . . A 74 HIS HB3 . 34779 1 693 . 1 . 1 78 78 HIS HD2 H 1 7.384 0.007 . 1 . . . . A 74 HIS HD2 . 34779 1 694 . 1 . 1 78 78 HIS HE1 H 1 8.465 0.000 . 1 . . . . A 74 HIS HE1 . 34779 1 695 . 1 . 1 78 78 HIS C C 13 175.158 0.000 . 1 . . . . A 74 HIS C . 34779 1 696 . 1 . 1 78 78 HIS CA C 13 55.619 0.092 . 1 . . . . A 74 HIS CA . 34779 1 697 . 1 . 1 78 78 HIS CB C 13 29.512 0.107 . 1 . . . . A 74 HIS CB . 34779 1 698 . 1 . 1 78 78 HIS CD2 C 13 120.134 0.000 . 1 . . . . A 74 HIS CD2 . 34779 1 699 . 1 . 1 78 78 HIS CE1 C 13 136.736 0.000 . 1 . . . . A 74 HIS CE1 . 34779 1 700 . 1 . 1 78 78 HIS N N 15 123.177 0.026 . 1 . . . . A 74 HIS N . 34779 1 701 . 1 . 1 79 79 VAL H H 1 9.178 0.004 . 1 . . . . A 75 VAL H . 34779 1 702 . 1 . 1 79 79 VAL HA H 1 5.496 0.004 . 1 . . . . A 75 VAL HA . 34779 1 703 . 1 . 1 79 79 VAL HB H 1 2.052 0.008 . 1 . . . . A 75 VAL HB . 34779 1 704 . 1 . 1 79 79 VAL HG11 H 1 0.685 0.003 . 2 . . . . A 75 VAL HG11 . 34779 1 705 . 1 . 1 79 79 VAL HG12 H 1 0.685 0.003 . 2 . . . . A 75 VAL HG12 . 34779 1 706 . 1 . 1 79 79 VAL HG13 H 1 0.685 0.003 . 2 . . . . A 75 VAL HG13 . 34779 1 707 . 1 . 1 79 79 VAL HG21 H 1 0.616 0.012 . 2 . . . . A 75 VAL HG21 . 34779 1 708 . 1 . 1 79 79 VAL HG22 H 1 0.616 0.012 . 2 . . . . A 75 VAL HG22 . 34779 1 709 . 1 . 1 79 79 VAL HG23 H 1 0.616 0.012 . 2 . . . . A 75 VAL HG23 . 34779 1 710 . 1 . 1 79 79 VAL C C 13 174.909 0.000 . 1 . . . . A 75 VAL C . 34779 1 711 . 1 . 1 79 79 VAL CA C 13 58.452 0.076 . 1 . . . . A 75 VAL CA . 34779 1 712 . 1 . 1 79 79 VAL CB C 13 36.012 0.109 . 1 . . . . A 75 VAL CB . 34779 1 713 . 1 . 1 79 79 VAL CG1 C 13 23.020 0.042 . 2 . . . . A 75 VAL CG1 . 34779 1 714 . 1 . 1 79 79 VAL CG2 C 13 17.905 0.062 . 2 . . . . A 75 VAL CG2 . 34779 1 715 . 1 . 1 79 79 VAL N N 15 115.698 0.015 . 1 . . . . A 75 VAL N . 34779 1 716 . 1 . 1 80 80 ASP H H 1 8.693 0.004 . 1 . . . . A 76 ASP H . 34779 1 717 . 1 . 1 80 80 ASP HA H 1 5.338 0.005 . 1 . . . . A 76 ASP HA . 34779 1 718 . 1 . 1 80 80 ASP HB2 H 1 2.514 0.006 . 2 . . . . A 76 ASP HB2 . 34779 1 719 . 1 . 1 80 80 ASP HB3 H 1 2.728 0.009 . 2 . . . . A 76 ASP HB3 . 34779 1 720 . 1 . 1 80 80 ASP C C 13 175.276 0.000 . 1 . . . . A 76 ASP C . 34779 1 721 . 1 . 1 80 80 ASP CA C 13 53.285 0.096 . 1 . . . . A 76 ASP CA . 34779 1 722 . 1 . 1 80 80 ASP CB C 13 42.616 0.045 . 1 . . . . A 76 ASP CB . 34779 1 723 . 1 . 1 80 80 ASP N N 15 121.273 0.069 . 1 . . . . A 76 ASP N . 34779 1 724 . 1 . 1 81 81 PHE H H 1 8.511 0.003 . 1 . . . . A 77 PHE H . 34779 1 725 . 1 . 1 81 81 PHE HA H 1 5.372 0.003 . 1 . . . . A 77 PHE HA . 34779 1 726 . 1 . 1 81 81 PHE HB2 H 1 3.111 0.007 . 2 . . . . A 77 PHE HB2 . 34779 1 727 . 1 . 1 81 81 PHE HB3 H 1 2.683 0.006 . 2 . . . . A 77 PHE HB3 . 34779 1 728 . 1 . 1 81 81 PHE HD1 H 1 6.492 0.000 . 3 . . . . A 77 PHE HD1 . 34779 1 729 . 1 . 1 81 81 PHE HD2 H 1 6.492 0.000 . 3 . . . . A 77 PHE HD2 . 34779 1 730 . 1 . 1 81 81 PHE HE1 H 1 6.516 0.000 . 3 . . . . A 77 PHE HE1 . 34779 1 731 . 1 . 1 81 81 PHE HE2 H 1 6.516 0.000 . 3 . . . . A 77 PHE HE2 . 34779 1 732 . 1 . 1 81 81 PHE HZ H 1 6.623 0.000 . 1 . . . . A 77 PHE HZ . 34779 1 733 . 1 . 1 81 81 PHE C C 13 172.442 0.000 . 1 . . . . A 77 PHE C . 34779 1 734 . 1 . 1 81 81 PHE CA C 13 55.883 0.113 . 1 . . . . A 77 PHE CA . 34779 1 735 . 1 . 1 81 81 PHE CB C 13 41.635 0.058 . 1 . . . . A 77 PHE CB . 34779 1 736 . 1 . 1 81 81 PHE CD1 C 13 131.385 0.000 . 3 . . . . A 77 PHE CD1 . 34779 1 737 . 1 . 1 81 81 PHE CD2 C 13 131.385 0.000 . 3 . . . . A 77 PHE CD2 . 34779 1 738 . 1 . 1 81 81 PHE CE1 C 13 130.760 0.000 . 3 . . . . A 77 PHE CE1 . 34779 1 739 . 1 . 1 81 81 PHE CE2 C 13 130.760 0.000 . 3 . . . . A 77 PHE CE2 . 34779 1 740 . 1 . 1 81 81 PHE CZ C 13 127.786 0.000 . 1 . . . . A 77 PHE CZ . 34779 1 741 . 1 . 1 81 81 PHE N N 15 118.525 0.023 . 1 . . . . A 77 PHE N . 34779 1 742 . 1 . 1 82 82 SER H H 1 8.926 0.004 . 1 . . . . A 78 SER H . 34779 1 743 . 1 . 1 82 82 SER HA H 1 5.806 0.005 . 1 . . . . A 78 SER HA . 34779 1 744 . 1 . 1 82 82 SER HB2 H 1 3.614 0.004 . 2 . . . . A 78 SER HB2 . 34779 1 745 . 1 . 1 82 82 SER HB3 H 1 3.614 0.004 . 2 . . . . A 78 SER HB3 . 34779 1 746 . 1 . 1 82 82 SER C C 13 174.217 0.000 . 1 . . . . A 78 SER C . 34779 1 747 . 1 . 1 82 82 SER CA C 13 56.417 0.065 . 1 . . . . A 78 SER CA . 34779 1 748 . 1 . 1 82 82 SER CB C 13 67.000 0.036 . 1 . . . . A 78 SER CB . 34779 1 749 . 1 . 1 82 82 SER N N 15 114.476 0.049 . 1 . . . . A 78 SER N . 34779 1 750 . 1 . 1 83 83 PHE H H 1 9.720 0.004 . 1 . . . . A 79 PHE H . 34779 1 751 . 1 . 1 83 83 PHE HA H 1 5.689 0.007 . 1 . . . . A 79 PHE HA . 34779 1 752 . 1 . 1 83 83 PHE HB2 H 1 3.062 0.004 . 2 . . . . A 79 PHE HB2 . 34779 1 753 . 1 . 1 83 83 PHE HB3 H 1 3.030 0.004 . 2 . . . . A 79 PHE HB3 . 34779 1 754 . 1 . 1 83 83 PHE HD1 H 1 6.940 0.003 . 3 . . . . A 79 PHE HD1 . 34779 1 755 . 1 . 1 83 83 PHE HD2 H 1 6.940 0.003 . 3 . . . . A 79 PHE HD2 . 34779 1 756 . 1 . 1 83 83 PHE HE1 H 1 6.412 0.007 . 3 . . . . A 79 PHE HE1 . 34779 1 757 . 1 . 1 83 83 PHE HE2 H 1 6.412 0.007 . 3 . . . . A 79 PHE HE2 . 34779 1 758 . 1 . 1 83 83 PHE HZ H 1 6.967 0.007 . 1 . . . . A 79 PHE HZ . 34779 1 759 . 1 . 1 83 83 PHE C C 13 171.320 0.000 . 1 . . . . A 79 PHE C . 34779 1 760 . 1 . 1 83 83 PHE CA C 13 56.344 0.060 . 1 . . . . A 79 PHE CA . 34779 1 761 . 1 . 1 83 83 PHE CB C 13 42.609 0.029 . 1 . . . . A 79 PHE CB . 34779 1 762 . 1 . 1 83 83 PHE CD1 C 13 132.635 0.000 . 3 . . . . A 79 PHE CD1 . 34779 1 763 . 1 . 1 83 83 PHE CD2 C 13 132.635 0.000 . 3 . . . . A 79 PHE CD2 . 34779 1 764 . 1 . 1 83 83 PHE CE1 C 13 130.760 0.000 . 3 . . . . A 79 PHE CE1 . 34779 1 765 . 1 . 1 83 83 PHE CE2 C 13 130.760 0.000 . 3 . . . . A 79 PHE CE2 . 34779 1 766 . 1 . 1 83 83 PHE CZ C 13 131.230 0.000 . 1 . . . . A 79 PHE CZ . 34779 1 767 . 1 . 1 83 83 PHE N N 15 120.895 0.019 . 1 . . . . A 79 PHE N . 34779 1 768 . 1 . 1 84 84 ILE H H 1 8.942 0.003 . 1 . . . . A 80 ILE H . 34779 1 769 . 1 . 1 84 84 ILE HA H 1 4.710 0.008 . 1 . . . . A 80 ILE HA . 34779 1 770 . 1 . 1 84 84 ILE HB H 1 1.754 0.008 . 1 . . . . A 80 ILE HB . 34779 1 771 . 1 . 1 84 84 ILE HG12 H 1 1.042 0.002 . 2 . . . . A 80 ILE HG12 . 34779 1 772 . 1 . 1 84 84 ILE HG13 H 1 1.491 0.005 . 2 . . . . A 80 ILE HG13 . 34779 1 773 . 1 . 1 84 84 ILE HG21 H 1 0.886 0.004 . 1 . . . . A 80 ILE HG21 . 34779 1 774 . 1 . 1 84 84 ILE HG22 H 1 0.886 0.004 . 1 . . . . A 80 ILE HG22 . 34779 1 775 . 1 . 1 84 84 ILE HG23 H 1 0.886 0.004 . 1 . . . . A 80 ILE HG23 . 34779 1 776 . 1 . 1 84 84 ILE HD11 H 1 0.847 0.004 . 1 . . . . A 80 ILE HD11 . 34779 1 777 . 1 . 1 84 84 ILE HD12 H 1 0.847 0.004 . 1 . . . . A 80 ILE HD12 . 34779 1 778 . 1 . 1 84 84 ILE HD13 H 1 0.847 0.004 . 1 . . . . A 80 ILE HD13 . 34779 1 779 . 1 . 1 84 84 ILE C C 13 174.789 0.000 . 1 . . . . A 80 ILE C . 34779 1 780 . 1 . 1 84 84 ILE CA C 13 59.066 0.082 . 1 . . . . A 80 ILE CA . 34779 1 781 . 1 . 1 84 84 ILE CB C 13 42.385 0.068 . 1 . . . . A 80 ILE CB . 34779 1 782 . 1 . 1 84 84 ILE CG1 C 13 26.938 0.087 . 1 . . . . A 80 ILE CG1 . 34779 1 783 . 1 . 1 84 84 ILE CG2 C 13 18.501 0.073 . 1 . . . . A 80 ILE CG2 . 34779 1 784 . 1 . 1 84 84 ILE CD1 C 13 14.178 0.072 . 1 . . . . A 80 ILE CD1 . 34779 1 785 . 1 . 1 84 84 ILE N N 15 113.050 0.021 . 1 . . . . A 80 ILE N . 34779 1 786 . 1 . 1 85 85 GLN H H 1 9.154 0.007 . 1 . . . . A 81 GLN H . 34779 1 787 . 1 . 1 85 85 GLN HA H 1 5.083 0.004 . 1 . . . . A 81 GLN HA . 34779 1 788 . 1 . 1 85 85 GLN HB2 H 1 2.099 0.006 . 2 . . . . A 81 GLN HB2 . 34779 1 789 . 1 . 1 85 85 GLN HB3 H 1 2.148 0.008 . 2 . . . . A 81 GLN HB3 . 34779 1 790 . 1 . 1 85 85 GLN HG2 H 1 2.354 0.009 . 2 . . . . A 81 GLN HG2 . 34779 1 791 . 1 . 1 85 85 GLN HG3 H 1 2.503 0.002 . 2 . . . . A 81 GLN HG3 . 34779 1 792 . 1 . 1 85 85 GLN HE21 H 1 7.523 0.000 . 1 . . . . A 81 GLN HE21 . 34779 1 793 . 1 . 1 85 85 GLN HE22 H 1 6.690 0.000 . 1 . . . . A 81 GLN HE22 . 34779 1 794 . 1 . 1 85 85 GLN C C 13 175.566 0.000 . 1 . . . . A 81 GLN C . 34779 1 795 . 1 . 1 85 85 GLN CA C 13 55.188 0.087 . 1 . . . . A 81 GLN CA . 34779 1 796 . 1 . 1 85 85 GLN CB C 13 30.078 0.103 . 1 . . . . A 81 GLN CB . 34779 1 797 . 1 . 1 85 85 GLN CG C 13 33.898 0.084 . 1 . . . . A 81 GLN CG . 34779 1 798 . 1 . 1 85 85 GLN N N 15 124.377 0.059 . 1 . . . . A 81 GLN N . 34779 1 799 . 1 . 1 85 85 GLN NE2 N 15 109.529 0.000 . 1 . . . . A 81 GLN NE2 . 34779 1 800 . 1 . 1 86 86 GLN H H 1 9.024 0.005 . 1 . . . . A 82 GLN H . 34779 1 801 . 1 . 1 86 86 GLN HA H 1 4.682 0.008 . 1 . . . . A 82 GLN HA . 34779 1 802 . 1 . 1 86 86 GLN HB2 H 1 1.872 0.006 . 2 . . . . A 82 GLN HB2 . 34779 1 803 . 1 . 1 86 86 GLN HB3 H 1 2.015 0.009 . 2 . . . . A 82 GLN HB3 . 34779 1 804 . 1 . 1 86 86 GLN HG2 H 1 2.195 0.004 . 2 . . . . A 82 GLN HG2 . 34779 1 805 . 1 . 1 86 86 GLN HG3 H 1 2.195 0.004 . 2 . . . . A 82 GLN HG3 . 34779 1 806 . 1 . 1 86 86 GLN HE21 H 1 6.743 0.000 . 1 . . . . A 82 GLN HE21 . 34779 1 807 . 1 . 1 86 86 GLN HE22 H 1 7.383 0.000 . 1 . . . . A 82 GLN HE22 . 34779 1 808 . 1 . 1 86 86 GLN C C 13 175.908 0.000 . 1 . . . . A 82 GLN C . 34779 1 809 . 1 . 1 86 86 GLN CA C 13 54.133 0.100 . 1 . . . . A 82 GLN CA . 34779 1 810 . 1 . 1 86 86 GLN CB C 13 30.158 0.037 . 1 . . . . A 82 GLN CB . 34779 1 811 . 1 . 1 86 86 GLN CG C 13 33.991 0.031 . 1 . . . . A 82 GLN CG . 34779 1 812 . 1 . 1 86 86 GLN N N 15 128.215 0.012 . 1 . . . . A 82 GLN N . 34779 1 813 . 1 . 1 86 86 GLN NE2 N 15 110.781 0.000 . 1 . . . . A 82 GLN NE2 . 34779 1 814 . 1 . 1 87 87 GLY H H 1 9.017 0.004 . 1 . . . . A 83 GLY H . 34779 1 815 . 1 . 1 87 87 GLY HA2 H 1 4.023 0.007 . 2 . . . . A 83 GLY HA2 . 34779 1 816 . 1 . 1 87 87 GLY HA3 H 1 3.681 0.007 . 2 . . . . A 83 GLY HA3 . 34779 1 817 . 1 . 1 87 87 GLY C C 13 174.880 0.000 . 1 . . . . A 83 GLY C . 34779 1 818 . 1 . 1 87 87 GLY CA C 13 47.293 0.073 . 1 . . . . A 83 GLY CA . 34779 1 819 . 1 . 1 87 87 GLY N N 15 116.493 0.070 . 1 . . . . A 83 GLY N . 34779 1 820 . 1 . 1 88 88 ASN H H 1 8.936 0.006 . 1 . . . . A 84 ASN H . 34779 1 821 . 1 . 1 88 88 ASN HA H 1 4.737 0.003 . 1 . . . . A 84 ASN HA . 34779 1 822 . 1 . 1 88 88 ASN HB2 H 1 2.882 0.003 . 2 . . . . A 84 ASN HB2 . 34779 1 823 . 1 . 1 88 88 ASN HB3 H 1 2.882 0.003 . 2 . . . . A 84 ASN HB3 . 34779 1 824 . 1 . 1 88 88 ASN HD21 H 1 6.881 0.000 . 1 . . . . A 84 ASN HD21 . 34779 1 825 . 1 . 1 88 88 ASN HD22 H 1 7.574 0.000 . 1 . . . . A 84 ASN HD22 . 34779 1 826 . 1 . 1 88 88 ASN C C 13 174.786 0.000 . 1 . . . . A 84 ASN C . 34779 1 827 . 1 . 1 88 88 ASN CA C 13 53.468 0.179 . 1 . . . . A 84 ASN CA . 34779 1 828 . 1 . 1 88 88 ASN CB C 13 38.304 0.047 . 1 . . . . A 84 ASN CB . 34779 1 829 . 1 . 1 88 88 ASN N N 15 124.894 0.059 . 1 . . . . A 84 ASN N . 34779 1 830 . 1 . 1 88 88 ASN ND2 N 15 111.982 0.000 . 1 . . . . A 84 ASN ND2 . 34779 1 831 . 1 . 1 89 89 ILE H H 1 8.024 0.004 . 1 . . . . A 85 ILE H . 34779 1 832 . 1 . 1 89 89 ILE HA H 1 4.271 0.005 . 1 . . . . A 85 ILE HA . 34779 1 833 . 1 . 1 89 89 ILE HB H 1 2.180 0.007 . 1 . . . . A 85 ILE HB . 34779 1 834 . 1 . 1 89 89 ILE HG12 H 1 1.565 0.008 . 2 . . . . A 85 ILE HG12 . 34779 1 835 . 1 . 1 89 89 ILE HG13 H 1 1.303 0.009 . 2 . . . . A 85 ILE HG13 . 34779 1 836 . 1 . 1 89 89 ILE HG21 H 1 0.904 0.005 . 1 . . . . A 85 ILE HG21 . 34779 1 837 . 1 . 1 89 89 ILE HG22 H 1 0.904 0.005 . 1 . . . . A 85 ILE HG22 . 34779 1 838 . 1 . 1 89 89 ILE HG23 H 1 0.904 0.005 . 1 . . . . A 85 ILE HG23 . 34779 1 839 . 1 . 1 89 89 ILE HD11 H 1 0.844 0.007 . 1 . . . . A 85 ILE HD11 . 34779 1 840 . 1 . 1 89 89 ILE HD12 H 1 0.844 0.007 . 1 . . . . A 85 ILE HD12 . 34779 1 841 . 1 . 1 89 89 ILE HD13 H 1 0.844 0.007 . 1 . . . . A 85 ILE HD13 . 34779 1 842 . 1 . 1 89 89 ILE C C 13 174.783 0.000 . 1 . . . . A 85 ILE C . 34779 1 843 . 1 . 1 89 89 ILE CA C 13 60.193 0.064 . 1 . . . . A 85 ILE CA . 34779 1 844 . 1 . 1 89 89 ILE CB C 13 39.654 0.159 . 1 . . . . A 85 ILE CB . 34779 1 845 . 1 . 1 89 89 ILE CG1 C 13 27.046 0.042 . 1 . . . . A 85 ILE CG1 . 34779 1 846 . 1 . 1 89 89 ILE CG2 C 13 17.442 0.127 . 1 . . . . A 85 ILE CG2 . 34779 1 847 . 1 . 1 89 89 ILE CD1 C 13 12.469 0.099 . 1 . . . . A 85 ILE CD1 . 34779 1 848 . 1 . 1 89 89 ILE N N 15 120.891 0.035 . 1 . . . . A 85 ILE N . 34779 1 849 . 1 . 1 90 90 SER H H 1 8.439 0.005 . 1 . . . . A 86 SER H . 34779 1 850 . 1 . 1 90 90 SER HA H 1 5.215 0.007 . 1 . . . . A 86 SER HA . 34779 1 851 . 1 . 1 90 90 SER HB2 H 1 3.510 0.007 . 2 . . . . A 86 SER HB2 . 34779 1 852 . 1 . 1 90 90 SER HB3 H 1 3.759 0.006 . 2 . . . . A 86 SER HB3 . 34779 1 853 . 1 . 1 90 90 SER C C 13 172.483 0.000 . 1 . . . . A 86 SER C . 34779 1 854 . 1 . 1 90 90 SER CA C 13 57.782 0.055 . 1 . . . . A 86 SER CA . 34779 1 855 . 1 . 1 90 90 SER CB C 13 64.258 0.071 . 1 . . . . A 86 SER CB . 34779 1 856 . 1 . 1 90 90 SER N N 15 123.928 0.010 . 1 . . . . A 86 SER N . 34779 1 857 . 1 . 1 91 91 LEU H H 1 9.343 0.006 . 1 . . . . A 87 LEU H . 34779 1 858 . 1 . 1 91 91 LEU HA H 1 4.846 0.010 . 1 . . . . A 87 LEU HA . 34779 1 859 . 1 . 1 91 91 LEU HB2 H 1 1.295 0.002 . 2 . . . . A 87 LEU HB2 . 34779 1 860 . 1 . 1 91 91 LEU HB3 H 1 1.963 0.006 . 2 . . . . A 87 LEU HB3 . 34779 1 861 . 1 . 1 91 91 LEU HG H 1 1.513 0.006 . 1 . . . . A 87 LEU HG . 34779 1 862 . 1 . 1 91 91 LEU HD11 H 1 0.856 0.003 . 2 . . . . A 87 LEU HD11 . 34779 1 863 . 1 . 1 91 91 LEU HD12 H 1 0.856 0.003 . 2 . . . . A 87 LEU HD12 . 34779 1 864 . 1 . 1 91 91 LEU HD13 H 1 0.856 0.003 . 2 . . . . A 87 LEU HD13 . 34779 1 865 . 1 . 1 91 91 LEU HD21 H 1 0.828 0.005 . 2 . . . . A 87 LEU HD21 . 34779 1 866 . 1 . 1 91 91 LEU HD22 H 1 0.828 0.005 . 2 . . . . A 87 LEU HD22 . 34779 1 867 . 1 . 1 91 91 LEU HD23 H 1 0.828 0.005 . 2 . . . . A 87 LEU HD23 . 34779 1 868 . 1 . 1 91 91 LEU C C 13 176.038 0.000 . 1 . . . . A 87 LEU C . 34779 1 869 . 1 . 1 91 91 LEU CA C 13 54.104 0.097 . 1 . . . . A 87 LEU CA . 34779 1 870 . 1 . 1 91 91 LEU CB C 13 44.421 0.086 . 1 . . . . A 87 LEU CB . 34779 1 871 . 1 . 1 91 91 LEU CG C 13 26.918 0.122 . 1 . . . . A 87 LEU CG . 34779 1 872 . 1 . 1 91 91 LEU CD1 C 13 23.923 0.078 . 2 . . . . A 87 LEU CD1 . 34779 1 873 . 1 . 1 91 91 LEU CD2 C 13 25.491 0.100 . 2 . . . . A 87 LEU CD2 . 34779 1 874 . 1 . 1 91 91 LEU N N 15 129.809 0.017 . 1 . . . . A 87 LEU N . 34779 1 875 . 1 . 1 92 92 LEU H H 1 9.465 0.004 . 1 . . . . A 88 LEU H . 34779 1 876 . 1 . 1 92 92 LEU HA H 1 4.506 0.005 . 1 . . . . A 88 LEU HA . 34779 1 877 . 1 . 1 92 92 LEU HB2 H 1 1.745 0.006 . 2 . . . . A 88 LEU HB2 . 34779 1 878 . 1 . 1 92 92 LEU HB3 H 1 1.552 0.012 . 2 . . . . A 88 LEU HB3 . 34779 1 879 . 1 . 1 92 92 LEU HG H 1 1.750 0.007 . 1 . . . . A 88 LEU HG . 34779 1 880 . 1 . 1 92 92 LEU HD11 H 1 0.693 0.006 . 2 . . . . A 88 LEU HD11 . 34779 1 881 . 1 . 1 92 92 LEU HD12 H 1 0.693 0.006 . 2 . . . . A 88 LEU HD12 . 34779 1 882 . 1 . 1 92 92 LEU HD13 H 1 0.693 0.006 . 2 . . . . A 88 LEU HD13 . 34779 1 883 . 1 . 1 92 92 LEU HD21 H 1 0.756 0.008 . 2 . . . . A 88 LEU HD21 . 34779 1 884 . 1 . 1 92 92 LEU HD22 H 1 0.756 0.008 . 2 . . . . A 88 LEU HD22 . 34779 1 885 . 1 . 1 92 92 LEU HD23 H 1 0.756 0.008 . 2 . . . . A 88 LEU HD23 . 34779 1 886 . 1 . 1 92 92 LEU C C 13 176.538 0.000 . 1 . . . . A 88 LEU C . 34779 1 887 . 1 . 1 92 92 LEU CA C 13 56.316 0.134 . 1 . . . . A 88 LEU CA . 34779 1 888 . 1 . 1 92 92 LEU CB C 13 43.468 0.181 . 1 . . . . A 88 LEU CB . 34779 1 889 . 1 . 1 92 92 LEU CG C 13 27.468 0.072 . 1 . . . . A 88 LEU CG . 34779 1 890 . 1 . 1 92 92 LEU CD1 C 13 24.828 0.102 . 2 . . . . A 88 LEU CD1 . 34779 1 891 . 1 . 1 92 92 LEU CD2 C 13 25.916 0.138 . 2 . . . . A 88 LEU CD2 . 34779 1 892 . 1 . 1 92 92 LEU N N 15 126.596 0.017 . 1 . . . . A 88 LEU N . 34779 1 893 . 1 . 1 93 93 LYS H H 1 9.481 0.004 . 1 . . . . A 89 LYS H . 34779 1 894 . 1 . 1 93 93 LYS HA H 1 4.598 0.006 . 1 . . . . A 89 LYS HA . 34779 1 895 . 1 . 1 93 93 LYS HB2 H 1 1.676 0.003 . 2 . . . . A 89 LYS HB2 . 34779 1 896 . 1 . 1 93 93 LYS HB3 H 1 1.824 0.006 . 2 . . . . A 89 LYS HB3 . 34779 1 897 . 1 . 1 93 93 LYS HG2 H 1 1.416 0.005 . 2 . . . . A 89 LYS HG2 . 34779 1 898 . 1 . 1 93 93 LYS HG3 H 1 1.416 0.005 . 2 . . . . A 89 LYS HG3 . 34779 1 899 . 1 . 1 93 93 LYS HD2 H 1 1.692 0.005 . 2 . . . . A 89 LYS HD2 . 34779 1 900 . 1 . 1 93 93 LYS HD3 H 1 1.692 0.005 . 2 . . . . A 89 LYS HD3 . 34779 1 901 . 1 . 1 93 93 LYS HE2 H 1 2.983 0.007 . 2 . . . . A 89 LYS HE2 . 34779 1 902 . 1 . 1 93 93 LYS HE3 H 1 2.983 0.007 . 2 . . . . A 89 LYS HE3 . 34779 1 903 . 1 . 1 93 93 LYS C C 13 176.572 0.000 . 1 . . . . A 89 LYS C . 34779 1 904 . 1 . 1 93 93 LYS CA C 13 54.988 0.062 . 1 . . . . A 89 LYS CA . 34779 1 905 . 1 . 1 93 93 LYS CB C 13 32.937 0.060 . 1 . . . . A 89 LYS CB . 34779 1 906 . 1 . 1 93 93 LYS CG C 13 24.440 0.041 . 1 . . . . A 89 LYS CG . 34779 1 907 . 1 . 1 93 93 LYS CD C 13 27.940 0.060 . 1 . . . . A 89 LYS CD . 34779 1 908 . 1 . 1 93 93 LYS CE C 13 42.008 0.030 . 1 . . . . A 89 LYS CE . 34779 1 909 . 1 . 1 93 93 LYS N N 15 123.780 0.014 . 1 . . . . A 89 LYS N . 34779 1 910 . 1 . 1 94 94 SER H H 1 7.872 0.004 . 1 . . . . A 90 SER H . 34779 1 911 . 1 . 1 94 94 SER HA H 1 4.682 0.007 . 1 . . . . A 90 SER HA . 34779 1 912 . 1 . 1 94 94 SER HB2 H 1 3.818 0.005 . 2 . . . . A 90 SER HB2 . 34779 1 913 . 1 . 1 94 94 SER HB3 H 1 3.870 0.004 . 2 . . . . A 90 SER HB3 . 34779 1 914 . 1 . 1 94 94 SER C C 13 171.912 0.000 . 1 . . . . A 90 SER C . 34779 1 915 . 1 . 1 94 94 SER CA C 13 58.028 0.120 . 1 . . . . A 90 SER CA . 34779 1 916 . 1 . 1 94 94 SER CB C 13 65.587 0.066 . 1 . . . . A 90 SER CB . 34779 1 917 . 1 . 1 94 94 SER N N 15 112.817 0.017 . 1 . . . . A 90 SER N . 34779 1 918 . 1 . 1 95 95 ILE H H 1 8.368 0.003 . 1 . . . . A 91 ILE H . 34779 1 919 . 1 . 1 95 95 ILE HA H 1 4.965 0.006 . 1 . . . . A 91 ILE HA . 34779 1 920 . 1 . 1 95 95 ILE HB H 1 1.983 0.007 . 1 . . . . A 91 ILE HB . 34779 1 921 . 1 . 1 95 95 ILE HG12 H 1 0.819 0.006 . 2 . . . . A 91 ILE HG12 . 34779 1 922 . 1 . 1 95 95 ILE HG13 H 1 1.610 0.006 . 2 . . . . A 91 ILE HG13 . 34779 1 923 . 1 . 1 95 95 ILE HG21 H 1 0.735 0.004 . 1 . . . . A 91 ILE HG21 . 34779 1 924 . 1 . 1 95 95 ILE HG22 H 1 0.735 0.004 . 1 . . . . A 91 ILE HG22 . 34779 1 925 . 1 . 1 95 95 ILE HG23 H 1 0.735 0.004 . 1 . . . . A 91 ILE HG23 . 34779 1 926 . 1 . 1 95 95 ILE HD11 H 1 0.615 0.002 . 1 . . . . A 91 ILE HD11 . 34779 1 927 . 1 . 1 95 95 ILE HD12 H 1 0.615 0.002 . 1 . . . . A 91 ILE HD12 . 34779 1 928 . 1 . 1 95 95 ILE HD13 H 1 0.615 0.002 . 1 . . . . A 91 ILE HD13 . 34779 1 929 . 1 . 1 95 95 ILE C C 13 171.864 0.000 . 1 . . . . A 91 ILE C . 34779 1 930 . 1 . 1 95 95 ILE CA C 13 61.326 0.092 . 1 . . . . A 91 ILE CA . 34779 1 931 . 1 . 1 95 95 ILE CB C 13 40.019 0.056 . 1 . . . . A 91 ILE CB . 34779 1 932 . 1 . 1 95 95 ILE CG1 C 13 28.733 0.122 . 1 . . . . A 91 ILE CG1 . 34779 1 933 . 1 . 1 95 95 ILE CG2 C 13 14.731 0.077 . 1 . . . . A 91 ILE CG2 . 34779 1 934 . 1 . 1 95 95 ILE CD1 C 13 15.827 0.063 . 1 . . . . A 91 ILE CD1 . 34779 1 935 . 1 . 1 95 95 ILE N N 15 118.517 0.022 . 1 . . . . A 91 ILE N . 34779 1 936 . 1 . 1 96 96 ASN H H 1 8.847 0.004 . 1 . . . . A 92 ASN H . 34779 1 937 . 1 . 1 96 96 ASN HA H 1 5.018 0.005 . 1 . . . . A 92 ASN HA . 34779 1 938 . 1 . 1 96 96 ASN HB2 H 1 2.572 0.003 . 2 . . . . A 92 ASN HB2 . 34779 1 939 . 1 . 1 96 96 ASN HB3 H 1 2.684 0.002 . 2 . . . . A 92 ASN HB3 . 34779 1 940 . 1 . 1 96 96 ASN HD21 H 1 7.335 0.000 . 1 . . . . A 92 ASN HD21 . 34779 1 941 . 1 . 1 96 96 ASN HD22 H 1 7.455 0.000 . 1 . . . . A 92 ASN HD22 . 34779 1 942 . 1 . 1 96 96 ASN C C 13 173.405 0.000 . 1 . . . . A 92 ASN C . 34779 1 943 . 1 . 1 96 96 ASN CA C 13 52.546 0.075 . 1 . . . . A 92 ASN CA . 34779 1 944 . 1 . 1 96 96 ASN CB C 13 42.475 0.059 . 1 . . . . A 92 ASN CB . 34779 1 945 . 1 . 1 96 96 ASN N N 15 122.395 0.078 . 1 . . . . A 92 ASN N . 34779 1 946 . 1 . 1 96 96 ASN ND2 N 15 114.063 0.000 . 1 . . . . A 92 ASN ND2 . 34779 1 947 . 1 . 1 97 97 VAL H H 1 8.852 0.005 . 1 . . . . A 93 VAL H . 34779 1 948 . 1 . 1 97 97 VAL HA H 1 4.493 0.004 . 1 . . . . A 93 VAL HA . 34779 1 949 . 1 . 1 97 97 VAL HB H 1 1.998 0.009 . 1 . . . . A 93 VAL HB . 34779 1 950 . 1 . 1 97 97 VAL HG11 H 1 1.003 0.006 . 2 . . . . A 93 VAL HG11 . 34779 1 951 . 1 . 1 97 97 VAL HG12 H 1 1.003 0.006 . 2 . . . . A 93 VAL HG12 . 34779 1 952 . 1 . 1 97 97 VAL HG13 H 1 1.003 0.006 . 2 . . . . A 93 VAL HG13 . 34779 1 953 . 1 . 1 97 97 VAL HG21 H 1 0.963 0.003 . 2 . . . . A 93 VAL HG21 . 34779 1 954 . 1 . 1 97 97 VAL HG22 H 1 0.963 0.003 . 2 . . . . A 93 VAL HG22 . 34779 1 955 . 1 . 1 97 97 VAL HG23 H 1 0.963 0.003 . 2 . . . . A 93 VAL HG23 . 34779 1 956 . 1 . 1 97 97 VAL C C 13 176.926 0.000 . 1 . . . . A 93 VAL C . 34779 1 957 . 1 . 1 97 97 VAL CA C 13 63.163 0.086 . 1 . . . . A 93 VAL CA . 34779 1 958 . 1 . 1 97 97 VAL CB C 13 32.309 0.133 . 1 . . . . A 93 VAL CB . 34779 1 959 . 1 . 1 97 97 VAL CG1 C 13 21.259 0.254 . 2 . . . . A 93 VAL CG1 . 34779 1 960 . 1 . 1 97 97 VAL CG2 C 13 22.477 0.055 . 2 . . . . A 93 VAL CG2 . 34779 1 961 . 1 . 1 97 97 VAL N N 15 123.462 0.035 . 1 . . . . A 93 VAL N . 34779 1 962 . 1 . 1 98 98 THR H H 1 8.915 0.004 . 1 . . . . A 94 THR H . 34779 1 963 . 1 . 1 98 98 THR HA H 1 4.347 0.004 . 1 . . . . A 94 THR HA . 34779 1 964 . 1 . 1 98 98 THR HB H 1 4.113 0.003 . 1 . . . . A 94 THR HB . 34779 1 965 . 1 . 1 98 98 THR HG21 H 1 1.119 0.004 . 1 . . . . A 94 THR HG21 . 34779 1 966 . 1 . 1 98 98 THR HG22 H 1 1.119 0.004 . 1 . . . . A 94 THR HG22 . 34779 1 967 . 1 . 1 98 98 THR HG23 H 1 1.119 0.004 . 1 . . . . A 94 THR HG23 . 34779 1 968 . 1 . 1 98 98 THR C C 13 174.615 0.000 . 1 . . . . A 94 THR C . 34779 1 969 . 1 . 1 98 98 THR CA C 13 61.791 0.084 . 1 . . . . A 94 THR CA . 34779 1 970 . 1 . 1 98 98 THR CB C 13 69.830 0.074 . 1 . . . . A 94 THR CB . 34779 1 971 . 1 . 1 98 98 THR CG2 C 13 22.034 0.144 . 1 . . . . A 94 THR CG2 . 34779 1 972 . 1 . 1 98 98 THR N N 15 122.413 0.020 . 1 . . . . A 94 THR N . 34779 1 973 . 1 . 1 99 99 GLN H H 1 8.272 0.006 . 1 . . . . A 95 GLN H . 34779 1 974 . 1 . 1 99 99 GLN HA H 1 4.387 0.010 . 1 . . . . A 95 GLN HA . 34779 1 975 . 1 . 1 99 99 GLN HB2 H 1 2.005 0.010 . 2 . . . . A 95 GLN HB2 . 34779 1 976 . 1 . 1 99 99 GLN HB3 H 1 1.939 0.008 . 2 . . . . A 95 GLN HB3 . 34779 1 977 . 1 . 1 99 99 GLN HG2 H 1 2.345 0.005 . 2 . . . . A 95 GLN HG2 . 34779 1 978 . 1 . 1 99 99 GLN HG3 H 1 2.345 0.005 . 2 . . . . A 95 GLN HG3 . 34779 1 979 . 1 . 1 99 99 GLN CA C 13 55.964 0.213 . 1 . . . . A 95 GLN CA . 34779 1 980 . 1 . 1 99 99 GLN CB C 13 30.072 0.197 . 1 . . . . A 95 GLN CB . 34779 1 981 . 1 . 1 99 99 GLN CG C 13 33.878 0.038 . 1 . . . . A 95 GLN CG . 34779 1 982 . 1 . 1 99 99 GLN N N 15 122.881 0.051 . 1 . . . . A 95 GLN N . 34779 1 983 . 1 . 1 100 100 SER H H 1 8.190 0.005 . 1 . . . . A 96 SER H . 34779 1 984 . 1 . 1 100 100 SER HA H 1 4.176 0.004 . 1 . . . . A 96 SER HA . 34779 1 985 . 1 . 1 100 100 SER HB2 H 1 3.735 0.007 . 2 . . . . A 96 SER HB2 . 34779 1 986 . 1 . 1 100 100 SER HB3 H 1 3.776 0.007 . 2 . . . . A 96 SER HB3 . 34779 1 987 . 1 . 1 100 100 SER CA C 13 60.168 0.030 . 1 . . . . A 96 SER CA . 34779 1 988 . 1 . 1 100 100 SER CB C 13 64.586 0.045 . 1 . . . . A 96 SER CB . 34779 1 989 . 1 . 1 100 100 SER N N 15 124.522 0.027 . 1 . . . . A 96 SER N . 34779 1 stop_ save_