data_34693 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34693 _Entry.Title ; Solution structure of the complex between plasmodial ZNHIT3 and NUFIP1 proteins ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-11-30 _Entry.Accession_date 2021-11-30 _Entry.Last_release_date 2021-12-02 _Entry.Original_release_date 2021-12-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 M. Chagot M. E. . . 34693 2 M. Quinternet M. . . . 34693 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'JAW HELICES' . 34693 'PAC-HIT FOLD' . 34693 'SIGNALING PROTEIN' . 34693 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34693 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 469 34693 '15N chemical shifts' 102 34693 '1H chemical shifts' 739 34693 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 . . 2022-06-09 2021-11-30 update BMRB 'update entry citation' 34693 1 . . 2022-03-28 2021-11-30 original author 'original release' 34693 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7QDW 'BMRB Entry Tracking System' 34693 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34693 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35315277 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Analysis of the Plasmodial Proteins ZNHIT3 and NUFIP1 Provides Insights into the Selectivity of a Conserved Interaction ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 61 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 479 _Citation.Page_last 493 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Chagot M. E. . . 34693 1 2 A. Boutilliat A. . . . 34693 1 3 A. Kriznik A. . . . 34693 1 4 M. Quinternet M. . . . 34693 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34693 _Assembly.ID 1 _Assembly.Name 'Zinc finger protein, putative, NUFIP1 domain-containing 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 . . . . . . 34693 1 2 unit_2 2 $entity_2 B B yes . . . . . . 34693 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34693 _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 ; GPHMDYDMLTEEQKKKLKED HTLKILLKNNYVREVFKQFT LSNDKIGYLSHYINDPTIVQ VIDHIMKTIDDT ; _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 72 _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 8578.843 _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 1 261 GLY . 34693 1 2 262 PRO . 34693 1 3 263 HIS . 34693 1 4 264 MET . 34693 1 5 265 ASP . 34693 1 6 266 TYR . 34693 1 7 267 ASP . 34693 1 8 268 MET . 34693 1 9 269 LEU . 34693 1 10 270 THR . 34693 1 11 271 GLU . 34693 1 12 272 GLU . 34693 1 13 273 GLN . 34693 1 14 274 LYS . 34693 1 15 275 LYS . 34693 1 16 276 LYS . 34693 1 17 277 LEU . 34693 1 18 278 LYS . 34693 1 19 279 GLU . 34693 1 20 280 ASP . 34693 1 21 281 HIS . 34693 1 22 282 THR . 34693 1 23 283 LEU . 34693 1 24 284 LYS . 34693 1 25 285 ILE . 34693 1 26 286 LEU . 34693 1 27 287 LEU . 34693 1 28 288 LYS . 34693 1 29 289 ASN . 34693 1 30 290 ASN . 34693 1 31 291 TYR . 34693 1 32 292 VAL . 34693 1 33 293 ARG . 34693 1 34 294 GLU . 34693 1 35 295 VAL . 34693 1 36 296 PHE . 34693 1 37 297 LYS . 34693 1 38 298 GLN . 34693 1 39 299 PHE . 34693 1 40 300 THR . 34693 1 41 301 LEU . 34693 1 42 302 SER . 34693 1 43 303 ASN . 34693 1 44 304 ASP . 34693 1 45 305 LYS . 34693 1 46 306 ILE . 34693 1 47 307 GLY . 34693 1 48 308 TYR . 34693 1 49 309 LEU . 34693 1 50 310 SER . 34693 1 51 311 HIS . 34693 1 52 312 TYR . 34693 1 53 313 ILE . 34693 1 54 314 ASN . 34693 1 55 315 ASP . 34693 1 56 316 PRO . 34693 1 57 317 THR . 34693 1 58 318 ILE . 34693 1 59 319 VAL . 34693 1 60 320 GLN . 34693 1 61 321 VAL . 34693 1 62 322 ILE . 34693 1 63 323 ASP . 34693 1 64 324 HIS . 34693 1 65 325 ILE . 34693 1 66 326 MET . 34693 1 67 327 LYS . 34693 1 68 328 THR . 34693 1 69 329 ILE . 34693 1 70 330 ASP . 34693 1 71 331 ASP . 34693 1 72 332 THR . 34693 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 34693 1 . PRO 2 2 34693 1 . HIS 3 3 34693 1 . MET 4 4 34693 1 . ASP 5 5 34693 1 . TYR 6 6 34693 1 . ASP 7 7 34693 1 . MET 8 8 34693 1 . LEU 9 9 34693 1 . THR 10 10 34693 1 . GLU 11 11 34693 1 . GLU 12 12 34693 1 . GLN 13 13 34693 1 . LYS 14 14 34693 1 . LYS 15 15 34693 1 . LYS 16 16 34693 1 . LEU 17 17 34693 1 . LYS 18 18 34693 1 . GLU 19 19 34693 1 . ASP 20 20 34693 1 . HIS 21 21 34693 1 . THR 22 22 34693 1 . LEU 23 23 34693 1 . LYS 24 24 34693 1 . ILE 25 25 34693 1 . LEU 26 26 34693 1 . LEU 27 27 34693 1 . LYS 28 28 34693 1 . ASN 29 29 34693 1 . ASN 30 30 34693 1 . TYR 31 31 34693 1 . VAL 32 32 34693 1 . ARG 33 33 34693 1 . GLU 34 34 34693 1 . VAL 35 35 34693 1 . PHE 36 36 34693 1 . LYS 37 37 34693 1 . GLN 38 38 34693 1 . PHE 39 39 34693 1 . THR 40 40 34693 1 . LEU 41 41 34693 1 . SER 42 42 34693 1 . ASN 43 43 34693 1 . ASP 44 44 34693 1 . LYS 45 45 34693 1 . ILE 46 46 34693 1 . GLY 47 47 34693 1 . TYR 48 48 34693 1 . LEU 49 49 34693 1 . SER 50 50 34693 1 . HIS 51 51 34693 1 . TYR 52 52 34693 1 . ILE 53 53 34693 1 . ASN 54 54 34693 1 . ASP 55 55 34693 1 . PRO 56 56 34693 1 . THR 57 57 34693 1 . ILE 58 58 34693 1 . VAL 59 59 34693 1 . GLN 60 60 34693 1 . VAL 61 61 34693 1 . ILE 62 62 34693 1 . ASP 63 63 34693 1 . HIS 64 64 34693 1 . ILE 65 65 34693 1 . MET 66 66 34693 1 . LYS 67 67 34693 1 . THR 68 68 34693 1 . ILE 69 69 34693 1 . ASP 70 70 34693 1 . ASP 71 71 34693 1 . THR 72 72 34693 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34693 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DIYTYEKKLIKSIEYITKNK FFDDS ; _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 25 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3107.529 _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 1 817 ASP . 34693 2 2 818 ILE . 34693 2 3 819 TYR . 34693 2 4 820 THR . 34693 2 5 821 TYR . 34693 2 6 822 GLU . 34693 2 7 823 LYS . 34693 2 8 824 LYS . 34693 2 9 825 LEU . 34693 2 10 826 ILE . 34693 2 11 827 LYS . 34693 2 12 828 SER . 34693 2 13 829 ILE . 34693 2 14 830 GLU . 34693 2 15 831 TYR . 34693 2 16 832 ILE . 34693 2 17 833 THR . 34693 2 18 834 LYS . 34693 2 19 835 ASN . 34693 2 20 836 LYS . 34693 2 21 837 PHE . 34693 2 22 838 PHE . 34693 2 23 839 ASP . 34693 2 24 840 ASP . 34693 2 25 841 SER . 34693 2 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 . ASP 1 1 34693 2 . ILE 2 2 34693 2 . TYR 3 3 34693 2 . THR 4 4 34693 2 . TYR 5 5 34693 2 . GLU 6 6 34693 2 . LYS 7 7 34693 2 . LYS 8 8 34693 2 . LEU 9 9 34693 2 . ILE 10 10 34693 2 . LYS 11 11 34693 2 . SER 12 12 34693 2 . ILE 13 13 34693 2 . GLU 14 14 34693 2 . TYR 15 15 34693 2 . ILE 16 16 34693 2 . THR 17 17 34693 2 . LYS 18 18 34693 2 . ASN 19 19 34693 2 . LYS 20 20 34693 2 . PHE 21 21 34693 2 . PHE 22 22 34693 2 . ASP 23 23 34693 2 . ASP 24 24 34693 2 . SER 25 25 34693 2 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 34693 _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 . 36329 organism . 'Plasmodium falciparum (isolate 3D7)' 'Plasmodium falciparum' . . Eukaryota . Plasmodium falciparum 'isolate 3D7' . . . . . . . . . . PF3D7_0916900 . 34693 1 2 2 $entity_2 . 36329 organism . 'Plasmodium falciparum (isolate 3D7)' 'Plasmodium falciparum' . . Eukaryota . Plasmodium falciparum 'isolate 3D7' . . . . . . . . . . PF3D7_1473900 . 34693 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 34693 _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 . . . . . . . . . . . . 34693 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 34693 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34693 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.7 mM [U-100% 13C; U-100% 15N] pfZNHIT3, 0.7 mM [U-100% 13C; U-100% 15N] pfNUFIP1, 150 mM sodium chloride, 10 mM sodium phosphate, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 pfZNHIT3 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.7 . . mM . . . . 34693 1 2 pfNUFIP1 '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 0.7 . . mM . . . . 34693 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 34693 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 34693 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34693 _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' 150 . mM 34693 1 pH 6.4 . pH 34693 1 pressure 1 . atm 34693 1 temperature 293 . K 34693 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34693 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 3.6.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34693 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34693 1 processing . 34693 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34693 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34693 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34693 2 'peak picking' . 34693 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34693 _Software.ID 3 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yang Shen, and Ad Bax' . . 34693 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34693 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34693 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34693 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34693 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34693 _Software.ID 5 _Software.Type . _Software.Name Amber _Software.Version 14 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34693 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34693 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 34693 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 34693 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 34693 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 34693 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34693 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34693 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34693 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34693 1 5 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34693 1 6 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34693 1 7 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34693 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34693 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34693 1 10 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34693 1 11 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34693 1 12 '3D HNCO ECosy' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34693 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34693 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34693 1 15 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34693 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34693 1 17 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34693 1 18 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34693 1 19 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34693 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 34693 _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 . . . . . 34693 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34693 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34693 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 34693 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 34693 1 2 '3D HNCACB' . . . 34693 1 3 '3D CBCA(CO)NH' . . . 34693 1 4 '3D HNCO' . . . 34693 1 5 '3D HNCACO' . . . 34693 1 6 '3D H(CCO)NH' . . . 34693 1 7 '3D C(CO)NH' . . . 34693 1 8 '3D HBHA(CO)NH' . . . 34693 1 9 '3D HCCH-TOCSY' . . . 34693 1 10 '3D HCCH-COSY' . . . 34693 1 11 '3D HNHA' . . . 34693 1 12 '3D HNCO ECosy' . . . 34693 1 13 '3D 1H-13C NOESY aromatic' . . . 34693 1 14 '3D 1H-13C NOESY aliphatic' . . . 34693 1 15 '2D 1H-1H NOESY' . . . 34693 1 16 '3D 1H-15N NOESY' . . . 34693 1 17 '2D 1H-13C HSQC aliphatic' . . . 34693 1 18 '2D 1H-13C HSQC aromatic' . . . 34693 1 19 '2D 1H-15N HSQC' . . . 34693 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.949 0.020 . 1 . . . . A 261 GLY HA2 . 34693 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.949 0.020 . 1 . . . . A 261 GLY HA3 . 34693 1 3 . 1 . 1 1 1 GLY CA C 13 43.179 0.3 . 1 . . . . A 261 GLY CA . 34693 1 4 . 1 . 1 2 2 PRO HA H 1 4.407 0.020 . 1 . . . . A 262 PRO HA . 34693 1 5 . 1 . 1 2 2 PRO HB2 H 1 1.805 0.020 . 2 . . . . A 262 PRO HB2 . 34693 1 6 . 1 . 1 2 2 PRO HB3 H 1 2.215 0.020 . 2 . . . . A 262 PRO HB3 . 34693 1 7 . 1 . 1 2 2 PRO HG2 H 1 1.898 0.020 . 2 . . . . A 262 PRO HG2 . 34693 1 8 . 1 . 1 2 2 PRO HG3 H 1 1.955 0.020 . 2 . . . . A 262 PRO HG3 . 34693 1 9 . 1 . 1 2 2 PRO HD2 H 1 3.521 0.020 . 1 . . . . A 262 PRO HD2 . 34693 1 10 . 1 . 1 2 2 PRO HD3 H 1 3.521 0.020 . 1 . . . . A 262 PRO HD3 . 34693 1 11 . 1 . 1 2 2 PRO C C 13 176.559 0.3 . 1 . . . . A 262 PRO C . 34693 1 12 . 1 . 1 2 2 PRO CA C 13 62.904 0.3 . 1 . . . . A 262 PRO CA . 34693 1 13 . 1 . 1 2 2 PRO CB C 13 32.263 0.3 . 1 . . . . A 262 PRO CB . 34693 1 14 . 1 . 1 2 2 PRO CG C 13 26.897 0.3 . 1 . . . . A 262 PRO CG . 34693 1 15 . 1 . 1 2 2 PRO CD C 13 49.556 0.3 . 1 . . . . A 262 PRO CD . 34693 1 16 . 1 . 1 3 3 HIS H H 1 8.623 0.020 . 1 . . . . A 263 HIS H . 34693 1 17 . 1 . 1 3 3 HIS HA H 1 4.597 0.020 . 1 . . . . A 263 HIS HA . 34693 1 18 . 1 . 1 3 3 HIS HB2 H 1 3.123 0.020 . 1 . . . . A 263 HIS HB2 . 34693 1 19 . 1 . 1 3 3 HIS HB3 H 1 3.123 0.020 . 1 . . . . A 263 HIS HB3 . 34693 1 20 . 1 . 1 3 3 HIS C C 13 174.738 0.3 . 1 . . . . A 263 HIS C . 34693 1 21 . 1 . 1 3 3 HIS CA C 13 55.725 0.3 . 1 . . . . A 263 HIS CA . 34693 1 22 . 1 . 1 3 3 HIS CB C 13 29.499 0.3 . 1 . . . . A 263 HIS CB . 34693 1 23 . 1 . 1 3 3 HIS N N 15 119.663 0.3 . 1 . . . . A 263 HIS N . 34693 1 24 . 1 . 1 4 4 MET H H 1 8.389 0.020 . 1 . . . . A 264 MET H . 34693 1 25 . 1 . 1 4 4 MET HA H 1 4.386 0.020 . 1 . . . . A 264 MET HA . 34693 1 26 . 1 . 1 4 4 MET HB2 H 1 1.816 0.020 . 1 . . . . A 264 MET HB2 . 34693 1 27 . 1 . 1 4 4 MET HB3 H 1 1.816 0.020 . 1 . . . . A 264 MET HB3 . 34693 1 28 . 1 . 1 4 4 MET HG2 H 1 2.393 0.020 . 1 . . . . A 264 MET HG2 . 34693 1 29 . 1 . 1 4 4 MET HG3 H 1 2.393 0.020 . 1 . . . . A 264 MET HG3 . 34693 1 30 . 1 . 1 4 4 MET HE1 H 1 2.011 0.020 . 1 . . . . A 264 MET HE1 . 34693 1 31 . 1 . 1 4 4 MET HE2 H 1 2.011 0.020 . 1 . . . . A 264 MET HE2 . 34693 1 32 . 1 . 1 4 4 MET HE3 H 1 2.011 0.020 . 1 . . . . A 264 MET HE3 . 34693 1 33 . 1 . 1 4 4 MET C C 13 175.202 0.3 . 1 . . . . A 264 MET C . 34693 1 34 . 1 . 1 4 4 MET CA C 13 54.942 0.3 . 1 . . . . A 264 MET CA . 34693 1 35 . 1 . 1 4 4 MET CB C 13 32.849 0.3 . 1 . . . . A 264 MET CB . 34693 1 36 . 1 . 1 4 4 MET CG C 13 31.762 0.3 . 1 . . . . A 264 MET CG . 34693 1 37 . 1 . 1 4 4 MET CE C 13 16.814 0.3 . 1 . . . . A 264 MET CE . 34693 1 38 . 1 . 1 4 4 MET N N 15 122.681 0.3 . 1 . . . . A 264 MET N . 34693 1 39 . 1 . 1 5 5 ASP H H 1 8.366 0.020 . 1 . . . . A 265 ASP H . 34693 1 40 . 1 . 1 5 5 ASP HA H 1 4.561 0.020 . 1 . . . . A 265 ASP HA . 34693 1 41 . 1 . 1 5 5 ASP HB2 H 1 2.512 0.020 . 2 . . . . A 265 ASP HB2 . 34693 1 42 . 1 . 1 5 5 ASP HB3 H 1 2.650 0.020 . 2 . . . . A 265 ASP HB3 . 34693 1 43 . 1 . 1 5 5 ASP C C 13 176.032 0.3 . 1 . . . . A 265 ASP C . 34693 1 44 . 1 . 1 5 5 ASP CA C 13 53.895 0.3 . 1 . . . . A 265 ASP CA . 34693 1 45 . 1 . 1 5 5 ASP CB C 13 41.133 0.3 . 1 . . . . A 265 ASP CB . 34693 1 46 . 1 . 1 5 5 ASP N N 15 121.969 0.3 . 1 . . . . A 265 ASP N . 34693 1 47 . 1 . 1 6 6 TYR H H 1 8.145 0.020 . 1 . . . . A 266 TYR H . 34693 1 48 . 1 . 1 6 6 TYR HA H 1 4.475 0.020 . 1 . . . . A 266 TYR HA . 34693 1 49 . 1 . 1 6 6 TYR HB2 H 1 2.900 0.020 . 2 . . . . A 266 TYR HB2 . 34693 1 50 . 1 . 1 6 6 TYR HB3 H 1 3.114 0.020 . 2 . . . . A 266 TYR HB3 . 34693 1 51 . 1 . 1 6 6 TYR HD1 H 1 7.094 0.020 . 1 . . . . A 266 TYR HD1 . 34693 1 52 . 1 . 1 6 6 TYR HD2 H 1 7.094 0.020 . 1 . . . . A 266 TYR HD2 . 34693 1 53 . 1 . 1 6 6 TYR HE1 H 1 6.784 0.020 . 1 . . . . A 266 TYR HE1 . 34693 1 54 . 1 . 1 6 6 TYR HE2 H 1 6.784 0.020 . 1 . . . . A 266 TYR HE2 . 34693 1 55 . 1 . 1 6 6 TYR C C 13 175.385 0.3 . 1 . . . . A 266 TYR C . 34693 1 56 . 1 . 1 6 6 TYR CA C 13 58.104 0.3 . 1 . . . . A 266 TYR CA . 34693 1 57 . 1 . 1 6 6 TYR CB C 13 38.612 0.3 . 1 . . . . A 266 TYR CB . 34693 1 58 . 1 . 1 6 6 TYR CD1 C 13 133.068 0.3 . 1 . . . . A 266 TYR CD1 . 34693 1 59 . 1 . 1 6 6 TYR CD2 C 13 133.068 0.3 . 1 . . . . A 266 TYR CD2 . 34693 1 60 . 1 . 1 6 6 TYR CE1 C 13 118.292 0.3 . 1 . . . . A 266 TYR CE1 . 34693 1 61 . 1 . 1 6 6 TYR CE2 C 13 118.292 0.3 . 1 . . . . A 266 TYR CE2 . 34693 1 62 . 1 . 1 6 6 TYR N N 15 120.625 0.3 . 1 . . . . A 266 TYR N . 34693 1 63 . 1 . 1 7 7 ASP H H 1 8.349 0.020 . 1 . . . . A 267 ASP H . 34693 1 64 . 1 . 1 7 7 ASP HA H 1 4.536 0.020 . 1 . . . . A 267 ASP HA . 34693 1 65 . 1 . 1 7 7 ASP HB2 H 1 2.563 0.020 . 2 . . . . A 267 ASP HB2 . 34693 1 66 . 1 . 1 7 7 ASP HB3 H 1 2.613 0.020 . 2 . . . . A 267 ASP HB3 . 34693 1 67 . 1 . 1 7 7 ASP C C 13 175.285 0.3 . 1 . . . . A 267 ASP C . 34693 1 68 . 1 . 1 7 7 ASP CA C 13 54.180 0.3 . 1 . . . . A 267 ASP CA . 34693 1 69 . 1 . 1 7 7 ASP CB C 13 41.198 0.3 . 1 . . . . A 267 ASP CB . 34693 1 70 . 1 . 1 7 7 ASP N N 15 120.150 0.3 . 1 . . . . A 267 ASP N . 34693 1 71 . 1 . 1 8 8 MET H H 1 7.636 0.020 . 1 . . . . A 268 MET H . 34693 1 72 . 1 . 1 8 8 MET HA H 1 4.332 0.020 . 1 . . . . A 268 MET HA . 34693 1 73 . 1 . 1 8 8 MET HB2 H 1 1.941 0.020 . 2 . . . . A 268 MET HB2 . 34693 1 74 . 1 . 1 8 8 MET HB3 H 1 1.978 0.020 . 2 . . . . A 268 MET HB3 . 34693 1 75 . 1 . 1 8 8 MET HG2 H 1 2.435 0.020 . 1 . . . . A 268 MET HG2 . 34693 1 76 . 1 . 1 8 8 MET HG3 H 1 2.435 0.020 . 1 . . . . A 268 MET HG3 . 34693 1 77 . 1 . 1 8 8 MET HE1 H 1 1.976 0.020 . 1 . . . . A 268 MET HE1 . 34693 1 78 . 1 . 1 8 8 MET HE2 H 1 1.976 0.020 . 1 . . . . A 268 MET HE2 . 34693 1 79 . 1 . 1 8 8 MET HE3 H 1 1.976 0.020 . 1 . . . . A 268 MET HE3 . 34693 1 80 . 1 . 1 8 8 MET C C 13 175.501 0.3 . 1 . . . . A 268 MET C . 34693 1 81 . 1 . 1 8 8 MET CA C 13 55.084 0.3 . 1 . . . . A 268 MET CA . 34693 1 82 . 1 . 1 8 8 MET CB C 13 33.684 0.3 . 1 . . . . A 268 MET CB . 34693 1 83 . 1 . 1 8 8 MET CG C 13 31.750 0.3 . 1 . . . . A 268 MET CG . 34693 1 84 . 1 . 1 8 8 MET CE C 13 16.994 0.3 . 1 . . . . A 268 MET CE . 34693 1 85 . 1 . 1 8 8 MET N N 15 117.239 0.3 . 1 . . . . A 268 MET N . 34693 1 86 . 1 . 1 9 9 LEU H H 1 8.262 0.020 . 1 . . . . A 269 LEU H . 34693 1 87 . 1 . 1 9 9 LEU HA H 1 4.579 0.020 . 1 . . . . A 269 LEU HA . 34693 1 88 . 1 . 1 9 9 LEU HB2 H 1 1.257 0.020 . 2 . . . . A 269 LEU HB2 . 34693 1 89 . 1 . 1 9 9 LEU HB3 H 1 1.405 0.020 . 2 . . . . A 269 LEU HB3 . 34693 1 90 . 1 . 1 9 9 LEU HG H 1 1.416 0.020 . 1 . . . . A 269 LEU HG . 34693 1 91 . 1 . 1 9 9 LEU HD11 H 1 0.605 0.020 . 2 . . . . A 269 LEU HD11 . 34693 1 92 . 1 . 1 9 9 LEU HD12 H 1 0.605 0.020 . 2 . . . . A 269 LEU HD12 . 34693 1 93 . 1 . 1 9 9 LEU HD13 H 1 0.605 0.020 . 2 . . . . A 269 LEU HD13 . 34693 1 94 . 1 . 1 9 9 LEU HD21 H 1 0.598 0.020 . 2 . . . . A 269 LEU HD21 . 34693 1 95 . 1 . 1 9 9 LEU HD22 H 1 0.598 0.020 . 2 . . . . A 269 LEU HD22 . 34693 1 96 . 1 . 1 9 9 LEU HD23 H 1 0.598 0.020 . 2 . . . . A 269 LEU HD23 . 34693 1 97 . 1 . 1 9 9 LEU C C 13 177.111 0.3 . 1 . . . . A 269 LEU C . 34693 1 98 . 1 . 1 9 9 LEU CA C 13 54.151 0.3 . 1 . . . . A 269 LEU CA . 34693 1 99 . 1 . 1 9 9 LEU CB C 13 43.445 0.3 . 1 . . . . A 269 LEU CB . 34693 1 100 . 1 . 1 9 9 LEU CG C 13 27.228 0.3 . 1 . . . . A 269 LEU CG . 34693 1 101 . 1 . 1 9 9 LEU CD1 C 13 23.844 0.3 . 1 . . . . A 269 LEU CD1 . 34693 1 102 . 1 . 1 9 9 LEU CD2 C 13 25.372 0.3 . 1 . . . . A 269 LEU CD2 . 34693 1 103 . 1 . 1 9 9 LEU N N 15 121.730 0.3 . 1 . . . . A 269 LEU N . 34693 1 104 . 1 . 1 10 10 THR H H 1 8.752 0.020 . 1 . . . . A 270 THR H . 34693 1 105 . 1 . 1 10 10 THR HA H 1 4.319 0.020 . 1 . . . . A 270 THR HA . 34693 1 106 . 1 . 1 10 10 THR HB H 1 4.744 0.020 . 1 . . . . A 270 THR HB . 34693 1 107 . 1 . 1 10 10 THR HG1 H 1 5.842 0.020 . 1 . . . . A 270 THR HG1 . 34693 1 108 . 1 . 1 10 10 THR HG21 H 1 1.237 0.020 . 1 . . . . A 270 THR HG21 . 34693 1 109 . 1 . 1 10 10 THR HG22 H 1 1.237 0.020 . 1 . . . . A 270 THR HG22 . 34693 1 110 . 1 . 1 10 10 THR HG23 H 1 1.237 0.020 . 1 . . . . A 270 THR HG23 . 34693 1 111 . 1 . 1 10 10 THR C C 13 175.451 0.3 . 1 . . . . A 270 THR C . 34693 1 112 . 1 . 1 10 10 THR CA C 13 60.629 0.3 . 1 . . . . A 270 THR CA . 34693 1 113 . 1 . 1 10 10 THR CB C 13 70.848 0.3 . 1 . . . . A 270 THR CB . 34693 1 114 . 1 . 1 10 10 THR CG2 C 13 21.673 0.3 . 1 . . . . A 270 THR CG2 . 34693 1 115 . 1 . 1 10 10 THR N N 15 115.059 0.3 . 1 . . . . A 270 THR N . 34693 1 116 . 1 . 1 11 11 GLU H H 1 9.009 0.020 . 1 . . . . A 271 GLU H . 34693 1 117 . 1 . 1 11 11 GLU HA H 1 3.843 0.020 . 1 . . . . A 271 GLU HA . 34693 1 118 . 1 . 1 11 11 GLU HB2 H 1 2.002 0.020 . 1 . . . . A 271 GLU HB2 . 34693 1 119 . 1 . 1 11 11 GLU HB3 H 1 2.002 0.020 . 1 . . . . A 271 GLU HB3 . 34693 1 120 . 1 . 1 11 11 GLU HG2 H 1 2.338 0.020 . 2 . . . . A 271 GLU HG2 . 34693 1 121 . 1 . 1 11 11 GLU HG3 H 1 2.377 0.020 . 2 . . . . A 271 GLU HG3 . 34693 1 122 . 1 . 1 11 11 GLU C C 13 179.467 0.3 . 1 . . . . A 271 GLU C . 34693 1 123 . 1 . 1 11 11 GLU CA C 13 59.401 0.3 . 1 . . . . A 271 GLU CA . 34693 1 124 . 1 . 1 11 11 GLU CB C 13 28.739 0.3 . 1 . . . . A 271 GLU CB . 34693 1 125 . 1 . 1 11 11 GLU CG C 13 36.222 0.3 . 1 . . . . A 271 GLU CG . 34693 1 126 . 1 . 1 11 11 GLU N N 15 120.230 0.3 . 1 . . . . A 271 GLU N . 34693 1 127 . 1 . 1 12 12 GLU H H 1 8.590 0.020 . 1 . . . . A 272 GLU H . 34693 1 128 . 1 . 1 12 12 GLU HA H 1 3.966 0.020 . 1 . . . . A 272 GLU HA . 34693 1 129 . 1 . 1 12 12 GLU HB2 H 1 1.857 0.020 . 2 . . . . A 272 GLU HB2 . 34693 1 130 . 1 . 1 12 12 GLU HB3 H 1 2.034 0.020 . 2 . . . . A 272 GLU HB3 . 34693 1 131 . 1 . 1 12 12 GLU HG2 H 1 2.240 0.020 . 2 . . . . A 272 GLU HG2 . 34693 1 132 . 1 . 1 12 12 GLU HG3 H 1 2.314 0.020 . 2 . . . . A 272 GLU HG3 . 34693 1 133 . 1 . 1 12 12 GLU C C 13 178.820 0.3 . 1 . . . . A 272 GLU C . 34693 1 134 . 1 . 1 12 12 GLU CA C 13 59.738 0.3 . 1 . . . . A 272 GLU CA . 34693 1 135 . 1 . 1 12 12 GLU CB C 13 29.025 0.3 . 1 . . . . A 272 GLU CB . 34693 1 136 . 1 . 1 12 12 GLU CG C 13 36.577 0.3 . 1 . . . . A 272 GLU CG . 34693 1 137 . 1 . 1 12 12 GLU N N 15 119.327 0.3 . 1 . . . . A 272 GLU N . 34693 1 138 . 1 . 1 13 13 GLN H H 1 7.755 0.020 . 1 . . . . A 273 GLN H . 34693 1 139 . 1 . 1 13 13 GLN HA H 1 3.724 0.020 . 1 . . . . A 273 GLN HA . 34693 1 140 . 1 . 1 13 13 GLN HB2 H 1 1.576 0.020 . 2 . . . . A 273 GLN HB2 . 34693 1 141 . 1 . 1 13 13 GLN HB3 H 1 2.351 0.020 . 2 . . . . A 273 GLN HB3 . 34693 1 142 . 1 . 1 13 13 GLN HG2 H 1 2.473 0.020 . 2 . . . . A 273 GLN HG2 . 34693 1 143 . 1 . 1 13 13 GLN HG3 H 1 2.524 0.020 . 2 . . . . A 273 GLN HG3 . 34693 1 144 . 1 . 1 13 13 GLN HE21 H 1 7.585 0.020 . 1 . . . . A 273 GLN HE21 . 34693 1 145 . 1 . 1 13 13 GLN HE22 H 1 6.643 0.020 . 1 . . . . A 273 GLN HE22 . 34693 1 146 . 1 . 1 13 13 GLN C C 13 177.791 0.3 . 1 . . . . A 273 GLN C . 34693 1 147 . 1 . 1 13 13 GLN CA C 13 59.560 0.3 . 1 . . . . A 273 GLN CA . 34693 1 148 . 1 . 1 13 13 GLN CB C 13 28.440 0.3 . 1 . . . . A 273 GLN CB . 34693 1 149 . 1 . 1 13 13 GLN CG C 13 35.297 0.3 . 1 . . . . A 273 GLN CG . 34693 1 150 . 1 . 1 13 13 GLN CD C 13 179.204 0.3 . 1 . . . . A 273 GLN CD . 34693 1 151 . 1 . 1 13 13 GLN N N 15 120.033 0.3 . 1 . . . . A 273 GLN N . 34693 1 152 . 1 . 1 13 13 GLN NE2 N 15 110.923 0.3 . 1 . . . . A 273 GLN NE2 . 34693 1 153 . 1 . 1 14 14 LYS H H 1 7.930 0.020 . 1 . . . . A 274 LYS H . 34693 1 154 . 1 . 1 14 14 LYS HA H 1 3.347 0.020 . 1 . . . . A 274 LYS HA . 34693 1 155 . 1 . 1 14 14 LYS HB2 H 1 1.579 0.020 . 1 . . . . A 274 LYS HB2 . 34693 1 156 . 1 . 1 14 14 LYS HB3 H 1 1.579 0.020 . 1 . . . . A 274 LYS HB3 . 34693 1 157 . 1 . 1 14 14 LYS HG2 H 1 -0.243 0.020 . 2 . . . . A 274 LYS HG2 . 34693 1 158 . 1 . 1 14 14 LYS HG3 H 1 1.070 0.020 . 2 . . . . A 274 LYS HG3 . 34693 1 159 . 1 . 1 14 14 LYS HD2 H 1 1.263 0.020 . 2 . . . . A 274 LYS HD2 . 34693 1 160 . 1 . 1 14 14 LYS HD3 H 1 1.328 0.020 . 2 . . . . A 274 LYS HD3 . 34693 1 161 . 1 . 1 14 14 LYS HE2 H 1 2.464 0.020 . 2 . . . . A 274 LYS HE2 . 34693 1 162 . 1 . 1 14 14 LYS HE3 H 1 2.516 0.020 . 2 . . . . A 274 LYS HE3 . 34693 1 163 . 1 . 1 14 14 LYS C C 13 178.106 0.3 . 1 . . . . A 274 LYS C . 34693 1 164 . 1 . 1 14 14 LYS CA C 13 60.477 0.3 . 1 . . . . A 274 LYS CA . 34693 1 165 . 1 . 1 14 14 LYS CB C 13 32.422 0.3 . 1 . . . . A 274 LYS CB . 34693 1 166 . 1 . 1 14 14 LYS CG C 13 26.377 0.3 . 1 . . . . A 274 LYS CG . 34693 1 167 . 1 . 1 14 14 LYS CD C 13 30.081 0.3 . 1 . . . . A 274 LYS CD . 34693 1 168 . 1 . 1 14 14 LYS CE C 13 41.884 0.3 . 1 . . . . A 274 LYS CE . 34693 1 169 . 1 . 1 14 14 LYS N N 15 117.800 0.3 . 1 . . . . A 274 LYS N . 34693 1 170 . 1 . 1 15 15 LYS H H 1 7.732 0.020 . 1 . . . . A 275 LYS H . 34693 1 171 . 1 . 1 15 15 LYS HA H 1 3.805 0.020 . 1 . . . . A 275 LYS HA . 34693 1 172 . 1 . 1 15 15 LYS HB2 H 1 1.770 0.020 . 2 . . . . A 275 LYS HB2 . 34693 1 173 . 1 . 1 15 15 LYS HB3 H 1 1.828 0.020 . 2 . . . . A 275 LYS HB3 . 34693 1 174 . 1 . 1 15 15 LYS HG2 H 1 1.195 0.020 . 2 . . . . A 275 LYS HG2 . 34693 1 175 . 1 . 1 15 15 LYS HG3 H 1 1.370 0.020 . 2 . . . . A 275 LYS HG3 . 34693 1 176 . 1 . 1 15 15 LYS HD2 H 1 1.606 0.020 . 1 . . . . A 275 LYS HD2 . 34693 1 177 . 1 . 1 15 15 LYS HD3 H 1 1.606 0.020 . 1 . . . . A 275 LYS HD3 . 34693 1 178 . 1 . 1 15 15 LYS HE2 H 1 2.932 0.020 . 1 . . . . A 275 LYS HE2 . 34693 1 179 . 1 . 1 15 15 LYS HE3 H 1 2.932 0.020 . 1 . . . . A 275 LYS HE3 . 34693 1 180 . 1 . 1 15 15 LYS C C 13 177.807 0.3 . 1 . . . . A 275 LYS C . 34693 1 181 . 1 . 1 15 15 LYS CA C 13 59.611 0.3 . 1 . . . . A 275 LYS CA . 34693 1 182 . 1 . 1 15 15 LYS CB C 13 32.486 0.3 . 1 . . . . A 275 LYS CB . 34693 1 183 . 1 . 1 15 15 LYS CG C 13 24.814 0.3 . 1 . . . . A 275 LYS CG . 34693 1 184 . 1 . 1 15 15 LYS CD C 13 29.672 0.3 . 1 . . . . A 275 LYS CD . 34693 1 185 . 1 . 1 15 15 LYS CE C 13 41.894 0.3 . 1 . . . . A 275 LYS CE . 34693 1 186 . 1 . 1 15 15 LYS N N 15 119.250 0.3 . 1 . . . . A 275 LYS N . 34693 1 187 . 1 . 1 16 16 LYS H H 1 7.803 0.020 . 1 . . . . A 276 LYS H . 34693 1 188 . 1 . 1 16 16 LYS HA H 1 3.886 0.020 . 1 . . . . A 276 LYS HA . 34693 1 189 . 1 . 1 16 16 LYS HB2 H 1 1.661 0.020 . 2 . . . . A 276 LYS HB2 . 34693 1 190 . 1 . 1 16 16 LYS HB3 H 1 1.828 0.020 . 2 . . . . A 276 LYS HB3 . 34693 1 191 . 1 . 1 16 16 LYS HG2 H 1 1.430 0.020 . 1 . . . . A 276 LYS HG2 . 34693 1 192 . 1 . 1 16 16 LYS HG3 H 1 1.430 0.020 . 1 . . . . A 276 LYS HG3 . 34693 1 193 . 1 . 1 16 16 LYS HD2 H 1 1.607 0.020 . 1 . . . . A 276 LYS HD2 . 34693 1 194 . 1 . 1 16 16 LYS HD3 H 1 1.607 0.020 . 1 . . . . A 276 LYS HD3 . 34693 1 195 . 1 . 1 16 16 LYS HE2 H 1 2.966 0.020 . 1 . . . . A 276 LYS HE2 . 34693 1 196 . 1 . 1 16 16 LYS HE3 H 1 2.966 0.020 . 1 . . . . A 276 LYS HE3 . 34693 1 197 . 1 . 1 16 16 LYS C C 13 180.031 0.3 . 1 . . . . A 276 LYS C . 34693 1 198 . 1 . 1 16 16 LYS CA C 13 59.285 0.3 . 1 . . . . A 276 LYS CA . 34693 1 199 . 1 . 1 16 16 LYS CB C 13 32.373 0.3 . 1 . . . . A 276 LYS CB . 34693 1 200 . 1 . 1 16 16 LYS CG C 13 25.725 0.3 . 1 . . . . A 276 LYS CG . 34693 1 201 . 1 . 1 16 16 LYS CD C 13 29.286 0.3 . 1 . . . . A 276 LYS CD . 34693 1 202 . 1 . 1 16 16 LYS CE C 13 42.014 0.3 . 1 . . . . A 276 LYS CE . 34693 1 203 . 1 . 1 16 16 LYS N N 15 116.935 0.3 . 1 . . . . A 276 LYS N . 34693 1 204 . 1 . 1 17 17 LEU H H 1 7.563 0.020 . 1 . . . . A 277 LEU H . 34693 1 205 . 1 . 1 17 17 LEU HA H 1 3.940 0.020 . 1 . . . . A 277 LEU HA . 34693 1 206 . 1 . 1 17 17 LEU HB2 H 1 1.324 0.020 . 2 . . . . A 277 LEU HB2 . 34693 1 207 . 1 . 1 17 17 LEU HB3 H 1 2.265 0.020 . 2 . . . . A 277 LEU HB3 . 34693 1 208 . 1 . 1 17 17 LEU HG H 1 1.891 0.020 . 1 . . . . A 277 LEU HG . 34693 1 209 . 1 . 1 17 17 LEU HD11 H 1 0.930 0.020 . 2 . . . . A 277 LEU HD11 . 34693 1 210 . 1 . 1 17 17 LEU HD12 H 1 0.930 0.020 . 2 . . . . A 277 LEU HD12 . 34693 1 211 . 1 . 1 17 17 LEU HD13 H 1 0.930 0.020 . 2 . . . . A 277 LEU HD13 . 34693 1 212 . 1 . 1 17 17 LEU HD21 H 1 0.946 0.020 . 2 . . . . A 277 LEU HD21 . 34693 1 213 . 1 . 1 17 17 LEU HD22 H 1 0.946 0.020 . 2 . . . . A 277 LEU HD22 . 34693 1 214 . 1 . 1 17 17 LEU HD23 H 1 0.946 0.020 . 2 . . . . A 277 LEU HD23 . 34693 1 215 . 1 . 1 17 17 LEU C C 13 176.663 0.3 . 1 . . . . A 277 LEU C . 34693 1 216 . 1 . 1 17 17 LEU CA C 13 58.011 0.3 . 1 . . . . A 277 LEU CA . 34693 1 217 . 1 . 1 17 17 LEU CB C 13 42.676 0.3 . 1 . . . . A 277 LEU CB . 34693 1 218 . 1 . 1 17 17 LEU CG C 13 26.237 0.3 . 1 . . . . A 277 LEU CG . 34693 1 219 . 1 . 1 17 17 LEU CD1 C 13 23.740 0.3 . 1 . . . . A 277 LEU CD1 . 34693 1 220 . 1 . 1 17 17 LEU CD2 C 13 26.221 0.3 . 1 . . . . A 277 LEU CD2 . 34693 1 221 . 1 . 1 17 17 LEU N N 15 116.281 0.3 . 1 . . . . A 277 LEU N . 34693 1 222 . 1 . 1 18 18 LYS H H 1 7.678 0.020 . 1 . . . . A 278 LYS H . 34693 1 223 . 1 . 1 18 18 LYS HA H 1 2.132 0.020 . 1 . . . . A 278 LYS HA . 34693 1 224 . 1 . 1 18 18 LYS HB2 H 1 1.585 0.020 . 1 . . . . A 278 LYS HB2 . 34693 1 225 . 1 . 1 18 18 LYS HB3 H 1 1.585 0.020 . 1 . . . . A 278 LYS HB3 . 34693 1 226 . 1 . 1 18 18 LYS HG2 H 1 1.111 0.020 . 2 . . . . A 278 LYS HG2 . 34693 1 227 . 1 . 1 18 18 LYS HG3 H 1 1.170 0.020 . 2 . . . . A 278 LYS HG3 . 34693 1 228 . 1 . 1 18 18 LYS HD2 H 1 1.595 0.020 . 1 . . . . A 278 LYS HD2 . 34693 1 229 . 1 . 1 18 18 LYS HD3 H 1 1.595 0.020 . 1 . . . . A 278 LYS HD3 . 34693 1 230 . 1 . 1 18 18 LYS HE2 H 1 2.908 0.020 . 1 . . . . A 278 LYS HE2 . 34693 1 231 . 1 . 1 18 18 LYS HE3 H 1 2.908 0.020 . 1 . . . . A 278 LYS HE3 . 34693 1 232 . 1 . 1 18 18 LYS C C 13 177.277 0.3 . 1 . . . . A 278 LYS C . 34693 1 233 . 1 . 1 18 18 LYS CA C 13 57.814 0.3 . 1 . . . . A 278 LYS CA . 34693 1 234 . 1 . 1 18 18 LYS CB C 13 32.592 0.3 . 1 . . . . A 278 LYS CB . 34693 1 235 . 1 . 1 18 18 LYS CG C 13 24.892 0.3 . 1 . . . . A 278 LYS CG . 34693 1 236 . 1 . 1 18 18 LYS CD C 13 29.517 0.3 . 1 . . . . A 278 LYS CD . 34693 1 237 . 1 . 1 18 18 LYS CE C 13 41.848 0.3 . 1 . . . . A 278 LYS CE . 34693 1 238 . 1 . 1 18 18 LYS N N 15 116.998 0.3 . 1 . . . . A 278 LYS N . 34693 1 239 . 1 . 1 19 19 GLU H H 1 7.594 0.020 . 1 . . . . A 279 GLU H . 34693 1 240 . 1 . 1 19 19 GLU HA H 1 4.179 0.020 . 1 . . . . A 279 GLU HA . 34693 1 241 . 1 . 1 19 19 GLU HB2 H 1 1.799 0.020 . 2 . . . . A 279 GLU HB2 . 34693 1 242 . 1 . 1 19 19 GLU HB3 H 1 2.096 0.020 . 2 . . . . A 279 GLU HB3 . 34693 1 243 . 1 . 1 19 19 GLU HG2 H 1 2.146 0.020 . 2 . . . . A 279 GLU HG2 . 34693 1 244 . 1 . 1 19 19 GLU HG3 H 1 2.412 0.020 . 2 . . . . A 279 GLU HG3 . 34693 1 245 . 1 . 1 19 19 GLU C C 13 176.663 0.3 . 1 . . . . A 279 GLU C . 34693 1 246 . 1 . 1 19 19 GLU CA C 13 55.585 0.3 . 1 . . . . A 279 GLU CA . 34693 1 247 . 1 . 1 19 19 GLU CB C 13 29.830 0.3 . 1 . . . . A 279 GLU CB . 34693 1 248 . 1 . 1 19 19 GLU CG C 13 36.613 0.3 . 1 . . . . A 279 GLU CG . 34693 1 249 . 1 . 1 19 19 GLU N N 15 114.162 0.3 . 1 . . . . A 279 GLU N . 34693 1 250 . 1 . 1 20 20 ASP H H 1 7.043 0.020 . 1 . . . . A 280 ASP H . 34693 1 251 . 1 . 1 20 20 ASP HA H 1 4.572 0.020 . 1 . . . . A 280 ASP HA . 34693 1 252 . 1 . 1 20 20 ASP HB2 H 1 2.998 0.020 . 1 . . . . A 280 ASP HB2 . 34693 1 253 . 1 . 1 20 20 ASP HB3 H 1 2.998 0.020 . 1 . . . . A 280 ASP HB3 . 34693 1 254 . 1 . 1 20 20 ASP C C 13 176.762 0.3 . 1 . . . . A 280 ASP C . 34693 1 255 . 1 . 1 20 20 ASP CA C 13 55.315 0.3 . 1 . . . . A 280 ASP CA . 34693 1 256 . 1 . 1 20 20 ASP CB C 13 41.711 0.3 . 1 . . . . A 280 ASP CB . 34693 1 257 . 1 . 1 20 20 ASP N N 15 120.087 0.3 . 1 . . . . A 280 ASP N . 34693 1 258 . 1 . 1 21 21 HIS H H 1 9.156 0.020 . 1 . . . . A 281 HIS H . 34693 1 259 . 1 . 1 21 21 HIS HA H 1 4.286 0.020 . 1 . . . . A 281 HIS HA . 34693 1 260 . 1 . 1 21 21 HIS HB2 H 1 3.234 0.020 . 2 . . . . A 281 HIS HB2 . 34693 1 261 . 1 . 1 21 21 HIS HB3 H 1 3.328 0.020 . 2 . . . . A 281 HIS HB3 . 34693 1 262 . 1 . 1 21 21 HIS HE1 H 1 8.245 0.020 . 1 . . . . A 281 HIS HE1 . 34693 1 263 . 1 . 1 21 21 HIS C C 13 176.862 0.3 . 1 . . . . A 281 HIS C . 34693 1 264 . 1 . 1 21 21 HIS CA C 13 59.476 0.3 . 1 . . . . A 281 HIS CA . 34693 1 265 . 1 . 1 21 21 HIS CB C 13 29.401 0.3 . 1 . . . . A 281 HIS CB . 34693 1 266 . 1 . 1 21 21 HIS CE1 C 13 137.264 0.3 . 1 . . . . A 281 HIS CE1 . 34693 1 267 . 1 . 1 21 21 HIS N N 15 129.491 0.3 . 1 . . . . A 281 HIS N . 34693 1 268 . 1 . 1 22 22 THR H H 1 8.288 0.020 . 1 . . . . A 282 THR H . 34693 1 269 . 1 . 1 22 22 THR HA H 1 3.759 0.020 . 1 . . . . A 282 THR HA . 34693 1 270 . 1 . 1 22 22 THR HB H 1 4.183 0.020 . 1 . . . . A 282 THR HB . 34693 1 271 . 1 . 1 22 22 THR HG21 H 1 0.791 0.020 . 1 . . . . A 282 THR HG21 . 34693 1 272 . 1 . 1 22 22 THR HG22 H 1 0.791 0.020 . 1 . . . . A 282 THR HG22 . 34693 1 273 . 1 . 1 22 22 THR HG23 H 1 0.791 0.020 . 1 . . . . A 282 THR HG23 . 34693 1 274 . 1 . 1 22 22 THR C C 13 176.165 0.3 . 1 . . . . A 282 THR C . 34693 1 275 . 1 . 1 22 22 THR CA C 13 66.528 0.3 . 1 . . . . A 282 THR CA . 34693 1 276 . 1 . 1 22 22 THR CB C 13 67.996 0.3 . 1 . . . . A 282 THR CB . 34693 1 277 . 1 . 1 22 22 THR CG2 C 13 21.019 0.3 . 1 . . . . A 282 THR CG2 . 34693 1 278 . 1 . 1 22 22 THR N N 15 117.308 0.3 . 1 . . . . A 282 THR N . 34693 1 279 . 1 . 1 23 23 LEU H H 1 8.799 0.020 . 1 . . . . A 283 LEU H . 34693 1 280 . 1 . 1 23 23 LEU HA H 1 3.738 0.020 . 1 . . . . A 283 LEU HA . 34693 1 281 . 1 . 1 23 23 LEU HB2 H 1 1.577 0.020 . 2 . . . . A 283 LEU HB2 . 34693 1 282 . 1 . 1 23 23 LEU HB3 H 1 2.287 0.020 . 2 . . . . A 283 LEU HB3 . 34693 1 283 . 1 . 1 23 23 LEU HG H 1 1.779 0.020 . 1 . . . . A 283 LEU HG . 34693 1 284 . 1 . 1 23 23 LEU HD11 H 1 0.990 0.020 . 2 . . . . A 283 LEU HD11 . 34693 1 285 . 1 . 1 23 23 LEU HD12 H 1 0.990 0.020 . 2 . . . . A 283 LEU HD12 . 34693 1 286 . 1 . 1 23 23 LEU HD13 H 1 0.990 0.020 . 2 . . . . A 283 LEU HD13 . 34693 1 287 . 1 . 1 23 23 LEU HD21 H 1 1.259 0.020 . 2 . . . . A 283 LEU HD21 . 34693 1 288 . 1 . 1 23 23 LEU HD22 H 1 1.259 0.020 . 2 . . . . A 283 LEU HD22 . 34693 1 289 . 1 . 1 23 23 LEU HD23 H 1 1.259 0.020 . 2 . . . . A 283 LEU HD23 . 34693 1 290 . 1 . 1 23 23 LEU C C 13 176.953 0.3 . 1 . . . . A 283 LEU C . 34693 1 291 . 1 . 1 23 23 LEU CA C 13 57.462 0.3 . 1 . . . . A 283 LEU CA . 34693 1 292 . 1 . 1 23 23 LEU CB C 13 40.860 0.3 . 1 . . . . A 283 LEU CB . 34693 1 293 . 1 . 1 23 23 LEU CG C 13 26.789 0.3 . 1 . . . . A 283 LEU CG . 34693 1 294 . 1 . 1 23 23 LEU CD1 C 13 23.534 0.3 . 1 . . . . A 283 LEU CD1 . 34693 1 295 . 1 . 1 23 23 LEU CD2 C 13 27.400 0.3 . 1 . . . . A 283 LEU CD2 . 34693 1 296 . 1 . 1 23 23 LEU N N 15 122.566 0.3 . 1 . . . . A 283 LEU N . 34693 1 297 . 1 . 1 24 24 LYS H H 1 7.415 0.020 . 1 . . . . A 284 LYS H . 34693 1 298 . 1 . 1 24 24 LYS HA H 1 3.763 0.020 . 1 . . . . A 284 LYS HA . 34693 1 299 . 1 . 1 24 24 LYS HB2 H 1 1.930 0.020 . 2 . . . . A 284 LYS HB2 . 34693 1 300 . 1 . 1 24 24 LYS HB3 H 1 2.019 0.020 . 2 . . . . A 284 LYS HB3 . 34693 1 301 . 1 . 1 24 24 LYS HG2 H 1 1.331 0.020 . 2 . . . . A 284 LYS HG2 . 34693 1 302 . 1 . 1 24 24 LYS HG3 H 1 1.598 0.020 . 2 . . . . A 284 LYS HG3 . 34693 1 303 . 1 . 1 24 24 LYS HD2 H 1 1.768 0.020 . 1 . . . . A 284 LYS HD2 . 34693 1 304 . 1 . 1 24 24 LYS HD3 H 1 1.768 0.020 . 1 . . . . A 284 LYS HD3 . 34693 1 305 . 1 . 1 24 24 LYS HE2 H 1 3.033 0.020 . 1 . . . . A 284 LYS HE2 . 34693 1 306 . 1 . 1 24 24 LYS HE3 H 1 3.033 0.020 . 1 . . . . A 284 LYS HE3 . 34693 1 307 . 1 . 1 24 24 LYS C C 13 178.704 0.3 . 1 . . . . A 284 LYS C . 34693 1 308 . 1 . 1 24 24 LYS CA C 13 60.792 0.3 . 1 . . . . A 284 LYS CA . 34693 1 309 . 1 . 1 24 24 LYS CB C 13 32.078 0.3 . 1 . . . . A 284 LYS CB . 34693 1 310 . 1 . 1 24 24 LYS CG C 13 25.506 0.3 . 1 . . . . A 284 LYS CG . 34693 1 311 . 1 . 1 24 24 LYS CD C 13 29.440 0.3 . 1 . . . . A 284 LYS CD . 34693 1 312 . 1 . 1 24 24 LYS CE C 13 42.216 0.3 . 1 . . . . A 284 LYS CE . 34693 1 313 . 1 . 1 24 24 LYS N N 15 117.697 0.3 . 1 . . . . A 284 LYS N . 34693 1 314 . 1 . 1 25 25 ILE H H 1 7.270 0.020 . 1 . . . . A 285 ILE H . 34693 1 315 . 1 . 1 25 25 ILE HA H 1 3.612 0.020 . 1 . . . . A 285 ILE HA . 34693 1 316 . 1 . 1 25 25 ILE HB H 1 2.037 0.020 . 1 . . . . A 285 ILE HB . 34693 1 317 . 1 . 1 25 25 ILE HG12 H 1 1.132 0.020 . 2 . . . . A 285 ILE HG12 . 34693 1 318 . 1 . 1 25 25 ILE HG13 H 1 1.457 0.020 . 2 . . . . A 285 ILE HG13 . 34693 1 319 . 1 . 1 25 25 ILE HG21 H 1 0.845 0.020 . 1 . . . . A 285 ILE HG21 . 34693 1 320 . 1 . 1 25 25 ILE HG22 H 1 0.845 0.020 . 1 . . . . A 285 ILE HG22 . 34693 1 321 . 1 . 1 25 25 ILE HG23 H 1 0.845 0.020 . 1 . . . . A 285 ILE HG23 . 34693 1 322 . 1 . 1 25 25 ILE HD11 H 1 0.720 0.020 . 1 . . . . A 285 ILE HD11 . 34693 1 323 . 1 . 1 25 25 ILE HD12 H 1 0.720 0.020 . 1 . . . . A 285 ILE HD12 . 34693 1 324 . 1 . 1 25 25 ILE HD13 H 1 0.720 0.020 . 1 . . . . A 285 ILE HD13 . 34693 1 325 . 1 . 1 25 25 ILE C C 13 180.147 0.3 . 1 . . . . A 285 ILE C . 34693 1 326 . 1 . 1 25 25 ILE CA C 13 64.051 0.3 . 1 . . . . A 285 ILE CA . 34693 1 327 . 1 . 1 25 25 ILE CB C 13 36.921 0.3 . 1 . . . . A 285 ILE CB . 34693 1 328 . 1 . 1 25 25 ILE CG1 C 13 28.001 0.3 . 1 . . . . A 285 ILE CG1 . 34693 1 329 . 1 . 1 25 25 ILE CG2 C 13 17.297 0.3 . 1 . . . . A 285 ILE CG2 . 34693 1 330 . 1 . 1 25 25 ILE CD1 C 13 11.612 0.3 . 1 . . . . A 285 ILE CD1 . 34693 1 331 . 1 . 1 25 25 ILE N N 15 117.144 0.3 . 1 . . . . A 285 ILE N . 34693 1 332 . 1 . 1 26 26 LEU H H 1 8.169 0.020 . 1 . . . . A 286 LEU H . 34693 1 333 . 1 . 1 26 26 LEU HA H 1 4.032 0.020 . 1 . . . . A 286 LEU HA . 34693 1 334 . 1 . 1 26 26 LEU HB2 H 1 1.324 0.020 . 2 . . . . A 286 LEU HB2 . 34693 1 335 . 1 . 1 26 26 LEU HB3 H 1 1.967 0.020 . 2 . . . . A 286 LEU HB3 . 34693 1 336 . 1 . 1 26 26 LEU HG H 1 1.749 0.020 . 1 . . . . A 286 LEU HG . 34693 1 337 . 1 . 1 26 26 LEU HD11 H 1 0.753 0.020 . 2 . . . . A 286 LEU HD11 . 34693 1 338 . 1 . 1 26 26 LEU HD12 H 1 0.753 0.020 . 2 . . . . A 286 LEU HD12 . 34693 1 339 . 1 . 1 26 26 LEU HD13 H 1 0.753 0.020 . 2 . . . . A 286 LEU HD13 . 34693 1 340 . 1 . 1 26 26 LEU HD21 H 1 0.548 0.020 . 2 . . . . A 286 LEU HD21 . 34693 1 341 . 1 . 1 26 26 LEU HD22 H 1 0.548 0.020 . 2 . . . . A 286 LEU HD22 . 34693 1 342 . 1 . 1 26 26 LEU HD23 H 1 0.548 0.020 . 2 . . . . A 286 LEU HD23 . 34693 1 343 . 1 . 1 26 26 LEU C C 13 179.898 0.3 . 1 . . . . A 286 LEU C . 34693 1 344 . 1 . 1 26 26 LEU CA C 13 57.805 0.3 . 1 . . . . A 286 LEU CA . 34693 1 345 . 1 . 1 26 26 LEU CB C 13 41.970 0.3 . 1 . . . . A 286 LEU CB . 34693 1 346 . 1 . 1 26 26 LEU CG C 13 26.218 0.3 . 1 . . . . A 286 LEU CG . 34693 1 347 . 1 . 1 26 26 LEU CD1 C 13 21.226 0.3 . 1 . . . . A 286 LEU CD1 . 34693 1 348 . 1 . 1 26 26 LEU CD2 C 13 25.715 0.3 . 1 . . . . A 286 LEU CD2 . 34693 1 349 . 1 . 1 26 26 LEU N N 15 122.035 0.3 . 1 . . . . A 286 LEU N . 34693 1 350 . 1 . 1 27 27 LEU H H 1 8.119 0.020 . 1 . . . . A 287 LEU H . 34693 1 351 . 1 . 1 27 27 LEU HA H 1 3.847 0.020 . 1 . . . . A 287 LEU HA . 34693 1 352 . 1 . 1 27 27 LEU HB2 H 1 1.639 0.020 . 2 . . . . A 287 LEU HB2 . 34693 1 353 . 1 . 1 27 27 LEU HB3 H 1 2.019 0.020 . 2 . . . . A 287 LEU HB3 . 34693 1 354 . 1 . 1 27 27 LEU HG H 1 2.034 0.020 . 1 . . . . A 287 LEU HG . 34693 1 355 . 1 . 1 27 27 LEU HD11 H 1 0.693 0.020 . 2 . . . . A 287 LEU HD11 . 34693 1 356 . 1 . 1 27 27 LEU HD12 H 1 0.693 0.020 . 2 . . . . A 287 LEU HD12 . 34693 1 357 . 1 . 1 27 27 LEU HD13 H 1 0.693 0.020 . 2 . . . . A 287 LEU HD13 . 34693 1 358 . 1 . 1 27 27 LEU HD21 H 1 0.903 0.020 . 2 . . . . A 287 LEU HD21 . 34693 1 359 . 1 . 1 27 27 LEU HD22 H 1 0.903 0.020 . 2 . . . . A 287 LEU HD22 . 34693 1 360 . 1 . 1 27 27 LEU HD23 H 1 0.903 0.020 . 2 . . . . A 287 LEU HD23 . 34693 1 361 . 1 . 1 27 27 LEU C C 13 176.098 0.3 . 1 . . . . A 287 LEU C . 34693 1 362 . 1 . 1 27 27 LEU CA C 13 54.685 0.3 . 1 . . . . A 287 LEU CA . 34693 1 363 . 1 . 1 27 27 LEU CB C 13 41.952 0.3 . 1 . . . . A 287 LEU CB . 34693 1 364 . 1 . 1 27 27 LEU CG C 13 25.755 0.3 . 1 . . . . A 287 LEU CG . 34693 1 365 . 1 . 1 27 27 LEU CD1 C 13 22.628 0.3 . 1 . . . . A 287 LEU CD1 . 34693 1 366 . 1 . 1 27 27 LEU CD2 C 13 28.054 0.3 . 1 . . . . A 287 LEU CD2 . 34693 1 367 . 1 . 1 27 27 LEU N N 15 113.122 0.3 . 1 . . . . A 287 LEU N . 34693 1 368 . 1 . 1 28 28 LYS H H 1 7.508 0.020 . 1 . . . . A 288 LYS H . 34693 1 369 . 1 . 1 28 28 LYS HA H 1 3.884 0.020 . 1 . . . . A 288 LYS HA . 34693 1 370 . 1 . 1 28 28 LYS HB2 H 1 1.866 0.020 . 1 . . . . A 288 LYS HB2 . 34693 1 371 . 1 . 1 28 28 LYS HB3 H 1 1.866 0.020 . 1 . . . . A 288 LYS HB3 . 34693 1 372 . 1 . 1 28 28 LYS HG2 H 1 1.527 0.020 . 2 . . . . A 288 LYS HG2 . 34693 1 373 . 1 . 1 28 28 LYS HG3 H 1 1.694 0.020 . 2 . . . . A 288 LYS HG3 . 34693 1 374 . 1 . 1 28 28 LYS HD2 H 1 1.660 0.020 . 1 . . . . A 288 LYS HD2 . 34693 1 375 . 1 . 1 28 28 LYS HD3 H 1 1.660 0.020 . 1 . . . . A 288 LYS HD3 . 34693 1 376 . 1 . 1 28 28 LYS HE2 H 1 2.895 0.020 . 1 . . . . A 288 LYS HE2 . 34693 1 377 . 1 . 1 28 28 LYS HE3 H 1 2.895 0.020 . 1 . . . . A 288 LYS HE3 . 34693 1 378 . 1 . 1 28 28 LYS C C 13 176.331 0.3 . 1 . . . . A 288 LYS C . 34693 1 379 . 1 . 1 28 28 LYS CA C 13 57.346 0.3 . 1 . . . . A 288 LYS CA . 34693 1 380 . 1 . 1 28 28 LYS CB C 13 32.142 0.3 . 1 . . . . A 288 LYS CB . 34693 1 381 . 1 . 1 28 28 LYS CG C 13 25.202 0.3 . 1 . . . . A 288 LYS CG . 34693 1 382 . 1 . 1 28 28 LYS CD C 13 29.286 0.3 . 1 . . . . A 288 LYS CD . 34693 1 383 . 1 . 1 28 28 LYS CE C 13 41.943 0.3 . 1 . . . . A 288 LYS CE . 34693 1 384 . 1 . 1 28 28 LYS N N 15 119.875 0.3 . 1 . . . . A 288 LYS N . 34693 1 385 . 1 . 1 29 29 ASN H H 1 6.758 0.020 . 1 . . . . A 289 ASN H . 34693 1 386 . 1 . 1 29 29 ASN HA H 1 4.370 0.020 . 1 . . . . A 289 ASN HA . 34693 1 387 . 1 . 1 29 29 ASN HB2 H 1 2.783 0.020 . 1 . . . . A 289 ASN HB2 . 34693 1 388 . 1 . 1 29 29 ASN HB3 H 1 2.783 0.020 . 1 . . . . A 289 ASN HB3 . 34693 1 389 . 1 . 1 29 29 ASN HD21 H 1 7.634 0.020 . 1 . . . . A 289 ASN HD21 . 34693 1 390 . 1 . 1 29 29 ASN HD22 H 1 7.397 0.020 . 1 . . . . A 289 ASN HD22 . 34693 1 391 . 1 . 1 29 29 ASN C C 13 176.148 0.3 . 1 . . . . A 289 ASN C . 34693 1 392 . 1 . 1 29 29 ASN CA C 13 53.074 0.3 . 1 . . . . A 289 ASN CA . 34693 1 393 . 1 . 1 29 29 ASN CB C 13 39.231 0.3 . 1 . . . . A 289 ASN CB . 34693 1 394 . 1 . 1 29 29 ASN CG C 13 176.302 0.3 . 1 . . . . A 289 ASN CG . 34693 1 395 . 1 . 1 29 29 ASN N N 15 116.122 0.3 . 1 . . . . A 289 ASN N . 34693 1 396 . 1 . 1 29 29 ASN ND2 N 15 112.416 0.3 . 1 . . . . A 289 ASN ND2 . 34693 1 397 . 1 . 1 30 30 ASN H H 1 9.200 0.020 . 1 . . . . A 290 ASN H . 34693 1 398 . 1 . 1 30 30 ASN HA H 1 4.056 0.020 . 1 . . . . A 290 ASN HA . 34693 1 399 . 1 . 1 30 30 ASN HB2 H 1 2.743 0.020 . 1 . . . . A 290 ASN HB2 . 34693 1 400 . 1 . 1 30 30 ASN HB3 H 1 2.743 0.020 . 1 . . . . A 290 ASN HB3 . 34693 1 401 . 1 . 1 30 30 ASN HD21 H 1 7.688 0.020 . 1 . . . . A 290 ASN HD21 . 34693 1 402 . 1 . 1 30 30 ASN HD22 H 1 7.044 0.020 . 1 . . . . A 290 ASN HD22 . 34693 1 403 . 1 . 1 30 30 ASN C C 13 176.364 0.3 . 1 . . . . A 290 ASN C . 34693 1 404 . 1 . 1 30 30 ASN CA C 13 56.625 0.3 . 1 . . . . A 290 ASN CA . 34693 1 405 . 1 . 1 30 30 ASN CB C 13 38.525 0.3 . 1 . . . . A 290 ASN CB . 34693 1 406 . 1 . 1 30 30 ASN CG C 13 176.213 0.3 . 1 . . . . A 290 ASN CG . 34693 1 407 . 1 . 1 30 30 ASN N N 15 127.187 0.3 . 1 . . . . A 290 ASN N . 34693 1 408 . 1 . 1 30 30 ASN ND2 N 15 114.069 0.3 . 1 . . . . A 290 ASN ND2 . 34693 1 409 . 1 . 1 31 31 TYR H H 1 8.091 0.020 . 1 . . . . A 291 TYR H . 34693 1 410 . 1 . 1 31 31 TYR HA H 1 4.361 0.020 . 1 . . . . A 291 TYR HA . 34693 1 411 . 1 . 1 31 31 TYR HB2 H 1 2.955 0.020 . 2 . . . . A 291 TYR HB2 . 34693 1 412 . 1 . 1 31 31 TYR HB3 H 1 3.165 0.020 . 2 . . . . A 291 TYR HB3 . 34693 1 413 . 1 . 1 31 31 TYR HD1 H 1 6.977 0.020 . 1 . . . . A 291 TYR HD1 . 34693 1 414 . 1 . 1 31 31 TYR HD2 H 1 6.977 0.020 . 1 . . . . A 291 TYR HD2 . 34693 1 415 . 1 . 1 31 31 TYR HE1 H 1 6.898 0.020 . 1 . . . . A 291 TYR HE1 . 34693 1 416 . 1 . 1 31 31 TYR HE2 H 1 6.898 0.020 . 1 . . . . A 291 TYR HE2 . 34693 1 417 . 1 . 1 31 31 TYR C C 13 176.945 0.3 . 1 . . . . A 291 TYR C . 34693 1 418 . 1 . 1 31 31 TYR CA C 13 60.258 0.3 . 1 . . . . A 291 TYR CA . 34693 1 419 . 1 . 1 31 31 TYR CB C 13 38.370 0.3 . 1 . . . . A 291 TYR CB . 34693 1 420 . 1 . 1 31 31 TYR CD1 C 13 132.908 0.3 . 1 . . . . A 291 TYR CD1 . 34693 1 421 . 1 . 1 31 31 TYR CD2 C 13 132.908 0.3 . 1 . . . . A 291 TYR CD2 . 34693 1 422 . 1 . 1 31 31 TYR CE1 C 13 118.005 0.3 . 1 . . . . A 291 TYR CE1 . 34693 1 423 . 1 . 1 31 31 TYR CE2 C 13 118.005 0.3 . 1 . . . . A 291 TYR CE2 . 34693 1 424 . 1 . 1 31 31 TYR N N 15 121.201 0.3 . 1 . . . . A 291 TYR N . 34693 1 425 . 1 . 1 32 32 VAL H H 1 6.853 0.020 . 1 . . . . A 292 VAL H . 34693 1 426 . 1 . 1 32 32 VAL HA H 1 2.743 0.020 . 1 . . . . A 292 VAL HA . 34693 1 427 . 1 . 1 32 32 VAL HB H 1 1.923 0.020 . 1 . . . . A 292 VAL HB . 34693 1 428 . 1 . 1 32 32 VAL HG11 H 1 0.018 0.020 . 2 . . . . A 292 VAL HG11 . 34693 1 429 . 1 . 1 32 32 VAL HG12 H 1 0.018 0.020 . 2 . . . . A 292 VAL HG12 . 34693 1 430 . 1 . 1 32 32 VAL HG13 H 1 0.018 0.020 . 2 . . . . A 292 VAL HG13 . 34693 1 431 . 1 . 1 32 32 VAL HG21 H 1 0.747 0.020 . 2 . . . . A 292 VAL HG21 . 34693 1 432 . 1 . 1 32 32 VAL HG22 H 1 0.747 0.020 . 2 . . . . A 292 VAL HG22 . 34693 1 433 . 1 . 1 32 32 VAL HG23 H 1 0.747 0.020 . 2 . . . . A 292 VAL HG23 . 34693 1 434 . 1 . 1 32 32 VAL C C 13 176.919 0.3 . 1 . . . . A 292 VAL C . 34693 1 435 . 1 . 1 32 32 VAL CA C 13 65.613 0.3 . 1 . . . . A 292 VAL CA . 34693 1 436 . 1 . 1 32 32 VAL CB C 13 31.247 0.3 . 1 . . . . A 292 VAL CB . 34693 1 437 . 1 . 1 32 32 VAL CG1 C 13 21.211 0.3 . 1 . . . . A 292 VAL CG1 . 34693 1 438 . 1 . 1 32 32 VAL CG2 C 13 23.155 0.3 . 1 . . . . A 292 VAL CG2 . 34693 1 439 . 1 . 1 32 32 VAL N N 15 117.340 0.3 . 1 . . . . A 292 VAL N . 34693 1 440 . 1 . 1 33 33 ARG H H 1 7.257 0.020 . 1 . . . . A 293 ARG H . 34693 1 441 . 1 . 1 33 33 ARG HA H 1 3.306 0.020 . 1 . . . . A 293 ARG HA . 34693 1 442 . 1 . 1 33 33 ARG HB2 H 1 1.015 0.020 . 2 . . . . A 293 ARG HB2 . 34693 1 443 . 1 . 1 33 33 ARG HB3 H 1 1.551 0.020 . 2 . . . . A 293 ARG HB3 . 34693 1 444 . 1 . 1 33 33 ARG HG2 H 1 -0.751 0.020 . 2 . . . . A 293 ARG HG2 . 34693 1 445 . 1 . 1 33 33 ARG HG3 H 1 1.298 0.020 . 2 . . . . A 293 ARG HG3 . 34693 1 446 . 1 . 1 33 33 ARG HD2 H 1 2.293 0.020 . 2 . . . . A 293 ARG HD2 . 34693 1 447 . 1 . 1 33 33 ARG HD3 H 1 2.640 0.020 . 2 . . . . A 293 ARG HD3 . 34693 1 448 . 1 . 1 33 33 ARG HE H 1 7.414 0.020 . 1 . . . . A 293 ARG HE . 34693 1 449 . 1 . 1 33 33 ARG C C 13 178.372 0.3 . 1 . . . . A 293 ARG C . 34693 1 450 . 1 . 1 33 33 ARG CA C 13 60.088 0.3 . 1 . . . . A 293 ARG CA . 34693 1 451 . 1 . 1 33 33 ARG CB C 13 29.502 0.3 . 1 . . . . A 293 ARG CB . 34693 1 452 . 1 . 1 33 33 ARG CG C 13 26.897 0.3 . 1 . . . . A 293 ARG CG . 34693 1 453 . 1 . 1 33 33 ARG CD C 13 43.655 0.3 . 1 . . . . A 293 ARG CD . 34693 1 454 . 1 . 1 33 33 ARG N N 15 115.143 0.3 . 1 . . . . A 293 ARG N . 34693 1 455 . 1 . 1 33 33 ARG NE N 15 85.527 0.3 . 1 . . . . A 293 ARG NE . 34693 1 456 . 1 . 1 34 34 GLU H H 1 7.940 0.020 . 1 . . . . A 294 GLU H . 34693 1 457 . 1 . 1 34 34 GLU HA H 1 3.994 0.020 . 1 . . . . A 294 GLU HA . 34693 1 458 . 1 . 1 34 34 GLU HB2 H 1 2.069 0.020 . 1 . . . . A 294 GLU HB2 . 34693 1 459 . 1 . 1 34 34 GLU HB3 H 1 2.069 0.020 . 1 . . . . A 294 GLU HB3 . 34693 1 460 . 1 . 1 34 34 GLU HG2 H 1 2.311 0.020 . 1 . . . . A 294 GLU HG2 . 34693 1 461 . 1 . 1 34 34 GLU HG3 H 1 2.311 0.020 . 1 . . . . A 294 GLU HG3 . 34693 1 462 . 1 . 1 34 34 GLU C C 13 179.002 0.3 . 1 . . . . A 294 GLU C . 34693 1 463 . 1 . 1 34 34 GLU CA C 13 59.313 0.3 . 1 . . . . A 294 GLU CA . 34693 1 464 . 1 . 1 34 34 GLU CB C 13 29.060 0.3 . 1 . . . . A 294 GLU CB . 34693 1 465 . 1 . 1 34 34 GLU CG C 13 35.605 0.3 . 1 . . . . A 294 GLU CG . 34693 1 466 . 1 . 1 34 34 GLU N N 15 119.268 0.3 . 1 . . . . A 294 GLU N . 34693 1 467 . 1 . 1 35 35 VAL H H 1 7.716 0.020 . 1 . . . . A 295 VAL H . 34693 1 468 . 1 . 1 35 35 VAL HA H 1 3.784 0.020 . 1 . . . . A 295 VAL HA . 34693 1 469 . 1 . 1 35 35 VAL HB H 1 1.655 0.020 . 1 . . . . A 295 VAL HB . 34693 1 470 . 1 . 1 35 35 VAL HG11 H 1 0.391 0.020 . 2 . . . . A 295 VAL HG11 . 34693 1 471 . 1 . 1 35 35 VAL HG12 H 1 0.391 0.020 . 2 . . . . A 295 VAL HG12 . 34693 1 472 . 1 . 1 35 35 VAL HG13 H 1 0.391 0.020 . 2 . . . . A 295 VAL HG13 . 34693 1 473 . 1 . 1 35 35 VAL HG21 H 1 0.247 0.020 . 2 . . . . A 295 VAL HG21 . 34693 1 474 . 1 . 1 35 35 VAL HG22 H 1 0.247 0.020 . 2 . . . . A 295 VAL HG22 . 34693 1 475 . 1 . 1 35 35 VAL HG23 H 1 0.247 0.020 . 2 . . . . A 295 VAL HG23 . 34693 1 476 . 1 . 1 35 35 VAL C C 13 179.075 0.3 . 1 . . . . A 295 VAL C . 34693 1 477 . 1 . 1 35 35 VAL CA C 13 65.771 0.3 . 1 . . . . A 295 VAL CA . 34693 1 478 . 1 . 1 35 35 VAL CB C 13 31.247 0.3 . 1 . . . . A 295 VAL CB . 34693 1 479 . 1 . 1 35 35 VAL CG1 C 13 19.672 0.3 . 1 . . . . A 295 VAL CG1 . 34693 1 480 . 1 . 1 35 35 VAL CG2 C 13 22.206 0.3 . 1 . . . . A 295 VAL CG2 . 34693 1 481 . 1 . 1 35 35 VAL N N 15 120.827 0.3 . 1 . . . . A 295 VAL N . 34693 1 482 . 1 . 1 36 36 PHE H H 1 8.895 0.020 . 1 . . . . A 296 PHE H . 34693 1 483 . 1 . 1 36 36 PHE HA H 1 4.207 0.020 . 1 . . . . A 296 PHE HA . 34693 1 484 . 1 . 1 36 36 PHE HB2 H 1 3.410 0.020 . 2 . . . . A 296 PHE HB2 . 34693 1 485 . 1 . 1 36 36 PHE HB3 H 1 3.501 0.020 . 2 . . . . A 296 PHE HB3 . 34693 1 486 . 1 . 1 36 36 PHE HD1 H 1 6.985 0.020 . 1 . . . . A 296 PHE HD1 . 34693 1 487 . 1 . 1 36 36 PHE HD2 H 1 6.985 0.020 . 1 . . . . A 296 PHE HD2 . 34693 1 488 . 1 . 1 36 36 PHE HE1 H 1 6.859 0.020 . 1 . . . . A 296 PHE HE1 . 34693 1 489 . 1 . 1 36 36 PHE HE2 H 1 6.859 0.020 . 1 . . . . A 296 PHE HE2 . 34693 1 490 . 1 . 1 36 36 PHE HZ H 1 6.746 0.020 . 1 . . . . A 296 PHE HZ . 34693 1 491 . 1 . 1 36 36 PHE C C 13 178.133 0.3 . 1 . . . . A 296 PHE C . 34693 1 492 . 1 . 1 36 36 PHE CA C 13 59.656 0.3 . 1 . . . . A 296 PHE CA . 34693 1 493 . 1 . 1 36 36 PHE CB C 13 35.803 0.3 . 1 . . . . A 296 PHE CB . 34693 1 494 . 1 . 1 36 36 PHE CD1 C 13 129.547 0.3 . 1 . . . . A 296 PHE CD1 . 34693 1 495 . 1 . 1 36 36 PHE CD2 C 13 129.547 0.3 . 1 . . . . A 296 PHE CD2 . 34693 1 496 . 1 . 1 36 36 PHE CE1 C 13 129.809 0.3 . 1 . . . . A 296 PHE CE1 . 34693 1 497 . 1 . 1 36 36 PHE CE2 C 13 129.809 0.3 . 1 . . . . A 296 PHE CE2 . 34693 1 498 . 1 . 1 36 36 PHE CZ C 13 128.090 0.3 . 1 . . . . A 296 PHE CZ . 34693 1 499 . 1 . 1 36 36 PHE N N 15 121.477 0.3 . 1 . . . . A 296 PHE N . 34693 1 500 . 1 . 1 37 37 LYS H H 1 8.863 0.020 . 1 . . . . A 297 LYS H . 34693 1 501 . 1 . 1 37 37 LYS HA H 1 4.032 0.020 . 1 . . . . A 297 LYS HA . 34693 1 502 . 1 . 1 37 37 LYS HB2 H 1 1.961 0.020 . 2 . . . . A 297 LYS HB2 . 34693 1 503 . 1 . 1 37 37 LYS HB3 H 1 2.021 0.020 . 2 . . . . A 297 LYS HB3 . 34693 1 504 . 1 . 1 37 37 LYS HG2 H 1 1.427 0.020 . 2 . . . . A 297 LYS HG2 . 34693 1 505 . 1 . 1 37 37 LYS HG3 H 1 1.726 0.020 . 2 . . . . A 297 LYS HG3 . 34693 1 506 . 1 . 1 37 37 LYS HD2 H 1 1.710 0.020 . 1 . . . . A 297 LYS HD2 . 34693 1 507 . 1 . 1 37 37 LYS HD3 H 1 1.710 0.020 . 1 . . . . A 297 LYS HD3 . 34693 1 508 . 1 . 1 37 37 LYS HE2 H 1 2.894 0.020 . 1 . . . . A 297 LYS HE2 . 34693 1 509 . 1 . 1 37 37 LYS HE3 H 1 2.894 0.020 . 1 . . . . A 297 LYS HE3 . 34693 1 510 . 1 . 1 37 37 LYS C C 13 179.965 0.3 . 1 . . . . A 297 LYS C . 34693 1 511 . 1 . 1 37 37 LYS CA C 13 60.358 0.3 . 1 . . . . A 297 LYS CA . 34693 1 512 . 1 . 1 37 37 LYS CB C 13 32.227 0.3 . 1 . . . . A 297 LYS CB . 34693 1 513 . 1 . 1 37 37 LYS CG C 13 25.487 0.3 . 1 . . . . A 297 LYS CG . 34693 1 514 . 1 . 1 37 37 LYS CD C 13 29.440 0.3 . 1 . . . . A 297 LYS CD . 34693 1 515 . 1 . 1 37 37 LYS CE C 13 42.091 0.3 . 1 . . . . A 297 LYS CE . 34693 1 516 . 1 . 1 37 37 LYS N N 15 120.532 0.3 . 1 . . . . A 297 LYS N . 34693 1 517 . 1 . 1 38 38 GLN H H 1 8.272 0.020 . 1 . . . . A 298 GLN H . 34693 1 518 . 1 . 1 38 38 GLN HA H 1 3.835 0.020 . 1 . . . . A 298 GLN HA . 34693 1 519 . 1 . 1 38 38 GLN HB2 H 1 1.991 0.020 . 2 . . . . A 298 GLN HB2 . 34693 1 520 . 1 . 1 38 38 GLN HB3 H 1 2.326 0.020 . 2 . . . . A 298 GLN HB3 . 34693 1 521 . 1 . 1 38 38 GLN HG2 H 1 2.316 0.020 . 2 . . . . A 298 GLN HG2 . 34693 1 522 . 1 . 1 38 38 GLN HG3 H 1 2.454 0.020 . 2 . . . . A 298 GLN HG3 . 34693 1 523 . 1 . 1 38 38 GLN HE21 H 1 7.537 0.020 . 1 . . . . A 298 GLN HE21 . 34693 1 524 . 1 . 1 38 38 GLN HE22 H 1 6.877 0.020 . 1 . . . . A 298 GLN HE22 . 34693 1 525 . 1 . 1 38 38 GLN C C 13 179.022 0.3 . 1 . . . . A 298 GLN C . 34693 1 526 . 1 . 1 38 38 GLN CA C 13 58.391 0.3 . 1 . . . . A 298 GLN CA . 34693 1 527 . 1 . 1 38 38 GLN CB C 13 27.096 0.3 . 1 . . . . A 298 GLN CB . 34693 1 528 . 1 . 1 38 38 GLN CG C 13 33.602 0.3 . 1 . . . . A 298 GLN CG . 34693 1 529 . 1 . 1 38 38 GLN CD C 13 180.077 0.3 . 1 . . . . A 298 GLN CD . 34693 1 530 . 1 . 1 38 38 GLN N N 15 118.543 0.3 . 1 . . . . A 298 GLN N . 34693 1 531 . 1 . 1 38 38 GLN NE2 N 15 112.842 0.3 . 1 . . . . A 298 GLN NE2 . 34693 1 532 . 1 . 1 39 39 PHE H H 1 8.639 0.020 . 1 . . . . A 299 PHE H . 34693 1 533 . 1 . 1 39 39 PHE HA H 1 3.423 0.020 . 1 . . . . A 299 PHE HA . 34693 1 534 . 1 . 1 39 39 PHE HB2 H 1 3.103 0.020 . 2 . . . . A 299 PHE HB2 . 34693 1 535 . 1 . 1 39 39 PHE HB3 H 1 3.651 0.020 . 2 . . . . A 299 PHE HB3 . 34693 1 536 . 1 . 1 39 39 PHE HD1 H 1 7.126 0.020 . 1 . . . . A 299 PHE HD1 . 34693 1 537 . 1 . 1 39 39 PHE HD2 H 1 7.126 0.020 . 1 . . . . A 299 PHE HD2 . 34693 1 538 . 1 . 1 39 39 PHE HE1 H 1 7.105 0.020 . 1 . . . . A 299 PHE HE1 . 34693 1 539 . 1 . 1 39 39 PHE HE2 H 1 7.105 0.020 . 1 . . . . A 299 PHE HE2 . 34693 1 540 . 1 . 1 39 39 PHE HZ H 1 7.157 0.020 . 1 . . . . A 299 PHE HZ . 34693 1 541 . 1 . 1 39 39 PHE C C 13 177.189 0.3 . 1 . . . . A 299 PHE C . 34693 1 542 . 1 . 1 39 39 PHE CA C 13 61.491 0.3 . 1 . . . . A 299 PHE CA . 34693 1 543 . 1 . 1 39 39 PHE CB C 13 38.684 0.3 . 1 . . . . A 299 PHE CB . 34693 1 544 . 1 . 1 39 39 PHE CD1 C 13 132.526 0.3 . 1 . . . . A 299 PHE CD1 . 34693 1 545 . 1 . 1 39 39 PHE CD2 C 13 132.526 0.3 . 1 . . . . A 299 PHE CD2 . 34693 1 546 . 1 . 1 39 39 PHE N N 15 122.571 0.3 . 1 . . . . A 299 PHE N . 34693 1 547 . 1 . 1 40 40 THR H H 1 7.903 0.020 . 1 . . . . A 300 THR H . 34693 1 548 . 1 . 1 40 40 THR HA H 1 3.822 0.020 . 1 . . . . A 300 THR HA . 34693 1 549 . 1 . 1 40 40 THR HB H 1 4.341 0.020 . 1 . . . . A 300 THR HB . 34693 1 550 . 1 . 1 40 40 THR HG1 H 1 5.283 0.020 . 1 . . . . A 300 THR HG1 . 34693 1 551 . 1 . 1 40 40 THR HG21 H 1 1.397 0.020 . 1 . . . . A 300 THR HG21 . 34693 1 552 . 1 . 1 40 40 THR HG22 H 1 1.397 0.020 . 1 . . . . A 300 THR HG22 . 34693 1 553 . 1 . 1 40 40 THR HG23 H 1 1.397 0.020 . 1 . . . . A 300 THR HG23 . 34693 1 554 . 1 . 1 40 40 THR C C 13 175.256 0.3 . 1 . . . . A 300 THR C . 34693 1 555 . 1 . 1 40 40 THR CA C 13 65.940 0.3 . 1 . . . . A 300 THR CA . 34693 1 556 . 1 . 1 40 40 THR CB C 13 69.098 0.3 . 1 . . . . A 300 THR CB . 34693 1 557 . 1 . 1 40 40 THR CG2 C 13 22.300 0.3 . 1 . . . . A 300 THR CG2 . 34693 1 558 . 1 . 1 40 40 THR N N 15 111.339 0.3 . 1 . . . . A 300 THR N . 34693 1 559 . 1 . 1 41 41 LEU H H 1 7.060 0.020 . 1 . . . . A 301 LEU H . 34693 1 560 . 1 . 1 41 41 LEU HA H 1 4.213 0.020 . 1 . . . . A 301 LEU HA . 34693 1 561 . 1 . 1 41 41 LEU HB2 H 1 1.550 0.020 . 1 . . . . A 301 LEU HB2 . 34693 1 562 . 1 . 1 41 41 LEU HB3 H 1 1.550 0.020 . 1 . . . . A 301 LEU HB3 . 34693 1 563 . 1 . 1 41 41 LEU HG H 1 1.659 0.020 . 1 . . . . A 301 LEU HG . 34693 1 564 . 1 . 1 41 41 LEU HD11 H 1 0.768 0.020 . 2 . . . . A 301 LEU HD11 . 34693 1 565 . 1 . 1 41 41 LEU HD12 H 1 0.768 0.020 . 2 . . . . A 301 LEU HD12 . 34693 1 566 . 1 . 1 41 41 LEU HD13 H 1 0.768 0.020 . 2 . . . . A 301 LEU HD13 . 34693 1 567 . 1 . 1 41 41 LEU HD21 H 1 0.778 0.020 . 2 . . . . A 301 LEU HD21 . 34693 1 568 . 1 . 1 41 41 LEU HD22 H 1 0.778 0.020 . 2 . . . . A 301 LEU HD22 . 34693 1 569 . 1 . 1 41 41 LEU HD23 H 1 0.778 0.020 . 2 . . . . A 301 LEU HD23 . 34693 1 570 . 1 . 1 41 41 LEU C C 13 177.228 0.3 . 1 . . . . A 301 LEU C . 34693 1 571 . 1 . 1 41 41 LEU CA C 13 54.936 0.3 . 1 . . . . A 301 LEU CA . 34693 1 572 . 1 . 1 41 41 LEU CB C 13 42.576 0.3 . 1 . . . . A 301 LEU CB . 34693 1 573 . 1 . 1 41 41 LEU CG C 13 26.198 0.3 . 1 . . . . A 301 LEU CG . 34693 1 574 . 1 . 1 41 41 LEU CD1 C 13 22.273 0.3 . 1 . . . . A 301 LEU CD1 . 34693 1 575 . 1 . 1 41 41 LEU CD2 C 13 25.219 0.3 . 1 . . . . A 301 LEU CD2 . 34693 1 576 . 1 . 1 41 41 LEU N N 15 119.893 0.3 . 1 . . . . A 301 LEU N . 34693 1 577 . 1 . 1 42 42 SER H H 1 7.114 0.020 . 1 . . . . A 302 SER H . 34693 1 578 . 1 . 1 42 42 SER HA H 1 4.068 0.020 . 1 . . . . A 302 SER HA . 34693 1 579 . 1 . 1 42 42 SER HB2 H 1 3.450 0.020 . 2 . . . . A 302 SER HB2 . 34693 1 580 . 1 . 1 42 42 SER HB3 H 1 3.641 0.020 . 2 . . . . A 302 SER HB3 . 34693 1 581 . 1 . 1 42 42 SER HG H 1 5.160 0.020 . 1 . . . . A 302 SER HG . 34693 1 582 . 1 . 1 42 42 SER C C 13 174.273 0.3 . 1 . . . . A 302 SER C . 34693 1 583 . 1 . 1 42 42 SER CA C 13 58.964 0.3 . 1 . . . . A 302 SER CA . 34693 1 584 . 1 . 1 42 42 SER CB C 13 63.692 0.3 . 1 . . . . A 302 SER CB . 34693 1 585 . 1 . 1 42 42 SER N N 15 115.296 0.3 . 1 . . . . A 302 SER N . 34693 1 586 . 1 . 1 43 43 ASN H H 1 8.583 0.020 . 1 . . . . A 303 ASN H . 34693 1 587 . 1 . 1 43 43 ASN HA H 1 4.693 0.020 . 1 . . . . A 303 ASN HA . 34693 1 588 . 1 . 1 43 43 ASN HB2 H 1 2.796 0.020 . 1 . . . . A 303 ASN HB2 . 34693 1 589 . 1 . 1 43 43 ASN HB3 H 1 2.796 0.020 . 1 . . . . A 303 ASN HB3 . 34693 1 590 . 1 . 1 43 43 ASN HD21 H 1 7.647 0.020 . 1 . . . . A 303 ASN HD21 . 34693 1 591 . 1 . 1 43 43 ASN HD22 H 1 6.977 0.020 . 1 . . . . A 303 ASN HD22 . 34693 1 592 . 1 . 1 43 43 ASN C C 13 175.086 0.3 . 1 . . . . A 303 ASN C . 34693 1 593 . 1 . 1 43 43 ASN CA C 13 54.080 0.3 . 1 . . . . A 303 ASN CA . 34693 1 594 . 1 . 1 43 43 ASN CB C 13 38.565 0.3 . 1 . . . . A 303 ASN CB . 34693 1 595 . 1 . 1 43 43 ASN CG C 13 176.944 0.3 . 1 . . . . A 303 ASN CG . 34693 1 596 . 1 . 1 43 43 ASN N N 15 122.393 0.3 . 1 . . . . A 303 ASN N . 34693 1 597 . 1 . 1 43 43 ASN ND2 N 15 113.140 0.3 . 1 . . . . A 303 ASN ND2 . 34693 1 598 . 1 . 1 44 44 ASP H H 1 8.365 0.020 . 1 . . . . A 304 ASP H . 34693 1 599 . 1 . 1 44 44 ASP HA H 1 4.768 0.020 . 1 . . . . A 304 ASP HA . 34693 1 600 . 1 . 1 44 44 ASP HB2 H 1 2.505 0.020 . 2 . . . . A 304 ASP HB2 . 34693 1 601 . 1 . 1 44 44 ASP HB3 H 1 2.768 0.020 . 2 . . . . A 304 ASP HB3 . 34693 1 602 . 1 . 1 44 44 ASP C C 13 175.800 0.3 . 1 . . . . A 304 ASP C . 34693 1 603 . 1 . 1 44 44 ASP CA C 13 52.226 0.3 . 1 . . . . A 304 ASP CA . 34693 1 604 . 1 . 1 44 44 ASP CB C 13 39.464 0.3 . 1 . . . . A 304 ASP CB . 34693 1 605 . 1 . 1 44 44 ASP N N 15 120.753 0.3 . 1 . . . . A 304 ASP N . 34693 1 606 . 1 . 1 45 45 LYS H H 1 8.204 0.020 . 1 . . . . A 305 LYS H . 34693 1 607 . 1 . 1 45 45 LYS HA H 1 3.505 0.020 . 1 . . . . A 305 LYS HA . 34693 1 608 . 1 . 1 45 45 LYS HB2 H 1 1.061 0.020 . 2 . . . . A 305 LYS HB2 . 34693 1 609 . 1 . 1 45 45 LYS HB3 H 1 1.334 0.020 . 2 . . . . A 305 LYS HB3 . 34693 1 610 . 1 . 1 45 45 LYS HG2 H 1 1.077 0.020 . 1 . . . . A 305 LYS HG2 . 34693 1 611 . 1 . 1 45 45 LYS HG3 H 1 1.077 0.020 . 1 . . . . A 305 LYS HG3 . 34693 1 612 . 1 . 1 45 45 LYS HD2 H 1 1.046 0.020 . 1 . . . . A 305 LYS HD2 . 34693 1 613 . 1 . 1 45 45 LYS HD3 H 1 1.046 0.020 . 1 . . . . A 305 LYS HD3 . 34693 1 614 . 1 . 1 45 45 LYS HE2 H 1 2.824 0.020 . 2 . . . . A 305 LYS HE2 . 34693 1 615 . 1 . 1 45 45 LYS HE3 H 1 2.898 0.020 . 2 . . . . A 305 LYS HE3 . 34693 1 616 . 1 . 1 45 45 LYS C C 13 178.090 0.3 . 1 . . . . A 305 LYS C . 34693 1 617 . 1 . 1 45 45 LYS CA C 13 60.490 0.3 . 1 . . . . A 305 LYS CA . 34693 1 618 . 1 . 1 45 45 LYS CB C 13 31.762 0.3 . 1 . . . . A 305 LYS CB . 34693 1 619 . 1 . 1 45 45 LYS CG C 13 25.871 0.3 . 1 . . . . A 305 LYS CG . 34693 1 620 . 1 . 1 45 45 LYS CD C 13 28.517 0.3 . 1 . . . . A 305 LYS CD . 34693 1 621 . 1 . 1 45 45 LYS CE C 13 42.773 0.3 . 1 . . . . A 305 LYS CE . 34693 1 622 . 1 . 1 45 45 LYS N N 15 123.950 0.3 . 1 . . . . A 305 LYS N . 34693 1 623 . 1 . 1 46 46 ILE H H 1 8.409 0.020 . 1 . . . . A 306 ILE H . 34693 1 624 . 1 . 1 46 46 ILE HA H 1 3.924 0.020 . 1 . . . . A 306 ILE HA . 34693 1 625 . 1 . 1 46 46 ILE HB H 1 2.021 0.020 . 1 . . . . A 306 ILE HB . 34693 1 626 . 1 . 1 46 46 ILE HG12 H 1 1.467 0.020 . 2 . . . . A 306 ILE HG12 . 34693 1 627 . 1 . 1 46 46 ILE HG13 H 1 1.512 0.020 . 2 . . . . A 306 ILE HG13 . 34693 1 628 . 1 . 1 46 46 ILE HG21 H 1 0.863 0.020 . 1 . . . . A 306 ILE HG21 . 34693 1 629 . 1 . 1 46 46 ILE HG22 H 1 0.863 0.020 . 1 . . . . A 306 ILE HG22 . 34693 1 630 . 1 . 1 46 46 ILE HG23 H 1 0.863 0.020 . 1 . . . . A 306 ILE HG23 . 34693 1 631 . 1 . 1 46 46 ILE HD11 H 1 0.821 0.020 . 1 . . . . A 306 ILE HD11 . 34693 1 632 . 1 . 1 46 46 ILE HD12 H 1 0.821 0.020 . 1 . . . . A 306 ILE HD12 . 34693 1 633 . 1 . 1 46 46 ILE HD13 H 1 0.821 0.020 . 1 . . . . A 306 ILE HD13 . 34693 1 634 . 1 . 1 46 46 ILE C C 13 179.185 0.3 . 1 . . . . A 306 ILE C . 34693 1 635 . 1 . 1 46 46 ILE CA C 13 62.209 0.3 . 1 . . . . A 306 ILE CA . 34693 1 636 . 1 . 1 46 46 ILE CB C 13 35.775 0.3 . 1 . . . . A 306 ILE CB . 34693 1 637 . 1 . 1 46 46 ILE CG1 C 13 27.799 0.3 . 1 . . . . A 306 ILE CG1 . 34693 1 638 . 1 . 1 46 46 ILE CG2 C 13 17.703 0.3 . 1 . . . . A 306 ILE CG2 . 34693 1 639 . 1 . 1 46 46 ILE CD1 C 13 9.929 0.3 . 1 . . . . A 306 ILE CD1 . 34693 1 640 . 1 . 1 46 46 ILE N N 15 118.451 0.3 . 1 . . . . A 306 ILE N . 34693 1 641 . 1 . 1 47 47 GLY H H 1 8.012 0.020 . 1 . . . . A 307 GLY H . 34693 1 642 . 1 . 1 47 47 GLY HA2 H 1 3.738 0.020 . 2 . . . . A 307 GLY HA2 . 34693 1 643 . 1 . 1 47 47 GLY HA3 H 1 3.862 0.020 . 2 . . . . A 307 GLY HA3 . 34693 1 644 . 1 . 1 47 47 GLY C C 13 177.243 0.3 . 1 . . . . A 307 GLY C . 34693 1 645 . 1 . 1 47 47 GLY CA C 13 47.213 0.3 . 1 . . . . A 307 GLY CA . 34693 1 646 . 1 . 1 47 47 GLY N N 15 111.037 0.3 . 1 . . . . A 307 GLY N . 34693 1 647 . 1 . 1 48 48 TYR H H 1 8.537 0.020 . 1 . . . . A 308 TYR H . 34693 1 648 . 1 . 1 48 48 TYR HA H 1 4.151 0.020 . 1 . . . . A 308 TYR HA . 34693 1 649 . 1 . 1 48 48 TYR HB2 H 1 3.270 0.020 . 2 . . . . A 308 TYR HB2 . 34693 1 650 . 1 . 1 48 48 TYR HB3 H 1 3.313 0.020 . 2 . . . . A 308 TYR HB3 . 34693 1 651 . 1 . 1 48 48 TYR HD1 H 1 7.167 0.020 . 1 . . . . A 308 TYR HD1 . 34693 1 652 . 1 . 1 48 48 TYR HD2 H 1 7.167 0.020 . 1 . . . . A 308 TYR HD2 . 34693 1 653 . 1 . 1 48 48 TYR HE1 H 1 6.934 0.020 . 1 . . . . A 308 TYR HE1 . 34693 1 654 . 1 . 1 48 48 TYR HE2 H 1 6.934 0.020 . 1 . . . . A 308 TYR HE2 . 34693 1 655 . 1 . 1 48 48 TYR C C 13 178.338 0.3 . 1 . . . . A 308 TYR C . 34693 1 656 . 1 . 1 48 48 TYR CA C 13 62.148 0.3 . 1 . . . . A 308 TYR CA . 34693 1 657 . 1 . 1 48 48 TYR CB C 13 38.308 0.3 . 1 . . . . A 308 TYR CB . 34693 1 658 . 1 . 1 48 48 TYR CD1 C 13 132.424 0.3 . 1 . . . . A 308 TYR CD1 . 34693 1 659 . 1 . 1 48 48 TYR CD2 C 13 132.424 0.3 . 1 . . . . A 308 TYR CD2 . 34693 1 660 . 1 . 1 48 48 TYR CE1 C 13 119.341 0.3 . 1 . . . . A 308 TYR CE1 . 34693 1 661 . 1 . 1 48 48 TYR CE2 C 13 119.341 0.3 . 1 . . . . A 308 TYR CE2 . 34693 1 662 . 1 . 1 48 48 TYR N N 15 123.979 0.3 . 1 . . . . A 308 TYR N . 34693 1 663 . 1 . 1 49 49 LEU H H 1 8.514 0.020 . 1 . . . . A 309 LEU H . 34693 1 664 . 1 . 1 49 49 LEU HA H 1 4.140 0.020 . 1 . . . . A 309 LEU HA . 34693 1 665 . 1 . 1 49 49 LEU HB2 H 1 1.950 0.020 . 1 . . . . A 309 LEU HB2 . 34693 1 666 . 1 . 1 49 49 LEU HB3 H 1 1.950 0.020 . 1 . . . . A 309 LEU HB3 . 34693 1 667 . 1 . 1 49 49 LEU HG H 1 1.954 0.020 . 1 . . . . A 309 LEU HG . 34693 1 668 . 1 . 1 49 49 LEU HD11 H 1 0.762 0.020 . 2 . . . . A 309 LEU HD11 . 34693 1 669 . 1 . 1 49 49 LEU HD12 H 1 0.762 0.020 . 2 . . . . A 309 LEU HD12 . 34693 1 670 . 1 . 1 49 49 LEU HD13 H 1 0.762 0.020 . 2 . . . . A 309 LEU HD13 . 34693 1 671 . 1 . 1 49 49 LEU HD21 H 1 0.721 0.020 . 2 . . . . A 309 LEU HD21 . 34693 1 672 . 1 . 1 49 49 LEU HD22 H 1 0.721 0.020 . 2 . . . . A 309 LEU HD22 . 34693 1 673 . 1 . 1 49 49 LEU HD23 H 1 0.721 0.020 . 2 . . . . A 309 LEU HD23 . 34693 1 674 . 1 . 1 49 49 LEU C C 13 179.218 0.3 . 1 . . . . A 309 LEU C . 34693 1 675 . 1 . 1 49 49 LEU CA C 13 57.229 0.3 . 1 . . . . A 309 LEU CA . 34693 1 676 . 1 . 1 49 49 LEU CB C 13 41.776 0.3 . 1 . . . . A 309 LEU CB . 34693 1 677 . 1 . 1 49 49 LEU CG C 13 26.568 0.3 . 1 . . . . A 309 LEU CG . 34693 1 678 . 1 . 1 49 49 LEU CD1 C 13 22.750 0.3 . 1 . . . . A 309 LEU CD1 . 34693 1 679 . 1 . 1 49 49 LEU CD2 C 13 24.486 0.3 . 1 . . . . A 309 LEU CD2 . 34693 1 680 . 1 . 1 49 49 LEU N N 15 118.926 0.3 . 1 . . . . A 309 LEU N . 34693 1 681 . 1 . 1 50 50 SER H H 1 8.310 0.020 . 1 . . . . A 310 SER H . 34693 1 682 . 1 . 1 50 50 SER HA H 1 4.123 0.020 . 1 . . . . A 310 SER HA . 34693 1 683 . 1 . 1 50 50 SER HB2 H 1 3.952 0.020 . 2 . . . . A 310 SER HB2 . 34693 1 684 . 1 . 1 50 50 SER HB3 H 1 4.048 0.020 . 2 . . . . A 310 SER HB3 . 34693 1 685 . 1 . 1 50 50 SER C C 13 175.601 0.3 . 1 . . . . A 310 SER C . 34693 1 686 . 1 . 1 50 50 SER CA C 13 61.840 0.3 . 1 . . . . A 310 SER CA . 34693 1 687 . 1 . 1 50 50 SER CB C 13 62.715 0.3 . 1 . . . . A 310 SER CB . 34693 1 688 . 1 . 1 50 50 SER N N 15 114.946 0.3 . 1 . . . . A 310 SER N . 34693 1 689 . 1 . 1 51 51 HIS H H 1 7.438 0.020 . 1 . . . . A 311 HIS H . 34693 1 690 . 1 . 1 51 51 HIS HA H 1 4.334 0.020 . 1 . . . . A 311 HIS HA . 34693 1 691 . 1 . 1 51 51 HIS HB2 H 1 2.806 0.020 . 1 . . . . A 311 HIS HB2 . 34693 1 692 . 1 . 1 51 51 HIS HB3 H 1 2.806 0.020 . 1 . . . . A 311 HIS HB3 . 34693 1 693 . 1 . 1 51 51 HIS C C 13 175.186 0.3 . 1 . . . . A 311 HIS C . 34693 1 694 . 1 . 1 51 51 HIS CA C 13 57.245 0.3 . 1 . . . . A 311 HIS CA . 34693 1 695 . 1 . 1 51 51 HIS CB C 13 27.983 0.3 . 1 . . . . A 311 HIS CB . 34693 1 696 . 1 . 1 51 51 HIS N N 15 118.702 0.3 . 1 . . . . A 311 HIS N . 34693 1 697 . 1 . 1 52 52 TYR H H 1 8.224 0.020 . 1 . . . . A 312 TYR H . 34693 1 698 . 1 . 1 52 52 TYR HA H 1 4.483 0.020 . 1 . . . . A 312 TYR HA . 34693 1 699 . 1 . 1 52 52 TYR HB2 H 1 2.610 0.020 . 2 . . . . A 312 TYR HB2 . 34693 1 700 . 1 . 1 52 52 TYR HB3 H 1 3.446 0.020 . 2 . . . . A 312 TYR HB3 . 34693 1 701 . 1 . 1 52 52 TYR HD1 H 1 7.116 0.020 . 1 . . . . A 312 TYR HD1 . 34693 1 702 . 1 . 1 52 52 TYR HD2 H 1 7.116 0.020 . 1 . . . . A 312 TYR HD2 . 34693 1 703 . 1 . 1 52 52 TYR HE1 H 1 6.502 0.020 . 1 . . . . A 312 TYR HE1 . 34693 1 704 . 1 . 1 52 52 TYR HE2 H 1 6.502 0.020 . 1 . . . . A 312 TYR HE2 . 34693 1 705 . 1 . 1 52 52 TYR C C 13 175.966 0.3 . 1 . . . . A 312 TYR C . 34693 1 706 . 1 . 1 52 52 TYR CA C 13 59.116 0.3 . 1 . . . . A 312 TYR CA . 34693 1 707 . 1 . 1 52 52 TYR CB C 13 39.576 0.3 . 1 . . . . A 312 TYR CB . 34693 1 708 . 1 . 1 52 52 TYR CD1 C 13 133.156 0.3 . 1 . . . . A 312 TYR CD1 . 34693 1 709 . 1 . 1 52 52 TYR CD2 C 13 133.156 0.3 . 1 . . . . A 312 TYR CD2 . 34693 1 710 . 1 . 1 52 52 TYR CE1 C 13 119.270 0.3 . 1 . . . . A 312 TYR CE1 . 34693 1 711 . 1 . 1 52 52 TYR CE2 C 13 119.270 0.3 . 1 . . . . A 312 TYR CE2 . 34693 1 712 . 1 . 1 52 52 TYR N N 15 116.317 0.3 . 1 . . . . A 312 TYR N . 34693 1 713 . 1 . 1 53 53 ILE H H 1 6.943 0.020 . 1 . . . . A 313 ILE H . 34693 1 714 . 1 . 1 53 53 ILE HA H 1 3.941 0.020 . 1 . . . . A 313 ILE HA . 34693 1 715 . 1 . 1 53 53 ILE HB H 1 1.911 0.020 . 1 . . . . A 313 ILE HB . 34693 1 716 . 1 . 1 53 53 ILE HG12 H 1 1.340 0.020 . 2 . . . . A 313 ILE HG12 . 34693 1 717 . 1 . 1 53 53 ILE HG13 H 1 1.440 0.020 . 2 . . . . A 313 ILE HG13 . 34693 1 718 . 1 . 1 53 53 ILE HG21 H 1 0.940 0.020 . 1 . . . . A 313 ILE HG21 . 34693 1 719 . 1 . 1 53 53 ILE HG22 H 1 0.940 0.020 . 1 . . . . A 313 ILE HG22 . 34693 1 720 . 1 . 1 53 53 ILE HG23 H 1 0.940 0.020 . 1 . . . . A 313 ILE HG23 . 34693 1 721 . 1 . 1 53 53 ILE HD11 H 1 0.886 0.020 . 1 . . . . A 313 ILE HD11 . 34693 1 722 . 1 . 1 53 53 ILE HD12 H 1 0.886 0.020 . 1 . . . . A 313 ILE HD12 . 34693 1 723 . 1 . 1 53 53 ILE HD13 H 1 0.886 0.020 . 1 . . . . A 313 ILE HD13 . 34693 1 724 . 1 . 1 53 53 ILE C C 13 174.091 0.3 . 1 . . . . A 313 ILE C . 34693 1 725 . 1 . 1 53 53 ILE CA C 13 62.655 0.3 . 1 . . . . A 313 ILE CA . 34693 1 726 . 1 . 1 53 53 ILE CB C 13 38.639 0.3 . 1 . . . . A 313 ILE CB . 34693 1 727 . 1 . 1 53 53 ILE CG1 C 13 27.723 0.3 . 1 . . . . A 313 ILE CG1 . 34693 1 728 . 1 . 1 53 53 ILE CG2 C 13 17.810 0.3 . 1 . . . . A 313 ILE CG2 . 34693 1 729 . 1 . 1 53 53 ILE CD1 C 13 13.819 0.3 . 1 . . . . A 313 ILE CD1 . 34693 1 730 . 1 . 1 53 53 ILE N N 15 116.864 0.3 . 1 . . . . A 313 ILE N . 34693 1 731 . 1 . 1 54 54 ASN H H 1 8.143 0.020 . 1 . . . . A 314 ASN H . 34693 1 732 . 1 . 1 54 54 ASN HA H 1 4.933 0.020 . 1 . . . . A 314 ASN HA . 34693 1 733 . 1 . 1 54 54 ASN HB2 H 1 2.553 0.020 . 2 . . . . A 314 ASN HB2 . 34693 1 734 . 1 . 1 54 54 ASN HB3 H 1 2.899 0.020 . 2 . . . . A 314 ASN HB3 . 34693 1 735 . 1 . 1 54 54 ASN HD21 H 1 7.600 0.020 . 1 . . . . A 314 ASN HD21 . 34693 1 736 . 1 . 1 54 54 ASN HD22 H 1 6.914 0.020 . 1 . . . . A 314 ASN HD22 . 34693 1 737 . 1 . 1 54 54 ASN C C 13 174.505 0.3 . 1 . . . . A 314 ASN C . 34693 1 738 . 1 . 1 54 54 ASN CA C 13 52.148 0.3 . 1 . . . . A 314 ASN CA . 34693 1 739 . 1 . 1 54 54 ASN CB C 13 39.144 0.3 . 1 . . . . A 314 ASN CB . 34693 1 740 . 1 . 1 54 54 ASN CG C 13 177.638 0.3 . 1 . . . . A 314 ASN CG . 34693 1 741 . 1 . 1 54 54 ASN N N 15 115.699 0.3 . 1 . . . . A 314 ASN N . 34693 1 742 . 1 . 1 54 54 ASN ND2 N 15 113.800 0.3 . 1 . . . . A 314 ASN ND2 . 34693 1 743 . 1 . 1 55 55 ASP H H 1 7.697 0.020 . 1 . . . . A 315 ASP H . 34693 1 744 . 1 . 1 55 55 ASP HA H 1 5.055 0.020 . 1 . . . . A 315 ASP HA . 34693 1 745 . 1 . 1 55 55 ASP HB2 H 1 2.656 0.020 . 2 . . . . A 315 ASP HB2 . 34693 1 746 . 1 . 1 55 55 ASP HB3 H 1 3.561 0.020 . 2 . . . . A 315 ASP HB3 . 34693 1 747 . 1 . 1 55 55 ASP C C 13 174.057 0.3 . 1 . . . . A 315 ASP C . 34693 1 748 . 1 . 1 55 55 ASP CA C 13 51.363 0.3 . 1 . . . . A 315 ASP CA . 34693 1 749 . 1 . 1 55 55 ASP CB C 13 42.838 0.3 . 1 . . . . A 315 ASP CB . 34693 1 750 . 1 . 1 55 55 ASP N N 15 123.914 0.3 . 1 . . . . A 315 ASP N . 34693 1 751 . 1 . 1 56 56 PRO HA H 1 4.251 0.020 . 1 . . . . A 316 PRO HA . 34693 1 752 . 1 . 1 56 56 PRO HB2 H 1 2.019 0.020 . 2 . . . . A 316 PRO HB2 . 34693 1 753 . 1 . 1 56 56 PRO HB3 H 1 2.372 0.020 . 2 . . . . A 316 PRO HB3 . 34693 1 754 . 1 . 1 56 56 PRO HG2 H 1 2.040 0.020 . 2 . . . . A 316 PRO HG2 . 34693 1 755 . 1 . 1 56 56 PRO HG3 H 1 2.137 0.020 . 2 . . . . A 316 PRO HG3 . 34693 1 756 . 1 . 1 56 56 PRO HD2 H 1 3.918 0.020 . 2 . . . . A 316 PRO HD2 . 34693 1 757 . 1 . 1 56 56 PRO HD3 H 1 4.211 0.020 . 2 . . . . A 316 PRO HD3 . 34693 1 758 . 1 . 1 56 56 PRO C C 13 179.178 0.3 . 1 . . . . A 316 PRO C . 34693 1 759 . 1 . 1 56 56 PRO CA C 13 65.168 0.3 . 1 . . . . A 316 PRO CA . 34693 1 760 . 1 . 1 56 56 PRO CB C 13 32.187 0.3 . 1 . . . . A 316 PRO CB . 34693 1 761 . 1 . 1 56 56 PRO CG C 13 27.408 0.3 . 1 . . . . A 316 PRO CG . 34693 1 762 . 1 . 1 56 56 PRO CD C 13 50.918 0.3 . 1 . . . . A 316 PRO CD . 34693 1 763 . 1 . 1 57 57 THR H H 1 8.043 0.020 . 1 . . . . A 317 THR H . 34693 1 764 . 1 . 1 57 57 THR HA H 1 3.977 0.020 . 1 . . . . A 317 THR HA . 34693 1 765 . 1 . 1 57 57 THR HB H 1 4.257 0.020 . 1 . . . . A 317 THR HB . 34693 1 766 . 1 . 1 57 57 THR HG21 H 1 1.219 0.020 . 1 . . . . A 317 THR HG21 . 34693 1 767 . 1 . 1 57 57 THR HG22 H 1 1.219 0.020 . 1 . . . . A 317 THR HG22 . 34693 1 768 . 1 . 1 57 57 THR HG23 H 1 1.219 0.020 . 1 . . . . A 317 THR HG23 . 34693 1 769 . 1 . 1 57 57 THR C C 13 176.480 0.3 . 1 . . . . A 317 THR C . 34693 1 770 . 1 . 1 57 57 THR CA C 13 66.223 0.3 . 1 . . . . A 317 THR CA . 34693 1 771 . 1 . 1 57 57 THR CB C 13 68.306 0.3 . 1 . . . . A 317 THR CB . 34693 1 772 . 1 . 1 57 57 THR CG2 C 13 22.502 0.3 . 1 . . . . A 317 THR CG2 . 34693 1 773 . 1 . 1 57 57 THR N N 15 115.058 0.3 . 1 . . . . A 317 THR N . 34693 1 774 . 1 . 1 58 58 ILE H H 1 7.889 0.020 . 1 . . . . A 318 ILE H . 34693 1 775 . 1 . 1 58 58 ILE HA H 1 3.880 0.020 . 1 . . . . A 318 ILE HA . 34693 1 776 . 1 . 1 58 58 ILE HB H 1 2.548 0.020 . 1 . . . . A 318 ILE HB . 34693 1 777 . 1 . 1 58 58 ILE HG12 H 1 1.314 0.020 . 2 . . . . A 318 ILE HG12 . 34693 1 778 . 1 . 1 58 58 ILE HG13 H 1 1.837 0.020 . 2 . . . . A 318 ILE HG13 . 34693 1 779 . 1 . 1 58 58 ILE HG21 H 1 0.838 0.020 . 1 . . . . A 318 ILE HG21 . 34693 1 780 . 1 . 1 58 58 ILE HG22 H 1 0.838 0.020 . 1 . . . . A 318 ILE HG22 . 34693 1 781 . 1 . 1 58 58 ILE HG23 H 1 0.838 0.020 . 1 . . . . A 318 ILE HG23 . 34693 1 782 . 1 . 1 58 58 ILE HD11 H 1 0.315 0.020 . 1 . . . . A 318 ILE HD11 . 34693 1 783 . 1 . 1 58 58 ILE HD12 H 1 0.315 0.020 . 1 . . . . A 318 ILE HD12 . 34693 1 784 . 1 . 1 58 58 ILE HD13 H 1 0.315 0.020 . 1 . . . . A 318 ILE HD13 . 34693 1 785 . 1 . 1 58 58 ILE C C 13 177.924 0.3 . 1 . . . . A 318 ILE C . 34693 1 786 . 1 . 1 58 58 ILE CA C 13 61.005 0.3 . 1 . . . . A 318 ILE CA . 34693 1 787 . 1 . 1 58 58 ILE CB C 13 35.152 0.3 . 1 . . . . A 318 ILE CB . 34693 1 788 . 1 . 1 58 58 ILE CG1 C 13 26.892 0.3 . 1 . . . . A 318 ILE CG1 . 34693 1 789 . 1 . 1 58 58 ILE CG2 C 13 17.033 0.3 . 1 . . . . A 318 ILE CG2 . 34693 1 790 . 1 . 1 58 58 ILE CD1 C 13 8.261 0.3 . 1 . . . . A 318 ILE CD1 . 34693 1 791 . 1 . 1 58 58 ILE N N 15 121.581 0.3 . 1 . . . . A 318 ILE N . 34693 1 792 . 1 . 1 59 59 VAL H H 1 8.875 0.020 . 1 . . . . A 319 VAL H . 34693 1 793 . 1 . 1 59 59 VAL HA H 1 3.564 0.020 . 1 . . . . A 319 VAL HA . 34693 1 794 . 1 . 1 59 59 VAL HB H 1 1.990 0.020 . 1 . . . . A 319 VAL HB . 34693 1 795 . 1 . 1 59 59 VAL HG11 H 1 0.934 0.020 . 2 . . . . A 319 VAL HG11 . 34693 1 796 . 1 . 1 59 59 VAL HG12 H 1 0.934 0.020 . 2 . . . . A 319 VAL HG12 . 34693 1 797 . 1 . 1 59 59 VAL HG13 H 1 0.934 0.020 . 2 . . . . A 319 VAL HG13 . 34693 1 798 . 1 . 1 59 59 VAL HG21 H 1 1.064 0.020 . 2 . . . . A 319 VAL HG21 . 34693 1 799 . 1 . 1 59 59 VAL HG22 H 1 1.064 0.020 . 2 . . . . A 319 VAL HG22 . 34693 1 800 . 1 . 1 59 59 VAL HG23 H 1 1.064 0.020 . 2 . . . . A 319 VAL HG23 . 34693 1 801 . 1 . 1 59 59 VAL C C 13 177.293 0.3 . 1 . . . . A 319 VAL C . 34693 1 802 . 1 . 1 59 59 VAL CA C 13 66.910 0.3 . 1 . . . . A 319 VAL CA . 34693 1 803 . 1 . 1 59 59 VAL CB C 13 31.885 0.3 . 1 . . . . A 319 VAL CB . 34693 1 804 . 1 . 1 59 59 VAL CG1 C 13 21.188 0.3 . 1 . . . . A 319 VAL CG1 . 34693 1 805 . 1 . 1 59 59 VAL CG2 C 13 23.851 0.3 . 1 . . . . A 319 VAL CG2 . 34693 1 806 . 1 . 1 59 59 VAL N N 15 121.332 0.3 . 1 . . . . A 319 VAL N . 34693 1 807 . 1 . 1 60 60 GLN H H 1 7.638 0.020 . 1 . . . . A 320 GLN H . 34693 1 808 . 1 . 1 60 60 GLN HA H 1 4.165 0.020 . 1 . . . . A 320 GLN HA . 34693 1 809 . 1 . 1 60 60 GLN HB2 H 1 2.175 0.020 . 1 . . . . A 320 GLN HB2 . 34693 1 810 . 1 . 1 60 60 GLN HB3 H 1 2.175 0.020 . 1 . . . . A 320 GLN HB3 . 34693 1 811 . 1 . 1 60 60 GLN HG2 H 1 2.154 0.020 . 2 . . . . A 320 GLN HG2 . 34693 1 812 . 1 . 1 60 60 GLN HG3 H 1 2.528 0.020 . 2 . . . . A 320 GLN HG3 . 34693 1 813 . 1 . 1 60 60 GLN HE21 H 1 7.680 0.020 . 1 . . . . A 320 GLN HE21 . 34693 1 814 . 1 . 1 60 60 GLN HE22 H 1 6.894 0.020 . 1 . . . . A 320 GLN HE22 . 34693 1 815 . 1 . 1 60 60 GLN C C 13 179.102 0.3 . 1 . . . . A 320 GLN C . 34693 1 816 . 1 . 1 60 60 GLN CA C 13 58.904 0.3 . 1 . . . . A 320 GLN CA . 34693 1 817 . 1 . 1 60 60 GLN CB C 13 28.778 0.3 . 1 . . . . A 320 GLN CB . 34693 1 818 . 1 . 1 60 60 GLN CG C 13 33.756 0.3 . 1 . . . . A 320 GLN CG . 34693 1 819 . 1 . 1 60 60 GLN CD C 13 179.782 0.3 . 1 . . . . A 320 GLN CD . 34693 1 820 . 1 . 1 60 60 GLN N N 15 115.919 0.3 . 1 . . . . A 320 GLN N . 34693 1 821 . 1 . 1 60 60 GLN NE2 N 15 112.185 0.3 . 1 . . . . A 320 GLN NE2 . 34693 1 822 . 1 . 1 61 61 VAL H H 1 7.319 0.020 . 1 . . . . A 321 VAL H . 34693 1 823 . 1 . 1 61 61 VAL HA H 1 3.852 0.020 . 1 . . . . A 321 VAL HA . 34693 1 824 . 1 . 1 61 61 VAL HB H 1 2.284 0.020 . 1 . . . . A 321 VAL HB . 34693 1 825 . 1 . 1 61 61 VAL HG11 H 1 1.094 0.020 . 2 . . . . A 321 VAL HG11 . 34693 1 826 . 1 . 1 61 61 VAL HG12 H 1 1.094 0.020 . 2 . . . . A 321 VAL HG12 . 34693 1 827 . 1 . 1 61 61 VAL HG13 H 1 1.094 0.020 . 2 . . . . A 321 VAL HG13 . 34693 1 828 . 1 . 1 61 61 VAL HG21 H 1 1.069 0.020 . 2 . . . . A 321 VAL HG21 . 34693 1 829 . 1 . 1 61 61 VAL HG22 H 1 1.069 0.020 . 2 . . . . A 321 VAL HG22 . 34693 1 830 . 1 . 1 61 61 VAL HG23 H 1 1.069 0.020 . 2 . . . . A 321 VAL HG23 . 34693 1 831 . 1 . 1 61 61 VAL C C 13 176.746 0.3 . 1 . . . . A 321 VAL C . 34693 1 832 . 1 . 1 61 61 VAL CA C 13 66.005 0.3 . 1 . . . . A 321 VAL CA . 34693 1 833 . 1 . 1 61 61 VAL CB C 13 31.394 0.3 . 1 . . . . A 321 VAL CB . 34693 1 834 . 1 . 1 61 61 VAL CG1 C 13 21.848 0.3 . 1 . . . . A 321 VAL CG1 . 34693 1 835 . 1 . 1 61 61 VAL CG2 C 13 23.507 0.3 . 1 . . . . A 321 VAL CG2 . 34693 1 836 . 1 . 1 61 61 VAL N N 15 117.832 0.3 . 1 . . . . A 321 VAL N . 34693 1 837 . 1 . 1 62 62 ILE H H 1 8.429 0.020 . 1 . . . . A 322 ILE H . 34693 1 838 . 1 . 1 62 62 ILE HA H 1 3.591 0.020 . 1 . . . . A 322 ILE HA . 34693 1 839 . 1 . 1 62 62 ILE HB H 1 2.038 0.020 . 1 . . . . A 322 ILE HB . 34693 1 840 . 1 . 1 62 62 ILE HG12 H 1 1.278 0.020 . 2 . . . . A 322 ILE HG12 . 34693 1 841 . 1 . 1 62 62 ILE HG13 H 1 1.689 0.020 . 2 . . . . A 322 ILE HG13 . 34693 1 842 . 1 . 1 62 62 ILE HG21 H 1 0.892 0.020 . 1 . . . . A 322 ILE HG21 . 34693 1 843 . 1 . 1 62 62 ILE HG22 H 1 0.892 0.020 . 1 . . . . A 322 ILE HG22 . 34693 1 844 . 1 . 1 62 62 ILE HG23 H 1 0.892 0.020 . 1 . . . . A 322 ILE HG23 . 34693 1 845 . 1 . 1 62 62 ILE HD11 H 1 0.727 0.020 . 1 . . . . A 322 ILE HD11 . 34693 1 846 . 1 . 1 62 62 ILE HD12 H 1 0.727 0.020 . 1 . . . . A 322 ILE HD12 . 34693 1 847 . 1 . 1 62 62 ILE HD13 H 1 0.727 0.020 . 1 . . . . A 322 ILE HD13 . 34693 1 848 . 1 . 1 62 62 ILE C C 13 177.492 0.3 . 1 . . . . A 322 ILE C . 34693 1 849 . 1 . 1 62 62 ILE CA C 13 65.688 0.3 . 1 . . . . A 322 ILE CA . 34693 1 850 . 1 . 1 62 62 ILE CB C 13 36.699 0.3 . 1 . . . . A 322 ILE CB . 34693 1 851 . 1 . 1 62 62 ILE CG1 C 13 28.476 0.3 . 1 . . . . A 322 ILE CG1 . 34693 1 852 . 1 . 1 62 62 ILE CG2 C 13 17.649 0.3 . 1 . . . . A 322 ILE CG2 . 34693 1 853 . 1 . 1 62 62 ILE CD1 C 13 12.785 0.3 . 1 . . . . A 322 ILE CD1 . 34693 1 854 . 1 . 1 62 62 ILE N N 15 122.025 0.3 . 1 . . . . A 322 ILE N . 34693 1 855 . 1 . 1 63 63 ASP H H 1 8.925 0.020 . 1 . . . . A 323 ASP H . 34693 1 856 . 1 . 1 63 63 ASP HA H 1 4.348 0.020 . 1 . . . . A 323 ASP HA . 34693 1 857 . 1 . 1 63 63 ASP HB2 H 1 2.563 0.020 . 2 . . . . A 323 ASP HB2 . 34693 1 858 . 1 . 1 63 63 ASP HB3 H 1 2.789 0.020 . 2 . . . . A 323 ASP HB3 . 34693 1 859 . 1 . 1 63 63 ASP C C 13 178.969 0.3 . 1 . . . . A 323 ASP C . 34693 1 860 . 1 . 1 63 63 ASP CA C 13 57.301 0.3 . 1 . . . . A 323 ASP CA . 34693 1 861 . 1 . 1 63 63 ASP CB C 13 40.234 0.3 . 1 . . . . A 323 ASP CB . 34693 1 862 . 1 . 1 63 63 ASP N N 15 119.286 0.3 . 1 . . . . A 323 ASP N . 34693 1 863 . 1 . 1 64 64 HIS H H 1 7.770 0.020 . 1 . . . . A 324 HIS H . 34693 1 864 . 1 . 1 64 64 HIS HA H 1 4.118 0.020 . 1 . . . . A 324 HIS HA . 34693 1 865 . 1 . 1 64 64 HIS HB2 H 1 3.151 0.020 . 1 . . . . A 324 HIS HB2 . 34693 1 866 . 1 . 1 64 64 HIS HB3 H 1 3.151 0.020 . 1 . . . . A 324 HIS HB3 . 34693 1 867 . 1 . 1 64 64 HIS HD2 H 1 6.569 0.020 . 1 . . . . A 324 HIS HD2 . 34693 1 868 . 1 . 1 64 64 HIS HE1 H 1 7.917 0.020 . 1 . . . . A 324 HIS HE1 . 34693 1 869 . 1 . 1 64 64 HIS C C 13 178.893 0.3 . 1 . . . . A 324 HIS C . 34693 1 870 . 1 . 1 64 64 HIS CA C 13 60.630 0.3 . 1 . . . . A 324 HIS CA . 34693 1 871 . 1 . 1 64 64 HIS CB C 13 30.933 0.3 . 1 . . . . A 324 HIS CB . 34693 1 872 . 1 . 1 64 64 HIS CD2 C 13 116.722 0.3 . 1 . . . . A 324 HIS CD2 . 34693 1 873 . 1 . 1 64 64 HIS CE1 C 13 138.603 0.3 . 1 . . . . A 324 HIS CE1 . 34693 1 874 . 1 . 1 64 64 HIS N N 15 118.684 0.3 . 1 . . . . A 324 HIS N . 34693 1 875 . 1 . 1 65 65 ILE H H 1 8.776 0.020 . 1 . . . . A 325 ILE H . 34693 1 876 . 1 . 1 65 65 ILE HA H 1 3.291 0.020 . 1 . . . . A 325 ILE HA . 34693 1 877 . 1 . 1 65 65 ILE HB H 1 2.025 0.020 . 1 . . . . A 325 ILE HB . 34693 1 878 . 1 . 1 65 65 ILE HG12 H 1 0.834 0.020 . 2 . . . . A 325 ILE HG12 . 34693 1 879 . 1 . 1 65 65 ILE HG13 H 1 2.134 0.020 . 2 . . . . A 325 ILE HG13 . 34693 1 880 . 1 . 1 65 65 ILE HG21 H 1 0.859 0.020 . 1 . . . . A 325 ILE HG21 . 34693 1 881 . 1 . 1 65 65 ILE HG22 H 1 0.859 0.020 . 1 . . . . A 325 ILE HG22 . 34693 1 882 . 1 . 1 65 65 ILE HG23 H 1 0.859 0.020 . 1 . . . . A 325 ILE HG23 . 34693 1 883 . 1 . 1 65 65 ILE HD11 H 1 0.838 0.020 . 1 . . . . A 325 ILE HD11 . 34693 1 884 . 1 . 1 65 65 ILE HD12 H 1 0.838 0.020 . 1 . . . . A 325 ILE HD12 . 34693 1 885 . 1 . 1 65 65 ILE HD13 H 1 0.838 0.020 . 1 . . . . A 325 ILE HD13 . 34693 1 886 . 1 . 1 65 65 ILE C C 13 176.978 0.3 . 1 . . . . A 325 ILE C . 34693 1 887 . 1 . 1 65 65 ILE CA C 13 66.894 0.3 . 1 . . . . A 325 ILE CA . 34693 1 888 . 1 . 1 65 65 ILE CB C 13 38.329 0.3 . 1 . . . . A 325 ILE CB . 34693 1 889 . 1 . 1 65 65 ILE CG1 C 13 31.208 0.3 . 1 . . . . A 325 ILE CG1 . 34693 1 890 . 1 . 1 65 65 ILE CG2 C 13 16.605 0.3 . 1 . . . . A 325 ILE CG2 . 34693 1 891 . 1 . 1 65 65 ILE CD1 C 13 15.206 0.3 . 1 . . . . A 325 ILE CD1 . 34693 1 892 . 1 . 1 65 65 ILE N N 15 122.274 0.3 . 1 . . . . A 325 ILE N . 34693 1 893 . 1 . 1 66 66 MET H H 1 8.136 0.020 . 1 . . . . A 326 MET H . 34693 1 894 . 1 . 1 66 66 MET HA H 1 4.343 0.020 . 1 . . . . A 326 MET HA . 34693 1 895 . 1 . 1 66 66 MET HB2 H 1 1.880 0.020 . 2 . . . . A 326 MET HB2 . 34693 1 896 . 1 . 1 66 66 MET HB3 H 1 2.088 0.020 . 2 . . . . A 326 MET HB3 . 34693 1 897 . 1 . 1 66 66 MET HG2 H 1 2.522 0.020 . 1 . . . . A 326 MET HG2 . 34693 1 898 . 1 . 1 66 66 MET HG3 H 1 2.522 0.020 . 1 . . . . A 326 MET HG3 . 34693 1 899 . 1 . 1 66 66 MET HE1 H 1 1.604 0.020 . 1 . . . . A 326 MET HE1 . 34693 1 900 . 1 . 1 66 66 MET HE2 H 1 1.604 0.020 . 1 . . . . A 326 MET HE2 . 34693 1 901 . 1 . 1 66 66 MET HE3 H 1 1.604 0.020 . 1 . . . . A 326 MET HE3 . 34693 1 902 . 1 . 1 66 66 MET C C 13 179.052 0.3 . 1 . . . . A 326 MET C . 34693 1 903 . 1 . 1 66 66 MET CA C 13 56.423 0.3 . 1 . . . . A 326 MET CA . 34693 1 904 . 1 . 1 66 66 MET CB C 13 29.445 0.3 . 1 . . . . A 326 MET CB . 34693 1 905 . 1 . 1 66 66 MET CG C 13 31.787 0.3 . 1 . . . . A 326 MET CG . 34693 1 906 . 1 . 1 66 66 MET CE C 13 16.313 0.3 . 1 . . . . A 326 MET CE . 34693 1 907 . 1 . 1 66 66 MET N N 15 114.591 0.3 . 1 . . . . A 326 MET N . 34693 1 908 . 1 . 1 67 67 LYS H H 1 7.900 0.020 . 1 . . . . A 327 LYS H . 34693 1 909 . 1 . 1 67 67 LYS HA H 1 4.114 0.020 . 1 . . . . A 327 LYS HA . 34693 1 910 . 1 . 1 67 67 LYS HB2 H 1 1.780 0.020 . 1 . . . . A 327 LYS HB2 . 34693 1 911 . 1 . 1 67 67 LYS HB3 H 1 1.780 0.020 . 1 . . . . A 327 LYS HB3 . 34693 1 912 . 1 . 1 67 67 LYS HG2 H 1 1.375 0.020 . 2 . . . . A 327 LYS HG2 . 34693 1 913 . 1 . 1 67 67 LYS HG3 H 1 1.462 0.020 . 2 . . . . A 327 LYS HG3 . 34693 1 914 . 1 . 1 67 67 LYS HD2 H 1 1.607 0.020 . 1 . . . . A 327 LYS HD2 . 34693 1 915 . 1 . 1 67 67 LYS HD3 H 1 1.607 0.020 . 1 . . . . A 327 LYS HD3 . 34693 1 916 . 1 . 1 67 67 LYS HE2 H 1 2.920 0.020 . 1 . . . . A 327 LYS HE2 . 34693 1 917 . 1 . 1 67 67 LYS HE3 H 1 2.920 0.020 . 1 . . . . A 327 LYS HE3 . 34693 1 918 . 1 . 1 67 67 LYS C C 13 178.969 0.3 . 1 . . . . A 327 LYS C . 34693 1 919 . 1 . 1 67 67 LYS CA C 13 58.649 0.3 . 1 . . . . A 327 LYS CA . 34693 1 920 . 1 . 1 67 67 LYS CB C 13 32.207 0.3 . 1 . . . . A 327 LYS CB . 34693 1 921 . 1 . 1 67 67 LYS CG C 13 24.893 0.3 . 1 . . . . A 327 LYS CG . 34693 1 922 . 1 . 1 67 67 LYS CD C 13 29.041 0.3 . 1 . . . . A 327 LYS CD . 34693 1 923 . 1 . 1 67 67 LYS CE C 13 41.870 0.3 . 1 . . . . A 327 LYS CE . 34693 1 924 . 1 . 1 67 67 LYS N N 15 119.502 0.3 . 1 . . . . A 327 LYS N . 34693 1 925 . 1 . 1 68 68 THR H H 1 7.955 0.020 . 1 . . . . A 328 THR H . 34693 1 926 . 1 . 1 68 68 THR HA H 1 3.790 0.020 . 1 . . . . A 328 THR HA . 34693 1 927 . 1 . 1 68 68 THR HB H 1 4.231 0.020 . 1 . . . . A 328 THR HB . 34693 1 928 . 1 . 1 68 68 THR HG21 H 1 1.092 0.020 . 1 . . . . A 328 THR HG21 . 34693 1 929 . 1 . 1 68 68 THR HG22 H 1 1.092 0.020 . 1 . . . . A 328 THR HG22 . 34693 1 930 . 1 . 1 68 68 THR HG23 H 1 1.092 0.020 . 1 . . . . A 328 THR HG23 . 34693 1 931 . 1 . 1 68 68 THR C C 13 175.866 0.3 . 1 . . . . A 328 THR C . 34693 1 932 . 1 . 1 68 68 THR CA C 13 66.825 0.3 . 1 . . . . A 328 THR CA . 34693 1 933 . 1 . 1 68 68 THR CB C 13 68.263 0.3 . 1 . . . . A 328 THR CB . 34693 1 934 . 1 . 1 68 68 THR CG2 C 13 21.993 0.3 . 1 . . . . A 328 THR CG2 . 34693 1 935 . 1 . 1 68 68 THR N N 15 116.904 0.3 . 1 . . . . A 328 THR N . 34693 1 936 . 1 . 1 69 69 ILE H H 1 7.598 0.020 . 1 . . . . A 329 ILE H . 34693 1 937 . 1 . 1 69 69 ILE HA H 1 4.185 0.020 . 1 . . . . A 329 ILE HA . 34693 1 938 . 1 . 1 69 69 ILE HB H 1 1.973 0.020 . 1 . . . . A 329 ILE HB . 34693 1 939 . 1 . 1 69 69 ILE HG12 H 1 1.258 0.020 . 2 . . . . A 329 ILE HG12 . 34693 1 940 . 1 . 1 69 69 ILE HG13 H 1 1.517 0.020 . 2 . . . . A 329 ILE HG13 . 34693 1 941 . 1 . 1 69 69 ILE HG21 H 1 0.866 0.020 . 1 . . . . A 329 ILE HG21 . 34693 1 942 . 1 . 1 69 69 ILE HG22 H 1 0.866 0.020 . 1 . . . . A 329 ILE HG22 . 34693 1 943 . 1 . 1 69 69 ILE HG23 H 1 0.866 0.020 . 1 . . . . A 329 ILE HG23 . 34693 1 944 . 1 . 1 69 69 ILE HD11 H 1 0.662 0.020 . 1 . . . . A 329 ILE HD11 . 34693 1 945 . 1 . 1 69 69 ILE HD12 H 1 0.662 0.020 . 1 . . . . A 329 ILE HD12 . 34693 1 946 . 1 . 1 69 69 ILE HD13 H 1 0.662 0.020 . 1 . . . . A 329 ILE HD13 . 34693 1 947 . 1 . 1 69 69 ILE C C 13 175.783 0.3 . 1 . . . . A 329 ILE C . 34693 1 948 . 1 . 1 69 69 ILE CA C 13 62.645 0.3 . 1 . . . . A 329 ILE CA . 34693 1 949 . 1 . 1 69 69 ILE CB C 13 37.987 0.3 . 1 . . . . A 329 ILE CB . 34693 1 950 . 1 . 1 69 69 ILE CG1 C 13 25.463 0.3 . 1 . . . . A 329 ILE CG1 . 34693 1 951 . 1 . 1 69 69 ILE CG2 C 13 17.958 0.3 . 1 . . . . A 329 ILE CG2 . 34693 1 952 . 1 . 1 69 69 ILE CD1 C 13 14.293 0.3 . 1 . . . . A 329 ILE CD1 . 34693 1 953 . 1 . 1 69 69 ILE N N 15 111.181 0.3 . 1 . . . . A 329 ILE N . 34693 1 954 . 1 . 1 70 70 ASP H H 1 7.342 0.020 . 1 . . . . A 330 ASP H . 34693 1 955 . 1 . 1 70 70 ASP HA H 1 4.568 0.020 . 1 . . . . A 330 ASP HA . 34693 1 956 . 1 . 1 70 70 ASP HB2 H 1 2.748 0.020 . 2 . . . . A 330 ASP HB2 . 34693 1 957 . 1 . 1 70 70 ASP HB3 H 1 2.791 0.020 . 2 . . . . A 330 ASP HB3 . 34693 1 958 . 1 . 1 70 70 ASP C C 13 175.932 0.3 . 1 . . . . A 330 ASP C . 34693 1 959 . 1 . 1 70 70 ASP CA C 13 55.005 0.3 . 1 . . . . A 330 ASP CA . 34693 1 960 . 1 . 1 70 70 ASP CB C 13 41.198 0.3 . 1 . . . . A 330 ASP CB . 34693 1 961 . 1 . 1 70 70 ASP N N 15 122.381 0.3 . 1 . . . . A 330 ASP N . 34693 1 962 . 1 . 1 71 71 ASP H H 1 8.179 0.020 . 1 . . . . A 331 ASP H . 34693 1 963 . 1 . 1 71 71 ASP HA H 1 4.680 0.020 . 1 . . . . A 331 ASP HA . 34693 1 964 . 1 . 1 71 71 ASP HB2 H 1 2.673 0.020 . 1 . . . . A 331 ASP HB2 . 34693 1 965 . 1 . 1 71 71 ASP HB3 H 1 2.673 0.020 . 1 . . . . A 331 ASP HB3 . 34693 1 966 . 1 . 1 71 71 ASP C C 13 175.767 0.3 . 1 . . . . A 331 ASP C . 34693 1 967 . 1 . 1 71 71 ASP CA C 13 53.909 0.3 . 1 . . . . A 331 ASP CA . 34693 1 968 . 1 . 1 71 71 ASP CB C 13 40.858 0.3 . 1 . . . . A 331 ASP CB . 34693 1 969 . 1 . 1 71 71 ASP N N 15 122.796 0.3 . 1 . . . . A 331 ASP N . 34693 1 970 . 1 . 1 72 72 THR H H 1 7.802 0.020 . 1 . . . . A 332 THR H . 34693 1 971 . 1 . 1 72 72 THR HA H 1 4.041 0.020 . 1 . . . . A 332 THR HA . 34693 1 972 . 1 . 1 72 72 THR HB H 1 4.169 0.020 . 1 . . . . A 332 THR HB . 34693 1 973 . 1 . 1 72 72 THR HG21 H 1 1.135 0.020 . 1 . . . . A 332 THR HG21 . 34693 1 974 . 1 . 1 72 72 THR HG22 H 1 1.135 0.020 . 1 . . . . A 332 THR HG22 . 34693 1 975 . 1 . 1 72 72 THR HG23 H 1 1.135 0.020 . 1 . . . . A 332 THR HG23 . 34693 1 976 . 1 . 1 72 72 THR C C 13 179.531 0.3 . 1 . . . . A 332 THR C . 34693 1 977 . 1 . 1 72 72 THR CA C 13 63.836 0.3 . 1 . . . . A 332 THR CA . 34693 1 978 . 1 . 1 72 72 THR CB C 13 70.546 0.3 . 1 . . . . A 332 THR CB . 34693 1 979 . 1 . 1 72 72 THR CG2 C 13 22.019 0.3 . 1 . . . . A 332 THR CG2 . 34693 1 980 . 1 . 1 72 72 THR N N 15 119.112 0.3 . 1 . . . . A 332 THR N . 34693 1 981 . 2 . 2 1 1 ASP HA H 1 4.777 0.020 . 1 . . . . B 817 ASP HA . 34693 1 982 . 2 . 2 1 1 ASP HB2 H 1 2.776 0.020 . 1 . . . . B 817 ASP HB2 . 34693 1 983 . 2 . 2 1 1 ASP HB3 H 1 2.776 0.020 . 1 . . . . B 817 ASP HB3 . 34693 1 984 . 2 . 2 1 1 ASP C C 13 176.110 0.3 . 1 . . . . B 817 ASP C . 34693 1 985 . 2 . 2 1 1 ASP CA C 13 53.245 0.3 . 1 . . . . B 817 ASP CA . 34693 1 986 . 2 . 2 1 1 ASP CB C 13 41.294 0.3 . 1 . . . . B 817 ASP CB . 34693 1 987 . 2 . 2 2 2 ILE H H 1 8.319 0.020 . 1 . . . . B 818 ILE H . 34693 1 988 . 2 . 2 2 2 ILE HA H 1 3.923 0.020 . 1 . . . . B 818 ILE HA . 34693 1 989 . 2 . 2 2 2 ILE HB H 1 1.704 0.020 . 1 . . . . B 818 ILE HB . 34693 1 990 . 2 . 2 2 2 ILE HG12 H 1 0.943 0.020 . 2 . . . . B 818 ILE HG12 . 34693 1 991 . 2 . 2 2 2 ILE HG13 H 1 0.993 0.020 . 2 . . . . B 818 ILE HG13 . 34693 1 992 . 2 . 2 2 2 ILE HG21 H 1 0.700 0.020 . 1 . . . . B 818 ILE HG21 . 34693 1 993 . 2 . 2 2 2 ILE HG22 H 1 0.700 0.020 . 1 . . . . B 818 ILE HG22 . 34693 1 994 . 2 . 2 2 2 ILE HG23 H 1 0.700 0.020 . 1 . . . . B 818 ILE HG23 . 34693 1 995 . 2 . 2 2 2 ILE HD11 H 1 0.668 0.020 . 1 . . . . B 818 ILE HD11 . 34693 1 996 . 2 . 2 2 2 ILE HD12 H 1 0.668 0.020 . 1 . . . . B 818 ILE HD12 . 34693 1 997 . 2 . 2 2 2 ILE HD13 H 1 0.668 0.020 . 1 . . . . B 818 ILE HD13 . 34693 1 998 . 2 . 2 2 2 ILE C C 13 175.518 0.3 . 1 . . . . B 818 ILE C . 34693 1 999 . 2 . 2 2 2 ILE CA C 13 62.919 0.3 . 1 . . . . B 818 ILE CA . 34693 1 1000 . 2 . 2 2 2 ILE CB C 13 37.971 0.3 . 1 . . . . B 818 ILE CB . 34693 1 1001 . 2 . 2 2 2 ILE CG1 C 13 26.506 0.3 . 1 . . . . B 818 ILE CG1 . 34693 1 1002 . 2 . 2 2 2 ILE CG2 C 13 17.498 0.3 . 1 . . . . B 818 ILE CG2 . 34693 1 1003 . 2 . 2 2 2 ILE CD1 C 13 13.635 0.3 . 1 . . . . B 818 ILE CD1 . 34693 1 1004 . 2 . 2 2 2 ILE N N 15 119.906 0.3 . 1 . . . . B 818 ILE N . 34693 1 1005 . 2 . 2 3 3 TYR H H 1 7.825 0.020 . 1 . . . . B 819 TYR H . 34693 1 1006 . 2 . 2 3 3 TYR HA H 1 4.424 0.020 . 1 . . . . B 819 TYR HA . 34693 1 1007 . 2 . 2 3 3 TYR HB2 H 1 2.962 0.020 . 2 . . . . B 819 TYR HB2 . 34693 1 1008 . 2 . 2 3 3 TYR HB3 H 1 3.101 0.020 . 2 . . . . B 819 TYR HB3 . 34693 1 1009 . 2 . 2 3 3 TYR HD1 H 1 7.167 0.020 . 1 . . . . B 819 TYR HD1 . 34693 1 1010 . 2 . 2 3 3 TYR HD2 H 1 7.167 0.020 . 1 . . . . B 819 TYR HD2 . 34693 1 1011 . 2 . 2 3 3 TYR HE1 H 1 6.781 0.020 . 1 . . . . B 819 TYR HE1 . 34693 1 1012 . 2 . 2 3 3 TYR HE2 H 1 6.781 0.020 . 1 . . . . B 819 TYR HE2 . 34693 1 1013 . 2 . 2 3 3 TYR C C 13 178.156 0.3 . 1 . . . . B 819 TYR C . 34693 1 1014 . 2 . 2 3 3 TYR CA C 13 59.655 0.3 . 1 . . . . B 819 TYR CA . 34693 1 1015 . 2 . 2 3 3 TYR CB C 13 37.921 0.3 . 1 . . . . B 819 TYR CB . 34693 1 1016 . 2 . 2 3 3 TYR CD1 C 13 133.068 0.3 . 1 . . . . B 819 TYR CD1 . 34693 1 1017 . 2 . 2 3 3 TYR CD2 C 13 133.068 0.3 . 1 . . . . B 819 TYR CD2 . 34693 1 1018 . 2 . 2 3 3 TYR CE1 C 13 118.145 0.3 . 1 . . . . B 819 TYR CE1 . 34693 1 1019 . 2 . 2 3 3 TYR CE2 C 13 118.145 0.3 . 1 . . . . B 819 TYR CE2 . 34693 1 1020 . 2 . 2 3 3 TYR N N 15 120.003 0.3 . 1 . . . . B 819 TYR N . 34693 1 1021 . 2 . 2 4 4 THR H H 1 8.063 0.020 . 1 . . . . B 820 THR H . 34693 1 1022 . 2 . 2 4 4 THR HA H 1 3.893 0.020 . 1 . . . . B 820 THR HA . 34693 1 1023 . 2 . 2 4 4 THR HB H 1 3.970 0.020 . 1 . . . . B 820 THR HB . 34693 1 1024 . 2 . 2 4 4 THR HG21 H 1 1.030 0.020 . 1 . . . . B 820 THR HG21 . 34693 1 1025 . 2 . 2 4 4 THR HG22 H 1 1.030 0.020 . 1 . . . . B 820 THR HG22 . 34693 1 1026 . 2 . 2 4 4 THR HG23 H 1 1.030 0.020 . 1 . . . . B 820 THR HG23 . 34693 1 1027 . 2 . 2 4 4 THR C C 13 175.136 0.3 . 1 . . . . B 820 THR C . 34693 1 1028 . 2 . 2 4 4 THR CA C 13 65.442 0.3 . 1 . . . . B 820 THR CA . 34693 1 1029 . 2 . 2 4 4 THR CB C 13 68.633 0.3 . 1 . . . . B 820 THR CB . 34693 1 1030 . 2 . 2 4 4 THR CG2 C 13 21.835 0.3 . 1 . . . . B 820 THR CG2 . 34693 1 1031 . 2 . 2 4 4 THR N N 15 116.855 0.3 . 1 . . . . B 820 THR N . 34693 1 1032 . 2 . 2 5 5 TYR H H 1 7.946 0.020 . 1 . . . . B 821 TYR H . 34693 1 1033 . 2 . 2 5 5 TYR HA H 1 4.395 0.020 . 1 . . . . B 821 TYR HA . 34693 1 1034 . 2 . 2 5 5 TYR HB2 H 1 2.870 0.020 . 2 . . . . B 821 TYR HB2 . 34693 1 1035 . 2 . 2 5 5 TYR HB3 H 1 3.171 0.020 . 2 . . . . B 821 TYR HB3 . 34693 1 1036 . 2 . 2 5 5 TYR HD1 H 1 7.033 0.020 . 1 . . . . B 821 TYR HD1 . 34693 1 1037 . 2 . 2 5 5 TYR HD2 H 1 7.033 0.020 . 1 . . . . B 821 TYR HD2 . 34693 1 1038 . 2 . 2 5 5 TYR HE1 H 1 6.708 0.020 . 1 . . . . B 821 TYR HE1 . 34693 1 1039 . 2 . 2 5 5 TYR HE2 H 1 6.708 0.020 . 1 . . . . B 821 TYR HE2 . 34693 1 1040 . 2 . 2 5 5 TYR C C 13 175.684 0.3 . 1 . . . . B 821 TYR C . 34693 1 1041 . 2 . 2 5 5 TYR CA C 13 59.287 0.3 . 1 . . . . B 821 TYR CA . 34693 1 1042 . 2 . 2 5 5 TYR CB C 13 38.243 0.3 . 1 . . . . B 821 TYR CB . 34693 1 1043 . 2 . 2 5 5 TYR CD1 C 13 133.376 0.3 . 1 . . . . B 821 TYR CD1 . 34693 1 1044 . 2 . 2 5 5 TYR CD2 C 13 133.376 0.3 . 1 . . . . B 821 TYR CD2 . 34693 1 1045 . 2 . 2 5 5 TYR CE1 C 13 118.133 0.3 . 1 . . . . B 821 TYR CE1 . 34693 1 1046 . 2 . 2 5 5 TYR CE2 C 13 118.133 0.3 . 1 . . . . B 821 TYR CE2 . 34693 1 1047 . 2 . 2 5 5 TYR N N 15 120.769 0.3 . 1 . . . . B 821 TYR N . 34693 1 1048 . 2 . 2 6 6 GLU H H 1 7.941 0.020 . 1 . . . . B 822 GLU H . 34693 1 1049 . 2 . 2 6 6 GLU HA H 1 3.830 0.020 . 1 . . . . B 822 GLU HA . 34693 1 1050 . 2 . 2 6 6 GLU HB2 H 1 2.034 0.020 . 2 . . . . B 822 GLU HB2 . 34693 1 1051 . 2 . 2 6 6 GLU HB3 H 1 2.241 0.020 . 2 . . . . B 822 GLU HB3 . 34693 1 1052 . 2 . 2 6 6 GLU HG2 H 1 2.241 0.020 . 2 . . . . B 822 GLU HG2 . 34693 1 1053 . 2 . 2 6 6 GLU HG3 H 1 2.474 0.020 . 2 . . . . B 822 GLU HG3 . 34693 1 1054 . 2 . 2 6 6 GLU C C 13 177.841 0.3 . 1 . . . . B 822 GLU C . 34693 1 1055 . 2 . 2 6 6 GLU CA C 13 60.113 0.3 . 1 . . . . B 822 GLU CA . 34693 1 1056 . 2 . 2 6 6 GLU CB C 13 29.896 0.3 . 1 . . . . B 822 GLU CB . 34693 1 1057 . 2 . 2 6 6 GLU CG C 13 36.564 0.3 . 1 . . . . B 822 GLU CG . 34693 1 1058 . 2 . 2 6 6 GLU N N 15 118.928 0.3 . 1 . . . . B 822 GLU N . 34693 1 1059 . 2 . 2 7 7 LYS H H 1 8.307 0.020 . 1 . . . . B 823 LYS H . 34693 1 1060 . 2 . 2 7 7 LYS HA H 1 3.976 0.020 . 1 . . . . B 823 LYS HA . 34693 1 1061 . 2 . 2 7 7 LYS HB2 H 1 1.787 0.020 . 2 . . . . B 823 LYS HB2 . 34693 1 1062 . 2 . 2 7 7 LYS HB3 H 1 1.897 0.020 . 2 . . . . B 823 LYS HB3 . 34693 1 1063 . 2 . 2 7 7 LYS HG2 H 1 1.438 0.020 . 2 . . . . B 823 LYS HG2 . 34693 1 1064 . 2 . 2 7 7 LYS HG3 H 1 1.566 0.020 . 2 . . . . B 823 LYS HG3 . 34693 1 1065 . 2 . 2 7 7 LYS HD2 H 1 1.650 0.020 . 1 . . . . B 823 LYS HD2 . 34693 1 1066 . 2 . 2 7 7 LYS HD3 H 1 1.650 0.020 . 1 . . . . B 823 LYS HD3 . 34693 1 1067 . 2 . 2 7 7 LYS C C 13 179.566 0.3 . 1 . . . . B 823 LYS C . 34693 1 1068 . 2 . 2 7 7 LYS CA C 13 59.834 0.3 . 1 . . . . B 823 LYS CA . 34693 1 1069 . 2 . 2 7 7 LYS CB C 13 32.147 0.3 . 1 . . . . B 823 LYS CB . 34693 1 1070 . 2 . 2 7 7 LYS CG C 13 25.604 0.3 . 1 . . . . B 823 LYS CG . 34693 1 1071 . 2 . 2 7 7 LYS CD C 13 29.195 0.3 . 1 . . . . B 823 LYS CD . 34693 1 1072 . 2 . 2 7 7 LYS N N 15 117.175 0.3 . 1 . . . . B 823 LYS N . 34693 1 1073 . 2 . 2 8 8 LYS H H 1 8.339 0.020 . 1 . . . . B 824 LYS H . 34693 1 1074 . 2 . 2 8 8 LYS HA H 1 3.846 0.020 . 1 . . . . B 824 LYS HA . 34693 1 1075 . 2 . 2 8 8 LYS HB2 H 1 1.569 0.020 . 2 . . . . B 824 LYS HB2 . 34693 1 1076 . 2 . 2 8 8 LYS HB3 H 1 1.793 0.020 . 2 . . . . B 824 LYS HB3 . 34693 1 1077 . 2 . 2 8 8 LYS HG2 H 1 1.290 0.020 . 2 . . . . B 824 LYS HG2 . 34693 1 1078 . 2 . 2 8 8 LYS HG3 H 1 1.454 0.020 . 2 . . . . B 824 LYS HG3 . 34693 1 1079 . 2 . 2 8 8 LYS C C 13 179.334 0.3 . 1 . . . . B 824 LYS C . 34693 1 1080 . 2 . 2 8 8 LYS CA C 13 59.374 0.3 . 1 . . . . B 824 LYS CA . 34693 1 1081 . 2 . 2 8 8 LYS CB C 13 32.592 0.3 . 1 . . . . B 824 LYS CB . 34693 1 1082 . 2 . 2 8 8 LYS CG C 13 25.888 0.3 . 1 . . . . B 824 LYS CG . 34693 1 1083 . 2 . 2 8 8 LYS N N 15 118.866 0.3 . 1 . . . . B 824 LYS N . 34693 1 1084 . 2 . 2 9 9 LEU H H 1 8.469 0.020 . 1 . . . . B 825 LEU H . 34693 1 1085 . 2 . 2 9 9 LEU HA H 1 3.935 0.020 . 1 . . . . B 825 LEU HA . 34693 1 1086 . 2 . 2 9 9 LEU HB2 H 1 1.583 0.020 . 2 . . . . B 825 LEU HB2 . 34693 1 1087 . 2 . 2 9 9 LEU HB3 H 1 1.786 0.020 . 2 . . . . B 825 LEU HB3 . 34693 1 1088 . 2 . 2 9 9 LEU HG H 1 1.344 0.020 . 1 . . . . B 825 LEU HG . 34693 1 1089 . 2 . 2 9 9 LEU HD11 H 1 0.770 0.020 . 2 . . . . B 825 LEU HD11 . 34693 1 1090 . 2 . 2 9 9 LEU HD12 H 1 0.770 0.020 . 2 . . . . B 825 LEU HD12 . 34693 1 1091 . 2 . 2 9 9 LEU HD13 H 1 0.770 0.020 . 2 . . . . B 825 LEU HD13 . 34693 1 1092 . 2 . 2 9 9 LEU HD21 H 1 0.801 0.020 . 2 . . . . B 825 LEU HD21 . 34693 1 1093 . 2 . 2 9 9 LEU HD22 H 1 0.801 0.020 . 2 . . . . B 825 LEU HD22 . 34693 1 1094 . 2 . 2 9 9 LEU HD23 H 1 0.801 0.020 . 2 . . . . B 825 LEU HD23 . 34693 1 1095 . 2 . 2 9 9 LEU C C 13 178.405 0.3 . 1 . . . . B 825 LEU C . 34693 1 1096 . 2 . 2 9 9 LEU CA C 13 58.338 0.3 . 1 . . . . B 825 LEU CA . 34693 1 1097 . 2 . 2 9 9 LEU CB C 13 41.168 0.3 . 1 . . . . B 825 LEU CB . 34693 1 1098 . 2 . 2 9 9 LEU CG C 13 27.155 0.3 . 1 . . . . B 825 LEU CG . 34693 1 1099 . 2 . 2 9 9 LEU CD1 C 13 23.700 0.3 . 1 . . . . B 825 LEU CD1 . 34693 1 1100 . 2 . 2 9 9 LEU CD2 C 13 25.872 0.3 . 1 . . . . B 825 LEU CD2 . 34693 1 1101 . 2 . 2 9 9 LEU N N 15 123.704 0.3 . 1 . . . . B 825 LEU N . 34693 1 1102 . 2 . 2 10 10 ILE H H 1 8.335 0.020 . 1 . . . . B 826 ILE H . 34693 1 1103 . 2 . 2 10 10 ILE HA H 1 3.678 0.020 . 1 . . . . B 826 ILE HA . 34693 1 1104 . 2 . 2 10 10 ILE HB H 1 1.977 0.020 . 1 . . . . B 826 ILE HB . 34693 1 1105 . 2 . 2 10 10 ILE HG12 H 1 1.068 0.020 . 2 . . . . B 826 ILE HG12 . 34693 1 1106 . 2 . 2 10 10 ILE HG13 H 1 2.038 0.020 . 2 . . . . B 826 ILE HG13 . 34693 1 1107 . 2 . 2 10 10 ILE HG21 H 1 0.933 0.020 . 1 . . . . B 826 ILE HG21 . 34693 1 1108 . 2 . 2 10 10 ILE HG22 H 1 0.933 0.020 . 1 . . . . B 826 ILE HG22 . 34693 1 1109 . 2 . 2 10 10 ILE HG23 H 1 0.933 0.020 . 1 . . . . B 826 ILE HG23 . 34693 1 1110 . 2 . 2 10 10 ILE HD11 H 1 0.930 0.020 . 1 . . . . B 826 ILE HD11 . 34693 1 1111 . 2 . 2 10 10 ILE HD12 H 1 0.930 0.020 . 1 . . . . B 826 ILE HD12 . 34693 1 1112 . 2 . 2 10 10 ILE HD13 H 1 0.930 0.020 . 1 . . . . B 826 ILE HD13 . 34693 1 1113 . 2 . 2 10 10 ILE C C 13 178.289 0.3 . 1 . . . . B 826 ILE C . 34693 1 1114 . 2 . 2 10 10 ILE CA C 13 66.060 0.3 . 1 . . . . B 826 ILE CA . 34693 1 1115 . 2 . 2 10 10 ILE CB C 13 38.368 0.3 . 1 . . . . B 826 ILE CB . 34693 1 1116 . 2 . 2 10 10 ILE CG1 C 13 29.872 0.3 . 1 . . . . B 826 ILE CG1 . 34693 1 1117 . 2 . 2 10 10 ILE CG2 C 13 17.203 0.3 . 1 . . . . B 826 ILE CG2 . 34693 1 1118 . 2 . 2 10 10 ILE CD1 C 13 14.130 0.3 . 1 . . . . B 826 ILE CD1 . 34693 1 1119 . 2 . 2 10 10 ILE N N 15 118.722 0.3 . 1 . . . . B 826 ILE N . 34693 1 1120 . 2 . 2 11 11 LYS H H 1 7.971 0.020 . 1 . . . . B 827 LYS H . 34693 1 1121 . 2 . 2 11 11 LYS HA H 1 4.178 0.020 . 1 . . . . B 827 LYS HA . 34693 1 1122 . 2 . 2 11 11 LYS HB2 H 1 1.793 0.020 . 2 . . . . B 827 LYS HB2 . 34693 1 1123 . 2 . 2 11 11 LYS HB3 H 1 1.874 0.020 . 2 . . . . B 827 LYS HB3 . 34693 1 1124 . 2 . 2 11 11 LYS HG2 H 1 1.576 0.020 . 2 . . . . B 827 LYS HG2 . 34693 1 1125 . 2 . 2 11 11 LYS HG3 H 1 1.633 0.020 . 2 . . . . B 827 LYS HG3 . 34693 1 1126 . 2 . 2 11 11 LYS HD2 H 1 1.639 0.020 . 2 . . . . B 827 LYS HD2 . 34693 1 1127 . 2 . 2 11 11 LYS HD3 H 1 1.738 0.020 . 2 . . . . B 827 LYS HD3 . 34693 1 1128 . 2 . 2 11 11 LYS HE2 H 1 2.902 0.020 . 2 . . . . B 827 LYS HE2 . 34693 1 1129 . 2 . 2 11 11 LYS HE3 H 1 2.966 0.020 . 2 . . . . B 827 LYS HE3 . 34693 1 1130 . 2 . 2 11 11 LYS C C 13 180.413 0.3 . 1 . . . . B 827 LYS C . 34693 1 1131 . 2 . 2 11 11 LYS CA C 13 57.833 0.3 . 1 . . . . B 827 LYS CA . 34693 1 1132 . 2 . 2 11 11 LYS CB C 13 31.994 0.3 . 1 . . . . B 827 LYS CB . 34693 1 1133 . 2 . 2 11 11 LYS CG C 13 24.886 0.3 . 1 . . . . B 827 LYS CG . 34693 1 1134 . 2 . 2 11 11 LYS CD C 13 28.208 0.3 . 1 . . . . B 827 LYS CD . 34693 1 1135 . 2 . 2 11 11 LYS CE C 13 42.183 0.3 . 1 . . . . B 827 LYS CE . 34693 1 1136 . 2 . 2 11 11 LYS N N 15 115.116 0.3 . 1 . . . . B 827 LYS N . 34693 1 1137 . 2 . 2 12 12 SER H H 1 8.336 0.020 . 1 . . . . B 828 SER H . 34693 1 1138 . 2 . 2 12 12 SER HA H 1 4.121 0.020 . 1 . . . . B 828 SER HA . 34693 1 1139 . 2 . 2 12 12 SER HB2 H 1 3.565 0.020 . 2 . . . . B 828 SER HB2 . 34693 1 1140 . 2 . 2 12 12 SER HB3 H 1 4.011 0.020 . 2 . . . . B 828 SER HB3 . 34693 1 1141 . 2 . 2 12 12 SER C C 13 175.451 0.3 . 1 . . . . B 828 SER C . 34693 1 1142 . 2 . 2 12 12 SER CA C 13 63.683 0.3 . 1 . . . . B 828 SER CA . 34693 1 1143 . 2 . 2 12 12 SER CB C 13 63.175 0.3 . 1 . . . . B 828 SER CB . 34693 1 1144 . 2 . 2 12 12 SER N N 15 118.274 0.3 . 1 . . . . B 828 SER N . 34693 1 1145 . 2 . 2 13 13 ILE H H 1 8.169 0.020 . 1 . . . . B 829 ILE H . 34693 1 1146 . 2 . 2 13 13 ILE HA H 1 3.116 0.020 . 1 . . . . B 829 ILE HA . 34693 1 1147 . 2 . 2 13 13 ILE HB H 1 1.271 0.020 . 1 . . . . B 829 ILE HB . 34693 1 1148 . 2 . 2 13 13 ILE HG12 H 1 -0.390 0.020 . 2 . . . . B 829 ILE HG12 . 34693 1 1149 . 2 . 2 13 13 ILE HG13 H 1 1.226 0.020 . 2 . . . . B 829 ILE HG13 . 34693 1 1150 . 2 . 2 13 13 ILE HG21 H 1 -0.210 0.020 . 1 . . . . B 829 ILE HG21 . 34693 1 1151 . 2 . 2 13 13 ILE HG22 H 1 -0.210 0.020 . 1 . . . . B 829 ILE HG22 . 34693 1 1152 . 2 . 2 13 13 ILE HG23 H 1 -0.210 0.020 . 1 . . . . B 829 ILE HG23 . 34693 1 1153 . 2 . 2 13 13 ILE HD11 H 1 -0.485 0.020 . 1 . . . . B 829 ILE HD11 . 34693 1 1154 . 2 . 2 13 13 ILE HD12 H 1 -0.485 0.020 . 1 . . . . B 829 ILE HD12 . 34693 1 1155 . 2 . 2 13 13 ILE HD13 H 1 -0.485 0.020 . 1 . . . . B 829 ILE HD13 . 34693 1 1156 . 2 . 2 13 13 ILE C C 13 179.550 0.3 . 1 . . . . B 829 ILE C . 34693 1 1157 . 2 . 2 13 13 ILE CA C 13 66.348 0.3 . 1 . . . . B 829 ILE CA . 34693 1 1158 . 2 . 2 13 13 ILE CB C 13 36.323 0.3 . 1 . . . . B 829 ILE CB . 34693 1 1159 . 2 . 2 13 13 ILE CG1 C 13 28.393 0.3 . 1 . . . . B 829 ILE CG1 . 34693 1 1160 . 2 . 2 13 13 ILE CG2 C 13 17.173 0.3 . 1 . . . . B 829 ILE CG2 . 34693 1 1161 . 2 . 2 13 13 ILE CD1 C 13 11.760 0.3 . 1 . . . . B 829 ILE CD1 . 34693 1 1162 . 2 . 2 13 13 ILE N N 15 122.892 0.3 . 1 . . . . B 829 ILE N . 34693 1 1163 . 2 . 2 14 14 GLU H H 1 8.415 0.020 . 1 . . . . B 830 GLU H . 34693 1 1164 . 2 . 2 14 14 GLU HA H 1 3.885 0.020 . 1 . . . . B 830 GLU HA . 34693 1 1165 . 2 . 2 14 14 GLU HB2 H 1 1.989 0.020 . 2 . . . . B 830 GLU HB2 . 34693 1 1166 . 2 . 2 14 14 GLU HB3 H 1 2.227 0.020 . 2 . . . . B 830 GLU HB3 . 34693 1 1167 . 2 . 2 14 14 GLU HG2 H 1 2.186 0.020 . 2 . . . . B 830 GLU HG2 . 34693 1 1168 . 2 . 2 14 14 GLU HG3 H 1 2.666 0.020 . 2 . . . . B 830 GLU HG3 . 34693 1 1169 . 2 . 2 14 14 GLU C C 13 177.990 0.3 . 1 . . . . B 830 GLU C . 34693 1 1170 . 2 . 2 14 14 GLU CA C 13 60.393 0.3 . 1 . . . . B 830 GLU CA . 34693 1 1171 . 2 . 2 14 14 GLU CB C 13 29.702 0.3 . 1 . . . . B 830 GLU CB . 34693 1 1172 . 2 . 2 14 14 GLU CG C 13 37.200 0.3 . 1 . . . . B 830 GLU CG . 34693 1 1173 . 2 . 2 14 14 GLU N N 15 120.905 0.3 . 1 . . . . B 830 GLU N . 34693 1 1174 . 2 . 2 15 15 TYR H H 1 8.112 0.020 . 1 . . . . B 831 TYR H . 34693 1 1175 . 2 . 2 15 15 TYR HA H 1 4.160 0.020 . 1 . . . . B 831 TYR HA . 34693 1 1176 . 2 . 2 15 15 TYR HB2 H 1 2.987 0.020 . 2 . . . . B 831 TYR HB2 . 34693 1 1177 . 2 . 2 15 15 TYR HB3 H 1 3.310 0.020 . 2 . . . . B 831 TYR HB3 . 34693 1 1178 . 2 . 2 15 15 TYR HD1 H 1 7.119 0.020 . 1 . . . . B 831 TYR HD1 . 34693 1 1179 . 2 . 2 15 15 TYR HD2 H 1 7.119 0.020 . 1 . . . . B 831 TYR HD2 . 34693 1 1180 . 2 . 2 15 15 TYR HE1 H 1 6.959 0.020 . 1 . . . . B 831 TYR HE1 . 34693 1 1181 . 2 . 2 15 15 TYR HE2 H 1 6.959 0.020 . 1 . . . . B 831 TYR HE2 . 34693 1 1182 . 2 . 2 15 15 TYR C C 13 178.139 0.3 . 1 . . . . B 831 TYR C . 34693 1 1183 . 2 . 2 15 15 TYR CA C 13 61.802 0.3 . 1 . . . . B 831 TYR CA . 34693 1 1184 . 2 . 2 15 15 TYR CB C 13 38.886 0.3 . 1 . . . . B 831 TYR CB . 34693 1 1185 . 2 . 2 15 15 TYR CD1 C 13 131.542 0.3 . 1 . . . . B 831 TYR CD1 . 34693 1 1186 . 2 . 2 15 15 TYR CD2 C 13 131.542 0.3 . 1 . . . . B 831 TYR CD2 . 34693 1 1187 . 2 . 2 15 15 TYR CE1 C 13 119.193 0.3 . 1 . . . . B 831 TYR CE1 . 34693 1 1188 . 2 . 2 15 15 TYR CE2 C 13 119.193 0.3 . 1 . . . . B 831 TYR CE2 . 34693 1 1189 . 2 . 2 15 15 TYR N N 15 120.280 0.3 . 1 . . . . B 831 TYR N . 34693 1 1190 . 2 . 2 16 16 ILE H H 1 8.322 0.020 . 1 . . . . B 832 ILE H . 34693 1 1191 . 2 . 2 16 16 ILE HA H 1 2.726 0.020 . 1 . . . . B 832 ILE HA . 34693 1 1192 . 2 . 2 16 16 ILE HB H 1 1.752 0.020 . 1 . . . . B 832 ILE HB . 34693 1 1193 . 2 . 2 16 16 ILE HG12 H 1 1.155 0.020 . 2 . . . . B 832 ILE HG12 . 34693 1 1194 . 2 . 2 16 16 ILE HG13 H 1 2.181 0.020 . 2 . . . . B 832 ILE HG13 . 34693 1 1195 . 2 . 2 16 16 ILE HG21 H 1 0.667 0.020 . 1 . . . . B 832 ILE HG21 . 34693 1 1196 . 2 . 2 16 16 ILE HG22 H 1 0.667 0.020 . 1 . . . . B 832 ILE HG22 . 34693 1 1197 . 2 . 2 16 16 ILE HG23 H 1 0.667 0.020 . 1 . . . . B 832 ILE HG23 . 34693 1 1198 . 2 . 2 16 16 ILE HD11 H 1 1.015 0.020 . 1 . . . . B 832 ILE HD11 . 34693 1 1199 . 2 . 2 16 16 ILE HD12 H 1 1.015 0.020 . 1 . . . . B 832 ILE HD12 . 34693 1 1200 . 2 . 2 16 16 ILE HD13 H 1 1.015 0.020 . 1 . . . . B 832 ILE HD13 . 34693 1 1201 . 2 . 2 16 16 ILE C C 13 177.243 0.3 . 1 . . . . B 832 ILE C . 34693 1 1202 . 2 . 2 16 16 ILE CA C 13 65.243 0.3 . 1 . . . . B 832 ILE CA . 34693 1 1203 . 2 . 2 16 16 ILE CB C 13 39.029 0.3 . 1 . . . . B 832 ILE CB . 34693 1 1204 . 2 . 2 16 16 ILE CG1 C 13 29.517 0.3 . 1 . . . . B 832 ILE CG1 . 34693 1 1205 . 2 . 2 16 16 ILE CG2 C 13 19.395 0.3 . 1 . . . . B 832 ILE CG2 . 34693 1 1206 . 2 . 2 16 16 ILE CD1 C 13 15.314 0.3 . 1 . . . . B 832 ILE CD1 . 34693 1 1207 . 2 . 2 16 16 ILE N N 15 120.137 0.3 . 1 . . . . B 832 ILE N . 34693 1 1208 . 2 . 2 17 17 THR H H 1 7.997 0.020 . 1 . . . . B 833 THR H . 34693 1 1209 . 2 . 2 17 17 THR HA H 1 2.673 0.020 . 1 . . . . B 833 THR HA . 34693 1 1210 . 2 . 2 17 17 THR HB H 1 3.945 0.020 . 1 . . . . B 833 THR HB . 34693 1 1211 . 2 . 2 17 17 THR HG21 H 1 1.085 0.020 . 1 . . . . B 833 THR HG21 . 34693 1 1212 . 2 . 2 17 17 THR HG22 H 1 1.085 0.020 . 1 . . . . B 833 THR HG22 . 34693 1 1213 . 2 . 2 17 17 THR HG23 H 1 1.085 0.020 . 1 . . . . B 833 THR HG23 . 34693 1 1214 . 2 . 2 17 17 THR C C 13 178.621 0.3 . 1 . . . . B 833 THR C . 34693 1 1215 . 2 . 2 17 17 THR CA C 13 66.531 0.3 . 1 . . . . B 833 THR CA . 34693 1 1216 . 2 . 2 17 17 THR CB C 13 68.171 0.3 . 1 . . . . B 833 THR CB . 34693 1 1217 . 2 . 2 17 17 THR CG2 C 13 21.460 0.3 . 1 . . . . B 833 THR CG2 . 34693 1 1218 . 2 . 2 17 17 THR N N 15 115.351 0.3 . 1 . . . . B 833 THR N . 34693 1 1219 . 2 . 2 18 18 LYS H H 1 8.489 0.020 . 1 . . . . B 834 LYS H . 34693 1 1220 . 2 . 2 18 18 LYS HA H 1 3.951 0.020 . 1 . . . . B 834 LYS HA . 34693 1 1221 . 2 . 2 18 18 LYS HB2 H 1 1.716 0.020 . 2 . . . . B 834 LYS HB2 . 34693 1 1222 . 2 . 2 18 18 LYS HB3 H 1 1.868 0.020 . 2 . . . . B 834 LYS HB3 . 34693 1 1223 . 2 . 2 18 18 LYS HG2 H 1 1.395 0.020 . 1 . . . . B 834 LYS HG2 . 34693 1 1224 . 2 . 2 18 18 LYS HG3 H 1 1.395 0.020 . 1 . . . . B 834 LYS HG3 . 34693 1 1225 . 2 . 2 18 18 LYS HD2 H 1 1.618 0.020 . 1 . . . . B 834 LYS HD2 . 34693 1 1226 . 2 . 2 18 18 LYS HD3 H 1 1.618 0.020 . 1 . . . . B 834 LYS HD3 . 34693 1 1227 . 2 . 2 18 18 LYS HE2 H 1 2.902 0.020 . 1 . . . . B 834 LYS HE2 . 34693 1 1228 . 2 . 2 18 18 LYS HE3 H 1 2.902 0.020 . 1 . . . . B 834 LYS HE3 . 34693 1 1229 . 2 . 2 18 18 LYS C C 13 177.442 0.3 . 1 . . . . B 834 LYS C . 34693 1 1230 . 2 . 2 18 18 LYS CA C 13 58.688 0.3 . 1 . . . . B 834 LYS CA . 34693 1 1231 . 2 . 2 18 18 LYS CB C 13 31.564 0.3 . 1 . . . . B 834 LYS CB . 34693 1 1232 . 2 . 2 18 18 LYS CG C 13 25.125 0.3 . 1 . . . . B 834 LYS CG . 34693 1 1233 . 2 . 2 18 18 LYS CD C 13 29.286 0.3 . 1 . . . . B 834 LYS CD . 34693 1 1234 . 2 . 2 18 18 LYS CE C 13 42.019 0.3 . 1 . . . . B 834 LYS CE . 34693 1 1235 . 2 . 2 18 18 LYS N N 15 124.191 0.3 . 1 . . . . B 834 LYS N . 34693 1 1236 . 2 . 2 19 19 ASN H H 1 6.732 0.020 . 1 . . . . B 835 ASN H . 34693 1 1237 . 2 . 2 19 19 ASN HA H 1 4.518 0.020 . 1 . . . . B 835 ASN HA . 34693 1 1238 . 2 . 2 19 19 ASN HB2 H 1 1.787 0.020 . 2 . . . . B 835 ASN HB2 . 34693 1 1239 . 2 . 2 19 19 ASN HB3 H 1 2.615 0.020 . 2 . . . . B 835 ASN HB3 . 34693 1 1240 . 2 . 2 19 19 ASN HD21 H 1 6.961 0.020 . 1 . . . . B 835 ASN HD21 . 34693 1 1241 . 2 . 2 19 19 ASN HD22 H 1 6.698 0.020 . 1 . . . . B 835 ASN HD22 . 34693 1 1242 . 2 . 2 19 19 ASN C C 13 173.908 0.3 . 1 . . . . B 835 ASN C . 34693 1 1243 . 2 . 2 19 19 ASN CA C 13 53.792 0.3 . 1 . . . . B 835 ASN CA . 34693 1 1244 . 2 . 2 19 19 ASN CB C 13 38.436 0.3 . 1 . . . . B 835 ASN CB . 34693 1 1245 . 2 . 2 19 19 ASN CG C 13 177.638 0.3 . 1 . . . . B 835 ASN CG . 34693 1 1246 . 2 . 2 19 19 ASN N N 15 114.707 0.3 . 1 . . . . B 835 ASN N . 34693 1 1247 . 2 . 2 19 19 ASN ND2 N 15 117.469 0.3 . 1 . . . . B 835 ASN ND2 . 34693 1 1248 . 2 . 2 20 20 LYS H H 1 7.787 0.020 . 1 . . . . B 836 LYS H . 34693 1 1249 . 2 . 2 20 20 LYS HA H 1 3.429 0.020 . 1 . . . . B 836 LYS HA . 34693 1 1250 . 2 . 2 20 20 LYS HB2 H 1 1.798 0.020 . 2 . . . . B 836 LYS HB2 . 34693 1 1251 . 2 . 2 20 20 LYS HB3 H 1 2.075 0.020 . 2 . . . . B 836 LYS HB3 . 34693 1 1252 . 2 . 2 20 20 LYS HG2 H 1 1.271 0.020 . 2 . . . . B 836 LYS HG2 . 34693 1 1253 . 2 . 2 20 20 LYS HG3 H 1 1.342 0.020 . 2 . . . . B 836 LYS HG3 . 34693 1 1254 . 2 . 2 20 20 LYS HD2 H 1 1.659 0.020 . 1 . . . . B 836 LYS HD2 . 34693 1 1255 . 2 . 2 20 20 LYS HD3 H 1 1.659 0.020 . 1 . . . . B 836 LYS HD3 . 34693 1 1256 . 2 . 2 20 20 LYS HE2 H 1 2.963 0.020 . 1 . . . . B 836 LYS HE2 . 34693 1 1257 . 2 . 2 20 20 LYS HE3 H 1 2.963 0.020 . 1 . . . . B 836 LYS HE3 . 34693 1 1258 . 2 . 2 20 20 LYS C C 13 175.368 0.3 . 1 . . . . B 836 LYS C . 34693 1 1259 . 2 . 2 20 20 LYS CA C 13 57.452 0.3 . 1 . . . . B 836 LYS CA . 34693 1 1260 . 2 . 2 20 20 LYS CB C 13 28.931 0.3 . 1 . . . . B 836 LYS CB . 34693 1 1261 . 2 . 2 20 20 LYS CG C 13 25.220 0.3 . 1 . . . . B 836 LYS CG . 34693 1 1262 . 2 . 2 20 20 LYS CD C 13 29.410 0.3 . 1 . . . . B 836 LYS CD . 34693 1 1263 . 2 . 2 20 20 LYS CE C 13 42.011 0.3 . 1 . . . . B 836 LYS CE . 34693 1 1264 . 2 . 2 20 20 LYS N N 15 118.527 0.3 . 1 . . . . B 836 LYS N . 34693 1 1265 . 2 . 2 21 21 PHE H H 1 7.482 0.020 . 1 . . . . B 837 PHE H . 34693 1 1266 . 2 . 2 21 21 PHE HA H 1 2.867 0.020 . 1 . . . . B 837 PHE HA . 34693 1 1267 . 2 . 2 21 21 PHE HB2 H 1 3.001 0.020 . 2 . . . . B 837 PHE HB2 . 34693 1 1268 . 2 . 2 21 21 PHE HB3 H 1 3.165 0.020 . 2 . . . . B 837 PHE HB3 . 34693 1 1269 . 2 . 2 21 21 PHE HD1 H 1 6.897 0.020 . 1 . . . . B 837 PHE HD1 . 34693 1 1270 . 2 . 2 21 21 PHE HD2 H 1 6.897 0.020 . 1 . . . . B 837 PHE HD2 . 34693 1 1271 . 2 . 2 21 21 PHE C C 13 173.062 0.3 . 1 . . . . B 837 PHE C . 34693 1 1272 . 2 . 2 21 21 PHE CA C 13 59.206 0.3 . 1 . . . . B 837 PHE CA . 34693 1 1273 . 2 . 2 21 21 PHE CB C 13 34.973 0.3 . 1 . . . . B 837 PHE CB . 34693 1 1274 . 2 . 2 21 21 PHE CD1 C 13 131.841 0.3 . 1 . . . . B 837 PHE CD1 . 34693 1 1275 . 2 . 2 21 21 PHE CD2 C 13 131.841 0.3 . 1 . . . . B 837 PHE CD2 . 34693 1 1276 . 2 . 2 21 21 PHE N N 15 108.458 0.3 . 1 . . . . B 837 PHE N . 34693 1 1277 . 2 . 2 22 22 PHE H H 1 7.518 0.020 . 1 . . . . B 838 PHE H . 34693 1 1278 . 2 . 2 22 22 PHE HA H 1 4.371 0.020 . 1 . . . . B 838 PHE HA . 34693 1 1279 . 2 . 2 22 22 PHE HB2 H 1 3.316 0.020 . 2 . . . . B 838 PHE HB2 . 34693 1 1280 . 2 . 2 22 22 PHE HB3 H 1 3.452 0.020 . 2 . . . . B 838 PHE HB3 . 34693 1 1281 . 2 . 2 22 22 PHE HD1 H 1 7.128 0.020 . 1 . . . . B 838 PHE HD1 . 34693 1 1282 . 2 . 2 22 22 PHE HD2 H 1 7.128 0.020 . 1 . . . . B 838 PHE HD2 . 34693 1 1283 . 2 . 2 22 22 PHE C C 13 176.132 0.3 . 1 . . . . B 838 PHE C . 34693 1 1284 . 2 . 2 22 22 PHE CA C 13 57.728 0.3 . 1 . . . . B 838 PHE CA . 34693 1 1285 . 2 . 2 22 22 PHE CB C 13 35.785 0.3 . 1 . . . . B 838 PHE CB . 34693 1 1286 . 2 . 2 22 22 PHE N N 15 108.759 0.3 . 1 . . . . B 838 PHE N . 34693 1 1287 . 2 . 2 23 23 ASP H H 1 7.715 0.020 . 1 . . . . B 839 ASP H . 34693 1 1288 . 2 . 2 23 23 ASP HA H 1 4.574 0.020 . 1 . . . . B 839 ASP HA . 34693 1 1289 . 2 . 2 23 23 ASP HB2 H 1 2.731 0.020 . 2 . . . . B 839 ASP HB2 . 34693 1 1290 . 2 . 2 23 23 ASP HB3 H 1 2.829 0.020 . 2 . . . . B 839 ASP HB3 . 34693 1 1291 . 2 . 2 23 23 ASP C C 13 176.812 0.3 . 1 . . . . B 839 ASP C . 34693 1 1292 . 2 . 2 23 23 ASP CA C 13 55.430 0.3 . 1 . . . . B 839 ASP CA . 34693 1 1293 . 2 . 2 23 23 ASP CB C 13 41.133 0.3 . 1 . . . . B 839 ASP CB . 34693 1 1294 . 2 . 2 23 23 ASP N N 15 119.984 0.3 . 1 . . . . B 839 ASP N . 34693 1 1295 . 2 . 2 24 24 ASP H H 1 8.583 0.020 . 1 . . . . B 840 ASP H . 34693 1 1296 . 2 . 2 24 24 ASP HA H 1 4.689 0.020 . 1 . . . . B 840 ASP HA . 34693 1 1297 . 2 . 2 24 24 ASP HB2 H 1 2.636 0.020 . 2 . . . . B 840 ASP HB2 . 34693 1 1298 . 2 . 2 24 24 ASP HB3 H 1 2.747 0.020 . 2 . . . . B 840 ASP HB3 . 34693 1 1299 . 2 . 2 24 24 ASP C C 13 175.385 0.3 . 1 . . . . B 840 ASP C . 34693 1 1300 . 2 . 2 24 24 ASP CA C 13 54.189 0.3 . 1 . . . . B 840 ASP CA . 34693 1 1301 . 2 . 2 24 24 ASP CB C 13 41.062 0.3 . 1 . . . . B 840 ASP CB . 34693 1 1302 . 2 . 2 24 24 ASP N N 15 120.450 0.3 . 1 . . . . B 840 ASP N . 34693 1 1303 . 2 . 2 25 25 SER H H 1 7.858 0.020 . 1 . . . . B 841 SER H . 34693 1 1304 . 2 . 2 25 25 SER HA H 1 4.238 0.020 . 1 . . . . B 841 SER HA . 34693 1 1305 . 2 . 2 25 25 SER HB2 H 1 3.857 0.020 . 1 . . . . B 841 SER HB2 . 34693 1 1306 . 2 . 2 25 25 SER HB3 H 1 3.857 0.020 . 1 . . . . B 841 SER HB3 . 34693 1 1307 . 2 . 2 25 25 SER C C 13 178.604 0.3 . 1 . . . . B 841 SER C . 34693 1 1308 . 2 . 2 25 25 SER CA C 13 60.126 0.3 . 1 . . . . B 841 SER CA . 34693 1 1309 . 2 . 2 25 25 SER CB C 13 64.835 0.3 . 1 . . . . B 841 SER CB . 34693 1 1310 . 2 . 2 25 25 SER N N 15 120.982 0.3 . 1 . . . . B 841 SER N . 34693 1 stop_ save_