data_36335 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36335 _Entry.Title ; Solution NMR structure of fold-0 Chantal; de novo designed protein with an asymmetric all-alpha topology ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-25 _Entry.Accession_date 2020-05-07 _Entry.Last_release_date 2020-05-07 _Entry.Original_release_date 2020-05-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 36335 stop_ 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 N. Kobayashi N. . . . 36335 2 T. Sugiki T. . . . 36335 3 T. Fujiwara T. . . . 36335 4 K. Sakuma K. . . . 36335 5 T. Kosugi T. . . . 36335 6 R. Koga R. . . . 36335 7 N. Koga N. . . . 36335 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 36335 'de novo designed protein' . 36335 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36335 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 411 36335 '15N chemical shifts' 102 36335 '1H chemical shifts' 638 36335 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 . . 2024-03-12 2020-03-25 update BMRB 'update entry citation' 36335 1 . . 2022-01-28 2020-03-25 original author 'original release' 36335 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 36336 'Solution NMR structure of fold-C Rei; de novo designed protein with an asymmetric all-alpha topology' 36335 BMRB 36337 'Solution NMR structure of fold-Z Gogy; de novo designed protein with an asymmetric all-alpha topology' 36335 BMRB 36338 'Solution NMR structure of fold-K Mussoc; de novo designed protein with an asymmetric all-alpha topology' 36335 BMRB 36339 'Solution NMR structure of fold-U Nomur; de novo designed protein with an asymmetric all-alpha topology' 36335 PDB 7BQM . 36335 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36335 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38177681 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Design of complicated all-alpha protein structures ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 31 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1545-9985 _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 275 _Citation.Page_last 282 _Citation.Year 2024 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Koya Sakuma K. . . . 36335 1 2 Naohiro Kobayashi N. . . . 36335 1 3 Toshihiko Sugiki T. . . . 36335 1 4 Toshio Nagashima T. . . . 36335 1 5 Toshimichi Fujiwara T. . . . 36335 1 6 Kano Suzuki K. . . . 36335 1 7 Naoya Kobayashi N. . . . 36335 1 8 Takeshi Murata T. . . . 36335 1 9 Takahiro Kosugi T. . . . 36335 1 10 Rie Tatsumi-Koga R. . . . 36335 1 11 Nobuyasu Koga N. . . . 36335 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36335 _Assembly.ID 1 _Assembly.Name Chantal _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 entity_1 1 $entity_1 A A yes . . . . . . 36335 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36335 _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 ; GEEEKEIDKLVELFAQAYED AREKKRNGTPEEWVRDAIEE AARRVGRSRSRVVEALRRYA EKHGKEELLKRAGITPEALK VIEKIEKEEGSLEHHHHHH ; _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 99 _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 11628.025 _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 1 GLY . 36335 1 2 2 GLU . 36335 1 3 3 GLU . 36335 1 4 4 GLU . 36335 1 5 5 LYS . 36335 1 6 6 GLU . 36335 1 7 7 ILE . 36335 1 8 8 ASP . 36335 1 9 9 LYS . 36335 1 10 10 LEU . 36335 1 11 11 VAL . 36335 1 12 12 GLU . 36335 1 13 13 LEU . 36335 1 14 14 PHE . 36335 1 15 15 ALA . 36335 1 16 16 GLN . 36335 1 17 17 ALA . 36335 1 18 18 TYR . 36335 1 19 19 GLU . 36335 1 20 20 ASP . 36335 1 21 21 ALA . 36335 1 22 22 ARG . 36335 1 23 23 GLU . 36335 1 24 24 LYS . 36335 1 25 25 LYS . 36335 1 26 26 ARG . 36335 1 27 27 ASN . 36335 1 28 28 GLY . 36335 1 29 29 THR . 36335 1 30 30 PRO . 36335 1 31 31 GLU . 36335 1 32 32 GLU . 36335 1 33 33 TRP . 36335 1 34 34 VAL . 36335 1 35 35 ARG . 36335 1 36 36 ASP . 36335 1 37 37 ALA . 36335 1 38 38 ILE . 36335 1 39 39 GLU . 36335 1 40 40 GLU . 36335 1 41 41 ALA . 36335 1 42 42 ALA . 36335 1 43 43 ARG . 36335 1 44 44 ARG . 36335 1 45 45 VAL . 36335 1 46 46 GLY . 36335 1 47 47 ARG . 36335 1 48 48 SER . 36335 1 49 49 ARG . 36335 1 50 50 SER . 36335 1 51 51 ARG . 36335 1 52 52 VAL . 36335 1 53 53 VAL . 36335 1 54 54 GLU . 36335 1 55 55 ALA . 36335 1 56 56 LEU . 36335 1 57 57 ARG . 36335 1 58 58 ARG . 36335 1 59 59 TYR . 36335 1 60 60 ALA . 36335 1 61 61 GLU . 36335 1 62 62 LYS . 36335 1 63 63 HIS . 36335 1 64 64 GLY . 36335 1 65 65 LYS . 36335 1 66 66 GLU . 36335 1 67 67 GLU . 36335 1 68 68 LEU . 36335 1 69 69 LEU . 36335 1 70 70 LYS . 36335 1 71 71 ARG . 36335 1 72 72 ALA . 36335 1 73 73 GLY . 36335 1 74 74 ILE . 36335 1 75 75 THR . 36335 1 76 76 PRO . 36335 1 77 77 GLU . 36335 1 78 78 ALA . 36335 1 79 79 LEU . 36335 1 80 80 LYS . 36335 1 81 81 VAL . 36335 1 82 82 ILE . 36335 1 83 83 GLU . 36335 1 84 84 LYS . 36335 1 85 85 ILE . 36335 1 86 86 GLU . 36335 1 87 87 LYS . 36335 1 88 88 GLU . 36335 1 89 89 GLU . 36335 1 90 90 GLY . 36335 1 91 91 SER . 36335 1 92 92 LEU . 36335 1 93 93 GLU . 36335 1 94 94 HIS . 36335 1 95 95 HIS . 36335 1 96 96 HIS . 36335 1 97 97 HIS . 36335 1 98 98 HIS . 36335 1 99 99 HIS . 36335 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 36335 1 . GLU 2 2 36335 1 . GLU 3 3 36335 1 . GLU 4 4 36335 1 . LYS 5 5 36335 1 . GLU 6 6 36335 1 . ILE 7 7 36335 1 . ASP 8 8 36335 1 . LYS 9 9 36335 1 . LEU 10 10 36335 1 . VAL 11 11 36335 1 . GLU 12 12 36335 1 . LEU 13 13 36335 1 . PHE 14 14 36335 1 . ALA 15 15 36335 1 . GLN 16 16 36335 1 . ALA 17 17 36335 1 . TYR 18 18 36335 1 . GLU 19 19 36335 1 . ASP 20 20 36335 1 . ALA 21 21 36335 1 . ARG 22 22 36335 1 . GLU 23 23 36335 1 . LYS 24 24 36335 1 . LYS 25 25 36335 1 . ARG 26 26 36335 1 . ASN 27 27 36335 1 . GLY 28 28 36335 1 . THR 29 29 36335 1 . PRO 30 30 36335 1 . GLU 31 31 36335 1 . GLU 32 32 36335 1 . TRP 33 33 36335 1 . VAL 34 34 36335 1 . ARG 35 35 36335 1 . ASP 36 36 36335 1 . ALA 37 37 36335 1 . ILE 38 38 36335 1 . GLU 39 39 36335 1 . GLU 40 40 36335 1 . ALA 41 41 36335 1 . ALA 42 42 36335 1 . ARG 43 43 36335 1 . ARG 44 44 36335 1 . VAL 45 45 36335 1 . GLY 46 46 36335 1 . ARG 47 47 36335 1 . SER 48 48 36335 1 . ARG 49 49 36335 1 . SER 50 50 36335 1 . ARG 51 51 36335 1 . VAL 52 52 36335 1 . VAL 53 53 36335 1 . GLU 54 54 36335 1 . ALA 55 55 36335 1 . LEU 56 56 36335 1 . ARG 57 57 36335 1 . ARG 58 58 36335 1 . TYR 59 59 36335 1 . ALA 60 60 36335 1 . GLU 61 61 36335 1 . LYS 62 62 36335 1 . HIS 63 63 36335 1 . GLY 64 64 36335 1 . LYS 65 65 36335 1 . GLU 66 66 36335 1 . GLU 67 67 36335 1 . LEU 68 68 36335 1 . LEU 69 69 36335 1 . LYS 70 70 36335 1 . ARG 71 71 36335 1 . ALA 72 72 36335 1 . GLY 73 73 36335 1 . ILE 74 74 36335 1 . THR 75 75 36335 1 . PRO 76 76 36335 1 . GLU 77 77 36335 1 . ALA 78 78 36335 1 . LEU 79 79 36335 1 . LYS 80 80 36335 1 . VAL 81 81 36335 1 . ILE 82 82 36335 1 . GLU 83 83 36335 1 . LYS 84 84 36335 1 . ILE 85 85 36335 1 . GLU 86 86 36335 1 . LYS 87 87 36335 1 . GLU 88 88 36335 1 . GLU 89 89 36335 1 . GLY 90 90 36335 1 . SER 91 91 36335 1 . LEU 92 92 36335 1 . GLU 93 93 36335 1 . HIS 94 94 36335 1 . HIS 95 95 36335 1 . HIS 96 96 36335 1 . HIS 97 97 36335 1 . HIS 98 98 36335 1 . HIS 99 99 36335 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 36335 _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 . 32630 . . 'synthetic construct' . . . . . synthetic construct . . . . . . . . . . . . . 36335 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 36335 _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' . . 562 Escherichia coli . . . . . . . . . . 36335 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36335 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-100% 13C; U-100% 15N] Chantal, 1.1 mM potassium phosphate, 5.6 mM sodium phosphate, 100 mM sodium chloride, 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 Chantal '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.5 . . mM . . . . 36335 1 2 'potassium phosphate' 'natural abundance' . . . . . . 1.1 . . mM . . . . 36335 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 36335 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 5.6 . . mM . . . . 36335 1 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36335 1 6 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36335 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36335 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.2 mM [U-100% 13C; U-100% 15N] Chantal, 1.1 mM potassium phosphate, 5.6 mM sodium phosphate, 100 mM sodium chloride, 12 mg/mL Pf1 phage, 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 Chantal '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.2 . . mM . . . . 36335 2 2 'Pf1 phage' 'natural abundance' . . . . . . 12 . . mg/mL . . . . 36335 2 3 'potassium phosphate' 'natural abundance' . . . . . . 1.1 . . mM . . . . 36335 2 4 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 36335 2 5 'sodium phosphate' 'natural abundance' . . . . . buffer 5.6 . . mM . . . . 36335 2 6 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36335 2 7 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36335 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 36335 _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' 106.7 . mM 36335 1 pH 7.41 . pH 36335 1 pressure 1 . atm 36335 1 temperature 303 . K 36335 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36335 _Software.ID 1 _Software.Type . _Software.Name Amber _Software.Version 12 _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' . . 36335 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36335 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36335 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.98 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36335 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36335 2 'structure calculation' . 36335 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36335 _Software.ID 3 _Software.Type . _Software.Name MAGRO _Software.Version 2.01.21 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Updated version of Kujira (Kobayashi, N. et al., 2007)' . . 36335 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36335 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36335 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version 2017 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36335 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36335 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36335 _Software.ID 5 _Software.Type . _Software.Name NMRView _Software.Version 9.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 36335 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36335 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36335 _Software.ID 6 _Software.Type . _Software.Name TALOS _Software.Version 2017 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 36335 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36335 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 36335 _Software.ID 7 _Software.Type . _Software.Name TopSpin _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36335 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 36335 7 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 36335 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36335 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 36335 _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' . 800 . . . 36335 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 950 . . . 36335 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 36335 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36335 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36335 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36335 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36335 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36335 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36335 1 7 '3D HCCH-TOCSY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36335 1 8 '3D HCCH-TOCSY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36335 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36335 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36335 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36335 1 12 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36335 1 13 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36335 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 36335 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 303K) and then those of 15N and 13C were calculated based on their gyro-magnetic ratios. ; 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 . . . . . 36335 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36335 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36335 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 36335 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36335 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 36335 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 36335 1 4 '3D HNCO' 1 $sample_1 isotropic 36335 1 5 '3D HNCACB' 1 $sample_1 isotropic 36335 1 6 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36335 1 7 '3D HCCH-TOCSY aliphatic' 1 $sample_1 isotropic 36335 1 8 '3D HCCH-TOCSY aromatic' 1 $sample_1 isotropic 36335 1 9 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36335 1 10 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36335 1 11 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36335 1 12 '2D 1H-15N HSQC IPAP' 1 $sample_1 isotropic 36335 1 13 '2D 1H-15N HSQC IPAP' 2 $sample_2 anisotropic 36335 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 3.970 0.030 . 2 . . . . A 1 GLY HA2 . 36335 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.998 0.030 . 2 . . . . A 1 GLY HA3 . 36335 1 3 . 1 . 1 1 1 GLY CA C 13 43.623 0.300 . 1 . . . . A 1 GLY CA . 36335 1 4 . 1 . 1 2 2 GLU HA H 1 4.291 0.030 . 1 . . . . A 2 GLU HA . 36335 1 5 . 1 . 1 2 2 GLU HB2 H 1 2.022 0.030 . 1 . . . . A 2 GLU HB2 . 36335 1 6 . 1 . 1 2 2 GLU HB3 H 1 2.022 0.030 . 1 . . . . A 2 GLU HB3 . 36335 1 7 . 1 . 1 2 2 GLU C C 13 177.421 0.300 . 1 . . . . A 2 GLU C . 36335 1 8 . 1 . 1 2 2 GLU CA C 13 57.557 0.300 . 1 . . . . A 2 GLU CA . 36335 1 9 . 1 . 1 2 2 GLU CB C 13 29.640 0.300 . 1 . . . . A 2 GLU CB . 36335 1 10 . 1 . 1 2 2 GLU CG C 13 36.319 0.300 . 1 . . . . A 2 GLU CG . 36335 1 11 . 1 . 1 3 3 GLU H H 1 9.003 0.030 . 1 . . . . A 3 GLU H . 36335 1 12 . 1 . 1 3 3 GLU HA H 1 4.252 0.030 . 1 . . . . A 3 GLU HA . 36335 1 13 . 1 . 1 3 3 GLU HG2 H 1 2.348 0.030 . 2 . . . . A 3 GLU HG2 . 36335 1 14 . 1 . 1 3 3 GLU HG3 H 1 2.377 0.030 . 2 . . . . A 3 GLU HG3 . 36335 1 15 . 1 . 1 3 3 GLU C C 13 177.879 0.300 . 1 . . . . A 3 GLU C . 36335 1 16 . 1 . 1 3 3 GLU CA C 13 58.690 0.300 . 1 . . . . A 3 GLU CA . 36335 1 17 . 1 . 1 3 3 GLU CB C 13 29.344 0.300 . 1 . . . . A 3 GLU CB . 36335 1 18 . 1 . 1 3 3 GLU CG C 13 36.392 0.300 . 1 . . . . A 3 GLU CG . 36335 1 19 . 1 . 1 3 3 GLU N N 15 121.902 0.300 . 1 . . . . A 3 GLU N . 36335 1 20 . 1 . 1 4 4 GLU H H 1 8.479 0.030 . 1 . . . . A 4 GLU H . 36335 1 21 . 1 . 1 4 4 GLU HA H 1 4.153 0.030 . 1 . . . . A 4 GLU HA . 36335 1 22 . 1 . 1 4 4 GLU HB2 H 1 2.164 0.030 . 1 . . . . A 4 GLU HB2 . 36335 1 23 . 1 . 1 4 4 GLU HB3 H 1 2.164 0.030 . 1 . . . . A 4 GLU HB3 . 36335 1 24 . 1 . 1 4 4 GLU HG2 H 1 2.367 0.030 . 1 . . . . A 4 GLU HG2 . 36335 1 25 . 1 . 1 4 4 GLU HG3 H 1 2.367 0.030 . 1 . . . . A 4 GLU HG3 . 36335 1 26 . 1 . 1 4 4 GLU C C 13 177.945 0.300 . 1 . . . . A 4 GLU C . 36335 1 27 . 1 . 1 4 4 GLU CA C 13 58.966 0.300 . 1 . . . . A 4 GLU CA . 36335 1 28 . 1 . 1 4 4 GLU CB C 13 29.505 0.300 . 1 . . . . A 4 GLU CB . 36335 1 29 . 1 . 1 4 4 GLU CG C 13 36.543 0.300 . 1 . . . . A 4 GLU CG . 36335 1 30 . 1 . 1 4 4 GLU N N 15 120.570 0.300 . 1 . . . . A 4 GLU N . 36335 1 31 . 1 . 1 5 5 LYS H H 1 7.981 0.030 . 1 . . . . A 5 LYS H . 36335 1 32 . 1 . 1 5 5 LYS HA H 1 4.149 0.030 . 1 . . . . A 5 LYS HA . 36335 1 33 . 1 . 1 5 5 LYS HB2 H 1 1.978 0.030 . 1 . . . . A 5 LYS HB2 . 36335 1 34 . 1 . 1 5 5 LYS HB3 H 1 1.978 0.030 . 1 . . . . A 5 LYS HB3 . 36335 1 35 . 1 . 1 5 5 LYS HD2 H 1 1.754 0.030 . 1 . . . . A 5 LYS HD2 . 36335 1 36 . 1 . 1 5 5 LYS HD3 H 1 1.754 0.030 . 1 . . . . A 5 LYS HD3 . 36335 1 37 . 1 . 1 5 5 LYS HE2 H 1 2.992 0.030 . 2 . . . . A 5 LYS HE2 . 36335 1 38 . 1 . 1 5 5 LYS HE3 H 1 3.013 0.030 . 2 . . . . A 5 LYS HE3 . 36335 1 39 . 1 . 1 5 5 LYS C C 13 178.727 0.300 . 1 . . . . A 5 LYS C . 36335 1 40 . 1 . 1 5 5 LYS CA C 13 58.583 0.300 . 1 . . . . A 5 LYS CA . 36335 1 41 . 1 . 1 5 5 LYS CB C 13 32.275 0.300 . 1 . . . . A 5 LYS CB . 36335 1 42 . 1 . 1 5 5 LYS CG C 13 25.142 0.300 . 1 . . . . A 5 LYS CG . 36335 1 43 . 1 . 1 5 5 LYS CD C 13 29.154 0.300 . 1 . . . . A 5 LYS CD . 36335 1 44 . 1 . 1 5 5 LYS CE C 13 42.137 0.300 . 1 . . . . A 5 LYS CE . 36335 1 45 . 1 . 1 5 5 LYS N N 15 119.177 0.300 . 1 . . . . A 5 LYS N . 36335 1 46 . 1 . 1 6 6 GLU H H 1 8.040 0.030 . 1 . . . . A 6 GLU H . 36335 1 47 . 1 . 1 6 6 GLU HA H 1 4.167 0.030 . 1 . . . . A 6 GLU HA . 36335 1 48 . 1 . 1 6 6 GLU HB2 H 1 2.157 0.030 . 1 . . . . A 6 GLU HB2 . 36335 1 49 . 1 . 1 6 6 GLU HB3 H 1 2.157 0.030 . 1 . . . . A 6 GLU HB3 . 36335 1 50 . 1 . 1 6 6 GLU HG2 H 1 2.377 0.030 . 1 . . . . A 6 GLU HG2 . 36335 1 51 . 1 . 1 6 6 GLU HG3 H 1 2.377 0.030 . 1 . . . . A 6 GLU HG3 . 36335 1 52 . 1 . 1 6 6 GLU C C 13 178.540 0.300 . 1 . . . . A 6 GLU C . 36335 1 53 . 1 . 1 6 6 GLU CA C 13 58.667 0.300 . 1 . . . . A 6 GLU CA . 36335 1 54 . 1 . 1 6 6 GLU CB C 13 29.592 0.300 . 1 . . . . A 6 GLU CB . 36335 1 55 . 1 . 1 6 6 GLU CG C 13 36.745 0.300 . 1 . . . . A 6 GLU CG . 36335 1 56 . 1 . 1 6 6 GLU N N 15 119.409 0.300 . 1 . . . . A 6 GLU N . 36335 1 57 . 1 . 1 7 7 ILE H H 1 7.821 0.030 . 1 . . . . A 7 ILE H . 36335 1 58 . 1 . 1 7 7 ILE HA H 1 3.821 0.030 . 1 . . . . A 7 ILE HA . 36335 1 59 . 1 . 1 7 7 ILE HB H 1 2.192 0.030 . 1 . . . . A 7 ILE HB . 36335 1 60 . 1 . 1 7 7 ILE HG12 H 1 1.372 0.030 . 2 . . . . A 7 ILE HG12 . 36335 1 61 . 1 . 1 7 7 ILE HG13 H 1 1.806 0.030 . 2 . . . . A 7 ILE HG13 . 36335 1 62 . 1 . 1 7 7 ILE HG21 H 1 1.207 0.030 . 1 . . . . A 7 ILE HG21 . 36335 1 63 . 1 . 1 7 7 ILE HG22 H 1 1.207 0.030 . 1 . . . . A 7 ILE HG22 . 36335 1 64 . 1 . 1 7 7 ILE HG23 H 1 1.207 0.030 . 1 . . . . A 7 ILE HG23 . 36335 1 65 . 1 . 1 7 7 ILE HD11 H 1 0.929 0.030 . 1 . . . . A 7 ILE HD11 . 36335 1 66 . 1 . 1 7 7 ILE HD12 H 1 0.929 0.030 . 1 . . . . A 7 ILE HD12 . 36335 1 67 . 1 . 1 7 7 ILE HD13 H 1 0.929 0.030 . 1 . . . . A 7 ILE HD13 . 36335 1 68 . 1 . 1 7 7 ILE C C 13 177.316 0.300 . 1 . . . . A 7 ILE C . 36335 1 69 . 1 . 1 7 7 ILE CA C 13 64.889 0.300 . 1 . . . . A 7 ILE CA . 36335 1 70 . 1 . 1 7 7 ILE CB C 13 37.753 0.300 . 1 . . . . A 7 ILE CB . 36335 1 71 . 1 . 1 7 7 ILE CG1 C 13 28.681 0.300 . 1 . . . . A 7 ILE CG1 . 36335 1 72 . 1 . 1 7 7 ILE CG2 C 13 18.029 0.300 . 1 . . . . A 7 ILE CG2 . 36335 1 73 . 1 . 1 7 7 ILE CD1 C 13 13.018 0.300 . 1 . . . . A 7 ILE CD1 . 36335 1 74 . 1 . 1 7 7 ILE N N 15 119.104 0.300 . 1 . . . . A 7 ILE N . 36335 1 75 . 1 . 1 8 8 ASP H H 1 8.106 0.030 . 1 . . . . A 8 ASP H . 36335 1 76 . 1 . 1 8 8 ASP HA H 1 4.261 0.030 . 1 . . . . A 8 ASP HA . 36335 1 77 . 1 . 1 8 8 ASP HB2 H 1 2.749 0.030 . 2 . . . . A 8 ASP HB2 . 36335 1 78 . 1 . 1 8 8 ASP HB3 H 1 2.834 0.030 . 2 . . . . A 8 ASP HB3 . 36335 1 79 . 1 . 1 8 8 ASP C C 13 178.540 0.300 . 1 . . . . A 8 ASP C . 36335 1 80 . 1 . 1 8 8 ASP CA C 13 58.184 0.300 . 1 . . . . A 8 ASP CA . 36335 1 81 . 1 . 1 8 8 ASP CB C 13 40.516 0.300 . 1 . . . . A 8 ASP CB . 36335 1 82 . 1 . 1 8 8 ASP N N 15 119.816 0.300 . 1 . . . . A 8 ASP N . 36335 1 83 . 1 . 1 9 9 LYS H H 1 7.835 0.030 . 1 . . . . A 9 LYS H . 36335 1 84 . 1 . 1 9 9 LYS HA H 1 4.191 0.030 . 1 . . . . A 9 LYS HA . 36335 1 85 . 1 . 1 9 9 LYS HB2 H 1 1.573 0.030 . 2 . . . . A 9 LYS HB2 . 36335 1 86 . 1 . 1 9 9 LYS HB3 H 1 1.599 0.030 . 2 . . . . A 9 LYS HB3 . 36335 1 87 . 1 . 1 9 9 LYS HG2 H 1 0.942 0.030 . 1 . . . . A 9 LYS HG2 . 36335 1 88 . 1 . 1 9 9 LYS HG3 H 1 0.942 0.030 . 1 . . . . A 9 LYS HG3 . 36335 1 89 . 1 . 1 9 9 LYS HD2 H 1 1.541 0.030 . 2 . . . . A 9 LYS HD2 . 36335 1 90 . 1 . 1 9 9 LYS HD3 H 1 1.563 0.030 . 2 . . . . A 9 LYS HD3 . 36335 1 91 . 1 . 1 9 9 LYS C C 13 178.789 0.300 . 1 . . . . A 9 LYS C . 36335 1 92 . 1 . 1 9 9 LYS CA C 13 58.581 0.300 . 1 . . . . A 9 LYS CA . 36335 1 93 . 1 . 1 9 9 LYS CB C 13 33.301 0.300 . 1 . . . . A 9 LYS CB . 36335 1 94 . 1 . 1 9 9 LYS CG C 13 26.068 0.300 . 1 . . . . A 9 LYS CG . 36335 1 95 . 1 . 1 9 9 LYS CD C 13 27.979 0.300 . 1 . . . . A 9 LYS CD . 36335 1 96 . 1 . 1 9 9 LYS CE C 13 43.159 0.300 . 1 . . . . A 9 LYS CE . 36335 1 97 . 1 . 1 9 9 LYS N N 15 118.691 0.300 . 1 . . . . A 9 LYS N . 36335 1 98 . 1 . 1 10 10 LEU H H 1 7.999 0.030 . 1 . . . . A 10 LEU H . 36335 1 99 . 1 . 1 10 10 LEU HA H 1 4.128 0.030 . 1 . . . . A 10 LEU HA . 36335 1 100 . 1 . 1 10 10 LEU HB2 H 1 1.430 0.030 . 2 . . . . A 10 LEU HB2 . 36335 1 101 . 1 . 1 10 10 LEU HB3 H 1 2.037 0.030 . 2 . . . . A 10 LEU HB3 . 36335 1 102 . 1 . 1 10 10 LEU HD11 H 1 0.911 0.030 . 2 . . . . A 10 LEU HD11 . 36335 1 103 . 1 . 1 10 10 LEU HD12 H 1 0.911 0.030 . 2 . . . . A 10 LEU HD12 . 36335 1 104 . 1 . 1 10 10 LEU HD13 H 1 0.911 0.030 . 2 . . . . A 10 LEU HD13 . 36335 1 105 . 1 . 1 10 10 LEU CA C 13 58.426 0.300 . 1 . . . . A 10 LEU CA . 36335 1 106 . 1 . 1 10 10 LEU CB C 13 41.830 0.300 . 1 . . . . A 10 LEU CB . 36335 1 107 . 1 . 1 10 10 LEU CD1 C 13 24.765 0.300 . 2 . . . . A 10 LEU CD1 . 36335 1 108 . 1 . 1 10 10 LEU N N 15 120.234 0.300 . 1 . . . . A 10 LEU N . 36335 1 109 . 1 . 1 11 11 VAL H H 1 8.126 0.030 . 1 . . . . A 11 VAL H . 36335 1 110 . 1 . 1 11 11 VAL HA H 1 3.394 0.030 . 1 . . . . A 11 VAL HA . 36335 1 111 . 1 . 1 11 11 VAL HB H 1 1.921 0.030 . 1 . . . . A 11 VAL HB . 36335 1 112 . 1 . 1 11 11 VAL HG11 H 1 0.317 0.030 . 2 . . . . A 11 VAL HG11 . 36335 1 113 . 1 . 1 11 11 VAL HG12 H 1 0.317 0.030 . 2 . . . . A 11 VAL HG12 . 36335 1 114 . 1 . 1 11 11 VAL HG13 H 1 0.317 0.030 . 2 . . . . A 11 VAL HG13 . 36335 1 115 . 1 . 1 11 11 VAL HG21 H 1 0.699 0.030 . 2 . . . . A 11 VAL HG21 . 36335 1 116 . 1 . 1 11 11 VAL HG22 H 1 0.699 0.030 . 2 . . . . A 11 VAL HG22 . 36335 1 117 . 1 . 1 11 11 VAL HG23 H 1 0.699 0.030 . 2 . . . . A 11 VAL HG23 . 36335 1 118 . 1 . 1 11 11 VAL C C 13 177.289 0.300 . 1 . . . . A 11 VAL C . 36335 1 119 . 1 . 1 11 11 VAL CA C 13 67.577 0.300 . 1 . . . . A 11 VAL CA . 36335 1 120 . 1 . 1 11 11 VAL CB C 13 30.816 0.300 . 1 . . . . A 11 VAL CB . 36335 1 121 . 1 . 1 11 11 VAL CG1 C 13 20.948 0.300 . 2 . . . . A 11 VAL CG1 . 36335 1 122 . 1 . 1 11 11 VAL CG2 C 13 23.123 0.300 . 2 . . . . A 11 VAL CG2 . 36335 1 123 . 1 . 1 11 11 VAL N N 15 119.572 0.300 . 1 . . . . A 11 VAL N . 36335 1 124 . 1 . 1 12 12 GLU H H 1 7.874 0.030 . 1 . . . . A 12 GLU H . 36335 1 125 . 1 . 1 12 12 GLU HA H 1 4.026 0.030 . 1 . . . . A 12 GLU HA . 36335 1 126 . 1 . 1 12 12 GLU HB2 H 1 2.166 0.030 . 2 . . . . A 12 GLU HB2 . 36335 1 127 . 1 . 1 12 12 GLU HB3 H 1 2.189 0.030 . 2 . . . . A 12 GLU HB3 . 36335 1 128 . 1 . 1 12 12 GLU HG2 H 1 2.199 0.030 . 2 . . . . A 12 GLU HG2 . 36335 1 129 . 1 . 1 12 12 GLU HG3 H 1 2.233 0.030 . 2 . . . . A 12 GLU HG3 . 36335 1 130 . 1 . 1 12 12 GLU C C 13 179.200 0.300 . 1 . . . . A 12 GLU C . 36335 1 131 . 1 . 1 12 12 GLU CA C 13 59.475 0.300 . 1 . . . . A 12 GLU CA . 36335 1 132 . 1 . 1 12 12 GLU CB C 13 29.635 0.300 . 1 . . . . A 12 GLU CB . 36335 1 133 . 1 . 1 12 12 GLU CG C 13 36.241 0.300 . 1 . . . . A 12 GLU CG . 36335 1 134 . 1 . 1 12 12 GLU N N 15 119.698 0.300 . 1 . . . . A 12 GLU N . 36335 1 135 . 1 . 1 13 13 LEU H H 1 8.370 0.030 . 1 . . . . A 13 LEU H . 36335 1 136 . 1 . 1 13 13 LEU HA H 1 4.205 0.030 . 1 . . . . A 13 LEU HA . 36335 1 137 . 1 . 1 13 13 LEU HB2 H 1 1.552 0.030 . 2 . . . . A 13 LEU HB2 . 36335 1 138 . 1 . 1 13 13 LEU HB3 H 1 2.014 0.030 . 2 . . . . A 13 LEU HB3 . 36335 1 139 . 1 . 1 13 13 LEU HG H 1 1.901 0.030 . 1 . . . . A 13 LEU HG . 36335 1 140 . 1 . 1 13 13 LEU HD11 H 1 0.976 0.030 . 2 . . . . A 13 LEU HD11 . 36335 1 141 . 1 . 1 13 13 LEU HD12 H 1 0.976 0.030 . 2 . . . . A 13 LEU HD12 . 36335 1 142 . 1 . 1 13 13 LEU HD13 H 1 0.976 0.030 . 2 . . . . A 13 LEU HD13 . 36335 1 143 . 1 . 1 13 13 LEU HD21 H 1 0.950 0.030 . 2 . . . . A 13 LEU HD21 . 36335 1 144 . 1 . 1 13 13 LEU HD22 H 1 0.950 0.030 . 2 . . . . A 13 LEU HD22 . 36335 1 145 . 1 . 1 13 13 LEU HD23 H 1 0.950 0.030 . 2 . . . . A 13 LEU HD23 . 36335 1 146 . 1 . 1 13 13 LEU C C 13 179.998 0.300 . 1 . . . . A 13 LEU C . 36335 1 147 . 1 . 1 13 13 LEU CA C 13 57.886 0.300 . 1 . . . . A 13 LEU CA . 36335 1 148 . 1 . 1 13 13 LEU CB C 13 42.366 0.300 . 1 . . . . A 13 LEU CB . 36335 1 149 . 1 . 1 13 13 LEU CG C 13 27.199 0.300 . 1 . . . . A 13 LEU CG . 36335 1 150 . 1 . 1 13 13 LEU CD1 C 13 24.199 0.300 . 2 . . . . A 13 LEU CD1 . 36335 1 151 . 1 . 1 13 13 LEU CD2 C 13 26.344 0.300 . 2 . . . . A 13 LEU CD2 . 36335 1 152 . 1 . 1 13 13 LEU N N 15 120.509 0.300 . 1 . . . . A 13 LEU N . 36335 1 153 . 1 . 1 14 14 PHE H H 1 8.738 0.030 . 1 . . . . A 14 PHE H . 36335 1 154 . 1 . 1 14 14 PHE HA H 1 4.017 0.030 . 1 . . . . A 14 PHE HA . 36335 1 155 . 1 . 1 14 14 PHE HB2 H 1 2.893 0.030 . 2 . . . . A 14 PHE HB2 . 36335 1 156 . 1 . 1 14 14 PHE HB3 H 1 3.386 0.030 . 2 . . . . A 14 PHE HB3 . 36335 1 157 . 1 . 1 14 14 PHE HD1 H 1 6.917 0.030 . 1 . . . . A 14 PHE HD1 . 36335 1 158 . 1 . 1 14 14 PHE HD2 H 1 6.917 0.030 . 1 . . . . A 14 PHE HD2 . 36335 1 159 . 1 . 1 14 14 PHE HE1 H 1 7.186 0.030 . 1 . . . . A 14 PHE HE1 . 36335 1 160 . 1 . 1 14 14 PHE HE2 H 1 7.186 0.030 . 1 . . . . A 14 PHE HE2 . 36335 1 161 . 1 . 1 14 14 PHE HZ H 1 6.971 0.030 . 1 . . . . A 14 PHE HZ . 36335 1 162 . 1 . 1 14 14 PHE C C 13 175.613 0.300 . 1 . . . . A 14 PHE C . 36335 1 163 . 1 . 1 14 14 PHE CA C 13 62.208 0.300 . 1 . . . . A 14 PHE CA . 36335 1 164 . 1 . 1 14 14 PHE CB C 13 38.789 0.300 . 1 . . . . A 14 PHE CB . 36335 1 165 . 1 . 1 14 14 PHE CD1 C 13 131.889 0.300 . 1 . . . . A 14 PHE CD1 . 36335 1 166 . 1 . 1 14 14 PHE CD2 C 13 131.889 0.300 . 1 . . . . A 14 PHE CD2 . 36335 1 167 . 1 . 1 14 14 PHE CE1 C 13 130.946 0.300 . 1 . . . . A 14 PHE CE1 . 36335 1 168 . 1 . 1 14 14 PHE CE2 C 13 130.946 0.300 . 1 . . . . A 14 PHE CE2 . 36335 1 169 . 1 . 1 14 14 PHE CZ C 13 128.236 0.300 . 1 . . . . A 14 PHE CZ . 36335 1 170 . 1 . 1 14 14 PHE N N 15 121.031 0.300 . 1 . . . . A 14 PHE N . 36335 1 171 . 1 . 1 15 15 ALA H H 1 8.767 0.030 . 1 . . . . A 15 ALA H . 36335 1 172 . 1 . 1 15 15 ALA HA H 1 3.925 0.030 . 1 . . . . A 15 ALA HA . 36335 1 173 . 1 . 1 15 15 ALA HB1 H 1 1.648 0.030 . 1 . . . . A 15 ALA HB1 . 36335 1 174 . 1 . 1 15 15 ALA HB2 H 1 1.648 0.030 . 1 . . . . A 15 ALA HB2 . 36335 1 175 . 1 . 1 15 15 ALA HB3 H 1 1.648 0.030 . 1 . . . . A 15 ALA HB3 . 36335 1 176 . 1 . 1 15 15 ALA C C 13 179.854 0.300 . 1 . . . . A 15 ALA C . 36335 1 177 . 1 . 1 15 15 ALA CA C 13 55.454 0.300 . 1 . . . . A 15 ALA CA . 36335 1 178 . 1 . 1 15 15 ALA CB C 13 18.859 0.300 . 1 . . . . A 15 ALA CB . 36335 1 179 . 1 . 1 15 15 ALA N N 15 122.791 0.300 . 1 . . . . A 15 ALA N . 36335 1 180 . 1 . 1 16 16 GLN H H 1 7.990 0.030 . 1 . . . . A 16 GLN H . 36335 1 181 . 1 . 1 16 16 GLN HA H 1 4.087 0.030 . 1 . . . . A 16 GLN HA . 36335 1 182 . 1 . 1 16 16 GLN HG2 H 1 2.442 0.030 . 2 . . . . A 16 GLN HG2 . 36335 1 183 . 1 . 1 16 16 GLN HG3 H 1 2.600 0.030 . 2 . . . . A 16 GLN HG3 . 36335 1 184 . 1 . 1 16 16 GLN HE21 H 1 6.767 0.030 . 2 . . . . A 16 GLN HE21 . 36335 1 185 . 1 . 1 16 16 GLN HE22 H 1 7.646 0.030 . 2 . . . . A 16 GLN HE22 . 36335 1 186 . 1 . 1 16 16 GLN C C 13 178.121 0.300 . 1 . . . . A 16 GLN C . 36335 1 187 . 1 . 1 16 16 GLN CA C 13 58.547 0.300 . 1 . . . . A 16 GLN CA . 36335 1 188 . 1 . 1 16 16 GLN CB C 13 28.644 0.300 . 1 . . . . A 16 GLN CB . 36335 1 189 . 1 . 1 16 16 GLN CG C 13 33.943 0.300 . 1 . . . . A 16 GLN CG . 36335 1 190 . 1 . 1 16 16 GLN N N 15 117.994 0.300 . 1 . . . . A 16 GLN N . 36335 1 191 . 1 . 1 16 16 GLN NE2 N 15 112.736 0.300 . 1 . . . . A 16 GLN NE2 . 36335 1 192 . 1 . 1 17 17 ALA H H 1 8.333 0.030 . 1 . . . . A 17 ALA H . 36335 1 193 . 1 . 1 17 17 ALA HA H 1 4.181 0.030 . 1 . . . . A 17 ALA HA . 36335 1 194 . 1 . 1 17 17 ALA HB1 H 1 1.561 0.030 . 1 . . . . A 17 ALA HB1 . 36335 1 195 . 1 . 1 17 17 ALA HB2 H 1 1.561 0.030 . 1 . . . . A 17 ALA HB2 . 36335 1 196 . 1 . 1 17 17 ALA HB3 H 1 1.561 0.030 . 1 . . . . A 17 ALA HB3 . 36335 1 197 . 1 . 1 17 17 ALA C C 13 179.783 0.300 . 1 . . . . A 17 ALA C . 36335 1 198 . 1 . 1 17 17 ALA CA C 13 54.671 0.300 . 1 . . . . A 17 ALA CA . 36335 1 199 . 1 . 1 17 17 ALA CB C 13 18.620 0.300 . 1 . . . . A 17 ALA CB . 36335 1 200 . 1 . 1 17 17 ALA N N 15 122.308 0.300 . 1 . . . . A 17 ALA N . 36335 1 201 . 1 . 1 18 18 TYR H H 1 8.980 0.030 . 1 . . . . A 18 TYR H . 36335 1 202 . 1 . 1 18 18 TYR HA H 1 3.785 0.030 . 1 . . . . A 18 TYR HA . 36335 1 203 . 1 . 1 18 18 TYR HB2 H 1 2.040 0.030 . 2 . . . . A 18 TYR HB2 . 36335 1 204 . 1 . 1 18 18 TYR HB3 H 1 2.782 0.030 . 2 . . . . A 18 TYR HB3 . 36335 1 205 . 1 . 1 18 18 TYR HD1 H 1 6.851 0.030 . 1 . . . . A 18 TYR HD1 . 36335 1 206 . 1 . 1 18 18 TYR HD2 H 1 6.851 0.030 . 1 . . . . A 18 TYR HD2 . 36335 1 207 . 1 . 1 18 18 TYR HE1 H 1 6.956 0.030 . 1 . . . . A 18 TYR HE1 . 36335 1 208 . 1 . 1 18 18 TYR HE2 H 1 6.956 0.030 . 1 . . . . A 18 TYR HE2 . 36335 1 209 . 1 . 1 18 18 TYR HH H 1 3.373 0.030 . 1 . . . . A 18 TYR HH . 36335 1 210 . 1 . 1 18 18 TYR C C 13 175.997 0.300 . 1 . . . . A 18 TYR C . 36335 1 211 . 1 . 1 18 18 TYR CA C 13 62.368 0.300 . 1 . . . . A 18 TYR CA . 36335 1 212 . 1 . 1 18 18 TYR CB C 13 37.630 0.300 . 1 . . . . A 18 TYR CB . 36335 1 213 . 1 . 1 18 18 TYR CD1 C 13 132.990 0.300 . 1 . . . . A 18 TYR CD1 . 36335 1 214 . 1 . 1 18 18 TYR CD2 C 13 132.990 0.300 . 1 . . . . A 18 TYR CD2 . 36335 1 215 . 1 . 1 18 18 TYR CE1 C 13 118.329 0.300 . 1 . . . . A 18 TYR CE1 . 36335 1 216 . 1 . 1 18 18 TYR CE2 C 13 118.329 0.300 . 1 . . . . A 18 TYR CE2 . 36335 1 217 . 1 . 1 18 18 TYR N N 15 123.578 0.300 . 1 . . . . A 18 TYR N . 36335 1 218 . 1 . 1 19 19 GLU H H 1 7.560 0.030 . 1 . . . . A 19 GLU H . 36335 1 219 . 1 . 1 19 19 GLU HA H 1 3.745 0.030 . 1 . . . . A 19 GLU HA . 36335 1 220 . 1 . 1 19 19 GLU HB2 H 1 2.107 0.030 . 1 . . . . A 19 GLU HB2 . 36335 1 221 . 1 . 1 19 19 GLU HB3 H 1 2.107 0.030 . 1 . . . . A 19 GLU HB3 . 36335 1 222 . 1 . 1 19 19 GLU HG2 H 1 2.037 0.030 . 1 . . . . A 19 GLU HG2 . 36335 1 223 . 1 . 1 19 19 GLU HG3 H 1 2.037 0.030 . 1 . . . . A 19 GLU HG3 . 36335 1 224 . 1 . 1 19 19 GLU CA C 13 59.384 0.300 . 1 . . . . A 19 GLU CA . 36335 1 225 . 1 . 1 19 19 GLU CB C 13 29.006 0.300 . 1 . . . . A 19 GLU CB . 36335 1 226 . 1 . 1 19 19 GLU CG C 13 37.616 0.300 . 1 . . . . A 19 GLU CG . 36335 1 227 . 1 . 1 19 19 GLU N N 15 119.145 0.300 . 1 . . . . A 19 GLU N . 36335 1 228 . 1 . 1 20 20 ASP H H 1 7.943 0.030 . 1 . . . . A 20 ASP H . 36335 1 229 . 1 . 1 20 20 ASP HA H 1 4.269 0.030 . 1 . . . . A 20 ASP HA . 36335 1 230 . 1 . 1 20 20 ASP HB2 H 1 2.596 0.030 . 2 . . . . A 20 ASP HB2 . 36335 1 231 . 1 . 1 20 20 ASP HB3 H 1 2.715 0.030 . 2 . . . . A 20 ASP HB3 . 36335 1 232 . 1 . 1 20 20 ASP C C 13 178.003 0.300 . 1 . . . . A 20 ASP C . 36335 1 233 . 1 . 1 20 20 ASP CA C 13 57.226 0.300 . 1 . . . . A 20 ASP CA . 36335 1 234 . 1 . 1 20 20 ASP CB C 13 41.052 0.300 . 1 . . . . A 20 ASP CB . 36335 1 235 . 1 . 1 20 20 ASP N N 15 118.288 0.300 . 1 . . . . A 20 ASP N . 36335 1 236 . 1 . 1 21 21 ALA H H 1 8.115 0.030 . 1 . . . . A 21 ALA H . 36335 1 237 . 1 . 1 21 21 ALA HA H 1 4.011 0.030 . 1 . . . . A 21 ALA HA . 36335 1 238 . 1 . 1 21 21 ALA HB1 H 1 1.530 0.030 . 1 . . . . A 21 ALA HB1 . 36335 1 239 . 1 . 1 21 21 ALA HB2 H 1 1.530 0.030 . 1 . . . . A 21 ALA HB2 . 36335 1 240 . 1 . 1 21 21 ALA HB3 H 1 1.530 0.030 . 1 . . . . A 21 ALA HB3 . 36335 1 241 . 1 . 1 21 21 ALA C C 13 179.096 0.300 . 1 . . . . A 21 ALA C . 36335 1 242 . 1 . 1 21 21 ALA CA C 13 55.085 0.300 . 1 . . . . A 21 ALA CA . 36335 1 243 . 1 . 1 21 21 ALA CB C 13 18.567 0.300 . 1 . . . . A 21 ALA CB . 36335 1 244 . 1 . 1 21 21 ALA N N 15 122.837 0.300 . 1 . . . . A 21 ALA N . 36335 1 245 . 1 . 1 22 22 ARG H H 1 7.453 0.030 . 1 . . . . A 22 ARG H . 36335 1 246 . 1 . 1 22 22 ARG HA H 1 2.033 0.030 . 1 . . . . A 22 ARG HA . 36335 1 247 . 1 . 1 22 22 ARG HB2 H 1 0.421 0.030 . 2 . . . . A 22 ARG HB2 . 36335 1 248 . 1 . 1 22 22 ARG HB3 H 1 0.895 0.030 . 2 . . . . A 22 ARG HB3 . 36335 1 249 . 1 . 1 22 22 ARG HG2 H 1 -0.023 0.030 . 1 . . . . A 22 ARG HG2 . 36335 1 250 . 1 . 1 22 22 ARG HG3 H 1 -0.023 0.030 . 1 . . . . A 22 ARG HG3 . 36335 1 251 . 1 . 1 22 22 ARG HD2 H 1 2.469 0.030 . 2 . . . . A 22 ARG HD2 . 36335 1 252 . 1 . 1 22 22 ARG HD3 H 1 2.576 0.030 . 2 . . . . A 22 ARG HD3 . 36335 1 253 . 1 . 1 22 22 ARG HE H 1 6.632 0.030 . 1 . . . . A 22 ARG HE . 36335 1 254 . 1 . 1 22 22 ARG C C 13 177.472 0.300 . 1 . . . . A 22 ARG C . 36335 1 255 . 1 . 1 22 22 ARG CA C 13 57.752 0.300 . 1 . . . . A 22 ARG CA . 36335 1 256 . 1 . 1 22 22 ARG CB C 13 29.442 0.300 . 1 . . . . A 22 ARG CB . 36335 1 257 . 1 . 1 22 22 ARG CG C 13 25.593 0.300 . 1 . . . . A 22 ARG CG . 36335 1 258 . 1 . 1 22 22 ARG CD C 13 43.880 0.300 . 1 . . . . A 22 ARG CD . 36335 1 259 . 1 . 1 22 22 ARG CZ C 13 159.522 0.300 . 1 . . . . A 22 ARG CZ . 36335 1 260 . 1 . 1 22 22 ARG N N 15 117.702 0.300 . 1 . . . . A 22 ARG N . 36335 1 261 . 1 . 1 22 22 ARG NE N 15 84.749 0.300 . 1 . . . . A 22 ARG NE . 36335 1 262 . 1 . 1 23 23 GLU H H 1 7.241 0.030 . 1 . . . . A 23 GLU H . 36335 1 263 . 1 . 1 23 23 GLU HA H 1 3.903 0.030 . 1 . . . . A 23 GLU HA . 36335 1 264 . 1 . 1 23 23 GLU HB2 H 1 2.019 0.030 . 1 . . . . A 23 GLU HB2 . 36335 1 265 . 1 . 1 23 23 GLU HB3 H 1 2.019 0.030 . 1 . . . . A 23 GLU HB3 . 36335 1 266 . 1 . 1 23 23 GLU HG2 H 1 2.329 0.030 . 1 . . . . A 23 GLU HG2 . 36335 1 267 . 1 . 1 23 23 GLU HG3 H 1 2.329 0.030 . 1 . . . . A 23 GLU HG3 . 36335 1 268 . 1 . 1 23 23 GLU C C 13 178.505 0.300 . 1 . . . . A 23 GLU C . 36335 1 269 . 1 . 1 23 23 GLU CA C 13 57.905 0.300 . 1 . . . . A 23 GLU CA . 36335 1 270 . 1 . 1 23 23 GLU CB C 13 29.466 0.300 . 1 . . . . A 23 GLU CB . 36335 1 271 . 1 . 1 23 23 GLU CG C 13 36.080 0.300 . 1 . . . . A 23 GLU CG . 36335 1 272 . 1 . 1 23 23 GLU N N 15 115.886 0.300 . 1 . . . . A 23 GLU N . 36335 1 273 . 1 . 1 24 24 LYS H H 1 7.726 0.030 . 1 . . . . A 24 LYS H . 36335 1 274 . 1 . 1 24 24 LYS HA H 1 4.034 0.030 . 1 . . . . A 24 LYS HA . 36335 1 275 . 1 . 1 24 24 LYS HB2 H 1 1.855 0.030 . 1 . . . . A 24 LYS HB2 . 36335 1 276 . 1 . 1 24 24 LYS HB3 H 1 1.855 0.030 . 1 . . . . A 24 LYS HB3 . 36335 1 277 . 1 . 1 24 24 LYS HG2 H 1 0.861 0.030 . 2 . . . . A 24 LYS HG2 . 36335 1 278 . 1 . 1 24 24 LYS HG3 H 1 1.066 0.030 . 2 . . . . A 24 LYS HG3 . 36335 1 279 . 1 . 1 24 24 LYS HD2 H 1 1.276 0.030 . 2 . . . . A 24 LYS HD2 . 36335 1 280 . 1 . 1 24 24 LYS HD3 H 1 1.571 0.030 . 2 . . . . A 24 LYS HD3 . 36335 1 281 . 1 . 1 24 24 LYS HE2 H 1 2.833 0.030 . 1 . . . . A 24 LYS HE2 . 36335 1 282 . 1 . 1 24 24 LYS HE3 H 1 2.833 0.030 . 1 . . . . A 24 LYS HE3 . 36335 1 283 . 1 . 1 24 24 LYS C C 13 177.564 0.300 . 1 . . . . A 24 LYS C . 36335 1 284 . 1 . 1 24 24 LYS CA C 13 57.965 0.300 . 1 . . . . A 24 LYS CA . 36335 1 285 . 1 . 1 24 24 LYS CB C 13 33.411 0.300 . 1 . . . . A 24 LYS CB . 36335 1 286 . 1 . 1 24 24 LYS CG C 13 24.555 0.300 . 1 . . . . A 24 LYS CG . 36335 1 287 . 1 . 1 24 24 LYS CD C 13 33.285 0.300 . 1 . . . . A 24 LYS CD . 36335 1 288 . 1 . 1 24 24 LYS CE C 13 41.945 0.300 . 1 . . . . A 24 LYS CE . 36335 1 289 . 1 . 1 24 24 LYS N N 15 117.419 0.300 . 1 . . . . A 24 LYS N . 36335 1 290 . 1 . 1 25 25 LYS H H 1 7.866 0.030 . 1 . . . . A 25 LYS H . 36335 1 291 . 1 . 1 25 25 LYS HA H 1 4.822 0.030 . 1 . . . . A 25 LYS HA . 36335 1 292 . 1 . 1 25 25 LYS HB2 H 1 2.034 0.030 . 1 . . . . A 25 LYS HB2 . 36335 1 293 . 1 . 1 25 25 LYS HB3 H 1 2.034 0.030 . 1 . . . . A 25 LYS HB3 . 36335 1 294 . 1 . 1 25 25 LYS HG2 H 1 1.448 0.030 . 1 . . . . A 25 LYS HG2 . 36335 1 295 . 1 . 1 25 25 LYS HG3 H 1 1.448 0.030 . 1 . . . . A 25 LYS HG3 . 36335 1 296 . 1 . 1 25 25 LYS HD2 H 1 1.452 0.030 . 1 . . . . A 25 LYS HD2 . 36335 1 297 . 1 . 1 25 25 LYS HD3 H 1 1.452 0.030 . 1 . . . . A 25 LYS HD3 . 36335 1 298 . 1 . 1 25 25 LYS C C 13 177.588 0.300 . 1 . . . . A 25 LYS C . 36335 1 299 . 1 . 1 25 25 LYS CA C 13 54.250 0.300 . 1 . . . . A 25 LYS CA . 36335 1 300 . 1 . 1 25 25 LYS CB C 13 32.889 0.300 . 1 . . . . A 25 LYS CB . 36335 1 301 . 1 . 1 25 25 LYS CG C 13 25.484 0.300 . 1 . . . . A 25 LYS CG . 36335 1 302 . 1 . 1 25 25 LYS CD C 13 28.719 0.300 . 1 . . . . A 25 LYS CD . 36335 1 303 . 1 . 1 25 25 LYS N N 15 121.890 0.300 . 1 . . . . A 25 LYS N . 36335 1 304 . 1 . 1 26 26 ARG H H 1 8.360 0.030 . 1 . . . . A 26 ARG H . 36335 1 305 . 1 . 1 26 26 ARG HA H 1 4.369 0.030 . 1 . . . . A 26 ARG HA . 36335 1 306 . 1 . 1 26 26 ARG HB2 H 1 1.897 0.030 . 1 . . . . A 26 ARG HB2 . 36335 1 307 . 1 . 1 26 26 ARG HB3 H 1 1.897 0.030 . 1 . . . . A 26 ARG HB3 . 36335 1 308 . 1 . 1 26 26 ARG HG2 H 1 1.783 0.030 . 1 . . . . A 26 ARG HG2 . 36335 1 309 . 1 . 1 26 26 ARG HG3 H 1 1.783 0.030 . 1 . . . . A 26 ARG HG3 . 36335 1 310 . 1 . 1 26 26 ARG HD2 H 1 3.254 0.030 . 1 . . . . A 26 ARG HD2 . 36335 1 311 . 1 . 1 26 26 ARG HD3 H 1 3.254 0.030 . 1 . . . . A 26 ARG HD3 . 36335 1 312 . 1 . 1 26 26 ARG HE H 1 7.720 0.030 . 1 . . . . A 26 ARG HE . 36335 1 313 . 1 . 1 26 26 ARG C C 13 177.750 0.300 . 1 . . . . A 26 ARG C . 36335 1 314 . 1 . 1 26 26 ARG CA C 13 59.150 0.300 . 1 . . . . A 26 ARG CA . 36335 1 315 . 1 . 1 26 26 ARG CB C 13 30.092 0.300 . 1 . . . . A 26 ARG CB . 36335 1 316 . 1 . 1 26 26 ARG CG C 13 27.263 0.300 . 1 . . . . A 26 ARG CG . 36335 1 317 . 1 . 1 26 26 ARG CD C 13 43.381 0.300 . 1 . . . . A 26 ARG CD . 36335 1 318 . 1 . 1 26 26 ARG CZ C 13 160.066 0.300 . 1 . . . . A 26 ARG CZ . 36335 1 319 . 1 . 1 26 26 ARG N N 15 124.030 0.300 . 1 . . . . A 26 ARG N . 36335 1 320 . 1 . 1 26 26 ARG NE N 15 84.632 0.300 . 1 . . . . A 26 ARG NE . 36335 1 321 . 1 . 1 27 27 ASN H H 1 8.669 0.030 . 1 . . . . A 27 ASN H . 36335 1 322 . 1 . 1 27 27 ASN HA H 1 5.122 0.030 . 1 . . . . A 27 ASN HA . 36335 1 323 . 1 . 1 27 27 ASN HB2 H 1 2.907 0.030 . 2 . . . . A 27 ASN HB2 . 36335 1 324 . 1 . 1 27 27 ASN HB3 H 1 3.039 0.030 . 2 . . . . A 27 ASN HB3 . 36335 1 325 . 1 . 1 27 27 ASN HD21 H 1 6.948 0.030 . 2 . . . . A 27 ASN HD21 . 36335 1 326 . 1 . 1 27 27 ASN HD22 H 1 7.652 0.030 . 2 . . . . A 27 ASN HD22 . 36335 1 327 . 1 . 1 27 27 ASN C C 13 175.554 0.300 . 1 . . . . A 27 ASN C . 36335 1 328 . 1 . 1 27 27 ASN CA C 13 52.734 0.300 . 1 . . . . A 27 ASN CA . 36335 1 329 . 1 . 1 27 27 ASN CB C 13 37.904 0.300 . 1 . . . . A 27 ASN CB . 36335 1 330 . 1 . 1 27 27 ASN N N 15 115.344 0.300 . 1 . . . . A 27 ASN N . 36335 1 331 . 1 . 1 27 27 ASN ND2 N 15 112.581 0.300 . 1 . . . . A 27 ASN ND2 . 36335 1 332 . 1 . 1 28 28 GLY H H 1 8.023 0.030 . 1 . . . . A 28 GLY H . 36335 1 333 . 1 . 1 28 28 GLY HA2 H 1 3.544 0.030 . 2 . . . . A 28 GLY HA2 . 36335 1 334 . 1 . 1 28 28 GLY HA3 H 1 4.379 0.030 . 2 . . . . A 28 GLY HA3 . 36335 1 335 . 1 . 1 28 28 GLY C C 13 171.105 0.300 . 1 . . . . A 28 GLY C . 36335 1 336 . 1 . 1 28 28 GLY CA C 13 44.448 0.300 . 1 . . . . A 28 GLY CA . 36335 1 337 . 1 . 1 28 28 GLY N N 15 107.278 0.300 . 1 . . . . A 28 GLY N . 36335 1 338 . 1 . 1 29 29 THR H H 1 6.863 0.030 . 1 . . . . A 29 THR H . 36335 1 339 . 1 . 1 29 29 THR HA H 1 4.221 0.030 . 1 . . . . A 29 THR HA . 36335 1 340 . 1 . 1 29 29 THR HB H 1 4.334 0.030 . 1 . . . . A 29 THR HB . 36335 1 341 . 1 . 1 29 29 THR HG21 H 1 1.124 0.030 . 1 . . . . A 29 THR HG21 . 36335 1 342 . 1 . 1 29 29 THR HG22 H 1 1.124 0.030 . 1 . . . . A 29 THR HG22 . 36335 1 343 . 1 . 1 29 29 THR HG23 H 1 1.124 0.030 . 1 . . . . A 29 THR HG23 . 36335 1 344 . 1 . 1 29 29 THR CA C 13 57.658 0.300 . 1 . . . . A 29 THR CA . 36335 1 345 . 1 . 1 29 29 THR CB C 13 70.049 0.300 . 1 . . . . A 29 THR CB . 36335 1 346 . 1 . 1 29 29 THR CG2 C 13 21.870 0.300 . 1 . . . . A 29 THR CG2 . 36335 1 347 . 1 . 1 29 29 THR N N 15 107.213 0.300 . 1 . . . . A 29 THR N . 36335 1 348 . 1 . 1 30 30 PRO HA H 1 4.360 0.030 . 1 . . . . A 30 PRO HA . 36335 1 349 . 1 . 1 30 30 PRO HB2 H 1 1.818 0.030 . 2 . . . . A 30 PRO HB2 . 36335 1 350 . 1 . 1 30 30 PRO HB3 H 1 2.455 0.030 . 2 . . . . A 30 PRO HB3 . 36335 1 351 . 1 . 1 30 30 PRO HG2 H 1 2.126 0.030 . 1 . . . . A 30 PRO HG2 . 36335 1 352 . 1 . 1 30 30 PRO HG3 H 1 2.126 0.030 . 1 . . . . A 30 PRO HG3 . 36335 1 353 . 1 . 1 30 30 PRO HD2 H 1 3.468 0.030 . 2 . . . . A 30 PRO HD2 . 36335 1 354 . 1 . 1 30 30 PRO HD3 H 1 3.656 0.030 . 2 . . . . A 30 PRO HD3 . 36335 1 355 . 1 . 1 30 30 PRO C C 13 177.194 0.300 . 1 . . . . A 30 PRO C . 36335 1 356 . 1 . 1 30 30 PRO CA C 13 65.631 0.300 . 1 . . . . A 30 PRO CA . 36335 1 357 . 1 . 1 30 30 PRO CB C 13 31.624 0.300 . 1 . . . . A 30 PRO CB . 36335 1 358 . 1 . 1 30 30 PRO CG C 13 27.852 0.300 . 1 . . . . A 30 PRO CG . 36335 1 359 . 1 . 1 30 30 PRO CD C 13 50.213 0.300 . 1 . . . . A 30 PRO CD . 36335 1 360 . 1 . 1 31 31 GLU H H 1 8.011 0.030 . 1 . . . . A 31 GLU H . 36335 1 361 . 1 . 1 31 31 GLU HA H 1 3.988 0.030 . 1 . . . . A 31 GLU HA . 36335 1 362 . 1 . 1 31 31 GLU HG2 H 1 2.314 0.030 . 1 . . . . A 31 GLU HG2 . 36335 1 363 . 1 . 1 31 31 GLU HG3 H 1 2.314 0.030 . 1 . . . . A 31 GLU HG3 . 36335 1 364 . 1 . 1 31 31 GLU C C 13 177.604 0.300 . 1 . . . . A 31 GLU C . 36335 1 365 . 1 . 1 31 31 GLU CA C 13 60.234 0.300 . 1 . . . . A 31 GLU CA . 36335 1 366 . 1 . 1 31 31 GLU CB C 13 28.656 0.300 . 1 . . . . A 31 GLU CB . 36335 1 367 . 1 . 1 31 31 GLU CG C 13 35.989 0.300 . 1 . . . . A 31 GLU CG . 36335 1 368 . 1 . 1 31 31 GLU N N 15 114.932 0.300 . 1 . . . . A 31 GLU N . 36335 1 369 . 1 . 1 32 32 GLU H H 1 7.272 0.030 . 1 . . . . A 32 GLU H . 36335 1 370 . 1 . 1 32 32 GLU HA H 1 4.051 0.030 . 1 . . . . A 32 GLU HA . 36335 1 371 . 1 . 1 32 32 GLU HB2 H 1 1.936 0.030 . 2 . . . . A 32 GLU HB2 . 36335 1 372 . 1 . 1 32 32 GLU HB3 H 1 1.956 0.030 . 2 . . . . A 32 GLU HB3 . 36335 1 373 . 1 . 1 32 32 GLU HG2 H 1 2.209 0.030 . 2 . . . . A 32 GLU HG2 . 36335 1 374 . 1 . 1 32 32 GLU HG3 H 1 2.249 0.030 . 2 . . . . A 32 GLU HG3 . 36335 1 375 . 1 . 1 32 32 GLU C C 13 178.687 0.300 . 1 . . . . A 32 GLU C . 36335 1 376 . 1 . 1 32 32 GLU CA C 13 59.253 0.300 . 1 . . . . A 32 GLU CA . 36335 1 377 . 1 . 1 32 32 GLU CB C 13 30.115 0.300 . 1 . . . . A 32 GLU CB . 36335 1 378 . 1 . 1 32 32 GLU CG C 13 36.203 0.300 . 1 . . . . A 32 GLU CG . 36335 1 379 . 1 . 1 32 32 GLU N N 15 118.180 0.300 . 1 . . . . A 32 GLU N . 36335 1 380 . 1 . 1 33 33 TRP H H 1 8.117 0.030 . 1 . . . . A 33 TRP H . 36335 1 381 . 1 . 1 33 33 TRP HA H 1 4.494 0.030 . 1 . . . . A 33 TRP HA . 36335 1 382 . 1 . 1 33 33 TRP HB2 H 1 2.726 0.030 . 2 . . . . A 33 TRP HB2 . 36335 1 383 . 1 . 1 33 33 TRP HB3 H 1 3.377 0.030 . 2 . . . . A 33 TRP HB3 . 36335 1 384 . 1 . 1 33 33 TRP HD1 H 1 6.727 0.030 . 1 . . . . A 33 TRP HD1 . 36335 1 385 . 1 . 1 33 33 TRP HE1 H 1 10.319 0.030 . 1 . . . . A 33 TRP HE1 . 36335 1 386 . 1 . 1 33 33 TRP HE3 H 1 7.629 0.030 . 1 . . . . A 33 TRP HE3 . 36335 1 387 . 1 . 1 33 33 TRP HZ2 H 1 7.314 0.030 . 1 . . . . A 33 TRP HZ2 . 36335 1 388 . 1 . 1 33 33 TRP HH2 H 1 7.178 0.030 . 1 . . . . A 33 TRP HH2 . 36335 1 389 . 1 . 1 33 33 TRP C C 13 178.906 0.300 . 1 . . . . A 33 TRP C . 36335 1 390 . 1 . 1 33 33 TRP CA C 13 58.741 0.300 . 1 . . . . A 33 TRP CA . 36335 1 391 . 1 . 1 33 33 TRP CB C 13 29.327 0.300 . 1 . . . . A 33 TRP CB . 36335 1 392 . 1 . 1 33 33 TRP CD1 C 13 122.691 0.300 . 1 . . . . A 33 TRP CD1 . 36335 1 393 . 1 . 1 33 33 TRP CE3 C 13 120.155 0.300 . 1 . . . . A 33 TRP CE3 . 36335 1 394 . 1 . 1 33 33 TRP CZ2 C 13 114.990 0.300 . 1 . . . . A 33 TRP CZ2 . 36335 1 395 . 1 . 1 33 33 TRP CH2 C 13 124.511 0.300 . 1 . . . . A 33 TRP CH2 . 36335 1 396 . 1 . 1 33 33 TRP N N 15 119.212 0.300 . 1 . . . . A 33 TRP N . 36335 1 397 . 1 . 1 33 33 TRP NE1 N 15 127.762 0.300 . 1 . . . . A 33 TRP NE1 . 36335 1 398 . 1 . 1 34 34 VAL H H 1 9.125 0.030 . 1 . . . . A 34 VAL H . 36335 1 399 . 1 . 1 34 34 VAL HA H 1 3.975 0.030 . 1 . . . . A 34 VAL HA . 36335 1 400 . 1 . 1 34 34 VAL HB H 1 2.417 0.030 . 1 . . . . A 34 VAL HB . 36335 1 401 . 1 . 1 34 34 VAL HG11 H 1 1.077 0.030 . 2 . . . . A 34 VAL HG11 . 36335 1 402 . 1 . 1 34 34 VAL HG12 H 1 1.077 0.030 . 2 . . . . A 34 VAL HG12 . 36335 1 403 . 1 . 1 34 34 VAL HG13 H 1 1.077 0.030 . 2 . . . . A 34 VAL HG13 . 36335 1 404 . 1 . 1 34 34 VAL HG21 H 1 1.572 0.030 . 2 . . . . A 34 VAL HG21 . 36335 1 405 . 1 . 1 34 34 VAL HG22 H 1 1.572 0.030 . 2 . . . . A 34 VAL HG22 . 36335 1 406 . 1 . 1 34 34 VAL HG23 H 1 1.572 0.030 . 2 . . . . A 34 VAL HG23 . 36335 1 407 . 1 . 1 34 34 VAL C C 13 177.690 0.300 . 1 . . . . A 34 VAL C . 36335 1 408 . 1 . 1 34 34 VAL CA C 13 67.948 0.300 . 1 . . . . A 34 VAL CA . 36335 1 409 . 1 . 1 34 34 VAL CB C 13 32.099 0.300 . 1 . . . . A 34 VAL CB . 36335 1 410 . 1 . 1 34 34 VAL CG1 C 13 23.244 0.300 . 2 . . . . A 34 VAL CG1 . 36335 1 411 . 1 . 1 34 34 VAL CG2 C 13 25.378 0.300 . 2 . . . . A 34 VAL CG2 . 36335 1 412 . 1 . 1 34 34 VAL N N 15 116.518 0.300 . 1 . . . . A 34 VAL N . 36335 1 413 . 1 . 1 35 35 ARG H H 1 7.865 0.030 . 1 . . . . A 35 ARG H . 36335 1 414 . 1 . 1 35 35 ARG HA H 1 3.946 0.030 . 1 . . . . A 35 ARG HA . 36335 1 415 . 1 . 1 35 35 ARG HB2 H 1 1.987 0.030 . 1 . . . . A 35 ARG HB2 . 36335 1 416 . 1 . 1 35 35 ARG HB3 H 1 1.987 0.030 . 1 . . . . A 35 ARG HB3 . 36335 1 417 . 1 . 1 35 35 ARG HG2 H 1 1.657 0.030 . 1 . . . . A 35 ARG HG2 . 36335 1 418 . 1 . 1 35 35 ARG HG3 H 1 1.657 0.030 . 1 . . . . A 35 ARG HG3 . 36335 1 419 . 1 . 1 35 35 ARG HD2 H 1 3.134 0.030 . 2 . . . . A 35 ARG HD2 . 36335 1 420 . 1 . 1 35 35 ARG HD3 H 1 3.188 0.030 . 2 . . . . A 35 ARG HD3 . 36335 1 421 . 1 . 1 35 35 ARG HE H 1 8.043 0.030 . 1 . . . . A 35 ARG HE . 36335 1 422 . 1 . 1 35 35 ARG C C 13 179.544 0.300 . 1 . . . . A 35 ARG C . 36335 1 423 . 1 . 1 35 35 ARG CA C 13 61.209 0.300 . 1 . . . . A 35 ARG CA . 36335 1 424 . 1 . 1 35 35 ARG CB C 13 29.687 0.300 . 1 . . . . A 35 ARG CB . 36335 1 425 . 1 . 1 35 35 ARG CG C 13 27.023 0.300 . 1 . . . . A 35 ARG CG . 36335 1 426 . 1 . 1 35 35 ARG CD C 13 42.956 0.300 . 1 . . . . A 35 ARG CD . 36335 1 427 . 1 . 1 35 35 ARG CZ C 13 160.025 0.300 . 1 . . . . A 35 ARG CZ . 36335 1 428 . 1 . 1 35 35 ARG N N 15 118.627 0.300 . 1 . . . . A 35 ARG N . 36335 1 429 . 1 . 1 35 35 ARG NE N 15 84.444 0.300 . 1 . . . . A 35 ARG NE . 36335 1 430 . 1 . 1 36 36 ASP H H 1 8.646 0.030 . 1 . . . . A 36 ASP H . 36335 1 431 . 1 . 1 36 36 ASP HA H 1 4.466 0.030 . 1 . . . . A 36 ASP HA . 36335 1 432 . 1 . 1 36 36 ASP HB2 H 1 2.791 0.030 . 2 . . . . A 36 ASP HB2 . 36335 1 433 . 1 . 1 36 36 ASP HB3 H 1 2.920 0.030 . 2 . . . . A 36 ASP HB3 . 36335 1 434 . 1 . 1 36 36 ASP C C 13 178.774 0.300 . 1 . . . . A 36 ASP C . 36335 1 435 . 1 . 1 36 36 ASP CA C 13 57.360 0.300 . 1 . . . . A 36 ASP CA . 36335 1 436 . 1 . 1 36 36 ASP CB C 13 40.405 0.300 . 1 . . . . A 36 ASP CB . 36335 1 437 . 1 . 1 36 36 ASP N N 15 120.375 0.300 . 1 . . . . A 36 ASP N . 36335 1 438 . 1 . 1 37 37 ALA H H 1 8.628 0.030 . 1 . . . . A 37 ALA H . 36335 1 439 . 1 . 1 37 37 ALA HA H 1 4.119 0.030 . 1 . . . . A 37 ALA HA . 36335 1 440 . 1 . 1 37 37 ALA HB1 H 1 1.433 0.030 . 1 . . . . A 37 ALA HB1 . 36335 1 441 . 1 . 1 37 37 ALA HB2 H 1 1.433 0.030 . 1 . . . . A 37 ALA HB2 . 36335 1 442 . 1 . 1 37 37 ALA HB3 H 1 1.433 0.030 . 1 . . . . A 37 ALA HB3 . 36335 1 443 . 1 . 1 37 37 ALA C C 13 179.761 0.300 . 1 . . . . A 37 ALA C . 36335 1 444 . 1 . 1 37 37 ALA CA C 13 55.143 0.300 . 1 . . . . A 37 ALA CA . 36335 1 445 . 1 . 1 37 37 ALA CB C 13 19.282 0.300 . 1 . . . . A 37 ALA CB . 36335 1 446 . 1 . 1 37 37 ALA N N 15 122.990 0.300 . 1 . . . . A 37 ALA N . 36335 1 447 . 1 . 1 38 38 ILE H H 1 8.746 0.030 . 1 . . . . A 38 ILE H . 36335 1 448 . 1 . 1 38 38 ILE HA H 1 3.905 0.030 . 1 . . . . A 38 ILE HA . 36335 1 449 . 1 . 1 38 38 ILE HB H 1 2.141 0.030 . 1 . . . . A 38 ILE HB . 36335 1 450 . 1 . 1 38 38 ILE HG12 H 1 1.222 0.030 . 2 . . . . A 38 ILE HG12 . 36335 1 451 . 1 . 1 38 38 ILE HG13 H 1 2.166 0.030 . 2 . . . . A 38 ILE HG13 . 36335 1 452 . 1 . 1 38 38 ILE HG21 H 1 1.006 0.030 . 1 . . . . A 38 ILE HG21 . 36335 1 453 . 1 . 1 38 38 ILE HG22 H 1 1.006 0.030 . 1 . . . . A 38 ILE HG22 . 36335 1 454 . 1 . 1 38 38 ILE HG23 H 1 1.006 0.030 . 1 . . . . A 38 ILE HG23 . 36335 1 455 . 1 . 1 38 38 ILE HD11 H 1 0.798 0.030 . 1 . . . . A 38 ILE HD11 . 36335 1 456 . 1 . 1 38 38 ILE HD12 H 1 0.798 0.030 . 1 . . . . A 38 ILE HD12 . 36335 1 457 . 1 . 1 38 38 ILE HD13 H 1 0.798 0.030 . 1 . . . . A 38 ILE HD13 . 36335 1 458 . 1 . 1 38 38 ILE C C 13 177.123 0.300 . 1 . . . . A 38 ILE C . 36335 1 459 . 1 . 1 38 38 ILE CA C 13 65.913 0.300 . 1 . . . . A 38 ILE CA . 36335 1 460 . 1 . 1 38 38 ILE CB C 13 37.778 0.300 . 1 . . . . A 38 ILE CB . 36335 1 461 . 1 . 1 38 38 ILE CG1 C 13 29.746 0.300 . 1 . . . . A 38 ILE CG1 . 36335 1 462 . 1 . 1 38 38 ILE CG2 C 13 17.858 0.300 . 1 . . . . A 38 ILE CG2 . 36335 1 463 . 1 . 1 38 38 ILE CD1 C 13 14.429 0.300 . 1 . . . . A 38 ILE CD1 . 36335 1 464 . 1 . 1 38 38 ILE N N 15 118.070 0.300 . 1 . . . . A 38 ILE N . 36335 1 465 . 1 . 1 39 39 GLU H H 1 7.643 0.030 . 1 . . . . A 39 GLU H . 36335 1 466 . 1 . 1 39 39 GLU HA H 1 3.900 0.030 . 1 . . . . A 39 GLU HA . 36335 1 467 . 1 . 1 39 39 GLU HB2 H 1 2.278 0.030 . 1 . . . . A 39 GLU HB2 . 36335 1 468 . 1 . 1 39 39 GLU HB3 H 1 2.278 0.030 . 1 . . . . A 39 GLU HB3 . 36335 1 469 . 1 . 1 39 39 GLU C C 13 179.106 0.300 . 1 . . . . A 39 GLU C . 36335 1 470 . 1 . 1 39 39 GLU CA C 13 59.360 0.300 . 1 . . . . A 39 GLU CA . 36335 1 471 . 1 . 1 39 39 GLU CB C 13 29.605 0.300 . 1 . . . . A 39 GLU CB . 36335 1 472 . 1 . 1 39 39 GLU N N 15 118.083 0.300 . 1 . . . . A 39 GLU N . 36335 1 473 . 1 . 1 40 40 GLU H H 1 8.433 0.030 . 1 . . . . A 40 GLU H . 36335 1 474 . 1 . 1 40 40 GLU HA H 1 4.343 0.030 . 1 . . . . A 40 GLU HA . 36335 1 475 . 1 . 1 40 40 GLU HB2 H 1 1.967 0.030 . 1 . . . . A 40 GLU HB2 . 36335 1 476 . 1 . 1 40 40 GLU HB3 H 1 1.967 0.030 . 1 . . . . A 40 GLU HB3 . 36335 1 477 . 1 . 1 40 40 GLU HG2 H 1 2.195 0.030 . 2 . . . . A 40 GLU HG2 . 36335 1 478 . 1 . 1 40 40 GLU HG3 H 1 2.615 0.030 . 2 . . . . A 40 GLU HG3 . 36335 1 479 . 1 . 1 40 40 GLU C C 13 178.475 0.300 . 1 . . . . A 40 GLU C . 36335 1 480 . 1 . 1 40 40 GLU CA C 13 58.582 0.300 . 1 . . . . A 40 GLU CA . 36335 1 481 . 1 . 1 40 40 GLU CB C 13 29.302 0.300 . 1 . . . . A 40 GLU CB . 36335 1 482 . 1 . 1 40 40 GLU CG C 13 34.949 0.300 . 1 . . . . A 40 GLU CG . 36335 1 483 . 1 . 1 40 40 GLU N N 15 119.868 0.300 . 1 . . . . A 40 GLU N . 36335 1 484 . 1 . 1 41 41 ALA H H 1 8.814 0.030 . 1 . . . . A 41 ALA H . 36335 1 485 . 1 . 1 41 41 ALA HA H 1 3.735 0.030 . 1 . . . . A 41 ALA HA . 36335 1 486 . 1 . 1 41 41 ALA HB1 H 1 1.534 0.030 . 1 . . . . A 41 ALA HB1 . 36335 1 487 . 1 . 1 41 41 ALA HB2 H 1 1.534 0.030 . 1 . . . . A 41 ALA HB2 . 36335 1 488 . 1 . 1 41 41 ALA HB3 H 1 1.534 0.030 . 1 . . . . A 41 ALA HB3 . 36335 1 489 . 1 . 1 41 41 ALA C C 13 178.284 0.300 . 1 . . . . A 41 ALA C . 36335 1 490 . 1 . 1 41 41 ALA CA C 13 55.642 0.300 . 1 . . . . A 41 ALA CA . 36335 1 491 . 1 . 1 41 41 ALA CB C 13 17.731 0.300 . 1 . . . . A 41 ALA CB . 36335 1 492 . 1 . 1 41 41 ALA N N 15 121.819 0.300 . 1 . . . . A 41 ALA N . 36335 1 493 . 1 . 1 42 42 ALA H H 1 8.063 0.030 . 1 . . . . A 42 ALA H . 36335 1 494 . 1 . 1 42 42 ALA HA H 1 3.731 0.030 . 1 . . . . A 42 ALA HA . 36335 1 495 . 1 . 1 42 42 ALA HB1 H 1 1.544 0.030 . 1 . . . . A 42 ALA HB1 . 36335 1 496 . 1 . 1 42 42 ALA HB2 H 1 1.544 0.030 . 1 . . . . A 42 ALA HB2 . 36335 1 497 . 1 . 1 42 42 ALA HB3 H 1 1.544 0.030 . 1 . . . . A 42 ALA HB3 . 36335 1 498 . 1 . 1 42 42 ALA C C 13 179.914 0.300 . 1 . . . . A 42 ALA C . 36335 1 499 . 1 . 1 42 42 ALA CA C 13 55.555 0.300 . 1 . . . . A 42 ALA CA . 36335 1 500 . 1 . 1 42 42 ALA CB C 13 17.718 0.300 . 1 . . . . A 42 ALA CB . 36335 1 501 . 1 . 1 42 42 ALA N N 15 117.413 0.300 . 1 . . . . A 42 ALA N . 36335 1 502 . 1 . 1 43 43 ARG H H 1 7.999 0.030 . 1 . . . . A 43 ARG H . 36335 1 503 . 1 . 1 43 43 ARG HA H 1 4.083 0.030 . 1 . . . . A 43 ARG HA . 36335 1 504 . 1 . 1 43 43 ARG HB2 H 1 2.069 0.030 . 1 . . . . A 43 ARG HB2 . 36335 1 505 . 1 . 1 43 43 ARG HB3 H 1 2.069 0.030 . 1 . . . . A 43 ARG HB3 . 36335 1 506 . 1 . 1 43 43 ARG HG2 H 1 1.831 0.030 . 1 . . . . A 43 ARG HG2 . 36335 1 507 . 1 . 1 43 43 ARG HG3 H 1 1.831 0.030 . 1 . . . . A 43 ARG HG3 . 36335 1 508 . 1 . 1 43 43 ARG HD2 H 1 3.261 0.030 . 2 . . . . A 43 ARG HD2 . 36335 1 509 . 1 . 1 43 43 ARG HD3 H 1 3.342 0.030 . 2 . . . . A 43 ARG HD3 . 36335 1 510 . 1 . 1 43 43 ARG HE H 1 7.724 0.030 . 1 . . . . A 43 ARG HE . 36335 1 511 . 1 . 1 43 43 ARG C C 13 179.978 0.300 . 1 . . . . A 43 ARG C . 36335 1 512 . 1 . 1 43 43 ARG CA C 13 59.271 0.300 . 1 . . . . A 43 ARG CA . 36335 1 513 . 1 . 1 43 43 ARG CB C 13 30.448 0.300 . 1 . . . . A 43 ARG CB . 36335 1 514 . 1 . 1 43 43 ARG CG C 13 27.546 0.300 . 1 . . . . A 43 ARG CG . 36335 1 515 . 1 . 1 43 43 ARG CD C 13 43.287 0.300 . 1 . . . . A 43 ARG CD . 36335 1 516 . 1 . 1 43 43 ARG CZ C 13 159.650 0.300 . 1 . . . . A 43 ARG CZ . 36335 1 517 . 1 . 1 43 43 ARG N N 15 117.888 0.300 . 1 . . . . A 43 ARG N . 36335 1 518 . 1 . 1 43 43 ARG NE N 15 83.882 0.300 . 1 . . . . A 43 ARG NE . 36335 1 519 . 1 . 1 44 44 ARG H H 1 8.383 0.030 . 1 . . . . A 44 ARG H . 36335 1 520 . 1 . 1 44 44 ARG HA H 1 4.098 0.030 . 1 . . . . A 44 ARG HA . 36335 1 521 . 1 . 1 44 44 ARG HB2 H 1 2.060 0.030 . 1 . . . . A 44 ARG HB2 . 36335 1 522 . 1 . 1 44 44 ARG HB3 H 1 2.060 0.030 . 1 . . . . A 44 ARG HB3 . 36335 1 523 . 1 . 1 44 44 ARG HG2 H 1 1.666 0.030 . 1 . . . . A 44 ARG HG2 . 36335 1 524 . 1 . 1 44 44 ARG HG3 H 1 1.666 0.030 . 1 . . . . A 44 ARG HG3 . 36335 1 525 . 1 . 1 44 44 ARG HD2 H 1 3.110 0.030 . 2 . . . . A 44 ARG HD2 . 36335 1 526 . 1 . 1 44 44 ARG HD3 H 1 3.345 0.030 . 2 . . . . A 44 ARG HD3 . 36335 1 527 . 1 . 1 44 44 ARG C C 13 178.467 0.300 . 1 . . . . A 44 ARG C . 36335 1 528 . 1 . 1 44 44 ARG CA C 13 59.220 0.300 . 1 . . . . A 44 ARG CA . 36335 1 529 . 1 . 1 44 44 ARG CB C 13 30.494 0.300 . 1 . . . . A 44 ARG CB . 36335 1 530 . 1 . 1 44 44 ARG CG C 13 27.355 0.300 . 1 . . . . A 44 ARG CG . 36335 1 531 . 1 . 1 44 44 ARG CD C 13 43.502 0.300 . 1 . . . . A 44 ARG CD . 36335 1 532 . 1 . 1 44 44 ARG N N 15 118.394 0.300 . 1 . . . . A 44 ARG N . 36335 1 533 . 1 . 1 45 45 VAL H H 1 7.646 0.030 . 1 . . . . A 45 VAL H . 36335 1 534 . 1 . 1 45 45 VAL HA H 1 4.518 0.030 . 1 . . . . A 45 VAL HA . 36335 1 535 . 1 . 1 45 45 VAL HB H 1 2.355 0.030 . 1 . . . . A 45 VAL HB . 36335 1 536 . 1 . 1 45 45 VAL HG11 H 1 1.004 0.030 . 2 . . . . A 45 VAL HG11 . 36335 1 537 . 1 . 1 45 45 VAL HG12 H 1 1.004 0.030 . 2 . . . . A 45 VAL HG12 . 36335 1 538 . 1 . 1 45 45 VAL HG13 H 1 1.004 0.030 . 2 . . . . A 45 VAL HG13 . 36335 1 539 . 1 . 1 45 45 VAL HG21 H 1 0.965 0.030 . 2 . . . . A 45 VAL HG21 . 36335 1 540 . 1 . 1 45 45 VAL HG22 H 1 0.965 0.030 . 2 . . . . A 45 VAL HG22 . 36335 1 541 . 1 . 1 45 45 VAL HG23 H 1 0.965 0.030 . 2 . . . . A 45 VAL HG23 . 36335 1 542 . 1 . 1 45 45 VAL C C 13 176.223 0.300 . 1 . . . . A 45 VAL C . 36335 1 543 . 1 . 1 45 45 VAL CA C 13 60.944 0.300 . 1 . . . . A 45 VAL CA . 36335 1 544 . 1 . 1 45 45 VAL CB C 13 32.723 0.300 . 1 . . . . A 45 VAL CB . 36335 1 545 . 1 . 1 45 45 VAL CG1 C 13 20.257 0.300 . 2 . . . . A 45 VAL CG1 . 36335 1 546 . 1 . 1 45 45 VAL CG2 C 13 21.575 0.300 . 2 . . . . A 45 VAL CG2 . 36335 1 547 . 1 . 1 45 45 VAL N N 15 110.332 0.300 . 1 . . . . A 45 VAL N . 36335 1 548 . 1 . 1 46 46 GLY H H 1 7.988 0.030 . 1 . . . . A 46 GLY H . 36335 1 549 . 1 . 1 46 46 GLY HA2 H 1 3.989 0.030 . 1 . . . . A 46 GLY HA2 . 36335 1 550 . 1 . 1 46 46 GLY HA3 H 1 3.989 0.030 . 1 . . . . A 46 GLY HA3 . 36335 1 551 . 1 . 1 46 46 GLY C C 13 175.257 0.300 . 1 . . . . A 46 GLY C . 36335 1 552 . 1 . 1 46 46 GLY CA C 13 47.156 0.300 . 1 . . . . A 46 GLY CA . 36335 1 553 . 1 . 1 46 46 GLY N N 15 112.524 0.300 . 1 . . . . A 46 GLY N . 36335 1 554 . 1 . 1 47 47 ARG H H 1 7.924 0.030 . 1 . . . . A 47 ARG H . 36335 1 555 . 1 . 1 47 47 ARG HA H 1 4.833 0.030 . 1 . . . . A 47 ARG HA . 36335 1 556 . 1 . 1 47 47 ARG HB2 H 1 1.442 0.030 . 2 . . . . A 47 ARG HB2 . 36335 1 557 . 1 . 1 47 47 ARG HB3 H 1 2.007 0.030 . 2 . . . . A 47 ARG HB3 . 36335 1 558 . 1 . 1 47 47 ARG HG2 H 1 1.433 0.030 . 1 . . . . A 47 ARG HG2 . 36335 1 559 . 1 . 1 47 47 ARG HG3 H 1 1.433 0.030 . 1 . . . . A 47 ARG HG3 . 36335 1 560 . 1 . 1 47 47 ARG HD2 H 1 3.112 0.030 . 2 . . . . A 47 ARG HD2 . 36335 1 561 . 1 . 1 47 47 ARG HD3 H 1 3.338 0.030 . 2 . . . . A 47 ARG HD3 . 36335 1 562 . 1 . 1 47 47 ARG C C 13 174.250 0.300 . 1 . . . . A 47 ARG C . 36335 1 563 . 1 . 1 47 47 ARG CA C 13 52.944 0.300 . 1 . . . . A 47 ARG CA . 36335 1 564 . 1 . 1 47 47 ARG CB C 13 33.717 0.300 . 1 . . . . A 47 ARG CB . 36335 1 565 . 1 . 1 47 47 ARG CG C 13 33.762 0.300 . 1 . . . . A 47 ARG CG . 36335 1 566 . 1 . 1 47 47 ARG CD C 13 43.154 0.300 . 1 . . . . A 47 ARG CD . 36335 1 567 . 1 . 1 47 47 ARG N N 15 117.020 0.300 . 1 . . . . A 47 ARG N . 36335 1 568 . 1 . 1 48 48 SER H H 1 8.167 0.030 . 1 . . . . A 48 SER H . 36335 1 569 . 1 . 1 48 48 SER HA H 1 4.536 0.030 . 1 . . . . A 48 SER HA . 36335 1 570 . 1 . 1 48 48 SER HB2 H 1 4.008 0.030 . 2 . . . . A 48 SER HB2 . 36335 1 571 . 1 . 1 48 48 SER HB3 H 1 4.306 0.030 . 2 . . . . A 48 SER HB3 . 36335 1 572 . 1 . 1 48 48 SER C C 13 175.681 0.300 . 1 . . . . A 48 SER C . 36335 1 573 . 1 . 1 48 48 SER CA C 13 57.536 0.300 . 1 . . . . A 48 SER CA . 36335 1 574 . 1 . 1 48 48 SER CB C 13 64.760 0.300 . 1 . . . . A 48 SER CB . 36335 1 575 . 1 . 1 48 48 SER N N 15 113.740 0.300 . 1 . . . . A 48 SER N . 36335 1 576 . 1 . 1 49 49 ARG H H 1 9.018 0.030 . 1 . . . . A 49 ARG H . 36335 1 577 . 1 . 1 49 49 ARG HA H 1 3.859 0.030 . 1 . . . . A 49 ARG HA . 36335 1 578 . 1 . 1 49 49 ARG HB2 H 1 1.781 0.030 . 1 . . . . A 49 ARG HB2 . 36335 1 579 . 1 . 1 49 49 ARG HB3 H 1 1.781 0.030 . 1 . . . . A 49 ARG HB3 . 36335 1 580 . 1 . 1 49 49 ARG HG2 H 1 1.555 0.030 . 1 . . . . A 49 ARG HG2 . 36335 1 581 . 1 . 1 49 49 ARG HG3 H 1 1.555 0.030 . 1 . . . . A 49 ARG HG3 . 36335 1 582 . 1 . 1 49 49 ARG HD2 H 1 3.370 0.030 . 1 . . . . A 49 ARG HD2 . 36335 1 583 . 1 . 1 49 49 ARG HD3 H 1 3.370 0.030 . 1 . . . . A 49 ARG HD3 . 36335 1 584 . 1 . 1 49 49 ARG HE H 1 7.708 0.030 . 1 . . . . A 49 ARG HE . 36335 1 585 . 1 . 1 49 49 ARG C C 13 178.700 0.300 . 1 . . . . A 49 ARG C . 36335 1 586 . 1 . 1 49 49 ARG CA C 13 60.198 0.300 . 1 . . . . A 49 ARG CA . 36335 1 587 . 1 . 1 49 49 ARG CB C 13 30.166 0.300 . 1 . . . . A 49 ARG CB . 36335 1 588 . 1 . 1 49 49 ARG CG C 13 27.962 0.300 . 1 . . . . A 49 ARG CG . 36335 1 589 . 1 . 1 49 49 ARG CD C 13 43.602 0.300 . 1 . . . . A 49 ARG CD . 36335 1 590 . 1 . 1 49 49 ARG N N 15 121.933 0.300 . 1 . . . . A 49 ARG N . 36335 1 591 . 1 . 1 50 50 SER H H 1 8.382 0.030 . 1 . . . . A 50 SER H . 36335 1 592 . 1 . 1 50 50 SER HA H 1 4.065 0.030 . 1 . . . . A 50 SER HA . 36335 1 593 . 1 . 1 50 50 SER HB2 H 1 3.920 0.030 . 1 . . . . A 50 SER HB2 . 36335 1 594 . 1 . 1 50 50 SER HB3 H 1 3.920 0.030 . 1 . . . . A 50 SER HB3 . 36335 1 595 . 1 . 1 50 50 SER C C 13 176.565 0.300 . 1 . . . . A 50 SER C . 36335 1 596 . 1 . 1 50 50 SER CA C 13 60.315 0.300 . 1 . . . . A 50 SER CA . 36335 1 597 . 1 . 1 50 50 SER CB C 13 62.479 0.300 . 1 . . . . A 50 SER CB . 36335 1 598 . 1 . 1 50 50 SER N N 15 113.129 0.300 . 1 . . . . A 50 SER N . 36335 1 599 . 1 . 1 51 51 ARG H H 1 7.811 0.030 . 1 . . . . A 51 ARG H . 36335 1 600 . 1 . 1 51 51 ARG HA H 1 3.907 0.030 . 1 . . . . A 51 ARG HA . 36335 1 601 . 1 . 1 51 51 ARG HB2 H 1 2.023 0.030 . 1 . . . . A 51 ARG HB2 . 36335 1 602 . 1 . 1 51 51 ARG HB3 H 1 2.023 0.030 . 1 . . . . A 51 ARG HB3 . 36335 1 603 . 1 . 1 51 51 ARG C C 13 178.875 0.300 . 1 . . . . A 51 ARG C . 36335 1 604 . 1 . 1 51 51 ARG CA C 13 57.871 0.300 . 1 . . . . A 51 ARG CA . 36335 1 605 . 1 . 1 51 51 ARG CB C 13 29.512 0.300 . 1 . . . . A 51 ARG CB . 36335 1 606 . 1 . 1 51 51 ARG CG C 13 29.467 0.300 . 1 . . . . A 51 ARG CG . 36335 1 607 . 1 . 1 51 51 ARG CD C 13 43.897 0.300 . 1 . . . . A 51 ARG CD . 36335 1 608 . 1 . 1 51 51 ARG N N 15 121.812 0.300 . 1 . . . . A 51 ARG N . 36335 1 609 . 1 . 1 52 52 VAL H H 1 7.486 0.030 . 1 . . . . A 52 VAL H . 36335 1 610 . 1 . 1 52 52 VAL HA H 1 3.611 0.030 . 1 . . . . A 52 VAL HA . 36335 1 611 . 1 . 1 52 52 VAL HB H 1 2.429 0.030 . 1 . . . . A 52 VAL HB . 36335 1 612 . 1 . 1 52 52 VAL HG11 H 1 1.029 0.030 . 1 . . . . A 52 VAL HG11 . 36335 1 613 . 1 . 1 52 52 VAL HG12 H 1 1.029 0.030 . 1 . . . . A 52 VAL HG12 . 36335 1 614 . 1 . 1 52 52 VAL HG13 H 1 1.029 0.030 . 1 . . . . A 52 VAL HG13 . 36335 1 615 . 1 . 1 52 52 VAL HG21 H 1 1.081 0.030 . 1 . . . . A 52 VAL HG21 . 36335 1 616 . 1 . 1 52 52 VAL HG22 H 1 1.081 0.030 . 1 . . . . A 52 VAL HG22 . 36335 1 617 . 1 . 1 52 52 VAL HG23 H 1 1.081 0.030 . 1 . . . . A 52 VAL HG23 . 36335 1 618 . 1 . 1 52 52 VAL C C 13 176.972 0.300 . 1 . . . . A 52 VAL C . 36335 1 619 . 1 . 1 52 52 VAL CA C 13 66.838 0.300 . 1 . . . . A 52 VAL CA . 36335 1 620 . 1 . 1 52 52 VAL CB C 13 31.575 0.300 . 1 . . . . A 52 VAL CB . 36335 1 621 . 1 . 1 52 52 VAL CG1 C 13 21.707 0.300 . 1 . . . . A 52 VAL CG1 . 36335 1 622 . 1 . 1 52 52 VAL CG2 C 13 21.707 0.300 . 1 . . . . A 52 VAL CG2 . 36335 1 623 . 1 . 1 52 52 VAL N N 15 119.678 0.300 . 1 . . . . A 52 VAL N . 36335 1 624 . 1 . 1 53 53 VAL H H 1 7.822 0.030 . 1 . . . . A 53 VAL H . 36335 1 625 . 1 . 1 53 53 VAL HA H 1 3.378 0.030 . 1 . . . . A 53 VAL HA . 36335 1 626 . 1 . 1 53 53 VAL HB H 1 2.138 0.030 . 1 . . . . A 53 VAL HB . 36335 1 627 . 1 . 1 53 53 VAL HG11 H 1 0.927 0.030 . 2 . . . . A 53 VAL HG11 . 36335 1 628 . 1 . 1 53 53 VAL HG12 H 1 0.927 0.030 . 2 . . . . A 53 VAL HG12 . 36335 1 629 . 1 . 1 53 53 VAL HG13 H 1 0.927 0.030 . 2 . . . . A 53 VAL HG13 . 36335 1 630 . 1 . 1 53 53 VAL HG21 H 1 1.032 0.030 . 2 . . . . A 53 VAL HG21 . 36335 1 631 . 1 . 1 53 53 VAL HG22 H 1 1.032 0.030 . 2 . . . . A 53 VAL HG22 . 36335 1 632 . 1 . 1 53 53 VAL HG23 H 1 1.032 0.030 . 2 . . . . A 53 VAL HG23 . 36335 1 633 . 1 . 1 53 53 VAL C C 13 177.351 0.300 . 1 . . . . A 53 VAL C . 36335 1 634 . 1 . 1 53 53 VAL CA C 13 67.289 0.300 . 1 . . . . A 53 VAL CA . 36335 1 635 . 1 . 1 53 53 VAL CB C 13 31.557 0.300 . 1 . . . . A 53 VAL CB . 36335 1 636 . 1 . 1 53 53 VAL CG1 C 13 22.121 0.300 . 2 . . . . A 53 VAL CG1 . 36335 1 637 . 1 . 1 53 53 VAL CG2 C 13 23.224 0.300 . 2 . . . . A 53 VAL CG2 . 36335 1 638 . 1 . 1 53 53 VAL N N 15 117.569 0.300 . 1 . . . . A 53 VAL N . 36335 1 639 . 1 . 1 54 54 GLU H H 1 8.213 0.030 . 1 . . . . A 54 GLU H . 36335 1 640 . 1 . 1 54 54 GLU HA H 1 4.081 0.030 . 1 . . . . A 54 GLU HA . 36335 1 641 . 1 . 1 54 54 GLU HG2 H 1 2.601 0.030 . 1 . . . . A 54 GLU HG2 . 36335 1 642 . 1 . 1 54 54 GLU HG3 H 1 2.601 0.030 . 1 . . . . A 54 GLU HG3 . 36335 1 643 . 1 . 1 54 54 GLU C C 13 178.093 0.300 . 1 . . . . A 54 GLU C . 36335 1 644 . 1 . 1 54 54 GLU CA C 13 58.977 0.300 . 1 . . . . A 54 GLU CA . 36335 1 645 . 1 . 1 54 54 GLU CB C 13 29.489 0.300 . 1 . . . . A 54 GLU CB . 36335 1 646 . 1 . 1 54 54 GLU CG C 13 33.902 0.300 . 1 . . . . A 54 GLU CG . 36335 1 647 . 1 . 1 54 54 GLU N N 15 119.028 0.300 . 1 . . . . A 54 GLU N . 36335 1 648 . 1 . 1 55 55 ALA H H 1 7.746 0.030 . 1 . . . . A 55 ALA H . 36335 1 649 . 1 . 1 55 55 ALA HA H 1 4.107 0.030 . 1 . . . . A 55 ALA HA . 36335 1 650 . 1 . 1 55 55 ALA HB1 H 1 1.689 0.030 . 1 . . . . A 55 ALA HB1 . 36335 1 651 . 1 . 1 55 55 ALA HB2 H 1 1.689 0.030 . 1 . . . . A 55 ALA HB2 . 36335 1 652 . 1 . 1 55 55 ALA HB3 H 1 1.689 0.030 . 1 . . . . A 55 ALA HB3 . 36335 1 653 . 1 . 1 55 55 ALA C C 13 178.989 0.300 . 1 . . . . A 55 ALA C . 36335 1 654 . 1 . 1 55 55 ALA CA C 13 55.493 0.300 . 1 . . . . A 55 ALA CA . 36335 1 655 . 1 . 1 55 55 ALA CB C 13 19.341 0.300 . 1 . . . . A 55 ALA CB . 36335 1 656 . 1 . 1 55 55 ALA N N 15 121.457 0.300 . 1 . . . . A 55 ALA N . 36335 1 657 . 1 . 1 56 56 LEU H H 1 7.685 0.030 . 1 . . . . A 56 LEU H . 36335 1 658 . 1 . 1 56 56 LEU HA H 1 3.789 0.030 . 1 . . . . A 56 LEU HA . 36335 1 659 . 1 . 1 56 56 LEU HB2 H 1 1.062 0.030 . 2 . . . . A 56 LEU HB2 . 36335 1 660 . 1 . 1 56 56 LEU HB3 H 1 1.919 0.030 . 2 . . . . A 56 LEU HB3 . 36335 1 661 . 1 . 1 56 56 LEU HG H 1 1.701 0.030 . 1 . . . . A 56 LEU HG . 36335 1 662 . 1 . 1 56 56 LEU HD11 H 1 0.065 0.030 . 2 . . . . A 56 LEU HD11 . 36335 1 663 . 1 . 1 56 56 LEU HD12 H 1 0.065 0.030 . 2 . . . . A 56 LEU HD12 . 36335 1 664 . 1 . 1 56 56 LEU HD13 H 1 0.065 0.030 . 2 . . . . A 56 LEU HD13 . 36335 1 665 . 1 . 1 56 56 LEU HD21 H 1 0.352 0.030 . 2 . . . . A 56 LEU HD21 . 36335 1 666 . 1 . 1 56 56 LEU HD22 H 1 0.352 0.030 . 2 . . . . A 56 LEU HD22 . 36335 1 667 . 1 . 1 56 56 LEU HD23 H 1 0.352 0.030 . 2 . . . . A 56 LEU HD23 . 36335 1 668 . 1 . 1 56 56 LEU CA C 13 58.483 0.300 . 1 . . . . A 56 LEU CA . 36335 1 669 . 1 . 1 56 56 LEU CB C 13 41.219 0.300 . 1 . . . . A 56 LEU CB . 36335 1 670 . 1 . 1 56 56 LEU CG C 13 26.406 0.300 . 1 . . . . A 56 LEU CG . 36335 1 671 . 1 . 1 56 56 LEU CD1 C 13 24.726 0.300 . 2 . . . . A 56 LEU CD1 . 36335 1 672 . 1 . 1 56 56 LEU CD2 C 13 23.229 0.300 . 2 . . . . A 56 LEU CD2 . 36335 1 673 . 1 . 1 56 56 LEU N N 15 116.921 0.300 . 1 . . . . A 56 LEU N . 36335 1 674 . 1 . 1 57 57 ARG H H 1 8.111 0.030 . 1 . . . . A 57 ARG H . 36335 1 675 . 1 . 1 57 57 ARG HA H 1 4.104 0.030 . 1 . . . . A 57 ARG HA . 36335 1 676 . 1 . 1 57 57 ARG HB2 H 1 2.012 0.030 . 1 . . . . A 57 ARG HB2 . 36335 1 677 . 1 . 1 57 57 ARG HB3 H 1 2.012 0.030 . 1 . . . . A 57 ARG HB3 . 36335 1 678 . 1 . 1 57 57 ARG HG2 H 1 2.024 0.030 . 1 . . . . A 57 ARG HG2 . 36335 1 679 . 1 . 1 57 57 ARG HG3 H 1 2.024 0.030 . 1 . . . . A 57 ARG HG3 . 36335 1 680 . 1 . 1 57 57 ARG HD2 H 1 3.112 0.030 . 2 . . . . A 57 ARG HD2 . 36335 1 681 . 1 . 1 57 57 ARG HD3 H 1 3.274 0.030 . 2 . . . . A 57 ARG HD3 . 36335 1 682 . 1 . 1 57 57 ARG HE H 1 7.936 0.030 . 1 . . . . A 57 ARG HE . 36335 1 683 . 1 . 1 57 57 ARG C C 13 179.559 0.300 . 1 . . . . A 57 ARG C . 36335 1 684 . 1 . 1 57 57 ARG CA C 13 59.125 0.300 . 1 . . . . A 57 ARG CA . 36335 1 685 . 1 . 1 57 57 ARG CB C 13 29.571 0.300 . 1 . . . . A 57 ARG CB . 36335 1 686 . 1 . 1 57 57 ARG CG C 13 27.897 0.300 . 1 . . . . A 57 ARG CG . 36335 1 687 . 1 . 1 57 57 ARG CD C 13 43.411 0.300 . 1 . . . . A 57 ARG CD . 36335 1 688 . 1 . 1 57 57 ARG CZ C 13 160.193 0.300 . 1 . . . . A 57 ARG CZ . 36335 1 689 . 1 . 1 57 57 ARG N N 15 119.097 0.300 . 1 . . . . A 57 ARG N . 36335 1 690 . 1 . 1 57 57 ARG NE N 15 84.069 0.300 . 1 . . . . A 57 ARG NE . 36335 1 691 . 1 . 1 58 58 ARG H H 1 8.969 0.030 . 1 . . . . A 58 ARG H . 36335 1 692 . 1 . 1 58 58 ARG HA H 1 4.085 0.030 . 1 . . . . A 58 ARG HA . 36335 1 693 . 1 . 1 58 58 ARG HG2 H 1 2.163 0.030 . 1 . . . . A 58 ARG HG2 . 36335 1 694 . 1 . 1 58 58 ARG HG3 H 1 2.163 0.030 . 1 . . . . A 58 ARG HG3 . 36335 1 695 . 1 . 1 58 58 ARG HD2 H 1 3.184 0.030 . 1 . . . . A 58 ARG HD2 . 36335 1 696 . 1 . 1 58 58 ARG HD3 H 1 3.184 0.030 . 1 . . . . A 58 ARG HD3 . 36335 1 697 . 1 . 1 58 58 ARG HE H 1 7.478 0.030 . 1 . . . . A 58 ARG HE . 36335 1 698 . 1 . 1 58 58 ARG C C 13 179.196 0.300 . 1 . . . . A 58 ARG C . 36335 1 699 . 1 . 1 58 58 ARG CA C 13 58.624 0.300 . 1 . . . . A 58 ARG CA . 36335 1 700 . 1 . 1 58 58 ARG CB C 13 29.870 0.300 . 1 . . . . A 58 ARG CB . 36335 1 701 . 1 . 1 58 58 ARG CG C 13 27.012 0.300 . 1 . . . . A 58 ARG CG . 36335 1 702 . 1 . 1 58 58 ARG CD C 13 42.947 0.300 . 1 . . . . A 58 ARG CD . 36335 1 703 . 1 . 1 58 58 ARG CZ C 13 159.682 0.300 . 1 . . . . A 58 ARG CZ . 36335 1 704 . 1 . 1 58 58 ARG N N 15 119.656 0.300 . 1 . . . . A 58 ARG N . 36335 1 705 . 1 . 1 58 58 ARG NE N 15 84.444 0.300 . 1 . . . . A 58 ARG NE . 36335 1 706 . 1 . 1 59 59 TYR H H 1 8.811 0.030 . 1 . . . . A 59 TYR H . 36335 1 707 . 1 . 1 59 59 TYR HA H 1 4.010 0.030 . 1 . . . . A 59 TYR HA . 36335 1 708 . 1 . 1 59 59 TYR HB2 H 1 3.117 0.030 . 2 . . . . A 59 TYR HB2 . 36335 1 709 . 1 . 1 59 59 TYR HB3 H 1 3.203 0.030 . 2 . . . . A 59 TYR HB3 . 36335 1 710 . 1 . 1 59 59 TYR HD1 H 1 6.921 0.030 . 1 . . . . A 59 TYR HD1 . 36335 1 711 . 1 . 1 59 59 TYR HD2 H 1 6.921 0.030 . 1 . . . . A 59 TYR HD2 . 36335 1 712 . 1 . 1 59 59 TYR HE1 H 1 6.557 0.030 . 1 . . . . A 59 TYR HE1 . 36335 1 713 . 1 . 1 59 59 TYR HE2 H 1 6.557 0.030 . 1 . . . . A 59 TYR HE2 . 36335 1 714 . 1 . 1 59 59 TYR HH H 1 8.557 0.030 . 1 . . . . A 59 TYR HH . 36335 1 715 . 1 . 1 59 59 TYR C C 13 178.473 0.300 . 1 . . . . A 59 TYR C . 36335 1 716 . 1 . 1 59 59 TYR CA C 13 62.920 0.300 . 1 . . . . A 59 TYR CA . 36335 1 717 . 1 . 1 59 59 TYR CB C 13 38.809 0.300 . 1 . . . . A 59 TYR CB . 36335 1 718 . 1 . 1 59 59 TYR CD1 C 13 133.457 0.300 . 1 . . . . A 59 TYR CD1 . 36335 1 719 . 1 . 1 59 59 TYR CD2 C 13 133.457 0.300 . 1 . . . . A 59 TYR CD2 . 36335 1 720 . 1 . 1 59 59 TYR CE1 C 13 118.239 0.300 . 1 . . . . A 59 TYR CE1 . 36335 1 721 . 1 . 1 59 59 TYR CE2 C 13 118.239 0.300 . 1 . . . . A 59 TYR CE2 . 36335 1 722 . 1 . 1 59 59 TYR N N 15 122.232 0.300 . 1 . . . . A 59 TYR N . 36335 1 723 . 1 . 1 60 60 ALA H H 1 8.024 0.030 . 1 . . . . A 60 ALA H . 36335 1 724 . 1 . 1 60 60 ALA HA H 1 4.020 0.030 . 1 . . . . A 60 ALA HA . 36335 1 725 . 1 . 1 60 60 ALA HB1 H 1 1.535 0.030 . 1 . . . . A 60 ALA HB1 . 36335 1 726 . 1 . 1 60 60 ALA HB2 H 1 1.535 0.030 . 1 . . . . A 60 ALA HB2 . 36335 1 727 . 1 . 1 60 60 ALA HB3 H 1 1.535 0.030 . 1 . . . . A 60 ALA HB3 . 36335 1 728 . 1 . 1 60 60 ALA C C 13 180.495 0.300 . 1 . . . . A 60 ALA C . 36335 1 729 . 1 . 1 60 60 ALA CA C 13 54.272 0.300 . 1 . . . . A 60 ALA CA . 36335 1 730 . 1 . 1 60 60 ALA CB C 13 18.040 0.300 . 1 . . . . A 60 ALA CB . 36335 1 731 . 1 . 1 60 60 ALA N N 15 120.109 0.300 . 1 . . . . A 60 ALA N . 36335 1 732 . 1 . 1 61 61 GLU H H 1 8.394 0.030 . 1 . . . . A 61 GLU H . 36335 1 733 . 1 . 1 61 61 GLU HB2 H 1 2.161 0.030 . 1 . . . . A 61 GLU HB2 . 36335 1 734 . 1 . 1 61 61 GLU HB3 H 1 2.161 0.030 . 1 . . . . A 61 GLU HB3 . 36335 1 735 . 1 . 1 61 61 GLU HG2 H 1 2.150 0.030 . 1 . . . . A 61 GLU HG2 . 36335 1 736 . 1 . 1 61 61 GLU HG3 H 1 2.150 0.030 . 1 . . . . A 61 GLU HG3 . 36335 1 737 . 1 . 1 61 61 GLU C C 13 178.186 0.300 . 1 . . . . A 61 GLU C . 36335 1 738 . 1 . 1 61 61 GLU CA C 13 59.376 0.300 . 1 . . . . A 61 GLU CA . 36335 1 739 . 1 . 1 61 61 GLU CB C 13 29.654 0.300 . 1 . . . . A 61 GLU CB . 36335 1 740 . 1 . 1 61 61 GLU N N 15 119.596 0.300 . 1 . . . . A 61 GLU N . 36335 1 741 . 1 . 1 62 62 LYS H H 1 7.818 0.030 . 1 . . . . A 62 LYS H . 36335 1 742 . 1 . 1 62 62 LYS HA H 1 4.049 0.030 . 1 . . . . A 62 LYS HA . 36335 1 743 . 1 . 1 62 62 LYS HB2 H 1 1.275 0.030 . 2 . . . . A 62 LYS HB2 . 36335 1 744 . 1 . 1 62 62 LYS HB3 H 1 1.577 0.030 . 2 . . . . A 62 LYS HB3 . 36335 1 745 . 1 . 1 62 62 LYS HG2 H 1 1.543 0.030 . 1 . . . . A 62 LYS HG2 . 36335 1 746 . 1 . 1 62 62 LYS HG3 H 1 1.543 0.030 . 1 . . . . A 62 LYS HG3 . 36335 1 747 . 1 . 1 62 62 LYS HD2 H 1 1.519 0.030 . 1 . . . . A 62 LYS HD2 . 36335 1 748 . 1 . 1 62 62 LYS HD3 H 1 1.519 0.030 . 1 . . . . A 62 LYS HD3 . 36335 1 749 . 1 . 1 62 62 LYS HE2 H 1 2.833 0.030 . 1 . . . . A 62 LYS HE2 . 36335 1 750 . 1 . 1 62 62 LYS HE3 H 1 2.833 0.030 . 1 . . . . A 62 LYS HE3 . 36335 1 751 . 1 . 1 62 62 LYS C C 13 177.745 0.300 . 1 . . . . A 62 LYS C . 36335 1 752 . 1 . 1 62 62 LYS CA C 13 57.974 0.300 . 1 . . . . A 62 LYS CA . 36335 1 753 . 1 . 1 62 62 LYS CB C 13 33.284 0.300 . 1 . . . . A 62 LYS CB . 36335 1 754 . 1 . 1 62 62 LYS CD C 13 28.740 0.300 . 1 . . . . A 62 LYS CD . 36335 1 755 . 1 . 1 62 62 LYS CE C 13 41.956 0.300 . 1 . . . . A 62 LYS CE . 36335 1 756 . 1 . 1 62 62 LYS N N 15 116.887 0.300 . 1 . . . . A 62 LYS N . 36335 1 757 . 1 . 1 63 63 HIS H H 1 8.204 0.030 . 1 . . . . A 63 HIS H . 36335 1 758 . 1 . 1 63 63 HIS HA H 1 4.661 0.030 . 1 . . . . A 63 HIS HA . 36335 1 759 . 1 . 1 63 63 HIS HB2 H 1 2.560 0.030 . 2 . . . . A 63 HIS HB2 . 36335 1 760 . 1 . 1 63 63 HIS HB3 H 1 3.141 0.030 . 2 . . . . A 63 HIS HB3 . 36335 1 761 . 1 . 1 63 63 HIS HD2 H 1 5.670 0.030 . 1 . . . . A 63 HIS HD2 . 36335 1 762 . 1 . 1 63 63 HIS HE1 H 1 8.211 0.030 . 1 . . . . A 63 HIS HE1 . 36335 1 763 . 1 . 1 63 63 HIS C C 13 175.132 0.300 . 1 . . . . A 63 HIS C . 36335 1 764 . 1 . 1 63 63 HIS CA C 13 55.697 0.300 . 1 . . . . A 63 HIS CA . 36335 1 765 . 1 . 1 63 63 HIS CB C 13 30.361 0.300 . 1 . . . . A 63 HIS CB . 36335 1 766 . 1 . 1 63 63 HIS CD2 C 13 120.682 0.300 . 1 . . . . A 63 HIS CD2 . 36335 1 767 . 1 . 1 63 63 HIS CE1 C 13 137.486 0.300 . 1 . . . . A 63 HIS CE1 . 36335 1 768 . 1 . 1 63 63 HIS N N 15 112.728 0.300 . 1 . . . . A 63 HIS N . 36335 1 769 . 1 . 1 64 64 GLY H H 1 7.905 0.030 . 1 . . . . A 64 GLY H . 36335 1 770 . 1 . 1 64 64 GLY HA2 H 1 3.971 0.030 . 2 . . . . A 64 GLY HA2 . 36335 1 771 . 1 . 1 64 64 GLY HA3 H 1 4.686 0.030 . 2 . . . . A 64 GLY HA3 . 36335 1 772 . 1 . 1 64 64 GLY C C 13 174.628 0.300 . 1 . . . . A 64 GLY C . 36335 1 773 . 1 . 1 64 64 GLY CA C 13 44.531 0.300 . 1 . . . . A 64 GLY CA . 36335 1 774 . 1 . 1 64 64 GLY N N 15 110.513 0.300 . 1 . . . . A 64 GLY N . 36335 1 775 . 1 . 1 65 65 LYS H H 1 8.689 0.030 . 1 . . . . A 65 LYS H . 36335 1 776 . 1 . 1 65 65 LYS HA H 1 3.873 0.030 . 1 . . . . A 65 LYS HA . 36335 1 777 . 1 . 1 65 65 LYS HB2 H 1 1.834 0.030 . 2 . . . . A 65 LYS HB2 . 36335 1 778 . 1 . 1 65 65 LYS HB3 H 1 1.925 0.030 . 2 . . . . A 65 LYS HB3 . 36335 1 779 . 1 . 1 65 65 LYS HG2 H 1 1.407 0.030 . 2 . . . . A 65 LYS HG2 . 36335 1 780 . 1 . 1 65 65 LYS HG3 H 1 1.582 0.030 . 2 . . . . A 65 LYS HG3 . 36335 1 781 . 1 . 1 65 65 LYS HD2 H 1 1.742 0.030 . 1 . . . . A 65 LYS HD2 . 36335 1 782 . 1 . 1 65 65 LYS HD3 H 1 1.742 0.030 . 1 . . . . A 65 LYS HD3 . 36335 1 783 . 1 . 1 65 65 LYS C C 13 178.076 0.300 . 1 . . . . A 65 LYS C . 36335 1 784 . 1 . 1 65 65 LYS CA C 13 60.394 0.300 . 1 . . . . A 65 LYS CA . 36335 1 785 . 1 . 1 65 65 LYS CB C 13 32.552 0.300 . 1 . . . . A 65 LYS CB . 36335 1 786 . 1 . 1 65 65 LYS CG C 13 25.569 0.300 . 1 . . . . A 65 LYS CG . 36335 1 787 . 1 . 1 65 65 LYS CD C 13 29.498 0.300 . 1 . . . . A 65 LYS CD . 36335 1 788 . 1 . 1 65 65 LYS N N 15 121.679 0.300 . 1 . . . . A 65 LYS N . 36335 1 789 . 1 . 1 66 66 GLU H H 1 8.938 0.030 . 1 . . . . A 66 GLU H . 36335 1 790 . 1 . 1 66 66 GLU HA H 1 3.992 0.030 . 1 . . . . A 66 GLU HA . 36335 1 791 . 1 . 1 66 66 GLU HB2 H 1 2.149 0.030 . 1 . . . . A 66 GLU HB2 . 36335 1 792 . 1 . 1 66 66 GLU HB3 H 1 2.149 0.030 . 1 . . . . A 66 GLU HB3 . 36335 1 793 . 1 . 1 66 66 GLU C C 13 177.694 0.300 . 1 . . . . A 66 GLU C . 36335 1 794 . 1 . 1 66 66 GLU CA C 13 60.267 0.300 . 1 . . . . A 66 GLU CA . 36335 1 795 . 1 . 1 66 66 GLU CB C 13 28.550 0.300 . 1 . . . . A 66 GLU CB . 36335 1 796 . 1 . 1 66 66 GLU CG C 13 36.740 0.300 . 1 . . . . A 66 GLU CG . 36335 1 797 . 1 . 1 66 66 GLU N N 15 117.953 0.300 . 1 . . . . A 66 GLU N . 36335 1 798 . 1 . 1 67 67 GLU H H 1 7.905 0.030 . 1 . . . . A 67 GLU H . 36335 1 799 . 1 . 1 67 67 GLU HA H 1 4.259 0.030 . 1 . . . . A 67 GLU HA . 36335 1 800 . 1 . 1 67 67 GLU HB2 H 1 2.085 0.030 . 1 . . . . A 67 GLU HB2 . 36335 1 801 . 1 . 1 67 67 GLU HB3 H 1 2.085 0.030 . 1 . . . . A 67 GLU HB3 . 36335 1 802 . 1 . 1 67 67 GLU HG2 H 1 2.532 0.030 . 1 . . . . A 67 GLU HG2 . 36335 1 803 . 1 . 1 67 67 GLU HG3 H 1 2.532 0.030 . 1 . . . . A 67 GLU HG3 . 36335 1 804 . 1 . 1 67 67 GLU C C 13 179.146 0.300 . 1 . . . . A 67 GLU C . 36335 1 805 . 1 . 1 67 67 GLU CA C 13 58.662 0.300 . 1 . . . . A 67 GLU CA . 36335 1 806 . 1 . 1 67 67 GLU CB C 13 29.376 0.300 . 1 . . . . A 67 GLU CB . 36335 1 807 . 1 . 1 67 67 GLU N N 15 119.178 0.300 . 1 . . . . A 67 GLU N . 36335 1 808 . 1 . 1 68 68 LEU H H 1 7.723 0.030 . 1 . . . . A 68 LEU H . 36335 1 809 . 1 . 1 68 68 LEU HA H 1 4.217 0.030 . 1 . . . . A 68 LEU HA . 36335 1 810 . 1 . 1 68 68 LEU HB2 H 1 1.546 0.030 . 2 . . . . A 68 LEU HB2 . 36335 1 811 . 1 . 1 68 68 LEU HB3 H 1 2.241 0.030 . 2 . . . . A 68 LEU HB3 . 36335 1 812 . 1 . 1 68 68 LEU HD11 H 1 0.891 0.030 . 1 . . . . A 68 LEU HD11 . 36335 1 813 . 1 . 1 68 68 LEU HD12 H 1 0.891 0.030 . 1 . . . . A 68 LEU HD12 . 36335 1 814 . 1 . 1 68 68 LEU HD13 H 1 0.891 0.030 . 1 . . . . A 68 LEU HD13 . 36335 1 815 . 1 . 1 68 68 LEU C C 13 177.521 0.300 . 1 . . . . A 68 LEU C . 36335 1 816 . 1 . 1 68 68 LEU CA C 13 58.625 0.300 . 1 . . . . A 68 LEU CA . 36335 1 817 . 1 . 1 68 68 LEU CB C 13 40.822 0.300 . 1 . . . . A 68 LEU CB . 36335 1 818 . 1 . 1 68 68 LEU CD1 C 13 23.535 0.300 . 1 . . . . A 68 LEU CD1 . 36335 1 819 . 1 . 1 68 68 LEU CD2 C 13 23.535 0.300 . 1 . . . . A 68 LEU CD2 . 36335 1 820 . 1 . 1 68 68 LEU N N 15 120.376 0.300 . 1 . . . . A 68 LEU N . 36335 1 821 . 1 . 1 69 69 LEU H H 1 8.198 0.030 . 1 . . . . A 69 LEU H . 36335 1 822 . 1 . 1 69 69 LEU HA H 1 3.771 0.030 . 1 . . . . A 69 LEU HA . 36335 1 823 . 1 . 1 69 69 LEU HB2 H 1 1.652 0.030 . 2 . . . . A 69 LEU HB2 . 36335 1 824 . 1 . 1 69 69 LEU HB3 H 1 1.980 0.030 . 2 . . . . A 69 LEU HB3 . 36335 1 825 . 1 . 1 69 69 LEU HG H 1 1.929 0.030 . 1 . . . . A 69 LEU HG . 36335 1 826 . 1 . 1 69 69 LEU HD11 H 1 0.672 0.030 . 2 . . . . A 69 LEU HD11 . 36335 1 827 . 1 . 1 69 69 LEU HD12 H 1 0.672 0.030 . 2 . . . . A 69 LEU HD12 . 36335 1 828 . 1 . 1 69 69 LEU HD13 H 1 0.672 0.030 . 2 . . . . A 69 LEU HD13 . 36335 1 829 . 1 . 1 69 69 LEU HD21 H 1 0.891 0.030 . 2 . . . . A 69 LEU HD21 . 36335 1 830 . 1 . 1 69 69 LEU HD22 H 1 0.891 0.030 . 2 . . . . A 69 LEU HD22 . 36335 1 831 . 1 . 1 69 69 LEU HD23 H 1 0.891 0.030 . 2 . . . . A 69 LEU HD23 . 36335 1 832 . 1 . 1 69 69 LEU C C 13 179.290 0.300 . 1 . . . . A 69 LEU C . 36335 1 833 . 1 . 1 69 69 LEU CA C 13 58.679 0.300 . 1 . . . . A 69 LEU CA . 36335 1 834 . 1 . 1 69 69 LEU CB C 13 40.847 0.300 . 1 . . . . A 69 LEU CB . 36335 1 835 . 1 . 1 69 69 LEU CG C 13 26.590 0.300 . 1 . . . . A 69 LEU CG . 36335 1 836 . 1 . 1 69 69 LEU CD1 C 13 24.410 0.300 . 2 . . . . A 69 LEU CD1 . 36335 1 837 . 1 . 1 69 69 LEU CD2 C 13 26.080 0.300 . 2 . . . . A 69 LEU CD2 . 36335 1 838 . 1 . 1 69 69 LEU N N 15 117.551 0.300 . 1 . . . . A 69 LEU N . 36335 1 839 . 1 . 1 70 70 LYS H H 1 7.561 0.030 . 1 . . . . A 70 LYS H . 36335 1 840 . 1 . 1 70 70 LYS HA H 1 4.086 0.030 . 1 . . . . A 70 LYS HA . 36335 1 841 . 1 . 1 70 70 LYS HB2 H 1 1.937 0.030 . 1 . . . . A 70 LYS HB2 . 36335 1 842 . 1 . 1 70 70 LYS HB3 H 1 1.937 0.030 . 1 . . . . A 70 LYS HB3 . 36335 1 843 . 1 . 1 70 70 LYS HG2 H 1 1.459 0.030 . 1 . . . . A 70 LYS HG2 . 36335 1 844 . 1 . 1 70 70 LYS HG3 H 1 1.459 0.030 . 1 . . . . A 70 LYS HG3 . 36335 1 845 . 1 . 1 70 70 LYS HD2 H 1 1.932 0.030 . 1 . . . . A 70 LYS HD2 . 36335 1 846 . 1 . 1 70 70 LYS HD3 H 1 1.932 0.030 . 1 . . . . A 70 LYS HD3 . 36335 1 847 . 1 . 1 70 70 LYS HE2 H 1 2.980 0.030 . 2 . . . . A 70 LYS HE2 . 36335 1 848 . 1 . 1 70 70 LYS HE3 H 1 3.006 0.030 . 2 . . . . A 70 LYS HE3 . 36335 1 849 . 1 . 1 70 70 LYS C C 13 179.156 0.300 . 1 . . . . A 70 LYS C . 36335 1 850 . 1 . 1 70 70 LYS CA C 13 58.958 0.300 . 1 . . . . A 70 LYS CA . 36335 1 851 . 1 . 1 70 70 LYS CB C 13 33.073 0.300 . 1 . . . . A 70 LYS CB . 36335 1 852 . 1 . 1 70 70 LYS CG C 13 24.963 0.300 . 1 . . . . A 70 LYS CG . 36335 1 853 . 1 . 1 70 70 LYS CD C 13 33.090 0.300 . 1 . . . . A 70 LYS CD . 36335 1 854 . 1 . 1 70 70 LYS CE C 13 42.097 0.300 . 1 . . . . A 70 LYS CE . 36335 1 855 . 1 . 1 70 70 LYS N N 15 116.302 0.300 . 1 . . . . A 70 LYS N . 36335 1 856 . 1 . 1 71 71 ARG H H 1 8.599 0.030 . 1 . . . . A 71 ARG H . 36335 1 857 . 1 . 1 71 71 ARG HA H 1 4.107 0.030 . 1 . . . . A 71 ARG HA . 36335 1 858 . 1 . 1 71 71 ARG HB2 H 1 1.612 0.030 . 2 . . . . A 71 ARG HB2 . 36335 1 859 . 1 . 1 71 71 ARG HB3 H 1 1.978 0.030 . 2 . . . . A 71 ARG HB3 . 36335 1 860 . 1 . 1 71 71 ARG HG2 H 1 1.498 0.030 . 1 . . . . A 71 ARG HG2 . 36335 1 861 . 1 . 1 71 71 ARG HG3 H 1 1.498 0.030 . 1 . . . . A 71 ARG HG3 . 36335 1 862 . 1 . 1 71 71 ARG HD2 H 1 3.209 0.030 . 1 . . . . A 71 ARG HD2 . 36335 1 863 . 1 . 1 71 71 ARG HD3 H 1 3.209 0.030 . 1 . . . . A 71 ARG HD3 . 36335 1 864 . 1 . 1 71 71 ARG HE H 1 7.979 0.030 . 1 . . . . A 71 ARG HE . 36335 1 865 . 1 . 1 71 71 ARG C C 13 177.938 0.300 . 1 . . . . A 71 ARG C . 36335 1 866 . 1 . 1 71 71 ARG CA C 13 57.593 0.300 . 1 . . . . A 71 ARG CA . 36335 1 867 . 1 . 1 71 71 ARG CB C 13 29.964 0.300 . 1 . . . . A 71 ARG CB . 36335 1 868 . 1 . 1 71 71 ARG CG C 13 26.936 0.300 . 1 . . . . A 71 ARG CG . 36335 1 869 . 1 . 1 71 71 ARG CD C 13 42.683 0.300 . 1 . . . . A 71 ARG CD . 36335 1 870 . 1 . 1 71 71 ARG N N 15 119.540 0.300 . 1 . . . . A 71 ARG N . 36335 1 871 . 1 . 1 71 71 ARG NE N 15 85.382 0.300 . 1 . . . . A 71 ARG NE . 36335 1 872 . 1 . 1 72 72 ALA H H 1 8.543 0.030 . 1 . . . . A 72 ALA H . 36335 1 873 . 1 . 1 72 72 ALA HA H 1 4.427 0.030 . 1 . . . . A 72 ALA HA . 36335 1 874 . 1 . 1 72 72 ALA HB1 H 1 1.340 0.030 . 1 . . . . A 72 ALA HB1 . 36335 1 875 . 1 . 1 72 72 ALA HB2 H 1 1.340 0.030 . 1 . . . . A 72 ALA HB2 . 36335 1 876 . 1 . 1 72 72 ALA HB3 H 1 1.340 0.030 . 1 . . . . A 72 ALA HB3 . 36335 1 877 . 1 . 1 72 72 ALA C C 13 176.008 0.300 . 1 . . . . A 72 ALA C . 36335 1 878 . 1 . 1 72 72 ALA CA C 13 51.770 0.300 . 1 . . . . A 72 ALA CA . 36335 1 879 . 1 . 1 72 72 ALA CB C 13 18.602 0.300 . 1 . . . . A 72 ALA CB . 36335 1 880 . 1 . 1 72 72 ALA N N 15 116.486 0.300 . 1 . . . . A 72 ALA N . 36335 1 881 . 1 . 1 73 73 GLY H H 1 7.524 0.030 . 1 . . . . A 73 GLY H . 36335 1 882 . 1 . 1 73 73 GLY HA2 H 1 3.918 0.030 . 1 . . . . A 73 GLY HA2 . 36335 1 883 . 1 . 1 73 73 GLY HA3 H 1 3.918 0.030 . 1 . . . . A 73 GLY HA3 . 36335 1 884 . 1 . 1 73 73 GLY C C 13 175.009 0.300 . 1 . . . . A 73 GLY C . 36335 1 885 . 1 . 1 73 73 GLY CA C 13 46.849 0.300 . 1 . . . . A 73 GLY CA . 36335 1 886 . 1 . 1 73 73 GLY N N 15 106.835 0.300 . 1 . . . . A 73 GLY N . 36335 1 887 . 1 . 1 74 74 ILE H H 1 7.390 0.030 . 1 . . . . A 74 ILE H . 36335 1 888 . 1 . 1 74 74 ILE HA H 1 4.624 0.030 . 1 . . . . A 74 ILE HA . 36335 1 889 . 1 . 1 74 74 ILE HB H 1 1.801 0.030 . 1 . . . . A 74 ILE HB . 36335 1 890 . 1 . 1 74 74 ILE HG12 H 1 0.901 0.030 . 2 . . . . A 74 ILE HG12 . 36335 1 891 . 1 . 1 74 74 ILE HG13 H 1 1.489 0.030 . 2 . . . . A 74 ILE HG13 . 36335 1 892 . 1 . 1 74 74 ILE HG21 H 1 0.129 0.030 . 1 . . . . A 74 ILE HG21 . 36335 1 893 . 1 . 1 74 74 ILE HG22 H 1 0.129 0.030 . 1 . . . . A 74 ILE HG22 . 36335 1 894 . 1 . 1 74 74 ILE HG23 H 1 0.129 0.030 . 1 . . . . A 74 ILE HG23 . 36335 1 895 . 1 . 1 74 74 ILE HD11 H 1 0.606 0.030 . 1 . . . . A 74 ILE HD11 . 36335 1 896 . 1 . 1 74 74 ILE HD12 H 1 0.606 0.030 . 1 . . . . A 74 ILE HD12 . 36335 1 897 . 1 . 1 74 74 ILE HD13 H 1 0.606 0.030 . 1 . . . . A 74 ILE HD13 . 36335 1 898 . 1 . 1 74 74 ILE C C 13 173.978 0.300 . 1 . . . . A 74 ILE C . 36335 1 899 . 1 . 1 74 74 ILE CA C 13 59.200 0.300 . 1 . . . . A 74 ILE CA . 36335 1 900 . 1 . 1 74 74 ILE CB C 13 40.423 0.300 . 1 . . . . A 74 ILE CB . 36335 1 901 . 1 . 1 74 74 ILE CG1 C 13 25.906 0.300 . 1 . . . . A 74 ILE CG1 . 36335 1 902 . 1 . 1 74 74 ILE CG2 C 13 15.917 0.300 . 1 . . . . A 74 ILE CG2 . 36335 1 903 . 1 . 1 74 74 ILE CD1 C 13 13.228 0.300 . 1 . . . . A 74 ILE CD1 . 36335 1 904 . 1 . 1 74 74 ILE N N 15 108.862 0.300 . 1 . . . . A 74 ILE N . 36335 1 905 . 1 . 1 75 75 THR H H 1 6.913 0.030 . 1 . . . . A 75 THR H . 36335 1 906 . 1 . 1 75 75 THR HA H 1 4.984 0.030 . 1 . . . . A 75 THR HA . 36335 1 907 . 1 . 1 75 75 THR HB H 1 4.916 0.030 . 1 . . . . A 75 THR HB . 36335 1 908 . 1 . 1 75 75 THR HG21 H 1 1.491 0.030 . 1 . . . . A 75 THR HG21 . 36335 1 909 . 1 . 1 75 75 THR HG22 H 1 1.491 0.030 . 1 . . . . A 75 THR HG22 . 36335 1 910 . 1 . 1 75 75 THR HG23 H 1 1.491 0.030 . 1 . . . . A 75 THR HG23 . 36335 1 911 . 1 . 1 75 75 THR CA C 13 58.966 0.300 . 1 . . . . A 75 THR CA . 36335 1 912 . 1 . 1 75 75 THR CB C 13 69.503 0.300 . 1 . . . . A 75 THR CB . 36335 1 913 . 1 . 1 75 75 THR CG2 C 13 22.366 0.300 . 1 . . . . A 75 THR CG2 . 36335 1 914 . 1 . 1 75 75 THR N N 15 107.716 0.300 . 1 . . . . A 75 THR N . 36335 1 915 . 1 . 1 76 76 PRO HA H 1 4.196 0.030 . 1 . . . . A 76 PRO HA . 36335 1 916 . 1 . 1 76 76 PRO HB2 H 1 2.493 0.030 . 1 . . . . A 76 PRO HB2 . 36335 1 917 . 1 . 1 76 76 PRO HB3 H 1 2.493 0.030 . 1 . . . . A 76 PRO HB3 . 36335 1 918 . 1 . 1 76 76 PRO HG2 H 1 2.031 0.030 . 2 . . . . A 76 PRO HG2 . 36335 1 919 . 1 . 1 76 76 PRO HG3 H 1 2.343 0.030 . 2 . . . . A 76 PRO HG3 . 36335 1 920 . 1 . 1 76 76 PRO HD2 H 1 4.027 0.030 . 1 . . . . A 76 PRO HD2 . 36335 1 921 . 1 . 1 76 76 PRO HD3 H 1 4.027 0.030 . 1 . . . . A 76 PRO HD3 . 36335 1 922 . 1 . 1 76 76 PRO C C 13 179.131 0.300 . 1 . . . . A 76 PRO C . 36335 1 923 . 1 . 1 76 76 PRO CA C 13 66.037 0.300 . 1 . . . . A 76 PRO CA . 36335 1 924 . 1 . 1 76 76 PRO CB C 13 31.833 0.300 . 1 . . . . A 76 PRO CB . 36335 1 925 . 1 . 1 76 76 PRO CG C 13 28.354 0.300 . 1 . . . . A 76 PRO CG . 36335 1 926 . 1 . 1 76 76 PRO CD C 13 50.816 0.300 . 1 . . . . A 76 PRO CD . 36335 1 927 . 1 . 1 77 77 GLU H H 1 8.717 0.030 . 1 . . . . A 77 GLU H . 36335 1 928 . 1 . 1 77 77 GLU HA H 1 4.059 0.030 . 1 . . . . A 77 GLU HA . 36335 1 929 . 1 . 1 77 77 GLU HG2 H 1 2.443 0.030 . 1 . . . . A 77 GLU HG2 . 36335 1 930 . 1 . 1 77 77 GLU HG3 H 1 2.443 0.030 . 1 . . . . A 77 GLU HG3 . 36335 1 931 . 1 . 1 77 77 GLU C C 13 178.991 0.300 . 1 . . . . A 77 GLU C . 36335 1 932 . 1 . 1 77 77 GLU CA C 13 60.231 0.300 . 1 . . . . A 77 GLU CA . 36335 1 933 . 1 . 1 77 77 GLU CB C 13 29.114 0.300 . 1 . . . . A 77 GLU CB . 36335 1 934 . 1 . 1 77 77 GLU CG C 13 36.761 0.300 . 1 . . . . A 77 GLU CG . 36335 1 935 . 1 . 1 77 77 GLU N N 15 117.426 0.300 . 1 . . . . A 77 GLU N . 36335 1 936 . 1 . 1 78 78 ALA H H 1 7.817 0.030 . 1 . . . . A 78 ALA H . 36335 1 937 . 1 . 1 78 78 ALA HA H 1 4.135 0.030 . 1 . . . . A 78 ALA HA . 36335 1 938 . 1 . 1 78 78 ALA HB1 H 1 1.709 0.030 . 1 . . . . A 78 ALA HB1 . 36335 1 939 . 1 . 1 78 78 ALA HB2 H 1 1.709 0.030 . 1 . . . . A 78 ALA HB2 . 36335 1 940 . 1 . 1 78 78 ALA HB3 H 1 1.709 0.030 . 1 . . . . A 78 ALA HB3 . 36335 1 941 . 1 . 1 78 78 ALA C C 13 178.785 0.300 . 1 . . . . A 78 ALA C . 36335 1 942 . 1 . 1 78 78 ALA CA C 13 54.936 0.300 . 1 . . . . A 78 ALA CA . 36335 1 943 . 1 . 1 78 78 ALA CB C 13 18.943 0.300 . 1 . . . . A 78 ALA CB . 36335 1 944 . 1 . 1 78 78 ALA N N 15 121.794 0.300 . 1 . . . . A 78 ALA N . 36335 1 945 . 1 . 1 79 79 LEU H H 1 7.943 0.030 . 1 . . . . A 79 LEU H . 36335 1 946 . 1 . 1 79 79 LEU HA H 1 4.005 0.030 . 1 . . . . A 79 LEU HA . 36335 1 947 . 1 . 1 79 79 LEU HB2 H 1 1.528 0.030 . 2 . . . . A 79 LEU HB2 . 36335 1 948 . 1 . 1 79 79 LEU HB3 H 1 2.007 0.030 . 2 . . . . A 79 LEU HB3 . 36335 1 949 . 1 . 1 79 79 LEU HD11 H 1 0.901 0.030 . 2 . . . . A 79 LEU HD11 . 36335 1 950 . 1 . 1 79 79 LEU HD12 H 1 0.901 0.030 . 2 . . . . A 79 LEU HD12 . 36335 1 951 . 1 . 1 79 79 LEU HD13 H 1 0.901 0.030 . 2 . . . . A 79 LEU HD13 . 36335 1 952 . 1 . 1 79 79 LEU HD21 H 1 0.912 0.030 . 2 . . . . A 79 LEU HD21 . 36335 1 953 . 1 . 1 79 79 LEU HD22 H 1 0.912 0.030 . 2 . . . . A 79 LEU HD22 . 36335 1 954 . 1 . 1 79 79 LEU HD23 H 1 0.912 0.030 . 2 . . . . A 79 LEU HD23 . 36335 1 955 . 1 . 1 79 79 LEU C C 13 178.312 0.300 . 1 . . . . A 79 LEU C . 36335 1 956 . 1 . 1 79 79 LEU CA C 13 57.784 0.300 . 1 . . . . A 79 LEU CA . 36335 1 957 . 1 . 1 79 79 LEU CB C 13 41.043 0.300 . 1 . . . . A 79 LEU CB . 36335 1 958 . 1 . 1 79 79 LEU CD1 C 13 25.202 0.300 . 2 . . . . A 79 LEU CD1 . 36335 1 959 . 1 . 1 79 79 LEU CD2 C 13 23.996 0.300 . 2 . . . . A 79 LEU CD2 . 36335 1 960 . 1 . 1 79 79 LEU N N 15 118.330 0.300 . 1 . . . . A 79 LEU N . 36335 1 961 . 1 . 1 80 80 LYS H H 1 7.648 0.030 . 1 . . . . A 80 LYS H . 36335 1 962 . 1 . 1 80 80 LYS HA H 1 4.120 0.030 . 1 . . . . A 80 LYS HA . 36335 1 963 . 1 . 1 80 80 LYS HB2 H 1 2.452 0.030 . 1 . . . . A 80 LYS HB2 . 36335 1 964 . 1 . 1 80 80 LYS HB3 H 1 2.452 0.030 . 1 . . . . A 80 LYS HB3 . 36335 1 965 . 1 . 1 80 80 LYS HG2 H 1 1.625 0.030 . 1 . . . . A 80 LYS HG2 . 36335 1 966 . 1 . 1 80 80 LYS HG3 H 1 1.625 0.030 . 1 . . . . A 80 LYS HG3 . 36335 1 967 . 1 . 1 80 80 LYS HD2 H 1 1.993 0.030 . 1 . . . . A 80 LYS HD2 . 36335 1 968 . 1 . 1 80 80 LYS HD3 H 1 1.993 0.030 . 1 . . . . A 80 LYS HD3 . 36335 1 969 . 1 . 1 80 80 LYS HE2 H 1 2.986 0.030 . 2 . . . . A 80 LYS HE2 . 36335 1 970 . 1 . 1 80 80 LYS HE3 H 1 3.015 0.030 . 2 . . . . A 80 LYS HE3 . 36335 1 971 . 1 . 1 80 80 LYS C C 13 179.470 0.300 . 1 . . . . A 80 LYS C . 36335 1 972 . 1 . 1 80 80 LYS CA C 13 59.166 0.300 . 1 . . . . A 80 LYS CA . 36335 1 973 . 1 . 1 80 80 LYS CB C 13 31.711 0.300 . 1 . . . . A 80 LYS CB . 36335 1 974 . 1 . 1 80 80 LYS CG C 13 25.096 0.300 . 1 . . . . A 80 LYS CG . 36335 1 975 . 1 . 1 80 80 LYS CD C 13 32.334 0.300 . 1 . . . . A 80 LYS CD . 36335 1 976 . 1 . 1 80 80 LYS CE C 13 42.097 0.300 . 1 . . . . A 80 LYS CE . 36335 1 977 . 1 . 1 80 80 LYS N N 15 117.854 0.300 . 1 . . . . A 80 LYS N . 36335 1 978 . 1 . 1 81 81 VAL H H 1 7.386 0.030 . 1 . . . . A 81 VAL H . 36335 1 979 . 1 . 1 81 81 VAL HA H 1 3.702 0.030 . 1 . . . . A 81 VAL HA . 36335 1 980 . 1 . 1 81 81 VAL HB H 1 2.454 0.030 . 1 . . . . A 81 VAL HB . 36335 1 981 . 1 . 1 81 81 VAL HG11 H 1 1.107 0.030 . 1 . . . . A 81 VAL HG11 . 36335 1 982 . 1 . 1 81 81 VAL HG12 H 1 1.107 0.030 . 1 . . . . A 81 VAL HG12 . 36335 1 983 . 1 . 1 81 81 VAL HG13 H 1 1.107 0.030 . 1 . . . . A 81 VAL HG13 . 36335 1 984 . 1 . 1 81 81 VAL HG21 H 1 1.117 0.030 . 1 . . . . A 81 VAL HG21 . 36335 1 985 . 1 . 1 81 81 VAL HG22 H 1 1.117 0.030 . 1 . . . . A 81 VAL HG22 . 36335 1 986 . 1 . 1 81 81 VAL HG23 H 1 1.117 0.030 . 1 . . . . A 81 VAL HG23 . 36335 1 987 . 1 . 1 81 81 VAL C C 13 177.887 0.300 . 1 . . . . A 81 VAL C . 36335 1 988 . 1 . 1 81 81 VAL CA C 13 66.224 0.300 . 1 . . . . A 81 VAL CA . 36335 1 989 . 1 . 1 81 81 VAL CB C 13 31.524 0.300 . 1 . . . . A 81 VAL CB . 36335 1 990 . 1 . 1 81 81 VAL CG1 C 13 21.868 0.300 . 1 . . . . A 81 VAL CG1 . 36335 1 991 . 1 . 1 81 81 VAL CG2 C 13 21.868 0.300 . 1 . . . . A 81 VAL CG2 . 36335 1 992 . 1 . 1 81 81 VAL N N 15 119.560 0.300 . 1 . . . . A 81 VAL N . 36335 1 993 . 1 . 1 82 82 ILE H H 1 7.841 0.030 . 1 . . . . A 82 ILE H . 36335 1 994 . 1 . 1 82 82 ILE HA H 1 3.418 0.030 . 1 . . . . A 82 ILE HA . 36335 1 995 . 1 . 1 82 82 ILE HB H 1 2.102 0.030 . 1 . . . . A 82 ILE HB . 36335 1 996 . 1 . 1 82 82 ILE HG12 H 1 0.768 0.030 . 2 . . . . A 82 ILE HG12 . 36335 1 997 . 1 . 1 82 82 ILE HG13 H 1 1.870 0.030 . 2 . . . . A 82 ILE HG13 . 36335 1 998 . 1 . 1 82 82 ILE HG21 H 1 0.763 0.030 . 1 . . . . A 82 ILE HG21 . 36335 1 999 . 1 . 1 82 82 ILE HG22 H 1 0.763 0.030 . 1 . . . . A 82 ILE HG22 . 36335 1 1000 . 1 . 1 82 82 ILE HG23 H 1 0.763 0.030 . 1 . . . . A 82 ILE HG23 . 36335 1 1001 . 1 . 1 82 82 ILE HD11 H 1 0.645 0.030 . 1 . . . . A 82 ILE HD11 . 36335 1 1002 . 1 . 1 82 82 ILE HD12 H 1 0.645 0.030 . 1 . . . . A 82 ILE HD12 . 36335 1 1003 . 1 . 1 82 82 ILE HD13 H 1 0.645 0.030 . 1 . . . . A 82 ILE HD13 . 36335 1 1004 . 1 . 1 82 82 ILE C C 13 177.143 0.300 . 1 . . . . A 82 ILE C . 36335 1 1005 . 1 . 1 82 82 ILE CA C 13 66.214 0.300 . 1 . . . . A 82 ILE CA . 36335 1 1006 . 1 . 1 82 82 ILE CB C 13 37.712 0.300 . 1 . . . . A 82 ILE CB . 36335 1 1007 . 1 . 1 82 82 ILE CG1 C 13 30.129 0.300 . 1 . . . . A 82 ILE CG1 . 36335 1 1008 . 1 . 1 82 82 ILE CG2 C 13 17.270 0.300 . 1 . . . . A 82 ILE CG2 . 36335 1 1009 . 1 . 1 82 82 ILE CD1 C 13 13.917 0.300 . 1 . . . . A 82 ILE CD1 . 36335 1 1010 . 1 . 1 82 82 ILE N N 15 120.326 0.300 . 1 . . . . A 82 ILE N . 36335 1 1011 . 1 . 1 83 83 GLU H H 1 8.050 0.030 . 1 . . . . A 83 GLU H . 36335 1 1012 . 1 . 1 83 83 GLU HA H 1 3.974 0.030 . 1 . . . . A 83 GLU HA . 36335 1 1013 . 1 . 1 83 83 GLU HB2 H 1 2.101 0.030 . 1 . . . . A 83 GLU HB2 . 36335 1 1014 . 1 . 1 83 83 GLU HB3 H 1 2.101 0.030 . 1 . . . . A 83 GLU HB3 . 36335 1 1015 . 1 . 1 83 83 GLU HG2 H 1 2.145 0.030 . 2 . . . . A 83 GLU HG2 . 36335 1 1016 . 1 . 1 83 83 GLU HG3 H 1 2.457 0.030 . 2 . . . . A 83 GLU HG3 . 36335 1 1017 . 1 . 1 83 83 GLU C C 13 178.821 0.300 . 1 . . . . A 83 GLU C . 36335 1 1018 . 1 . 1 83 83 GLU CA C 13 59.438 0.300 . 1 . . . . A 83 GLU CA . 36335 1 1019 . 1 . 1 83 83 GLU CB C 13 29.441 0.300 . 1 . . . . A 83 GLU CB . 36335 1 1020 . 1 . 1 83 83 GLU CG C 13 36.934 0.300 . 1 . . . . A 83 GLU CG . 36335 1 1021 . 1 . 1 83 83 GLU N N 15 117.422 0.300 . 1 . . . . A 83 GLU N . 36335 1 1022 . 1 . 1 84 84 LYS H H 1 7.666 0.030 . 1 . . . . A 84 LYS H . 36335 1 1023 . 1 . 1 84 84 LYS HA H 1 4.109 0.030 . 1 . . . . A 84 LYS HA . 36335 1 1024 . 1 . 1 84 84 LYS HB2 H 1 2.103 0.030 . 1 . . . . A 84 LYS HB2 . 36335 1 1025 . 1 . 1 84 84 LYS HB3 H 1 2.103 0.030 . 1 . . . . A 84 LYS HB3 . 36335 1 1026 . 1 . 1 84 84 LYS HG2 H 1 1.445 0.030 . 1 . . . . A 84 LYS HG2 . 36335 1 1027 . 1 . 1 84 84 LYS HG3 H 1 1.445 0.030 . 1 . . . . A 84 LYS HG3 . 36335 1 1028 . 1 . 1 84 84 LYS HD2 H 1 1.640 0.030 . 2 . . . . A 84 LYS HD2 . 36335 1 1029 . 1 . 1 84 84 LYS HD3 H 1 1.742 0.030 . 2 . . . . A 84 LYS HD3 . 36335 1 1030 . 1 . 1 84 84 LYS HE2 H 1 2.972 0.030 . 2 . . . . A 84 LYS HE2 . 36335 1 1031 . 1 . 1 84 84 LYS HE3 H 1 3.012 0.030 . 2 . . . . A 84 LYS HE3 . 36335 1 1032 . 1 . 1 84 84 LYS C C 13 178.872 0.300 . 1 . . . . A 84 LYS C . 36335 1 1033 . 1 . 1 84 84 LYS CA C 13 59.345 0.300 . 1 . . . . A 84 LYS CA . 36335 1 1034 . 1 . 1 84 84 LYS CB C 13 32.398 0.300 . 1 . . . . A 84 LYS CB . 36335 1 1035 . 1 . 1 84 84 LYS CG C 13 25.020 0.300 . 1 . . . . A 84 LYS CG . 36335 1 1036 . 1 . 1 84 84 LYS CD C 13 29.431 0.300 . 1 . . . . A 84 LYS CD . 36335 1 1037 . 1 . 1 84 84 LYS CE C 13 42.107 0.300 . 1 . . . . A 84 LYS CE . 36335 1 1038 . 1 . 1 84 84 LYS N N 15 120.808 0.300 . 1 . . . . A 84 LYS N . 36335 1 1039 . 1 . 1 85 85 ILE H H 1 8.281 0.030 . 1 . . . . A 85 ILE H . 36335 1 1040 . 1 . 1 85 85 ILE HA H 1 3.757 0.030 . 1 . . . . A 85 ILE HA . 36335 1 1041 . 1 . 1 85 85 ILE HB H 1 1.930 0.030 . 1 . . . . A 85 ILE HB . 36335 1 1042 . 1 . 1 85 85 ILE HG12 H 1 1.136 0.030 . 2 . . . . A 85 ILE HG12 . 36335 1 1043 . 1 . 1 85 85 ILE HG13 H 1 1.870 0.030 . 2 . . . . A 85 ILE HG13 . 36335 1 1044 . 1 . 1 85 85 ILE HG21 H 1 0.931 0.030 . 1 . . . . A 85 ILE HG21 . 36335 1 1045 . 1 . 1 85 85 ILE HG22 H 1 0.931 0.030 . 1 . . . . A 85 ILE HG22 . 36335 1 1046 . 1 . 1 85 85 ILE HG23 H 1 0.931 0.030 . 1 . . . . A 85 ILE HG23 . 36335 1 1047 . 1 . 1 85 85 ILE HD11 H 1 0.810 0.030 . 1 . . . . A 85 ILE HD11 . 36335 1 1048 . 1 . 1 85 85 ILE HD12 H 1 0.810 0.030 . 1 . . . . A 85 ILE HD12 . 36335 1 1049 . 1 . 1 85 85 ILE HD13 H 1 0.810 0.030 . 1 . . . . A 85 ILE HD13 . 36335 1 1050 . 1 . 1 85 85 ILE C C 13 178.249 0.300 . 1 . . . . A 85 ILE C . 36335 1 1051 . 1 . 1 85 85 ILE CA C 13 65.086 0.300 . 1 . . . . A 85 ILE CA . 36335 1 1052 . 1 . 1 85 85 ILE CB C 13 38.141 0.300 . 1 . . . . A 85 ILE CB . 36335 1 1053 . 1 . 1 85 85 ILE CG1 C 13 28.766 0.300 . 1 . . . . A 85 ILE CG1 . 36335 1 1054 . 1 . 1 85 85 ILE CG2 C 13 17.475 0.300 . 1 . . . . A 85 ILE CG2 . 36335 1 1055 . 1 . 1 85 85 ILE CD1 C 13 15.332 0.300 . 1 . . . . A 85 ILE CD1 . 36335 1 1056 . 1 . 1 85 85 ILE N N 15 121.620 0.300 . 1 . . . . A 85 ILE N . 36335 1 1057 . 1 . 1 86 86 GLU H H 1 8.447 0.030 . 1 . . . . A 86 GLU H . 36335 1 1058 . 1 . 1 86 86 GLU HA H 1 3.743 0.030 . 1 . . . . A 86 GLU HA . 36335 1 1059 . 1 . 1 86 86 GLU HB2 H 1 2.082 0.030 . 1 . . . . A 86 GLU HB2 . 36335 1 1060 . 1 . 1 86 86 GLU HB3 H 1 2.082 0.030 . 1 . . . . A 86 GLU HB3 . 36335 1 1061 . 1 . 1 86 86 GLU HG2 H 1 2.530 0.030 . 1 . . . . A 86 GLU HG2 . 36335 1 1062 . 1 . 1 86 86 GLU HG3 H 1 2.530 0.030 . 1 . . . . A 86 GLU HG3 . 36335 1 1063 . 1 . 1 86 86 GLU C C 13 178.684 0.300 . 1 . . . . A 86 GLU C . 36335 1 1064 . 1 . 1 86 86 GLU CA C 13 59.380 0.300 . 1 . . . . A 86 GLU CA . 36335 1 1065 . 1 . 1 86 86 GLU CB C 13 29.495 0.300 . 1 . . . . A 86 GLU CB . 36335 1 1066 . 1 . 1 86 86 GLU CG C 13 36.425 0.300 . 1 . . . . A 86 GLU CG . 36335 1 1067 . 1 . 1 86 86 GLU N N 15 120.031 0.300 . 1 . . . . A 86 GLU N . 36335 1 1068 . 1 . 1 87 87 LYS H H 1 7.654 0.030 . 1 . . . . A 87 LYS H . 36335 1 1069 . 1 . 1 87 87 LYS HA H 1 3.783 0.030 . 1 . . . . A 87 LYS HA . 36335 1 1070 . 1 . 1 87 87 LYS HB2 H 1 1.989 0.030 . 1 . . . . A 87 LYS HB2 . 36335 1 1071 . 1 . 1 87 87 LYS HB3 H 1 1.989 0.030 . 1 . . . . A 87 LYS HB3 . 36335 1 1072 . 1 . 1 87 87 LYS C C 13 178.745 0.300 . 1 . . . . A 87 LYS C . 36335 1 1073 . 1 . 1 87 87 LYS CA C 13 58.586 0.300 . 1 . . . . A 87 LYS CA . 36335 1 1074 . 1 . 1 87 87 LYS CB C 13 32.545 0.300 . 1 . . . . A 87 LYS CB . 36335 1 1075 . 1 . 1 87 87 LYS CG C 13 23.156 0.300 . 1 . . . . A 87 LYS CG . 36335 1 1076 . 1 . 1 87 87 LYS CD C 13 26.794 0.300 . 1 . . . . A 87 LYS CD . 36335 1 1077 . 1 . 1 87 87 LYS N N 15 118.165 0.300 . 1 . . . . A 87 LYS N . 36335 1 1078 . 1 . 1 88 88 GLU H H 1 8.230 0.030 . 1 . . . . A 88 GLU H . 36335 1 1079 . 1 . 1 88 88 GLU HA H 1 4.169 0.030 . 1 . . . . A 88 GLU HA . 36335 1 1080 . 1 . 1 88 88 GLU HB2 H 1 2.077 0.030 . 1 . . . . A 88 GLU HB2 . 36335 1 1081 . 1 . 1 88 88 GLU HB3 H 1 2.077 0.030 . 1 . . . . A 88 GLU HB3 . 36335 1 1082 . 1 . 1 88 88 GLU HG2 H 1 2.524 0.030 . 1 . . . . A 88 GLU HG2 . 36335 1 1083 . 1 . 1 88 88 GLU HG3 H 1 2.524 0.030 . 1 . . . . A 88 GLU HG3 . 36335 1 1084 . 1 . 1 88 88 GLU C C 13 178.526 0.300 . 1 . . . . A 88 GLU C . 36335 1 1085 . 1 . 1 88 88 GLU CA C 13 58.297 0.300 . 1 . . . . A 88 GLU CA . 36335 1 1086 . 1 . 1 88 88 GLU CB C 13 29.640 0.300 . 1 . . . . A 88 GLU CB . 36335 1 1087 . 1 . 1 88 88 GLU CG C 13 36.444 0.300 . 1 . . . . A 88 GLU CG . 36335 1 1088 . 1 . 1 88 88 GLU N N 15 120.311 0.300 . 1 . . . . A 88 GLU N . 36335 1 1089 . 1 . 1 89 89 GLU H H 1 8.345 0.030 . 1 . . . . A 89 GLU H . 36335 1 1090 . 1 . 1 89 89 GLU HA H 1 4.187 0.030 . 1 . . . . A 89 GLU HA . 36335 1 1091 . 1 . 1 89 89 GLU HB2 H 1 1.913 0.030 . 1 . . . . A 89 GLU HB2 . 36335 1 1092 . 1 . 1 89 89 GLU HB3 H 1 1.913 0.030 . 1 . . . . A 89 GLU HB3 . 36335 1 1093 . 1 . 1 89 89 GLU C C 13 177.887 0.300 . 1 . . . . A 89 GLU C . 36335 1 1094 . 1 . 1 89 89 GLU CA C 13 56.942 0.300 . 1 . . . . A 89 GLU CA . 36335 1 1095 . 1 . 1 89 89 GLU CB C 13 29.989 0.300 . 1 . . . . A 89 GLU CB . 36335 1 1096 . 1 . 1 89 89 GLU N N 15 118.555 0.300 . 1 . . . . A 89 GLU N . 36335 1 1097 . 1 . 1 90 90 GLY H H 1 8.090 0.030 . 1 . . . . A 90 GLY H . 36335 1 1098 . 1 . 1 90 90 GLY HA2 H 1 4.011 0.030 . 2 . . . . A 90 GLY HA2 . 36335 1 1099 . 1 . 1 90 90 GLY HA3 H 1 4.048 0.030 . 2 . . . . A 90 GLY HA3 . 36335 1 1100 . 1 . 1 90 90 GLY C C 13 174.755 0.300 . 1 . . . . A 90 GLY C . 36335 1 1101 . 1 . 1 90 90 GLY CA C 13 45.965 0.300 . 1 . . . . A 90 GLY CA . 36335 1 1102 . 1 . 1 90 90 GLY N N 15 107.945 0.300 . 1 . . . . A 90 GLY N . 36335 1 1103 . 1 . 1 91 91 SER H H 1 8.039 0.030 . 1 . . . . A 91 SER H . 36335 1 1104 . 1 . 1 91 91 SER HA H 1 4.455 0.030 . 1 . . . . A 91 SER HA . 36335 1 1105 . 1 . 1 91 91 SER HB2 H 1 3.935 0.030 . 2 . . . . A 91 SER HB2 . 36335 1 1106 . 1 . 1 91 91 SER HB3 H 1 3.980 0.030 . 2 . . . . A 91 SER HB3 . 36335 1 1107 . 1 . 1 91 91 SER C C 13 174.990 0.300 . 1 . . . . A 91 SER C . 36335 1 1108 . 1 . 1 91 91 SER CA C 13 58.882 0.300 . 1 . . . . A 91 SER CA . 36335 1 1109 . 1 . 1 91 91 SER CB C 13 63.818 0.300 . 1 . . . . A 91 SER CB . 36335 1 1110 . 1 . 1 91 91 SER N N 15 115.226 0.300 . 1 . . . . A 91 SER N . 36335 1 1111 . 1 . 1 92 92 LEU H H 1 8.140 0.030 . 1 . . . . A 92 LEU H . 36335 1 1112 . 1 . 1 92 92 LEU HA H 1 4.294 0.030 . 1 . . . . A 92 LEU HA . 36335 1 1113 . 1 . 1 92 92 LEU HB2 H 1 1.576 0.030 . 2 . . . . A 92 LEU HB2 . 36335 1 1114 . 1 . 1 92 92 LEU HB3 H 1 1.692 0.030 . 2 . . . . A 92 LEU HB3 . 36335 1 1115 . 1 . 1 92 92 LEU HD11 H 1 0.869 0.030 . 2 . . . . A 92 LEU HD11 . 36335 1 1116 . 1 . 1 92 92 LEU HD12 H 1 0.869 0.030 . 2 . . . . A 92 LEU HD12 . 36335 1 1117 . 1 . 1 92 92 LEU HD13 H 1 0.869 0.030 . 2 . . . . A 92 LEU HD13 . 36335 1 1118 . 1 . 1 92 92 LEU HD21 H 1 0.933 0.030 . 2 . . . . A 92 LEU HD21 . 36335 1 1119 . 1 . 1 92 92 LEU HD22 H 1 0.933 0.030 . 2 . . . . A 92 LEU HD22 . 36335 1 1120 . 1 . 1 92 92 LEU HD23 H 1 0.933 0.030 . 2 . . . . A 92 LEU HD23 . 36335 1 1121 . 1 . 1 92 92 LEU C C 13 177.611 0.300 . 1 . . . . A 92 LEU C . 36335 1 1122 . 1 . 1 92 92 LEU CA C 13 55.743 0.300 . 1 . . . . A 92 LEU CA . 36335 1 1123 . 1 . 1 92 92 LEU CB C 13 42.185 0.300 . 1 . . . . A 92 LEU CB . 36335 1 1124 . 1 . 1 92 92 LEU CD1 C 13 23.450 0.300 . 2 . . . . A 92 LEU CD1 . 36335 1 1125 . 1 . 1 92 92 LEU CD2 C 13 25.155 0.300 . 2 . . . . A 92 LEU CD2 . 36335 1 1126 . 1 . 1 92 92 LEU N N 15 123.057 0.300 . 1 . . . . A 92 LEU N . 36335 1 1127 . 1 . 1 93 93 GLU H H 1 8.174 0.030 . 1 . . . . A 93 GLU H . 36335 1 1128 . 1 . 1 93 93 GLU HA H 1 4.183 0.030 . 1 . . . . A 93 GLU HA . 36335 1 1129 . 1 . 1 93 93 GLU HB2 H 1 1.918 0.030 . 1 . . . . A 93 GLU HB2 . 36335 1 1130 . 1 . 1 93 93 GLU HB3 H 1 1.918 0.030 . 1 . . . . A 93 GLU HB3 . 36335 1 1131 . 1 . 1 93 93 GLU CA C 13 56.863 0.300 . 1 . . . . A 93 GLU CA . 36335 1 1132 . 1 . 1 93 93 GLU CB C 13 30.106 0.300 . 1 . . . . A 93 GLU CB . 36335 1 1133 . 1 . 1 93 93 GLU N N 15 119.928 0.300 . 1 . . . . A 93 GLU N . 36335 1 1134 . 1 . 1 94 94 HIS H H 1 8.232 0.030 . 1 . . . . A 94 HIS H . 36335 1 1135 . 1 . 1 94 94 HIS HA H 1 4.651 0.030 . 1 . . . . A 94 HIS HA . 36335 1 1136 . 1 . 1 94 94 HIS HB2 H 1 3.089 0.030 . 2 . . . . A 94 HIS HB2 . 36335 1 1137 . 1 . 1 94 94 HIS HB3 H 1 3.135 0.030 . 2 . . . . A 94 HIS HB3 . 36335 1 1138 . 1 . 1 94 94 HIS HD2 H 1 7.100 0.030 . 1 . . . . A 94 HIS HD2 . 36335 1 1139 . 1 . 1 94 94 HIS HE1 H 1 8.266 0.030 . 1 . . . . A 94 HIS HE1 . 36335 1 1140 . 1 . 1 94 94 HIS CA C 13 55.950 0.300 . 1 . . . . A 94 HIS CA . 36335 1 1141 . 1 . 1 94 94 HIS CB C 13 29.944 0.300 . 1 . . . . A 94 HIS CB . 36335 1 1142 . 1 . 1 94 94 HIS CD2 C 13 119.795 0.300 . 1 . . . . A 94 HIS CD2 . 36335 1 1143 . 1 . 1 94 94 HIS CE1 C 13 137.395 0.300 . 1 . . . . A 94 HIS CE1 . 36335 1 1144 . 1 . 1 94 94 HIS N N 15 118.788 0.300 . 1 . . . . A 94 HIS N . 36335 1 1145 . 1 . 1 95 95 HIS H H 1 8.222 0.030 . 1 . . . . A 95 HIS H . 36335 1 1146 . 1 . 1 95 95 HIS HA H 1 4.176 0.030 . 1 . . . . A 95 HIS HA . 36335 1 1147 . 1 . 1 95 95 HIS CA C 13 58.359 0.300 . 1 . . . . A 95 HIS CA . 36335 1 1148 . 1 . 1 95 95 HIS CB C 13 29.958 0.300 . 1 . . . . A 95 HIS CB . 36335 1 1149 . 1 . 1 95 95 HIS N N 15 125.375 0.300 . 1 . . . . A 95 HIS N . 36335 1 1150 . 1 . 1 96 96 HIS H H 1 8.231 0.030 . 1 . . . . A 96 HIS H . 36335 1 1151 . 1 . 1 96 96 HIS N N 15 120.236 0.300 . 1 . . . . A 96 HIS N . 36335 1 stop_ save_