data_36336 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36336 _Entry.Title ; Solution NMR structure of fold-C Rei; 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' 36336 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. . . . 36336 2 T. Sugiki T. . . . 36336 3 T. Fujiwara T. . . . 36336 4 K. Sakuma K. . . . 36336 5 T. Kosugi T. . . . 36336 6 R. Koga R. . . . 36336 7 N. Koga N. . . . 36336 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 36336 'de novo designed protein' . 36336 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36336 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 488 36336 '15N chemical shifts' 121 36336 '1H chemical shifts' 775 36336 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' 36336 1 . . 2022-01-28 2020-03-25 original author 'original release' 36336 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 36335 'Solution NMR structure of fold-0 Chantal; de novo designed protein with an asymmetric all-alpha topology' 36336 BMRB 36337 'Solution NMR structure of fold-Z Gogy; de novo designed protein with an asymmetric all-alpha topology' 36336 BMRB 36338 'Solution NMR structure of fold-K Mussoc; de novo designed protein with an asymmetric all-alpha topology' 36336 BMRB 36339 'Solution NMR structure of fold-U Nomur; de novo designed protein with an asymmetric all-alpha topology' 36336 PDB 7BQN . 36336 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36336 _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. . . . 36336 1 2 Naohiro Kobayashi N. . . . 36336 1 3 Toshihiko Sugiki T. . . . 36336 1 4 Toshio Nagashima T. . . . 36336 1 5 Toshimichi Fujiwara T. . . . 36336 1 6 Kano Suzuki K. . . . 36336 1 7 Naoya Kobayashi N. . . . 36336 1 8 Takeshi Murata T. . . . 36336 1 9 Takahiro Kosugi T. . . . 36336 1 10 Rie Tatsumi-Koga R. . . . 36336 1 11 Nobuyasu Koga N. . . . 36336 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36336 _Assembly.ID 1 _Assembly.Name Rei _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 . . . . . . 36336 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36336 _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 ; GDEAEKQAERALELVRKSPD LLKKLLEAMAEELKRQGKSP DEIQKAKDEVKTKVEQAIRE WKQGNEEQARKDMRKVLKSP AFKQAVKVMEEQEPNNPEVQ ELKKAMEEAERGSLEHHHHH H ; _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 121 _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 14110.003 _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 . 36336 1 2 2 ASP . 36336 1 3 3 GLU . 36336 1 4 4 ALA . 36336 1 5 5 GLU . 36336 1 6 6 LYS . 36336 1 7 7 GLN . 36336 1 8 8 ALA . 36336 1 9 9 GLU . 36336 1 10 10 ARG . 36336 1 11 11 ALA . 36336 1 12 12 LEU . 36336 1 13 13 GLU . 36336 1 14 14 LEU . 36336 1 15 15 VAL . 36336 1 16 16 ARG . 36336 1 17 17 LYS . 36336 1 18 18 SER . 36336 1 19 19 PRO . 36336 1 20 20 ASP . 36336 1 21 21 LEU . 36336 1 22 22 LEU . 36336 1 23 23 LYS . 36336 1 24 24 LYS . 36336 1 25 25 LEU . 36336 1 26 26 LEU . 36336 1 27 27 GLU . 36336 1 28 28 ALA . 36336 1 29 29 MET . 36336 1 30 30 ALA . 36336 1 31 31 GLU . 36336 1 32 32 GLU . 36336 1 33 33 LEU . 36336 1 34 34 LYS . 36336 1 35 35 ARG . 36336 1 36 36 GLN . 36336 1 37 37 GLY . 36336 1 38 38 LYS . 36336 1 39 39 SER . 36336 1 40 40 PRO . 36336 1 41 41 ASP . 36336 1 42 42 GLU . 36336 1 43 43 ILE . 36336 1 44 44 GLN . 36336 1 45 45 LYS . 36336 1 46 46 ALA . 36336 1 47 47 LYS . 36336 1 48 48 ASP . 36336 1 49 49 GLU . 36336 1 50 50 VAL . 36336 1 51 51 LYS . 36336 1 52 52 THR . 36336 1 53 53 LYS . 36336 1 54 54 VAL . 36336 1 55 55 GLU . 36336 1 56 56 GLN . 36336 1 57 57 ALA . 36336 1 58 58 ILE . 36336 1 59 59 ARG . 36336 1 60 60 GLU . 36336 1 61 61 TRP . 36336 1 62 62 LYS . 36336 1 63 63 GLN . 36336 1 64 64 GLY . 36336 1 65 65 ASN . 36336 1 66 66 GLU . 36336 1 67 67 GLU . 36336 1 68 68 GLN . 36336 1 69 69 ALA . 36336 1 70 70 ARG . 36336 1 71 71 LYS . 36336 1 72 72 ASP . 36336 1 73 73 MET . 36336 1 74 74 ARG . 36336 1 75 75 LYS . 36336 1 76 76 VAL . 36336 1 77 77 LEU . 36336 1 78 78 LYS . 36336 1 79 79 SER . 36336 1 80 80 PRO . 36336 1 81 81 ALA . 36336 1 82 82 PHE . 36336 1 83 83 LYS . 36336 1 84 84 GLN . 36336 1 85 85 ALA . 36336 1 86 86 VAL . 36336 1 87 87 LYS . 36336 1 88 88 VAL . 36336 1 89 89 MET . 36336 1 90 90 GLU . 36336 1 91 91 GLU . 36336 1 92 92 GLN . 36336 1 93 93 GLU . 36336 1 94 94 PRO . 36336 1 95 95 ASN . 36336 1 96 96 ASN . 36336 1 97 97 PRO . 36336 1 98 98 GLU . 36336 1 99 99 VAL . 36336 1 100 100 GLN . 36336 1 101 101 GLU . 36336 1 102 102 LEU . 36336 1 103 103 LYS . 36336 1 104 104 LYS . 36336 1 105 105 ALA . 36336 1 106 106 MET . 36336 1 107 107 GLU . 36336 1 108 108 GLU . 36336 1 109 109 ALA . 36336 1 110 110 GLU . 36336 1 111 111 ARG . 36336 1 112 112 GLY . 36336 1 113 113 SER . 36336 1 114 114 LEU . 36336 1 115 115 GLU . 36336 1 116 116 HIS . 36336 1 117 117 HIS . 36336 1 118 118 HIS . 36336 1 119 119 HIS . 36336 1 120 120 HIS . 36336 1 121 121 HIS . 36336 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 36336 1 . ASP 2 2 36336 1 . GLU 3 3 36336 1 . ALA 4 4 36336 1 . GLU 5 5 36336 1 . LYS 6 6 36336 1 . GLN 7 7 36336 1 . ALA 8 8 36336 1 . GLU 9 9 36336 1 . ARG 10 10 36336 1 . ALA 11 11 36336 1 . LEU 12 12 36336 1 . GLU 13 13 36336 1 . LEU 14 14 36336 1 . VAL 15 15 36336 1 . ARG 16 16 36336 1 . LYS 17 17 36336 1 . SER 18 18 36336 1 . PRO 19 19 36336 1 . ASP 20 20 36336 1 . LEU 21 21 36336 1 . LEU 22 22 36336 1 . LYS 23 23 36336 1 . LYS 24 24 36336 1 . LEU 25 25 36336 1 . LEU 26 26 36336 1 . GLU 27 27 36336 1 . ALA 28 28 36336 1 . MET 29 29 36336 1 . ALA 30 30 36336 1 . GLU 31 31 36336 1 . GLU 32 32 36336 1 . LEU 33 33 36336 1 . LYS 34 34 36336 1 . ARG 35 35 36336 1 . GLN 36 36 36336 1 . GLY 37 37 36336 1 . LYS 38 38 36336 1 . SER 39 39 36336 1 . PRO 40 40 36336 1 . ASP 41 41 36336 1 . GLU 42 42 36336 1 . ILE 43 43 36336 1 . GLN 44 44 36336 1 . LYS 45 45 36336 1 . ALA 46 46 36336 1 . LYS 47 47 36336 1 . ASP 48 48 36336 1 . GLU 49 49 36336 1 . VAL 50 50 36336 1 . LYS 51 51 36336 1 . THR 52 52 36336 1 . LYS 53 53 36336 1 . VAL 54 54 36336 1 . GLU 55 55 36336 1 . GLN 56 56 36336 1 . ALA 57 57 36336 1 . ILE 58 58 36336 1 . ARG 59 59 36336 1 . GLU 60 60 36336 1 . TRP 61 61 36336 1 . LYS 62 62 36336 1 . GLN 63 63 36336 1 . GLY 64 64 36336 1 . ASN 65 65 36336 1 . GLU 66 66 36336 1 . GLU 67 67 36336 1 . GLN 68 68 36336 1 . ALA 69 69 36336 1 . ARG 70 70 36336 1 . LYS 71 71 36336 1 . ASP 72 72 36336 1 . MET 73 73 36336 1 . ARG 74 74 36336 1 . LYS 75 75 36336 1 . VAL 76 76 36336 1 . LEU 77 77 36336 1 . LYS 78 78 36336 1 . SER 79 79 36336 1 . PRO 80 80 36336 1 . ALA 81 81 36336 1 . PHE 82 82 36336 1 . LYS 83 83 36336 1 . GLN 84 84 36336 1 . ALA 85 85 36336 1 . VAL 86 86 36336 1 . LYS 87 87 36336 1 . VAL 88 88 36336 1 . MET 89 89 36336 1 . GLU 90 90 36336 1 . GLU 91 91 36336 1 . GLN 92 92 36336 1 . GLU 93 93 36336 1 . PRO 94 94 36336 1 . ASN 95 95 36336 1 . ASN 96 96 36336 1 . PRO 97 97 36336 1 . GLU 98 98 36336 1 . VAL 99 99 36336 1 . GLN 100 100 36336 1 . GLU 101 101 36336 1 . LEU 102 102 36336 1 . LYS 103 103 36336 1 . LYS 104 104 36336 1 . ALA 105 105 36336 1 . MET 106 106 36336 1 . GLU 107 107 36336 1 . GLU 108 108 36336 1 . ALA 109 109 36336 1 . GLU 110 110 36336 1 . ARG 111 111 36336 1 . GLY 112 112 36336 1 . SER 113 113 36336 1 . LEU 114 114 36336 1 . GLU 115 115 36336 1 . HIS 116 116 36336 1 . HIS 117 117 36336 1 . HIS 118 118 36336 1 . HIS 119 119 36336 1 . HIS 120 120 36336 1 . HIS 121 121 36336 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 36336 _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 . . . . . . . . . . . . . 36336 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 36336 _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 . . . . . . . . . . 36336 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36336 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.9 mM [U-100% 13C; U-100% 15N] Rei, 4.5 mM potassium phosphate, 5.5 mM sodium phosphate, 50 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 Rei '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.9 . . mM . . . . 36336 1 2 'potassium phosphate' 'natural abundance' . . . . . . 4.5 . . mM . . . . 36336 1 3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 36336 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 5.5 . . mM . . . . 36336 1 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36336 1 6 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36336 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36336 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.2 mM [U-100% 13C; U-100% 15N] Rei, 4.5 mM potassium phosphate, 5.5 mM sodium phosphate, 50 mM sodium chloride, 7 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 Rei '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.2 . . mM . . . . 36336 2 2 'Pf1 phage' 'natural abundance' . . . . . . 7 . . mg/mL . . . . 36336 2 3 'potassium phosphate' 'natural abundance' . . . . . . 4.5 . . mM . . . . 36336 2 4 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 36336 2 5 'sodium phosphate' 'natural abundance' . . . . . buffer 5.5 . . mM . . . . 36336 2 6 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36336 2 7 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36336 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 36336 _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' 56.6 . mM 36336 1 pH 6.89 . pH 36336 1 pressure 1 . atm 36336 1 temperature 303 . K 36336 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36336 _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' . . 36336 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36336 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36336 _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' . . 36336 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36336 2 'structure calculation' . 36336 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36336 _Software.ID 3 _Software.Type . _Software.Name MAGRO _Software.Version 2.01.24 _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)' . . 36336 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36336 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36336 _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' . . 36336 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36336 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36336 _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' . . 36336 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36336 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36336 _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' . . 36336 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36336 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 36336 _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' . . 36336 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 36336 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 36336 _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 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36336 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 36336 _NMR_spectrometer.ID 3 _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 36336 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 36336 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 36336 1 3 NMR_spectrometer_3 Bruker 'AVANCE III' . 950 . . . 36336 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 36336 _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 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36336 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36336 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36336 1 4 '3D BEST-HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36336 1 5 '3D BEST-HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36336 1 6 '3D BEST-HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36336 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36336 1 8 '3D HCCH-TOCSY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36336 1 9 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36336 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36336 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36336 1 12 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36336 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 36336 _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 . . . . . 36336 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36336 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36336 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 36336 _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 36336 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 36336 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 36336 1 4 '3D BEST-HNCO' 1 $sample_1 isotropic 36336 1 5 '3D BEST-HNCACB' 1 $sample_1 isotropic 36336 1 6 '3D BEST-HN(CO)CACB' 1 $sample_1 isotropic 36336 1 7 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36336 1 8 '3D HCCH-TOCSY aliphatic' 1 $sample_1 isotropic 36336 1 9 '2D 1H-15N HSQC IPAP' 1 $sample_1 isotropic 36336 1 10 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36336 1 11 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36336 1 12 '2D 1H-15N HSQC IPAP' 2 $sample_2 isotropic 36336 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 CA C 13 45.589 0.300 . 1 . . . . A 1 GLY CA . 36336 1 2 . 1 . 1 2 2 ASP HA H 1 4.711 0.030 . 1 . . . . A 2 ASP HA . 36336 1 3 . 1 . 1 2 2 ASP HB2 H 1 2.749 0.030 . 1 . . . . A 2 ASP HB2 . 36336 1 4 . 1 . 1 2 2 ASP HB3 H 1 2.749 0.030 . 1 . . . . A 2 ASP HB3 . 36336 1 5 . 1 . 1 2 2 ASP C C 13 176.906 0.300 . 1 . . . . A 2 ASP C . 36336 1 6 . 1 . 1 2 2 ASP CA C 13 54.351 0.300 . 1 . . . . A 2 ASP CA . 36336 1 7 . 1 . 1 2 2 ASP CB C 13 41.541 0.300 . 1 . . . . A 2 ASP CB . 36336 1 8 . 1 . 1 3 3 GLU H H 1 8.880 0.030 . 1 . . . . A 3 GLU H . 36336 1 9 . 1 . 1 3 3 GLU HA H 1 4.112 0.030 . 1 . . . . A 3 GLU HA . 36336 1 10 . 1 . 1 3 3 GLU HB2 H 1 2.049 0.030 . 1 . . . . A 3 GLU HB2 . 36336 1 11 . 1 . 1 3 3 GLU HB3 H 1 2.049 0.030 . 1 . . . . A 3 GLU HB3 . 36336 1 12 . 1 . 1 3 3 GLU HG2 H 1 2.322 0.030 . 1 . . . . A 3 GLU HG2 . 36336 1 13 . 1 . 1 3 3 GLU HG3 H 1 2.322 0.030 . 1 . . . . A 3 GLU HG3 . 36336 1 14 . 1 . 1 3 3 GLU C C 13 178.014 0.300 . 1 . . . . A 3 GLU C . 36336 1 15 . 1 . 1 3 3 GLU CA C 13 58.895 0.300 . 1 . . . . A 3 GLU CA . 36336 1 16 . 1 . 1 3 3 GLU CB C 13 29.394 0.300 . 1 . . . . A 3 GLU CB . 36336 1 17 . 1 . 1 3 3 GLU CG C 13 36.243 0.300 . 1 . . . . A 3 GLU CG . 36336 1 18 . 1 . 1 3 3 GLU N N 15 122.301 0.300 . 1 . . . . A 3 GLU N . 36336 1 19 . 1 . 1 4 4 ALA H H 1 8.411 0.030 . 1 . . . . A 4 ALA H . 36336 1 20 . 1 . 1 4 4 ALA HA H 1 4.089 0.030 . 1 . . . . A 4 ALA HA . 36336 1 21 . 1 . 1 4 4 ALA HB1 H 1 1.453 0.030 . 1 . . . . A 4 ALA HB1 . 36336 1 22 . 1 . 1 4 4 ALA HB2 H 1 1.453 0.030 . 1 . . . . A 4 ALA HB2 . 36336 1 23 . 1 . 1 4 4 ALA HB3 H 1 1.453 0.030 . 1 . . . . A 4 ALA HB3 . 36336 1 24 . 1 . 1 4 4 ALA C C 13 179.992 0.300 . 1 . . . . A 4 ALA C . 36336 1 25 . 1 . 1 4 4 ALA CA C 13 55.009 0.300 . 1 . . . . A 4 ALA CA . 36336 1 26 . 1 . 1 4 4 ALA CB C 13 18.414 0.300 . 1 . . . . A 4 ALA CB . 36336 1 27 . 1 . 1 4 4 ALA N N 15 122.158 0.300 . 1 . . . . A 4 ALA N . 36336 1 28 . 1 . 1 5 5 GLU H H 1 8.133 0.030 . 1 . . . . A 5 GLU H . 36336 1 29 . 1 . 1 5 5 GLU HA H 1 4.057 0.030 . 1 . . . . A 5 GLU HA . 36336 1 30 . 1 . 1 5 5 GLU HB2 H 1 2.137 0.030 . 1 . . . . A 5 GLU HB2 . 36336 1 31 . 1 . 1 5 5 GLU HB3 H 1 2.137 0.030 . 1 . . . . A 5 GLU HB3 . 36336 1 32 . 1 . 1 5 5 GLU C C 13 178.239 0.300 . 1 . . . . A 5 GLU C . 36336 1 33 . 1 . 1 5 5 GLU CA C 13 59.127 0.300 . 1 . . . . A 5 GLU CA . 36336 1 34 . 1 . 1 5 5 GLU CB C 13 29.756 0.300 . 1 . . . . A 5 GLU CB . 36336 1 35 . 1 . 1 5 5 GLU CG C 13 36.795 0.300 . 1 . . . . A 5 GLU CG . 36336 1 36 . 1 . 1 5 5 GLU N N 15 118.517 0.300 . 1 . . . . A 5 GLU N . 36336 1 37 . 1 . 1 6 6 LYS H H 1 7.950 0.030 . 1 . . . . A 6 LYS H . 36336 1 38 . 1 . 1 6 6 LYS HD2 H 1 1.887 0.030 . 1 . . . . A 6 LYS HD2 . 36336 1 39 . 1 . 1 6 6 LYS HD3 H 1 1.887 0.030 . 1 . . . . A 6 LYS HD3 . 36336 1 40 . 1 . 1 6 6 LYS HE2 H 1 3.209 0.030 . 1 . . . . A 6 LYS HE2 . 36336 1 41 . 1 . 1 6 6 LYS HE3 H 1 3.209 0.030 . 1 . . . . A 6 LYS HE3 . 36336 1 42 . 1 . 1 6 6 LYS C C 13 179.680 0.300 . 1 . . . . A 6 LYS C . 36336 1 43 . 1 . 1 6 6 LYS CA C 13 58.591 0.300 . 1 . . . . A 6 LYS CA . 36336 1 44 . 1 . 1 6 6 LYS CB C 13 32.071 0.300 . 1 . . . . A 6 LYS CB . 36336 1 45 . 1 . 1 6 6 LYS CD C 13 30.552 0.300 . 1 . . . . A 6 LYS CD . 36336 1 46 . 1 . 1 6 6 LYS CE C 13 43.486 0.300 . 1 . . . . A 6 LYS CE . 36336 1 47 . 1 . 1 6 6 LYS N N 15 119.582 0.300 . 1 . . . . A 6 LYS N . 36336 1 48 . 1 . 1 7 7 GLN H H 1 8.295 0.030 . 1 . . . . A 7 GLN H . 36336 1 49 . 1 . 1 7 7 GLN HA H 1 4.162 0.030 . 1 . . . . A 7 GLN HA . 36336 1 50 . 1 . 1 7 7 GLN HB2 H 1 1.991 0.030 . 2 . . . . A 7 GLN HB2 . 36336 1 51 . 1 . 1 7 7 GLN HB3 H 1 2.288 0.030 . 2 . . . . A 7 GLN HB3 . 36336 1 52 . 1 . 1 7 7 GLN HG2 H 1 2.335 0.030 . 2 . . . . A 7 GLN HG2 . 36336 1 53 . 1 . 1 7 7 GLN HG3 H 1 2.562 0.030 . 2 . . . . A 7 GLN HG3 . 36336 1 54 . 1 . 1 7 7 GLN HE21 H 1 6.692 0.030 . 2 . . . . A 7 GLN HE21 . 36336 1 55 . 1 . 1 7 7 GLN HE22 H 1 7.537 0.030 . 2 . . . . A 7 GLN HE22 . 36336 1 56 . 1 . 1 7 7 GLN C C 13 178.143 0.300 . 1 . . . . A 7 GLN C . 36336 1 57 . 1 . 1 7 7 GLN CA C 13 58.261 0.300 . 1 . . . . A 7 GLN CA . 36336 1 58 . 1 . 1 7 7 GLN CB C 13 27.712 0.300 . 1 . . . . A 7 GLN CB . 36336 1 59 . 1 . 1 7 7 GLN CG C 13 33.549 0.300 . 1 . . . . A 7 GLN CG . 36336 1 60 . 1 . 1 7 7 GLN N N 15 118.841 0.300 . 1 . . . . A 7 GLN N . 36336 1 61 . 1 . 1 7 7 GLN NE2 N 15 111.072 0.300 . 1 . . . . A 7 GLN NE2 . 36336 1 62 . 1 . 1 8 8 ALA H H 1 7.989 0.030 . 1 . . . . A 8 ALA H . 36336 1 63 . 1 . 1 8 8 ALA HA H 1 3.865 0.030 . 1 . . . . A 8 ALA HA . 36336 1 64 . 1 . 1 8 8 ALA HB1 H 1 1.449 0.030 . 1 . . . . A 8 ALA HB1 . 36336 1 65 . 1 . 1 8 8 ALA HB2 H 1 1.449 0.030 . 1 . . . . A 8 ALA HB2 . 36336 1 66 . 1 . 1 8 8 ALA HB3 H 1 1.449 0.030 . 1 . . . . A 8 ALA HB3 . 36336 1 67 . 1 . 1 8 8 ALA C C 13 179.073 0.300 . 1 . . . . A 8 ALA C . 36336 1 68 . 1 . 1 8 8 ALA CA C 13 55.293 0.300 . 1 . . . . A 8 ALA CA . 36336 1 69 . 1 . 1 8 8 ALA CB C 13 18.347 0.300 . 1 . . . . A 8 ALA CB . 36336 1 70 . 1 . 1 8 8 ALA N N 15 121.811 0.300 . 1 . . . . A 8 ALA N . 36336 1 71 . 1 . 1 9 9 GLU H H 1 7.934 0.030 . 1 . . . . A 9 GLU H . 36336 1 72 . 1 . 1 9 9 GLU HA H 1 3.651 0.030 . 1 . . . . A 9 GLU HA . 36336 1 73 . 1 . 1 9 9 GLU HB2 H 1 2.208 0.030 . 1 . . . . A 9 GLU HB2 . 36336 1 74 . 1 . 1 9 9 GLU HB3 H 1 2.208 0.030 . 1 . . . . A 9 GLU HB3 . 36336 1 75 . 1 . 1 9 9 GLU HG2 H 1 2.204 0.030 . 2 . . . . A 9 GLU HG2 . 36336 1 76 . 1 . 1 9 9 GLU HG3 H 1 2.501 0.030 . 2 . . . . A 9 GLU HG3 . 36336 1 77 . 1 . 1 9 9 GLU C C 13 178.062 0.300 . 1 . . . . A 9 GLU C . 36336 1 78 . 1 . 1 9 9 GLU CA C 13 59.517 0.300 . 1 . . . . A 9 GLU CA . 36336 1 79 . 1 . 1 9 9 GLU CB C 13 29.643 0.300 . 1 . . . . A 9 GLU CB . 36336 1 80 . 1 . 1 9 9 GLU CG C 13 36.638 0.300 . 1 . . . . A 9 GLU CG . 36336 1 81 . 1 . 1 9 9 GLU N N 15 117.521 0.300 . 1 . . . . A 9 GLU N . 36336 1 82 . 1 . 1 10 10 ARG H H 1 7.874 0.030 . 1 . . . . A 10 ARG H . 36336 1 83 . 1 . 1 10 10 ARG HA H 1 4.083 0.030 . 1 . . . . A 10 ARG HA . 36336 1 84 . 1 . 1 10 10 ARG HB2 H 1 1.998 0.030 . 1 . . . . A 10 ARG HB2 . 36336 1 85 . 1 . 1 10 10 ARG HB3 H 1 1.998 0.030 . 1 . . . . A 10 ARG HB3 . 36336 1 86 . 1 . 1 10 10 ARG HG2 H 1 1.600 0.030 . 2 . . . . A 10 ARG HG2 . 36336 1 87 . 1 . 1 10 10 ARG HG3 H 1 1.769 0.030 . 2 . . . . A 10 ARG HG3 . 36336 1 88 . 1 . 1 10 10 ARG HD2 H 1 3.118 0.030 . 2 . . . . A 10 ARG HD2 . 36336 1 89 . 1 . 1 10 10 ARG HD3 H 1 3.322 0.030 . 2 . . . . A 10 ARG HD3 . 36336 1 90 . 1 . 1 10 10 ARG HE H 1 8.329 0.030 . 1 . . . . A 10 ARG HE . 36336 1 91 . 1 . 1 10 10 ARG C C 13 178.352 0.300 . 1 . . . . A 10 ARG C . 36336 1 92 . 1 . 1 10 10 ARG CA C 13 58.290 0.300 . 1 . . . . A 10 ARG CA . 36336 1 93 . 1 . 1 10 10 ARG CB C 13 29.649 0.300 . 1 . . . . A 10 ARG CB . 36336 1 94 . 1 . 1 10 10 ARG CG C 13 26.764 0.300 . 1 . . . . A 10 ARG CG . 36336 1 95 . 1 . 1 10 10 ARG CD C 13 43.200 0.300 . 1 . . . . A 10 ARG CD . 36336 1 96 . 1 . 1 10 10 ARG N N 15 120.305 0.300 . 1 . . . . A 10 ARG N . 36336 1 97 . 1 . 1 11 11 ALA H H 1 8.142 0.030 . 1 . . . . A 11 ALA H . 36336 1 98 . 1 . 1 11 11 ALA HA H 1 3.911 0.030 . 1 . . . . A 11 ALA HA . 36336 1 99 . 1 . 1 11 11 ALA HB1 H 1 1.333 0.030 . 1 . . . . A 11 ALA HB1 . 36336 1 100 . 1 . 1 11 11 ALA HB2 H 1 1.333 0.030 . 1 . . . . A 11 ALA HB2 . 36336 1 101 . 1 . 1 11 11 ALA HB3 H 1 1.333 0.030 . 1 . . . . A 11 ALA HB3 . 36336 1 102 . 1 . 1 11 11 ALA C C 13 178.124 0.300 . 1 . . . . A 11 ALA C . 36336 1 103 . 1 . 1 11 11 ALA CA C 13 55.340 0.300 . 1 . . . . A 11 ALA CA . 36336 1 104 . 1 . 1 11 11 ALA CB C 13 19.085 0.300 . 1 . . . . A 11 ALA CB . 36336 1 105 . 1 . 1 11 11 ALA N N 15 120.653 0.300 . 1 . . . . A 11 ALA N . 36336 1 106 . 1 . 1 12 12 LEU H H 1 7.857 0.030 . 1 . . . . A 12 LEU H . 36336 1 107 . 1 . 1 12 12 LEU HA H 1 3.894 0.030 . 1 . . . . A 12 LEU HA . 36336 1 108 . 1 . 1 12 12 LEU HB2 H 1 1.263 0.030 . 2 . . . . A 12 LEU HB2 . 36336 1 109 . 1 . 1 12 12 LEU HB3 H 1 1.520 0.030 . 2 . . . . A 12 LEU HB3 . 36336 1 110 . 1 . 1 12 12 LEU HG H 1 1.258 0.030 . 1 . . . . A 12 LEU HG . 36336 1 111 . 1 . 1 12 12 LEU HD11 H 1 0.622 0.030 . 2 . . . . A 12 LEU HD11 . 36336 1 112 . 1 . 1 12 12 LEU HD12 H 1 0.622 0.030 . 2 . . . . A 12 LEU HD12 . 36336 1 113 . 1 . 1 12 12 LEU HD13 H 1 0.622 0.030 . 2 . . . . A 12 LEU HD13 . 36336 1 114 . 1 . 1 12 12 LEU HD21 H 1 0.694 0.030 . 2 . . . . A 12 LEU HD21 . 36336 1 115 . 1 . 1 12 12 LEU HD22 H 1 0.694 0.030 . 2 . . . . A 12 LEU HD22 . 36336 1 116 . 1 . 1 12 12 LEU HD23 H 1 0.694 0.030 . 2 . . . . A 12 LEU HD23 . 36336 1 117 . 1 . 1 12 12 LEU C C 13 177.523 0.300 . 1 . . . . A 12 LEU C . 36336 1 118 . 1 . 1 12 12 LEU CA C 13 57.705 0.300 . 1 . . . . A 12 LEU CA . 36336 1 119 . 1 . 1 12 12 LEU CB C 13 41.985 0.300 . 1 . . . . A 12 LEU CB . 36336 1 120 . 1 . 1 12 12 LEU CG C 13 27.285 0.300 . 1 . . . . A 12 LEU CG . 36336 1 121 . 1 . 1 12 12 LEU CD1 C 13 26.426 0.300 . 2 . . . . A 12 LEU CD1 . 36336 1 122 . 1 . 1 12 12 LEU CD2 C 13 24.959 0.300 . 2 . . . . A 12 LEU CD2 . 36336 1 123 . 1 . 1 12 12 LEU N N 15 117.807 0.300 . 1 . . . . A 12 LEU N . 36336 1 124 . 1 . 1 13 13 GLU H H 1 7.963 0.030 . 1 . . . . A 13 GLU H . 36336 1 125 . 1 . 1 13 13 GLU HA H 1 3.646 0.030 . 1 . . . . A 13 GLU HA . 36336 1 126 . 1 . 1 13 13 GLU HB2 H 1 1.996 0.030 . 2 . . . . A 13 GLU HB2 . 36336 1 127 . 1 . 1 13 13 GLU HB3 H 1 2.078 0.030 . 2 . . . . A 13 GLU HB3 . 36336 1 128 . 1 . 1 13 13 GLU HG2 H 1 2.081 0.030 . 1 . . . . A 13 GLU HG2 . 36336 1 129 . 1 . 1 13 13 GLU HG3 H 1 2.081 0.030 . 1 . . . . A 13 GLU HG3 . 36336 1 130 . 1 . 1 13 13 GLU C C 13 178.282 0.300 . 1 . . . . A 13 GLU C . 36336 1 131 . 1 . 1 13 13 GLU CA C 13 59.434 0.300 . 1 . . . . A 13 GLU CA . 36336 1 132 . 1 . 1 13 13 GLU CB C 13 29.467 0.300 . 1 . . . . A 13 GLU CB . 36336 1 133 . 1 . 1 13 13 GLU CG C 13 36.290 0.300 . 1 . . . . A 13 GLU CG . 36336 1 134 . 1 . 1 13 13 GLU N N 15 118.942 0.300 . 1 . . . . A 13 GLU N . 36336 1 135 . 1 . 1 14 14 LEU H H 1 7.902 0.030 . 1 . . . . A 14 LEU H . 36336 1 136 . 1 . 1 14 14 LEU HA H 1 3.985 0.030 . 1 . . . . A 14 LEU HA . 36336 1 137 . 1 . 1 14 14 LEU HB2 H 1 1.340 0.030 . 2 . . . . A 14 LEU HB2 . 36336 1 138 . 1 . 1 14 14 LEU HB3 H 1 1.905 0.030 . 2 . . . . A 14 LEU HB3 . 36336 1 139 . 1 . 1 14 14 LEU HD11 H 1 0.829 0.030 . 2 . . . . A 14 LEU HD11 . 36336 1 140 . 1 . 1 14 14 LEU HD12 H 1 0.829 0.030 . 2 . . . . A 14 LEU HD12 . 36336 1 141 . 1 . 1 14 14 LEU HD13 H 1 0.829 0.030 . 2 . . . . A 14 LEU HD13 . 36336 1 142 . 1 . 1 14 14 LEU HD21 H 1 0.876 0.030 . 2 . . . . A 14 LEU HD21 . 36336 1 143 . 1 . 1 14 14 LEU HD22 H 1 0.876 0.030 . 2 . . . . A 14 LEU HD22 . 36336 1 144 . 1 . 1 14 14 LEU HD23 H 1 0.876 0.030 . 2 . . . . A 14 LEU HD23 . 36336 1 145 . 1 . 1 14 14 LEU C C 13 179.145 0.300 . 1 . . . . A 14 LEU C . 36336 1 146 . 1 . 1 14 14 LEU CA C 13 58.263 0.300 . 1 . . . . A 14 LEU CA . 36336 1 147 . 1 . 1 14 14 LEU CB C 13 42.426 0.300 . 1 . . . . A 14 LEU CB . 36336 1 148 . 1 . 1 14 14 LEU CD1 C 13 25.471 0.300 . 2 . . . . A 14 LEU CD1 . 36336 1 149 . 1 . 1 14 14 LEU CD2 C 13 24.084 0.300 . 2 . . . . A 14 LEU CD2 . 36336 1 150 . 1 . 1 14 14 LEU N N 15 118.180 0.300 . 1 . . . . A 14 LEU N . 36336 1 151 . 1 . 1 15 15 VAL H H 1 7.718 0.030 . 1 . . . . A 15 VAL H . 36336 1 152 . 1 . 1 15 15 VAL HA H 1 3.955 0.030 . 1 . . . . A 15 VAL HA . 36336 1 153 . 1 . 1 15 15 VAL HB H 1 2.163 0.030 . 1 . . . . A 15 VAL HB . 36336 1 154 . 1 . 1 15 15 VAL HG11 H 1 0.947 0.030 . 2 . . . . A 15 VAL HG11 . 36336 1 155 . 1 . 1 15 15 VAL HG12 H 1 0.947 0.030 . 2 . . . . A 15 VAL HG12 . 36336 1 156 . 1 . 1 15 15 VAL HG13 H 1 0.947 0.030 . 2 . . . . A 15 VAL HG13 . 36336 1 157 . 1 . 1 15 15 VAL HG21 H 1 1.064 0.030 . 2 . . . . A 15 VAL HG21 . 36336 1 158 . 1 . 1 15 15 VAL HG22 H 1 1.064 0.030 . 2 . . . . A 15 VAL HG22 . 36336 1 159 . 1 . 1 15 15 VAL HG23 H 1 1.064 0.030 . 2 . . . . A 15 VAL HG23 . 36336 1 160 . 1 . 1 15 15 VAL C C 13 177.490 0.300 . 1 . . . . A 15 VAL C . 36336 1 161 . 1 . 1 15 15 VAL CA C 13 64.795 0.300 . 1 . . . . A 15 VAL CA . 36336 1 162 . 1 . 1 15 15 VAL CB C 13 31.565 0.300 . 1 . . . . A 15 VAL CB . 36336 1 163 . 1 . 1 15 15 VAL CG1 C 13 22.271 0.300 . 2 . . . . A 15 VAL CG1 . 36336 1 164 . 1 . 1 15 15 VAL CG2 C 13 21.009 0.300 . 2 . . . . A 15 VAL CG2 . 36336 1 165 . 1 . 1 15 15 VAL N N 15 111.013 0.300 . 1 . . . . A 15 VAL N . 36336 1 166 . 1 . 1 16 16 ARG H H 1 8.343 0.030 . 1 . . . . A 16 ARG H . 36336 1 167 . 1 . 1 16 16 ARG HA H 1 4.064 0.030 . 1 . . . . A 16 ARG HA . 36336 1 168 . 1 . 1 16 16 ARG HB2 H 1 1.715 0.030 . 2 . . . . A 16 ARG HB2 . 36336 1 169 . 1 . 1 16 16 ARG HB3 H 1 1.789 0.030 . 2 . . . . A 16 ARG HB3 . 36336 1 170 . 1 . 1 16 16 ARG HG2 H 1 1.565 0.030 . 1 . . . . A 16 ARG HG2 . 36336 1 171 . 1 . 1 16 16 ARG HG3 H 1 1.565 0.030 . 1 . . . . A 16 ARG HG3 . 36336 1 172 . 1 . 1 16 16 ARG HD2 H 1 2.535 0.030 . 2 . . . . A 16 ARG HD2 . 36336 1 173 . 1 . 1 16 16 ARG HD3 H 1 3.050 0.030 . 2 . . . . A 16 ARG HD3 . 36336 1 174 . 1 . 1 16 16 ARG HE H 1 4.062 0.030 . 1 . . . . A 16 ARG HE . 36336 1 175 . 1 . 1 16 16 ARG C C 13 177.904 0.300 . 1 . . . . A 16 ARG C . 36336 1 176 . 1 . 1 16 16 ARG CA C 13 58.949 0.300 . 1 . . . . A 16 ARG CA . 36336 1 177 . 1 . 1 16 16 ARG CB C 13 31.024 0.300 . 1 . . . . A 16 ARG CB . 36336 1 178 . 1 . 1 16 16 ARG CG C 13 27.797 0.300 . 1 . . . . A 16 ARG CG . 36336 1 179 . 1 . 1 16 16 ARG CD C 13 43.695 0.300 . 1 . . . . A 16 ARG CD . 36336 1 180 . 1 . 1 16 16 ARG N N 15 119.919 0.300 . 1 . . . . A 16 ARG N . 36336 1 181 . 1 . 1 17 17 LYS H H 1 7.993 0.030 . 1 . . . . A 17 LYS H . 36336 1 182 . 1 . 1 17 17 LYS HA H 1 4.200 0.030 . 1 . . . . A 17 LYS HA . 36336 1 183 . 1 . 1 17 17 LYS HB2 H 1 1.862 0.030 . 1 . . . . A 17 LYS HB2 . 36336 1 184 . 1 . 1 17 17 LYS HB3 H 1 1.862 0.030 . 1 . . . . A 17 LYS HB3 . 36336 1 185 . 1 . 1 17 17 LYS HG2 H 1 1.437 0.030 . 2 . . . . A 17 LYS HG2 . 36336 1 186 . 1 . 1 17 17 LYS HG3 H 1 1.539 0.030 . 2 . . . . A 17 LYS HG3 . 36336 1 187 . 1 . 1 17 17 LYS HD2 H 1 1.532 0.030 . 1 . . . . A 17 LYS HD2 . 36336 1 188 . 1 . 1 17 17 LYS HD3 H 1 1.532 0.030 . 1 . . . . A 17 LYS HD3 . 36336 1 189 . 1 . 1 17 17 LYS HE2 H 1 2.935 0.030 . 1 . . . . A 17 LYS HE2 . 36336 1 190 . 1 . 1 17 17 LYS HE3 H 1 2.935 0.030 . 1 . . . . A 17 LYS HE3 . 36336 1 191 . 1 . 1 17 17 LYS C C 13 177.072 0.300 . 1 . . . . A 17 LYS C . 36336 1 192 . 1 . 1 17 17 LYS CA C 13 57.775 0.300 . 1 . . . . A 17 LYS CA . 36336 1 193 . 1 . 1 17 17 LYS CB C 13 33.293 0.300 . 1 . . . . A 17 LYS CB . 36336 1 194 . 1 . 1 17 17 LYS CG C 13 25.445 0.300 . 1 . . . . A 17 LYS CG . 36336 1 195 . 1 . 1 17 17 LYS CD C 13 29.556 0.300 . 1 . . . . A 17 LYS CD . 36336 1 196 . 1 . 1 17 17 LYS CE C 13 42.101 0.300 . 1 . . . . A 17 LYS CE . 36336 1 197 . 1 . 1 17 17 LYS N N 15 116.413 0.300 . 1 . . . . A 17 LYS N . 36336 1 198 . 1 . 1 18 18 SER H H 1 7.610 0.030 . 1 . . . . A 18 SER H . 36336 1 199 . 1 . 1 18 18 SER HA H 1 4.952 0.030 . 1 . . . . A 18 SER HA . 36336 1 200 . 1 . 1 18 18 SER HB2 H 1 3.972 0.030 . 1 . . . . A 18 SER HB2 . 36336 1 201 . 1 . 1 18 18 SER HB3 H 1 3.972 0.030 . 1 . . . . A 18 SER HB3 . 36336 1 202 . 1 . 1 18 18 SER CA C 13 55.042 0.300 . 1 . . . . A 18 SER CA . 36336 1 203 . 1 . 1 18 18 SER CB C 13 62.801 0.300 . 1 . . . . A 18 SER CB . 36336 1 204 . 1 . 1 18 18 SER N N 15 114.617 0.300 . 1 . . . . A 18 SER N . 36336 1 205 . 1 . 1 19 19 PRO HA H 1 4.461 0.030 . 1 . . . . A 19 PRO HA . 36336 1 206 . 1 . 1 19 19 PRO HB2 H 1 1.968 0.030 . 2 . . . . A 19 PRO HB2 . 36336 1 207 . 1 . 1 19 19 PRO HB3 H 1 2.417 0.030 . 2 . . . . A 19 PRO HB3 . 36336 1 208 . 1 . 1 19 19 PRO HG2 H 1 2.068 0.030 . 1 . . . . A 19 PRO HG2 . 36336 1 209 . 1 . 1 19 19 PRO HG3 H 1 2.068 0.030 . 1 . . . . A 19 PRO HG3 . 36336 1 210 . 1 . 1 19 19 PRO HD2 H 1 3.835 0.030 . 2 . . . . A 19 PRO HD2 . 36336 1 211 . 1 . 1 19 19 PRO HD3 H 1 4.055 0.030 . 2 . . . . A 19 PRO HD3 . 36336 1 212 . 1 . 1 19 19 PRO C C 13 178.348 0.300 . 1 . . . . A 19 PRO C . 36336 1 213 . 1 . 1 19 19 PRO CA C 13 64.739 0.300 . 1 . . . . A 19 PRO CA . 36336 1 214 . 1 . 1 19 19 PRO CB C 13 32.129 0.300 . 1 . . . . A 19 PRO CB . 36336 1 215 . 1 . 1 19 19 PRO CG C 13 27.279 0.300 . 1 . . . . A 19 PRO CG . 36336 1 216 . 1 . 1 19 19 PRO CD C 13 50.865 0.300 . 1 . . . . A 19 PRO CD . 36336 1 217 . 1 . 1 20 20 ASP H H 1 8.248 0.030 . 1 . . . . A 20 ASP H . 36336 1 218 . 1 . 1 20 20 ASP HA H 1 4.700 0.030 . 1 . . . . A 20 ASP HA . 36336 1 219 . 1 . 1 20 20 ASP HB2 H 1 2.596 0.030 . 2 . . . . A 20 ASP HB2 . 36336 1 220 . 1 . 1 20 20 ASP HB3 H 1 2.748 0.030 . 2 . . . . A 20 ASP HB3 . 36336 1 221 . 1 . 1 20 20 ASP C C 13 176.990 0.300 . 1 . . . . A 20 ASP C . 36336 1 222 . 1 . 1 20 20 ASP CA C 13 55.023 0.300 . 1 . . . . A 20 ASP CA . 36336 1 223 . 1 . 1 20 20 ASP CB C 13 41.721 0.300 . 1 . . . . A 20 ASP CB . 36336 1 224 . 1 . 1 20 20 ASP N N 15 115.735 0.300 . 1 . . . . A 20 ASP N . 36336 1 225 . 1 . 1 21 21 LEU H H 1 8.203 0.030 . 1 . . . . A 21 LEU H . 36336 1 226 . 1 . 1 21 21 LEU HA H 1 3.991 0.030 . 1 . . . . A 21 LEU HA . 36336 1 227 . 1 . 1 21 21 LEU HB2 H 1 1.840 0.030 . 1 . . . . A 21 LEU HB2 . 36336 1 228 . 1 . 1 21 21 LEU HB3 H 1 1.840 0.030 . 1 . . . . A 21 LEU HB3 . 36336 1 229 . 1 . 1 21 21 LEU HG H 1 1.433 0.030 . 1 . . . . A 21 LEU HG . 36336 1 230 . 1 . 1 21 21 LEU HD11 H 1 0.813 0.030 . 1 . . . . A 21 LEU HD11 . 36336 1 231 . 1 . 1 21 21 LEU HD12 H 1 0.813 0.030 . 1 . . . . A 21 LEU HD12 . 36336 1 232 . 1 . 1 21 21 LEU HD13 H 1 0.813 0.030 . 1 . . . . A 21 LEU HD13 . 36336 1 233 . 1 . 1 21 21 LEU HD21 H 1 0.815 0.030 . 1 . . . . A 21 LEU HD21 . 36336 1 234 . 1 . 1 21 21 LEU HD22 H 1 0.815 0.030 . 1 . . . . A 21 LEU HD22 . 36336 1 235 . 1 . 1 21 21 LEU HD23 H 1 0.815 0.030 . 1 . . . . A 21 LEU HD23 . 36336 1 236 . 1 . 1 21 21 LEU C C 13 177.929 0.300 . 1 . . . . A 21 LEU C . 36336 1 237 . 1 . 1 21 21 LEU CA C 13 59.070 0.300 . 1 . . . . A 21 LEU CA . 36336 1 238 . 1 . 1 21 21 LEU CB C 13 41.325 0.300 . 1 . . . . A 21 LEU CB . 36336 1 239 . 1 . 1 21 21 LEU CG C 13 26.993 0.300 . 1 . . . . A 21 LEU CG . 36336 1 240 . 1 . 1 21 21 LEU CD1 C 13 22.379 0.300 . 1 . . . . A 21 LEU CD1 . 36336 1 241 . 1 . 1 21 21 LEU CD2 C 13 22.379 0.300 . 1 . . . . A 21 LEU CD2 . 36336 1 242 . 1 . 1 21 21 LEU N N 15 122.873 0.300 . 1 . . . . A 21 LEU N . 36336 1 243 . 1 . 1 22 22 LEU H H 1 8.226 0.030 . 1 . . . . A 22 LEU H . 36336 1 244 . 1 . 1 22 22 LEU HA H 1 4.070 0.030 . 1 . . . . A 22 LEU HA . 36336 1 245 . 1 . 1 22 22 LEU HB2 H 1 1.334 0.030 . 2 . . . . A 22 LEU HB2 . 36336 1 246 . 1 . 1 22 22 LEU HB3 H 1 2.038 0.030 . 2 . . . . A 22 LEU HB3 . 36336 1 247 . 1 . 1 22 22 LEU HD11 H 1 0.956 0.030 . 2 . . . . A 22 LEU HD11 . 36336 1 248 . 1 . 1 22 22 LEU HD12 H 1 0.956 0.030 . 2 . . . . A 22 LEU HD12 . 36336 1 249 . 1 . 1 22 22 LEU HD13 H 1 0.956 0.030 . 2 . . . . A 22 LEU HD13 . 36336 1 250 . 1 . 1 22 22 LEU HD21 H 1 0.983 0.030 . 2 . . . . A 22 LEU HD21 . 36336 1 251 . 1 . 1 22 22 LEU HD22 H 1 0.983 0.030 . 2 . . . . A 22 LEU HD22 . 36336 1 252 . 1 . 1 22 22 LEU HD23 H 1 0.983 0.030 . 2 . . . . A 22 LEU HD23 . 36336 1 253 . 1 . 1 22 22 LEU C C 13 177.630 0.300 . 1 . . . . A 22 LEU C . 36336 1 254 . 1 . 1 22 22 LEU CA C 13 58.149 0.300 . 1 . . . . A 22 LEU CA . 36336 1 255 . 1 . 1 22 22 LEU CB C 13 41.258 0.300 . 1 . . . . A 22 LEU CB . 36336 1 256 . 1 . 1 22 22 LEU CD1 C 13 22.992 0.300 . 2 . . . . A 22 LEU CD1 . 36336 1 257 . 1 . 1 22 22 LEU CD2 C 13 25.935 0.300 . 2 . . . . A 22 LEU CD2 . 36336 1 258 . 1 . 1 22 22 LEU N N 15 117.235 0.300 . 1 . . . . A 22 LEU N . 36336 1 259 . 1 . 1 23 23 LYS H H 1 7.776 0.030 . 1 . . . . A 23 LYS H . 36336 1 260 . 1 . 1 23 23 LYS HB2 H 1 1.903 0.030 . 1 . . . . A 23 LYS HB2 . 36336 1 261 . 1 . 1 23 23 LYS HB3 H 1 1.903 0.030 . 1 . . . . A 23 LYS HB3 . 36336 1 262 . 1 . 1 23 23 LYS C C 13 179.219 0.300 . 1 . . . . A 23 LYS C . 36336 1 263 . 1 . 1 23 23 LYS CA C 13 60.144 0.300 . 1 . . . . A 23 LYS CA . 36336 1 264 . 1 . 1 23 23 LYS CB C 13 32.316 0.300 . 1 . . . . A 23 LYS CB . 36336 1 265 . 1 . 1 23 23 LYS CG C 13 25.091 0.300 . 1 . . . . A 23 LYS CG . 36336 1 266 . 1 . 1 23 23 LYS CE C 13 41.960 0.300 . 1 . . . . A 23 LYS CE . 36336 1 267 . 1 . 1 23 23 LYS N N 15 118.261 0.300 . 1 . . . . A 23 LYS N . 36336 1 268 . 1 . 1 24 24 LYS H H 1 8.316 0.030 . 1 . . . . A 24 LYS H . 36336 1 269 . 1 . 1 24 24 LYS HA H 1 3.983 0.030 . 1 . . . . A 24 LYS HA . 36336 1 270 . 1 . 1 24 24 LYS HB2 H 1 1.838 0.030 . 1 . . . . A 24 LYS HB2 . 36336 1 271 . 1 . 1 24 24 LYS HB3 H 1 1.838 0.030 . 1 . . . . A 24 LYS HB3 . 36336 1 272 . 1 . 1 24 24 LYS HG2 H 1 1.421 0.030 . 2 . . . . A 24 LYS HG2 . 36336 1 273 . 1 . 1 24 24 LYS HG3 H 1 1.668 0.030 . 2 . . . . A 24 LYS HG3 . 36336 1 274 . 1 . 1 24 24 LYS HD2 H 1 0.806 0.030 . 2 . . . . A 24 LYS HD2 . 36336 1 275 . 1 . 1 24 24 LYS HD3 H 1 1.424 0.030 . 2 . . . . A 24 LYS HD3 . 36336 1 276 . 1 . 1 24 24 LYS HE2 H 1 2.847 0.030 . 1 . . . . A 24 LYS HE2 . 36336 1 277 . 1 . 1 24 24 LYS HE3 H 1 2.847 0.030 . 1 . . . . A 24 LYS HE3 . 36336 1 278 . 1 . 1 24 24 LYS C C 13 179.788 0.300 . 1 . . . . A 24 LYS C . 36336 1 279 . 1 . 1 24 24 LYS CA C 13 59.960 0.300 . 1 . . . . A 24 LYS CA . 36336 1 280 . 1 . 1 24 24 LYS CB C 13 33.055 0.300 . 1 . . . . A 24 LYS CB . 36336 1 281 . 1 . 1 24 24 LYS CG C 13 26.110 0.300 . 1 . . . . A 24 LYS CG . 36336 1 282 . 1 . 1 24 24 LYS CD C 13 26.929 0.300 . 1 . . . . A 24 LYS CD . 36336 1 283 . 1 . 1 24 24 LYS CE C 13 41.862 0.300 . 1 . . . . A 24 LYS CE . 36336 1 284 . 1 . 1 24 24 LYS N N 15 118.765 0.300 . 1 . . . . A 24 LYS N . 36336 1 285 . 1 . 1 25 25 LEU H H 1 8.549 0.030 . 1 . . . . A 25 LEU H . 36336 1 286 . 1 . 1 25 25 LEU HA H 1 3.991 0.030 . 1 . . . . A 25 LEU HA . 36336 1 287 . 1 . 1 25 25 LEU HB2 H 1 1.343 0.030 . 2 . . . . A 25 LEU HB2 . 36336 1 288 . 1 . 1 25 25 LEU HB3 H 1 1.909 0.030 . 2 . . . . A 25 LEU HB3 . 36336 1 289 . 1 . 1 25 25 LEU HD11 H 1 0.490 0.030 . 2 . . . . A 25 LEU HD11 . 36336 1 290 . 1 . 1 25 25 LEU HD12 H 1 0.490 0.030 . 2 . . . . A 25 LEU HD12 . 36336 1 291 . 1 . 1 25 25 LEU HD13 H 1 0.490 0.030 . 2 . . . . A 25 LEU HD13 . 36336 1 292 . 1 . 1 25 25 LEU HD21 H 1 0.536 0.030 . 2 . . . . A 25 LEU HD21 . 36336 1 293 . 1 . 1 25 25 LEU HD22 H 1 0.536 0.030 . 2 . . . . A 25 LEU HD22 . 36336 1 294 . 1 . 1 25 25 LEU HD23 H 1 0.536 0.030 . 2 . . . . A 25 LEU HD23 . 36336 1 295 . 1 . 1 25 25 LEU C C 13 178.930 0.300 . 1 . . . . A 25 LEU C . 36336 1 296 . 1 . 1 25 25 LEU CA C 13 58.561 0.300 . 1 . . . . A 25 LEU CA . 36336 1 297 . 1 . 1 25 25 LEU CB C 13 42.355 0.300 . 1 . . . . A 25 LEU CB . 36336 1 298 . 1 . 1 25 25 LEU CD1 C 13 24.457 0.300 . 2 . . . . A 25 LEU CD1 . 36336 1 299 . 1 . 1 25 25 LEU CD2 C 13 26.215 0.300 . 2 . . . . A 25 LEU CD2 . 36336 1 300 . 1 . 1 25 25 LEU N N 15 122.869 0.300 . 1 . . . . A 25 LEU N . 36336 1 301 . 1 . 1 26 26 LEU H H 1 8.357 0.030 . 1 . . . . A 26 LEU H . 36336 1 302 . 1 . 1 26 26 LEU HA H 1 3.998 0.030 . 1 . . . . A 26 LEU HA . 36336 1 303 . 1 . 1 26 26 LEU HB2 H 1 1.279 0.030 . 2 . . . . A 26 LEU HB2 . 36336 1 304 . 1 . 1 26 26 LEU HB3 H 1 2.120 0.030 . 2 . . . . A 26 LEU HB3 . 36336 1 305 . 1 . 1 26 26 LEU HG H 1 0.900 0.030 . 1 . . . . A 26 LEU HG . 36336 1 306 . 1 . 1 26 26 LEU HD11 H 1 0.916 0.030 . 1 . . . . A 26 LEU HD11 . 36336 1 307 . 1 . 1 26 26 LEU HD12 H 1 0.916 0.030 . 1 . . . . A 26 LEU HD12 . 36336 1 308 . 1 . 1 26 26 LEU HD13 H 1 0.916 0.030 . 1 . . . . A 26 LEU HD13 . 36336 1 309 . 1 . 1 26 26 LEU HD21 H 1 0.918 0.030 . 1 . . . . A 26 LEU HD21 . 36336 1 310 . 1 . 1 26 26 LEU HD22 H 1 0.918 0.030 . 1 . . . . A 26 LEU HD22 . 36336 1 311 . 1 . 1 26 26 LEU HD23 H 1 0.918 0.030 . 1 . . . . A 26 LEU HD23 . 36336 1 312 . 1 . 1 26 26 LEU C C 13 179.505 0.300 . 1 . . . . A 26 LEU C . 36336 1 313 . 1 . 1 26 26 LEU CA C 13 58.326 0.300 . 1 . . . . A 26 LEU CA . 36336 1 314 . 1 . 1 26 26 LEU CB C 13 41.413 0.300 . 1 . . . . A 26 LEU CB . 36336 1 315 . 1 . 1 26 26 LEU CG C 13 26.372 0.300 . 1 . . . . A 26 LEU CG . 36336 1 316 . 1 . 1 26 26 LEU CD1 C 13 22.955 0.300 . 1 . . . . A 26 LEU CD1 . 36336 1 317 . 1 . 1 26 26 LEU CD2 C 13 22.955 0.300 . 1 . . . . A 26 LEU CD2 . 36336 1 318 . 1 . 1 26 26 LEU N N 15 118.656 0.300 . 1 . . . . A 26 LEU N . 36336 1 319 . 1 . 1 27 27 GLU H H 1 7.965 0.030 . 1 . . . . A 27 GLU H . 36336 1 320 . 1 . 1 27 27 GLU HA H 1 4.115 0.030 . 1 . . . . A 27 GLU HA . 36336 1 321 . 1 . 1 27 27 GLU HB2 H 1 2.069 0.030 . 1 . . . . A 27 GLU HB2 . 36336 1 322 . 1 . 1 27 27 GLU HB3 H 1 2.069 0.030 . 1 . . . . A 27 GLU HB3 . 36336 1 323 . 1 . 1 27 27 GLU HG2 H 1 2.329 0.030 . 1 . . . . A 27 GLU HG2 . 36336 1 324 . 1 . 1 27 27 GLU HG3 H 1 2.329 0.030 . 1 . . . . A 27 GLU HG3 . 36336 1 325 . 1 . 1 27 27 GLU C C 13 179.205 0.300 . 1 . . . . A 27 GLU C . 36336 1 326 . 1 . 1 27 27 GLU CA C 13 58.924 0.300 . 1 . . . . A 27 GLU CA . 36336 1 327 . 1 . 1 27 27 GLU CB C 13 29.312 0.300 . 1 . . . . A 27 GLU CB . 36336 1 328 . 1 . 1 27 27 GLU CG C 13 36.391 0.300 . 1 . . . . A 27 GLU CG . 36336 1 329 . 1 . 1 27 27 GLU N N 15 118.742 0.300 . 1 . . . . A 27 GLU N . 36336 1 330 . 1 . 1 28 28 ALA H H 1 8.290 0.030 . 1 . . . . A 28 ALA H . 36336 1 331 . 1 . 1 28 28 ALA HA H 1 4.183 0.030 . 1 . . . . A 28 ALA HA . 36336 1 332 . 1 . 1 28 28 ALA HB1 H 1 1.500 0.030 . 1 . . . . A 28 ALA HB1 . 36336 1 333 . 1 . 1 28 28 ALA HB2 H 1 1.500 0.030 . 1 . . . . A 28 ALA HB2 . 36336 1 334 . 1 . 1 28 28 ALA HB3 H 1 1.500 0.030 . 1 . . . . A 28 ALA HB3 . 36336 1 335 . 1 . 1 28 28 ALA C C 13 179.915 0.300 . 1 . . . . A 28 ALA C . 36336 1 336 . 1 . 1 28 28 ALA CA C 13 55.064 0.300 . 1 . . . . A 28 ALA CA . 36336 1 337 . 1 . 1 28 28 ALA CB C 13 18.151 0.300 . 1 . . . . A 28 ALA CB . 36336 1 338 . 1 . 1 28 28 ALA N N 15 124.157 0.300 . 1 . . . . A 28 ALA N . 36336 1 339 . 1 . 1 29 29 MET H H 1 8.464 0.030 . 1 . . . . A 29 MET H . 36336 1 340 . 1 . 1 29 29 MET HA H 1 3.735 0.030 . 1 . . . . A 29 MET HA . 36336 1 341 . 1 . 1 29 29 MET HB2 H 1 2.193 0.030 . 2 . . . . A 29 MET HB2 . 36336 1 342 . 1 . 1 29 29 MET HB3 H 1 2.290 0.030 . 2 . . . . A 29 MET HB3 . 36336 1 343 . 1 . 1 29 29 MET HG2 H 1 2.290 0.030 . 2 . . . . A 29 MET HG2 . 36336 1 344 . 1 . 1 29 29 MET HG3 H 1 2.604 0.030 . 2 . . . . A 29 MET HG3 . 36336 1 345 . 1 . 1 29 29 MET HE1 H 1 1.921 0.030 . 1 . . . . A 29 MET HE1 . 36336 1 346 . 1 . 1 29 29 MET HE2 H 1 1.921 0.030 . 1 . . . . A 29 MET HE2 . 36336 1 347 . 1 . 1 29 29 MET HE3 H 1 1.921 0.030 . 1 . . . . A 29 MET HE3 . 36336 1 348 . 1 . 1 29 29 MET C C 13 177.769 0.300 . 1 . . . . A 29 MET C . 36336 1 349 . 1 . 1 29 29 MET CA C 13 59.197 0.300 . 1 . . . . A 29 MET CA . 36336 1 350 . 1 . 1 29 29 MET CB C 13 33.502 0.300 . 1 . . . . A 29 MET CB . 36336 1 351 . 1 . 1 29 29 MET CG C 13 31.140 0.300 . 1 . . . . A 29 MET CG . 36336 1 352 . 1 . 1 29 29 MET CE C 13 16.560 0.300 . 1 . . . . A 29 MET CE . 36336 1 353 . 1 . 1 29 29 MET N N 15 117.324 0.300 . 1 . . . . A 29 MET N . 36336 1 354 . 1 . 1 30 30 ALA H H 1 7.991 0.030 . 1 . . . . A 30 ALA H . 36336 1 355 . 1 . 1 30 30 ALA HA H 1 3.900 0.030 . 1 . . . . A 30 ALA HA . 36336 1 356 . 1 . 1 30 30 ALA HB1 H 1 1.513 0.030 . 1 . . . . A 30 ALA HB1 . 36336 1 357 . 1 . 1 30 30 ALA HB2 H 1 1.513 0.030 . 1 . . . . A 30 ALA HB2 . 36336 1 358 . 1 . 1 30 30 ALA HB3 H 1 1.513 0.030 . 1 . . . . A 30 ALA HB3 . 36336 1 359 . 1 . 1 30 30 ALA C C 13 179.469 0.300 . 1 . . . . A 30 ALA C . 36336 1 360 . 1 . 1 30 30 ALA CA C 13 55.570 0.300 . 1 . . . . A 30 ALA CA . 36336 1 361 . 1 . 1 30 30 ALA CB C 13 18.677 0.300 . 1 . . . . A 30 ALA CB . 36336 1 362 . 1 . 1 30 30 ALA N N 15 120.066 0.300 . 1 . . . . A 30 ALA N . 36336 1 363 . 1 . 1 31 31 GLU H H 1 7.917 0.030 . 1 . . . . A 31 GLU H . 36336 1 364 . 1 . 1 31 31 GLU HA H 1 4.048 0.030 . 1 . . . . A 31 GLU HA . 36336 1 365 . 1 . 1 31 31 GLU HB2 H 1 2.140 0.030 . 2 . . . . A 31 GLU HB2 . 36336 1 366 . 1 . 1 31 31 GLU HB3 H 1 2.219 0.030 . 2 . . . . A 31 GLU HB3 . 36336 1 367 . 1 . 1 31 31 GLU HG2 H 1 2.357 0.030 . 1 . . . . A 31 GLU HG2 . 36336 1 368 . 1 . 1 31 31 GLU HG3 H 1 2.357 0.030 . 1 . . . . A 31 GLU HG3 . 36336 1 369 . 1 . 1 31 31 GLU C C 13 179.031 0.300 . 1 . . . . A 31 GLU C . 36336 1 370 . 1 . 1 31 31 GLU CA C 13 59.273 0.300 . 1 . . . . A 31 GLU CA . 36336 1 371 . 1 . 1 31 31 GLU CB C 13 29.330 0.300 . 1 . . . . A 31 GLU CB . 36336 1 372 . 1 . 1 31 31 GLU CG C 13 35.738 0.300 . 1 . . . . A 31 GLU CG . 36336 1 373 . 1 . 1 31 31 GLU N N 15 118.385 0.300 . 1 . . . . A 31 GLU N . 36336 1 374 . 1 . 1 32 32 GLU H H 1 7.899 0.030 . 1 . . . . A 32 GLU H . 36336 1 375 . 1 . 1 32 32 GLU HA H 1 4.292 0.030 . 1 . . . . A 32 GLU HA . 36336 1 376 . 1 . 1 32 32 GLU HB2 H 1 1.912 0.030 . 1 . . . . A 32 GLU HB2 . 36336 1 377 . 1 . 1 32 32 GLU HB3 H 1 1.912 0.030 . 1 . . . . A 32 GLU HB3 . 36336 1 378 . 1 . 1 32 32 GLU HG2 H 1 2.060 0.030 . 2 . . . . A 32 GLU HG2 . 36336 1 379 . 1 . 1 32 32 GLU HG3 H 1 2.236 0.030 . 2 . . . . A 32 GLU HG3 . 36336 1 380 . 1 . 1 32 32 GLU C C 13 178.592 0.300 . 1 . . . . A 32 GLU C . 36336 1 381 . 1 . 1 32 32 GLU CA C 13 58.368 0.300 . 1 . . . . A 32 GLU CA . 36336 1 382 . 1 . 1 32 32 GLU CB C 13 28.637 0.300 . 1 . . . . A 32 GLU CB . 36336 1 383 . 1 . 1 32 32 GLU CG C 13 34.999 0.300 . 1 . . . . A 32 GLU CG . 36336 1 384 . 1 . 1 32 32 GLU N N 15 121.217 0.300 . 1 . . . . A 32 GLU N . 36336 1 385 . 1 . 1 33 33 LEU H H 1 8.425 0.030 . 1 . . . . A 33 LEU H . 36336 1 386 . 1 . 1 33 33 LEU HA H 1 3.920 0.030 . 1 . . . . A 33 LEU HA . 36336 1 387 . 1 . 1 33 33 LEU HB2 H 1 1.131 0.030 . 2 . . . . A 33 LEU HB2 . 36336 1 388 . 1 . 1 33 33 LEU HB3 H 1 1.866 0.030 . 2 . . . . A 33 LEU HB3 . 36336 1 389 . 1 . 1 33 33 LEU HG H 1 1.918 0.030 . 1 . . . . A 33 LEU HG . 36336 1 390 . 1 . 1 33 33 LEU HD11 H 1 0.790 0.030 . 2 . . . . A 33 LEU HD11 . 36336 1 391 . 1 . 1 33 33 LEU HD12 H 1 0.790 0.030 . 2 . . . . A 33 LEU HD12 . 36336 1 392 . 1 . 1 33 33 LEU HD13 H 1 0.790 0.030 . 2 . . . . A 33 LEU HD13 . 36336 1 393 . 1 . 1 33 33 LEU HD21 H 1 0.816 0.030 . 2 . . . . A 33 LEU HD21 . 36336 1 394 . 1 . 1 33 33 LEU HD22 H 1 0.816 0.030 . 2 . . . . A 33 LEU HD22 . 36336 1 395 . 1 . 1 33 33 LEU HD23 H 1 0.816 0.030 . 2 . . . . A 33 LEU HD23 . 36336 1 396 . 1 . 1 33 33 LEU C C 13 179.533 0.300 . 1 . . . . A 33 LEU C . 36336 1 397 . 1 . 1 33 33 LEU CA C 13 58.001 0.300 . 1 . . . . A 33 LEU CA . 36336 1 398 . 1 . 1 33 33 LEU CB C 13 41.910 0.300 . 1 . . . . A 33 LEU CB . 36336 1 399 . 1 . 1 33 33 LEU CG C 13 27.464 0.300 . 1 . . . . A 33 LEU CG . 36336 1 400 . 1 . 1 33 33 LEU CD1 C 13 22.166 0.300 . 2 . . . . A 33 LEU CD1 . 36336 1 401 . 1 . 1 33 33 LEU CD2 C 13 26.536 0.300 . 2 . . . . A 33 LEU CD2 . 36336 1 402 . 1 . 1 33 33 LEU N N 15 118.437 0.300 . 1 . . . . A 33 LEU N . 36336 1 403 . 1 . 1 34 34 LYS H H 1 8.194 0.030 . 1 . . . . A 34 LYS H . 36336 1 404 . 1 . 1 34 34 LYS HA H 1 4.030 0.030 . 1 . . . . A 34 LYS HA . 36336 1 405 . 1 . 1 34 34 LYS HB2 H 1 1.902 0.030 . 2 . . . . A 34 LYS HB2 . 36336 1 406 . 1 . 1 34 34 LYS HB3 H 1 2.031 0.030 . 2 . . . . A 34 LYS HB3 . 36336 1 407 . 1 . 1 34 34 LYS HE2 H 1 2.964 0.030 . 1 . . . . A 34 LYS HE2 . 36336 1 408 . 1 . 1 34 34 LYS HE3 H 1 2.964 0.030 . 1 . . . . A 34 LYS HE3 . 36336 1 409 . 1 . 1 34 34 LYS C C 13 181.348 0.300 . 1 . . . . A 34 LYS C . 36336 1 410 . 1 . 1 34 34 LYS CA C 13 59.916 0.300 . 1 . . . . A 34 LYS CA . 36336 1 411 . 1 . 1 34 34 LYS CB C 13 32.190 0.300 . 1 . . . . A 34 LYS CB . 36336 1 412 . 1 . 1 34 34 LYS CG C 13 24.926 0.300 . 1 . . . . A 34 LYS CG . 36336 1 413 . 1 . 1 34 34 LYS CD C 13 24.929 0.300 . 1 . . . . A 34 LYS CD . 36336 1 414 . 1 . 1 34 34 LYS CE C 13 42.080 0.300 . 1 . . . . A 34 LYS CE . 36336 1 415 . 1 . 1 34 34 LYS N N 15 121.302 0.300 . 1 . . . . A 34 LYS N . 36336 1 416 . 1 . 1 35 35 ARG H H 1 8.025 0.030 . 1 . . . . A 35 ARG H . 36336 1 417 . 1 . 1 35 35 ARG HA H 1 4.046 0.030 . 1 . . . . A 35 ARG HA . 36336 1 418 . 1 . 1 35 35 ARG HB2 H 1 2.143 0.030 . 1 . . . . A 35 ARG HB2 . 36336 1 419 . 1 . 1 35 35 ARG HB3 H 1 2.143 0.030 . 1 . . . . A 35 ARG HB3 . 36336 1 420 . 1 . 1 35 35 ARG HG2 H 1 1.650 0.030 . 2 . . . . A 35 ARG HG2 . 36336 1 421 . 1 . 1 35 35 ARG HG3 H 1 1.880 0.030 . 2 . . . . A 35 ARG HG3 . 36336 1 422 . 1 . 1 35 35 ARG HD2 H 1 3.222 0.030 . 1 . . . . A 35 ARG HD2 . 36336 1 423 . 1 . 1 35 35 ARG HD3 H 1 3.222 0.030 . 1 . . . . A 35 ARG HD3 . 36336 1 424 . 1 . 1 35 35 ARG HE H 1 4.727 0.030 . 1 . . . . A 35 ARG HE . 36336 1 425 . 1 . 1 35 35 ARG C C 13 178.543 0.300 . 1 . . . . A 35 ARG C . 36336 1 426 . 1 . 1 35 35 ARG CA C 13 59.691 0.300 . 1 . . . . A 35 ARG CA . 36336 1 427 . 1 . 1 35 35 ARG CB C 13 30.022 0.300 . 1 . . . . A 35 ARG CB . 36336 1 428 . 1 . 1 35 35 ARG CG C 13 27.899 0.300 . 1 . . . . A 35 ARG CG . 36336 1 429 . 1 . 1 35 35 ARG CD C 13 43.594 0.300 . 1 . . . . A 35 ARG CD . 36336 1 430 . 1 . 1 35 35 ARG N N 15 123.004 0.300 . 1 . . . . A 35 ARG N . 36336 1 431 . 1 . 1 36 36 GLN H H 1 7.662 0.030 . 1 . . . . A 36 GLN H . 36336 1 432 . 1 . 1 36 36 GLN HA H 1 4.220 0.030 . 1 . . . . A 36 GLN HA . 36336 1 433 . 1 . 1 36 36 GLN HB2 H 1 2.066 0.030 . 2 . . . . A 36 GLN HB2 . 36336 1 434 . 1 . 1 36 36 GLN HB3 H 1 2.375 0.030 . 2 . . . . A 36 GLN HB3 . 36336 1 435 . 1 . 1 36 36 GLN HG2 H 1 2.692 0.030 . 1 . . . . A 36 GLN HG2 . 36336 1 436 . 1 . 1 36 36 GLN HG3 H 1 2.692 0.030 . 1 . . . . A 36 GLN HG3 . 36336 1 437 . 1 . 1 36 36 GLN HE21 H 1 6.545 0.030 . 2 . . . . A 36 GLN HE21 . 36336 1 438 . 1 . 1 36 36 GLN HE22 H 1 8.198 0.030 . 2 . . . . A 36 GLN HE22 . 36336 1 439 . 1 . 1 36 36 GLN C C 13 176.494 0.300 . 1 . . . . A 36 GLN C . 36336 1 440 . 1 . 1 36 36 GLN CA C 13 56.374 0.300 . 1 . . . . A 36 GLN CA . 36336 1 441 . 1 . 1 36 36 GLN CB C 13 29.086 0.300 . 1 . . . . A 36 GLN CB . 36336 1 442 . 1 . 1 36 36 GLN CG C 13 33.468 0.300 . 1 . . . . A 36 GLN CG . 36336 1 443 . 1 . 1 36 36 GLN N N 15 115.826 0.300 . 1 . . . . A 36 GLN N . 36336 1 444 . 1 . 1 36 36 GLN NE2 N 15 111.439 0.300 . 1 . . . . A 36 GLN NE2 . 36336 1 445 . 1 . 1 37 37 GLY H H 1 7.935 0.030 . 1 . . . . A 37 GLY H . 36336 1 446 . 1 . 1 37 37 GLY HA2 H 1 3.813 0.030 . 2 . . . . A 37 GLY HA2 . 36336 1 447 . 1 . 1 37 37 GLY HA3 H 1 4.213 0.030 . 2 . . . . A 37 GLY HA3 . 36336 1 448 . 1 . 1 37 37 GLY C C 13 175.268 0.300 . 1 . . . . A 37 GLY C . 36336 1 449 . 1 . 1 37 37 GLY CA C 13 45.580 0.300 . 1 . . . . A 37 GLY CA . 36336 1 450 . 1 . 1 37 37 GLY N N 15 107.166 0.300 . 1 . . . . A 37 GLY N . 36336 1 451 . 1 . 1 38 38 LYS H H 1 7.703 0.030 . 1 . . . . A 38 LYS H . 36336 1 452 . 1 . 1 38 38 LYS HA H 1 4.376 0.030 . 1 . . . . A 38 LYS HA . 36336 1 453 . 1 . 1 38 38 LYS HB2 H 1 1.523 0.030 . 2 . . . . A 38 LYS HB2 . 36336 1 454 . 1 . 1 38 38 LYS HB3 H 1 1.763 0.030 . 2 . . . . A 38 LYS HB3 . 36336 1 455 . 1 . 1 38 38 LYS HG2 H 1 1.481 0.030 . 1 . . . . A 38 LYS HG2 . 36336 1 456 . 1 . 1 38 38 LYS HG3 H 1 1.481 0.030 . 1 . . . . A 38 LYS HG3 . 36336 1 457 . 1 . 1 38 38 LYS HD2 H 1 1.584 0.030 . 1 . . . . A 38 LYS HD2 . 36336 1 458 . 1 . 1 38 38 LYS HD3 H 1 1.584 0.030 . 1 . . . . A 38 LYS HD3 . 36336 1 459 . 1 . 1 38 38 LYS C C 13 175.872 0.300 . 1 . . . . A 38 LYS C . 36336 1 460 . 1 . 1 38 38 LYS CA C 13 55.390 0.300 . 1 . . . . A 38 LYS CA . 36336 1 461 . 1 . 1 38 38 LYS CB C 13 31.924 0.300 . 1 . . . . A 38 LYS CB . 36336 1 462 . 1 . 1 38 38 LYS CG C 13 25.894 0.300 . 1 . . . . A 38 LYS CG . 36336 1 463 . 1 . 1 38 38 LYS CD C 13 27.997 0.300 . 1 . . . . A 38 LYS CD . 36336 1 464 . 1 . 1 38 38 LYS CE C 13 43.695 0.300 . 1 . . . . A 38 LYS CE . 36336 1 465 . 1 . 1 38 38 LYS N N 15 119.233 0.300 . 1 . . . . A 38 LYS N . 36336 1 466 . 1 . 1 39 39 SER H H 1 9.157 0.030 . 1 . . . . A 39 SER H . 36336 1 467 . 1 . 1 39 39 SER HA H 1 4.717 0.030 . 1 . . . . A 39 SER HA . 36336 1 468 . 1 . 1 39 39 SER HB2 H 1 4.385 0.030 . 2 . . . . A 39 SER HB2 . 36336 1 469 . 1 . 1 39 39 SER HB3 H 1 4.049 0.030 . 2 . . . . A 39 SER HB3 . 36336 1 470 . 1 . 1 39 39 SER CA C 13 56.838 0.300 . 1 . . . . A 39 SER CA . 36336 1 471 . 1 . 1 39 39 SER CB C 13 63.298 0.300 . 1 . . . . A 39 SER CB . 36336 1 472 . 1 . 1 39 39 SER N N 15 118.989 0.300 . 1 . . . . A 39 SER N . 36336 1 473 . 1 . 1 40 40 PRO HA H 1 4.177 0.030 . 1 . . . . A 40 PRO HA . 36336 1 474 . 1 . 1 40 40 PRO HB2 H 1 2.010 0.030 . 2 . . . . A 40 PRO HB2 . 36336 1 475 . 1 . 1 40 40 PRO HB3 H 1 2.427 0.030 . 2 . . . . A 40 PRO HB3 . 36336 1 476 . 1 . 1 40 40 PRO HG2 H 1 2.072 0.030 . 2 . . . . A 40 PRO HG2 . 36336 1 477 . 1 . 1 40 40 PRO HG3 H 1 2.227 0.030 . 2 . . . . A 40 PRO HG3 . 36336 1 478 . 1 . 1 40 40 PRO HD2 H 1 3.911 0.030 . 2 . . . . A 40 PRO HD2 . 36336 1 479 . 1 . 1 40 40 PRO HD3 H 1 3.987 0.030 . 2 . . . . A 40 PRO HD3 . 36336 1 480 . 1 . 1 40 40 PRO C C 13 179.454 0.300 . 1 . . . . A 40 PRO C . 36336 1 481 . 1 . 1 40 40 PRO CA C 13 66.310 0.300 . 1 . . . . A 40 PRO CA . 36336 1 482 . 1 . 1 40 40 PRO CB C 13 32.067 0.300 . 1 . . . . A 40 PRO CB . 36336 1 483 . 1 . 1 40 40 PRO CG C 13 28.046 0.300 . 1 . . . . A 40 PRO CG . 36336 1 484 . 1 . 1 40 40 PRO CD C 13 50.354 0.300 . 1 . . . . A 40 PRO CD . 36336 1 485 . 1 . 1 41 41 ASP H H 1 8.393 0.030 . 1 . . . . A 41 ASP H . 36336 1 486 . 1 . 1 41 41 ASP HA H 1 4.434 0.030 . 1 . . . . A 41 ASP HA . 36336 1 487 . 1 . 1 41 41 ASP HB2 H 1 2.606 0.030 . 1 . . . . A 41 ASP HB2 . 36336 1 488 . 1 . 1 41 41 ASP HB3 H 1 2.606 0.030 . 1 . . . . A 41 ASP HB3 . 36336 1 489 . 1 . 1 41 41 ASP C C 13 178.627 0.300 . 1 . . . . A 41 ASP C . 36336 1 490 . 1 . 1 41 41 ASP CA C 13 57.246 0.300 . 1 . . . . A 41 ASP CA . 36336 1 491 . 1 . 1 41 41 ASP CB C 13 40.772 0.300 . 1 . . . . A 41 ASP CB . 36336 1 492 . 1 . 1 41 41 ASP N N 15 116.452 0.300 . 1 . . . . A 41 ASP N . 36336 1 493 . 1 . 1 42 42 GLU H H 1 7.674 0.030 . 1 . . . . A 42 GLU H . 36336 1 494 . 1 . 1 42 42 GLU HA H 1 3.942 0.030 . 1 . . . . A 42 GLU HA . 36336 1 495 . 1 . 1 42 42 GLU HB2 H 1 1.968 0.030 . 2 . . . . A 42 GLU HB2 . 36336 1 496 . 1 . 1 42 42 GLU HB3 H 1 2.413 0.030 . 2 . . . . A 42 GLU HB3 . 36336 1 497 . 1 . 1 42 42 GLU HG2 H 1 2.241 0.030 . 2 . . . . A 42 GLU HG2 . 36336 1 498 . 1 . 1 42 42 GLU HG3 H 1 2.421 0.030 . 2 . . . . A 42 GLU HG3 . 36336 1 499 . 1 . 1 42 42 GLU C C 13 180.025 0.300 . 1 . . . . A 42 GLU C . 36336 1 500 . 1 . 1 42 42 GLU CA C 13 59.421 0.300 . 1 . . . . A 42 GLU CA . 36336 1 501 . 1 . 1 42 42 GLU CB C 13 30.106 0.300 . 1 . . . . A 42 GLU CB . 36336 1 502 . 1 . 1 42 42 GLU CG C 13 37.419 0.300 . 1 . . . . A 42 GLU CG . 36336 1 503 . 1 . 1 42 42 GLU N N 15 121.086 0.300 . 1 . . . . A 42 GLU N . 36336 1 504 . 1 . 1 43 43 ILE H H 1 8.427 0.030 . 1 . . . . A 43 ILE H . 36336 1 505 . 1 . 1 43 43 ILE HA H 1 3.476 0.030 . 1 . . . . A 43 ILE HA . 36336 1 506 . 1 . 1 43 43 ILE HB H 1 1.854 0.030 . 1 . . . . A 43 ILE HB . 36336 1 507 . 1 . 1 43 43 ILE HG12 H 1 0.749 0.030 . 2 . . . . A 43 ILE HG12 . 36336 1 508 . 1 . 1 43 43 ILE HG13 H 1 1.740 0.030 . 2 . . . . A 43 ILE HG13 . 36336 1 509 . 1 . 1 43 43 ILE HG21 H 1 0.919 0.030 . 1 . . . . A 43 ILE HG21 . 36336 1 510 . 1 . 1 43 43 ILE HG22 H 1 0.919 0.030 . 1 . . . . A 43 ILE HG22 . 36336 1 511 . 1 . 1 43 43 ILE HG23 H 1 0.919 0.030 . 1 . . . . A 43 ILE HG23 . 36336 1 512 . 1 . 1 43 43 ILE HD11 H 1 0.679 0.030 . 1 . . . . A 43 ILE HD11 . 36336 1 513 . 1 . 1 43 43 ILE HD12 H 1 0.679 0.030 . 1 . . . . A 43 ILE HD12 . 36336 1 514 . 1 . 1 43 43 ILE HD13 H 1 0.679 0.030 . 1 . . . . A 43 ILE HD13 . 36336 1 515 . 1 . 1 43 43 ILE C C 13 177.074 0.300 . 1 . . . . A 43 ILE C . 36336 1 516 . 1 . 1 43 43 ILE CA C 13 66.160 0.300 . 1 . . . . A 43 ILE CA . 36336 1 517 . 1 . 1 43 43 ILE CB C 13 38.126 0.300 . 1 . . . . A 43 ILE CB . 36336 1 518 . 1 . 1 43 43 ILE CG1 C 13 29.933 0.300 . 1 . . . . A 43 ILE CG1 . 36336 1 519 . 1 . 1 43 43 ILE CG2 C 13 17.604 0.300 . 1 . . . . A 43 ILE CG2 . 36336 1 520 . 1 . 1 43 43 ILE CD1 C 13 13.396 0.300 . 1 . . . . A 43 ILE CD1 . 36336 1 521 . 1 . 1 43 43 ILE N N 15 121.481 0.300 . 1 . . . . A 43 ILE N . 36336 1 522 . 1 . 1 44 44 GLN H H 1 8.125 0.030 . 1 . . . . A 44 GLN H . 36336 1 523 . 1 . 1 44 44 GLN HA H 1 3.833 0.030 . 1 . . . . A 44 GLN HA . 36336 1 524 . 1 . 1 44 44 GLN HB2 H 1 2.177 0.030 . 1 . . . . A 44 GLN HB2 . 36336 1 525 . 1 . 1 44 44 GLN HB3 H 1 2.177 0.030 . 1 . . . . A 44 GLN HB3 . 36336 1 526 . 1 . 1 44 44 GLN HG2 H 1 2.433 0.030 . 1 . . . . A 44 GLN HG2 . 36336 1 527 . 1 . 1 44 44 GLN HG3 H 1 2.433 0.030 . 1 . . . . A 44 GLN HG3 . 36336 1 528 . 1 . 1 44 44 GLN HE21 H 1 6.877 0.030 . 2 . . . . A 44 GLN HE21 . 36336 1 529 . 1 . 1 44 44 GLN HE22 H 1 7.877 0.030 . 2 . . . . A 44 GLN HE22 . 36336 1 530 . 1 . 1 44 44 GLN C C 13 177.865 0.300 . 1 . . . . A 44 GLN C . 36336 1 531 . 1 . 1 44 44 GLN CA C 13 58.896 0.300 . 1 . . . . A 44 GLN CA . 36336 1 532 . 1 . 1 44 44 GLN CB C 13 28.113 0.300 . 1 . . . . A 44 GLN CB . 36336 1 533 . 1 . 1 44 44 GLN N N 15 119.265 0.300 . 1 . . . . A 44 GLN N . 36336 1 534 . 1 . 1 44 44 GLN NE2 N 15 115.357 0.300 . 1 . . . . A 44 GLN NE2 . 36336 1 535 . 1 . 1 45 45 LYS H H 1 7.789 0.030 . 1 . . . . A 45 LYS H . 36336 1 536 . 1 . 1 45 45 LYS HA H 1 4.087 0.030 . 1 . . . . A 45 LYS HA . 36336 1 537 . 1 . 1 45 45 LYS HB2 H 1 1.900 0.030 . 1 . . . . A 45 LYS HB2 . 36336 1 538 . 1 . 1 45 45 LYS HB3 H 1 1.900 0.030 . 1 . . . . A 45 LYS HB3 . 36336 1 539 . 1 . 1 45 45 LYS C C 13 179.010 0.300 . 1 . . . . A 45 LYS C . 36336 1 540 . 1 . 1 45 45 LYS CA C 13 59.335 0.300 . 1 . . . . A 45 LYS CA . 36336 1 541 . 1 . 1 45 45 LYS CB C 13 32.372 0.300 . 1 . . . . A 45 LYS CB . 36336 1 542 . 1 . 1 45 45 LYS CG C 13 25.270 0.300 . 1 . . . . A 45 LYS CG . 36336 1 543 . 1 . 1 45 45 LYS N N 15 117.868 0.300 . 1 . . . . A 45 LYS N . 36336 1 544 . 1 . 1 46 46 ALA H H 1 7.759 0.030 . 1 . . . . A 46 ALA H . 36336 1 545 . 1 . 1 46 46 ALA HA H 1 4.207 0.030 . 1 . . . . A 46 ALA HA . 36336 1 546 . 1 . 1 46 46 ALA HB1 H 1 1.448 0.030 . 1 . . . . A 46 ALA HB1 . 36336 1 547 . 1 . 1 46 46 ALA HB2 H 1 1.448 0.030 . 1 . . . . A 46 ALA HB2 . 36336 1 548 . 1 . 1 46 46 ALA HB3 H 1 1.448 0.030 . 1 . . . . A 46 ALA HB3 . 36336 1 549 . 1 . 1 46 46 ALA C C 13 180.410 0.300 . 1 . . . . A 46 ALA C . 36336 1 550 . 1 . 1 46 46 ALA CA C 13 55.097 0.300 . 1 . . . . A 46 ALA CA . 36336 1 551 . 1 . 1 46 46 ALA CB C 13 18.440 0.300 . 1 . . . . A 46 ALA CB . 36336 1 552 . 1 . 1 46 46 ALA N N 15 121.985 0.300 . 1 . . . . A 46 ALA N . 36336 1 553 . 1 . 1 47 47 LYS H H 1 8.323 0.030 . 1 . . . . A 47 LYS H . 36336 1 554 . 1 . 1 47 47 LYS HA H 1 3.861 0.030 . 1 . . . . A 47 LYS HA . 36336 1 555 . 1 . 1 47 47 LYS HB2 H 1 1.905 0.030 . 2 . . . . A 47 LYS HB2 . 36336 1 556 . 1 . 1 47 47 LYS HB3 H 1 1.930 0.030 . 2 . . . . A 47 LYS HB3 . 36336 1 557 . 1 . 1 47 47 LYS HG2 H 1 1.728 0.030 . 1 . . . . A 47 LYS HG2 . 36336 1 558 . 1 . 1 47 47 LYS HG3 H 1 1.728 0.030 . 1 . . . . A 47 LYS HG3 . 36336 1 559 . 1 . 1 47 47 LYS HD2 H 1 1.624 0.030 . 1 . . . . A 47 LYS HD2 . 36336 1 560 . 1 . 1 47 47 LYS HD3 H 1 1.624 0.030 . 1 . . . . A 47 LYS HD3 . 36336 1 561 . 1 . 1 47 47 LYS HE2 H 1 2.761 0.030 . 1 . . . . A 47 LYS HE2 . 36336 1 562 . 1 . 1 47 47 LYS HE3 H 1 2.761 0.030 . 1 . . . . A 47 LYS HE3 . 36336 1 563 . 1 . 1 47 47 LYS C C 13 178.346 0.300 . 1 . . . . A 47 LYS C . 36336 1 564 . 1 . 1 47 47 LYS CA C 13 60.210 0.300 . 1 . . . . A 47 LYS CA . 36336 1 565 . 1 . 1 47 47 LYS CB C 13 33.207 0.300 . 1 . . . . A 47 LYS CB . 36336 1 566 . 1 . 1 47 47 LYS CG C 13 25.033 0.300 . 1 . . . . A 47 LYS CG . 36336 1 567 . 1 . 1 47 47 LYS CD C 13 30.557 0.300 . 1 . . . . A 47 LYS CD . 36336 1 568 . 1 . 1 47 47 LYS CE C 13 41.456 0.300 . 1 . . . . A 47 LYS CE . 36336 1 569 . 1 . 1 47 47 LYS N N 15 117.823 0.300 . 1 . . . . A 47 LYS N . 36336 1 570 . 1 . 1 48 48 ASP H H 1 8.503 0.030 . 1 . . . . A 48 ASP H . 36336 1 571 . 1 . 1 48 48 ASP HA H 1 4.437 0.030 . 1 . . . . A 48 ASP HA . 36336 1 572 . 1 . 1 48 48 ASP HB2 H 1 2.663 0.030 . 2 . . . . A 48 ASP HB2 . 36336 1 573 . 1 . 1 48 48 ASP HB3 H 1 2.805 0.030 . 2 . . . . A 48 ASP HB3 . 36336 1 574 . 1 . 1 48 48 ASP C C 13 179.181 0.300 . 1 . . . . A 48 ASP C . 36336 1 575 . 1 . 1 48 48 ASP CA C 13 57.522 0.300 . 1 . . . . A 48 ASP CA . 36336 1 576 . 1 . 1 48 48 ASP CB C 13 40.379 0.300 . 1 . . . . A 48 ASP CB . 36336 1 577 . 1 . 1 48 48 ASP N N 15 118.693 0.300 . 1 . . . . A 48 ASP N . 36336 1 578 . 1 . 1 49 49 GLU H H 1 8.226 0.030 . 1 . . . . A 49 GLU H . 36336 1 579 . 1 . 1 49 49 GLU HA H 1 4.063 0.030 . 1 . . . . A 49 GLU HA . 36336 1 580 . 1 . 1 49 49 GLU HG2 H 1 2.423 0.030 . 1 . . . . A 49 GLU HG2 . 36336 1 581 . 1 . 1 49 49 GLU HG3 H 1 2.423 0.030 . 1 . . . . A 49 GLU HG3 . 36336 1 582 . 1 . 1 49 49 GLU C C 13 178.480 0.300 . 1 . . . . A 49 GLU C . 36336 1 583 . 1 . 1 49 49 GLU CA C 13 59.575 0.300 . 1 . . . . A 49 GLU CA . 36336 1 584 . 1 . 1 49 49 GLU CB C 13 29.635 0.300 . 1 . . . . A 49 GLU CB . 36336 1 585 . 1 . 1 49 49 GLU CG C 13 36.588 0.300 . 1 . . . . A 49 GLU CG . 36336 1 586 . 1 . 1 49 49 GLU N N 15 121.815 0.300 . 1 . . . . A 49 GLU N . 36336 1 587 . 1 . 1 50 50 VAL H H 1 7.457 0.030 . 1 . . . . A 50 VAL H . 36336 1 588 . 1 . 1 50 50 VAL HA H 1 3.647 0.030 . 1 . . . . A 50 VAL HA . 36336 1 589 . 1 . 1 50 50 VAL HB H 1 2.046 0.030 . 1 . . . . A 50 VAL HB . 36336 1 590 . 1 . 1 50 50 VAL HG11 H 1 0.932 0.030 . 2 . . . . A 50 VAL HG11 . 36336 1 591 . 1 . 1 50 50 VAL HG12 H 1 0.932 0.030 . 2 . . . . A 50 VAL HG12 . 36336 1 592 . 1 . 1 50 50 VAL HG13 H 1 0.932 0.030 . 2 . . . . A 50 VAL HG13 . 36336 1 593 . 1 . 1 50 50 VAL HG21 H 1 1.139 0.030 . 2 . . . . A 50 VAL HG21 . 36336 1 594 . 1 . 1 50 50 VAL HG22 H 1 1.139 0.030 . 2 . . . . A 50 VAL HG22 . 36336 1 595 . 1 . 1 50 50 VAL HG23 H 1 1.139 0.030 . 2 . . . . A 50 VAL HG23 . 36336 1 596 . 1 . 1 50 50 VAL C C 13 177.089 0.300 . 1 . . . . A 50 VAL C . 36336 1 597 . 1 . 1 50 50 VAL CA C 13 66.996 0.300 . 1 . . . . A 50 VAL CA . 36336 1 598 . 1 . 1 50 50 VAL CB C 13 31.753 0.300 . 1 . . . . A 50 VAL CB . 36336 1 599 . 1 . 1 50 50 VAL CG1 C 13 21.712 0.300 . 2 . . . . A 50 VAL CG1 . 36336 1 600 . 1 . 1 50 50 VAL CG2 C 13 23.434 0.300 . 2 . . . . A 50 VAL CG2 . 36336 1 601 . 1 . 1 50 50 VAL N N 15 117.932 0.300 . 1 . . . . A 50 VAL N . 36336 1 602 . 1 . 1 51 51 LYS H H 1 8.628 0.030 . 1 . . . . A 51 LYS H . 36336 1 603 . 1 . 1 51 51 LYS HA H 1 3.755 0.030 . 1 . . . . A 51 LYS HA . 36336 1 604 . 1 . 1 51 51 LYS HB2 H 1 1.935 0.030 . 2 . . . . A 51 LYS HB2 . 36336 1 605 . 1 . 1 51 51 LYS HB3 H 1 2.011 0.030 . 2 . . . . A 51 LYS HB3 . 36336 1 606 . 1 . 1 51 51 LYS HD2 H 1 1.390 0.030 . 1 . . . . A 51 LYS HD2 . 36336 1 607 . 1 . 1 51 51 LYS HD3 H 1 1.390 0.030 . 1 . . . . A 51 LYS HD3 . 36336 1 608 . 1 . 1 51 51 LYS C C 13 178.197 0.300 . 1 . . . . A 51 LYS C . 36336 1 609 . 1 . 1 51 51 LYS CA C 13 61.067 0.300 . 1 . . . . A 51 LYS CA . 36336 1 610 . 1 . 1 51 51 LYS CB C 13 33.406 0.300 . 1 . . . . A 51 LYS CB . 36336 1 611 . 1 . 1 51 51 LYS CD C 13 29.461 0.300 . 1 . . . . A 51 LYS CD . 36336 1 612 . 1 . 1 51 51 LYS CE C 13 43.846 0.300 . 1 . . . . A 51 LYS CE . 36336 1 613 . 1 . 1 51 51 LYS N N 15 119.388 0.300 . 1 . . . . A 51 LYS N . 36336 1 614 . 1 . 1 52 52 THR H H 1 8.492 0.030 . 1 . . . . A 52 THR H . 36336 1 615 . 1 . 1 52 52 THR HA H 1 4.274 0.030 . 1 . . . . A 52 THR HA . 36336 1 616 . 1 . 1 52 52 THR HB H 1 4.034 0.030 . 1 . . . . A 52 THR HB . 36336 1 617 . 1 . 1 52 52 THR HG21 H 1 1.294 0.030 . 1 . . . . A 52 THR HG21 . 36336 1 618 . 1 . 1 52 52 THR HG22 H 1 1.294 0.030 . 1 . . . . A 52 THR HG22 . 36336 1 619 . 1 . 1 52 52 THR HG23 H 1 1.294 0.030 . 1 . . . . A 52 THR HG23 . 36336 1 620 . 1 . 1 52 52 THR C C 13 177.202 0.300 . 1 . . . . A 52 THR C . 36336 1 621 . 1 . 1 52 52 THR CA C 13 69.087 0.300 . 1 . . . . A 52 THR CA . 36336 1 622 . 1 . 1 52 52 THR CB C 13 66.469 0.300 . 1 . . . . A 52 THR CB . 36336 1 623 . 1 . 1 52 52 THR CG2 C 13 21.516 0.300 . 1 . . . . A 52 THR CG2 . 36336 1 624 . 1 . 1 52 52 THR N N 15 111.980 0.300 . 1 . . . . A 52 THR N . 36336 1 625 . 1 . 1 53 53 LYS H H 1 7.787 0.030 . 1 . . . . A 53 LYS H . 36336 1 626 . 1 . 1 53 53 LYS HA H 1 4.082 0.030 . 1 . . . . A 53 LYS HA . 36336 1 627 . 1 . 1 53 53 LYS HB2 H 1 1.739 0.030 . 2 . . . . A 53 LYS HB2 . 36336 1 628 . 1 . 1 53 53 LYS HB3 H 1 1.958 0.030 . 2 . . . . A 53 LYS HB3 . 36336 1 629 . 1 . 1 53 53 LYS HG2 H 1 1.674 0.030 . 1 . . . . A 53 LYS HG2 . 36336 1 630 . 1 . 1 53 53 LYS HG3 H 1 1.674 0.030 . 1 . . . . A 53 LYS HG3 . 36336 1 631 . 1 . 1 53 53 LYS HE2 H 1 2.953 0.030 . 1 . . . . A 53 LYS HE2 . 36336 1 632 . 1 . 1 53 53 LYS HE3 H 1 2.953 0.030 . 1 . . . . A 53 LYS HE3 . 36336 1 633 . 1 . 1 53 53 LYS C C 13 179.806 0.300 . 1 . . . . A 53 LYS C . 36336 1 634 . 1 . 1 53 53 LYS CA C 13 59.315 0.300 . 1 . . . . A 53 LYS CA . 36336 1 635 . 1 . 1 53 53 LYS CB C 13 32.519 0.300 . 1 . . . . A 53 LYS CB . 36336 1 636 . 1 . 1 53 53 LYS CG C 13 25.729 0.300 . 1 . . . . A 53 LYS CG . 36336 1 637 . 1 . 1 53 53 LYS CE C 13 42.136 0.300 . 1 . . . . A 53 LYS CE . 36336 1 638 . 1 . 1 53 53 LYS N N 15 121.742 0.300 . 1 . . . . A 53 LYS N . 36336 1 639 . 1 . 1 54 54 VAL H H 1 8.492 0.030 . 1 . . . . A 54 VAL H . 36336 1 640 . 1 . 1 54 54 VAL HA H 1 3.571 0.030 . 1 . . . . A 54 VAL HA . 36336 1 641 . 1 . 1 54 54 VAL HB H 1 2.169 0.030 . 1 . . . . A 54 VAL HB . 36336 1 642 . 1 . 1 54 54 VAL HG11 H 1 0.943 0.030 . 2 . . . . A 54 VAL HG11 . 36336 1 643 . 1 . 1 54 54 VAL HG12 H 1 0.943 0.030 . 2 . . . . A 54 VAL HG12 . 36336 1 644 . 1 . 1 54 54 VAL HG13 H 1 0.943 0.030 . 2 . . . . A 54 VAL HG13 . 36336 1 645 . 1 . 1 54 54 VAL HG21 H 1 1.037 0.030 . 2 . . . . A 54 VAL HG21 . 36336 1 646 . 1 . 1 54 54 VAL HG22 H 1 1.037 0.030 . 2 . . . . A 54 VAL HG22 . 36336 1 647 . 1 . 1 54 54 VAL HG23 H 1 1.037 0.030 . 2 . . . . A 54 VAL HG23 . 36336 1 648 . 1 . 1 54 54 VAL C C 13 177.529 0.300 . 1 . . . . A 54 VAL C . 36336 1 649 . 1 . 1 54 54 VAL CA C 13 67.300 0.300 . 1 . . . . A 54 VAL CA . 36336 1 650 . 1 . 1 54 54 VAL CB C 13 31.399 0.300 . 1 . . . . A 54 VAL CB . 36336 1 651 . 1 . 1 54 54 VAL CG1 C 13 22.947 0.300 . 2 . . . . A 54 VAL CG1 . 36336 1 652 . 1 . 1 54 54 VAL CG2 C 13 24.168 0.300 . 2 . . . . A 54 VAL CG2 . 36336 1 653 . 1 . 1 54 54 VAL N N 15 120.004 0.300 . 1 . . . . A 54 VAL N . 36336 1 654 . 1 . 1 55 55 GLU H H 1 8.686 0.030 . 1 . . . . A 55 GLU H . 36336 1 655 . 1 . 1 55 55 GLU HA H 1 3.893 0.030 . 1 . . . . A 55 GLU HA . 36336 1 656 . 1 . 1 55 55 GLU HB2 H 1 1.964 0.030 . 2 . . . . A 55 GLU HB2 . 36336 1 657 . 1 . 1 55 55 GLU HB3 H 1 2.226 0.030 . 2 . . . . A 55 GLU HB3 . 36336 1 658 . 1 . 1 55 55 GLU HG2 H 1 2.594 0.030 . 1 . . . . A 55 GLU HG2 . 36336 1 659 . 1 . 1 55 55 GLU HG3 H 1 2.594 0.030 . 1 . . . . A 55 GLU HG3 . 36336 1 660 . 1 . 1 55 55 GLU C C 13 180.079 0.300 . 1 . . . . A 55 GLU C . 36336 1 661 . 1 . 1 55 55 GLU CA C 13 60.210 0.300 . 1 . . . . A 55 GLU CA . 36336 1 662 . 1 . 1 55 55 GLU CB C 13 29.027 0.300 . 1 . . . . A 55 GLU CB . 36336 1 663 . 1 . 1 55 55 GLU CG C 13 37.390 0.300 . 1 . . . . A 55 GLU CG . 36336 1 664 . 1 . 1 55 55 GLU N N 15 118.169 0.300 . 1 . . . . A 55 GLU N . 36336 1 665 . 1 . 1 56 56 GLN H H 1 8.348 0.030 . 1 . . . . A 56 GLN H . 36336 1 666 . 1 . 1 56 56 GLN HA H 1 4.077 0.030 . 1 . . . . A 56 GLN HA . 36336 1 667 . 1 . 1 56 56 GLN HB2 H 1 2.163 0.030 . 2 . . . . A 56 GLN HB2 . 36336 1 668 . 1 . 1 56 56 GLN HB3 H 1 2.271 0.030 . 2 . . . . A 56 GLN HB3 . 36336 1 669 . 1 . 1 56 56 GLN HG2 H 1 2.443 0.030 . 1 . . . . A 56 GLN HG2 . 36336 1 670 . 1 . 1 56 56 GLN HG3 H 1 2.443 0.030 . 1 . . . . A 56 GLN HG3 . 36336 1 671 . 1 . 1 56 56 GLN HE21 H 1 6.816 0.030 . 2 . . . . A 56 GLN HE21 . 36336 1 672 . 1 . 1 56 56 GLN HE22 H 1 7.668 0.030 . 2 . . . . A 56 GLN HE22 . 36336 1 673 . 1 . 1 56 56 GLN C C 13 177.247 0.300 . 1 . . . . A 56 GLN C . 36336 1 674 . 1 . 1 56 56 GLN CA C 13 59.131 0.300 . 1 . . . . A 56 GLN CA . 36336 1 675 . 1 . 1 56 56 GLN CB C 13 27.992 0.300 . 1 . . . . A 56 GLN CB . 36336 1 676 . 1 . 1 56 56 GLN CG C 13 33.503 0.300 . 1 . . . . A 56 GLN CG . 36336 1 677 . 1 . 1 56 56 GLN N N 15 120.057 0.300 . 1 . . . . A 56 GLN N . 36336 1 678 . 1 . 1 56 56 GLN NE2 N 15 112.762 0.300 . 1 . . . . A 56 GLN NE2 . 36336 1 679 . 1 . 1 57 57 ALA H H 1 7.845 0.030 . 1 . . . . A 57 ALA H . 36336 1 680 . 1 . 1 57 57 ALA HA H 1 4.309 0.030 . 1 . . . . A 57 ALA HA . 36336 1 681 . 1 . 1 57 57 ALA HB1 H 1 1.587 0.030 . 1 . . . . A 57 ALA HB1 . 36336 1 682 . 1 . 1 57 57 ALA HB2 H 1 1.587 0.030 . 1 . . . . A 57 ALA HB2 . 36336 1 683 . 1 . 1 57 57 ALA HB3 H 1 1.587 0.030 . 1 . . . . A 57 ALA HB3 . 36336 1 684 . 1 . 1 57 57 ALA C C 13 179.555 0.300 . 1 . . . . A 57 ALA C . 36336 1 685 . 1 . 1 57 57 ALA CA C 13 55.673 0.300 . 1 . . . . A 57 ALA CA . 36336 1 686 . 1 . 1 57 57 ALA CB C 13 17.977 0.300 . 1 . . . . A 57 ALA CB . 36336 1 687 . 1 . 1 57 57 ALA N N 15 123.307 0.300 . 1 . . . . A 57 ALA N . 36336 1 688 . 1 . 1 58 58 ILE H H 1 8.340 0.030 . 1 . . . . A 58 ILE H . 36336 1 689 . 1 . 1 58 58 ILE HA H 1 3.548 0.030 . 1 . . . . A 58 ILE HA . 36336 1 690 . 1 . 1 58 58 ILE HB H 1 1.945 0.030 . 1 . . . . A 58 ILE HB . 36336 1 691 . 1 . 1 58 58 ILE HG12 H 1 0.682 0.030 . 2 . . . . A 58 ILE HG12 . 36336 1 692 . 1 . 1 58 58 ILE HG13 H 1 1.959 0.030 . 2 . . . . A 58 ILE HG13 . 36336 1 693 . 1 . 1 58 58 ILE HG21 H 1 0.961 0.030 . 1 . . . . A 58 ILE HG21 . 36336 1 694 . 1 . 1 58 58 ILE HG22 H 1 0.961 0.030 . 1 . . . . A 58 ILE HG22 . 36336 1 695 . 1 . 1 58 58 ILE HG23 H 1 0.961 0.030 . 1 . . . . A 58 ILE HG23 . 36336 1 696 . 1 . 1 58 58 ILE HD11 H 1 0.783 0.030 . 1 . . . . A 58 ILE HD11 . 36336 1 697 . 1 . 1 58 58 ILE HD12 H 1 0.783 0.030 . 1 . . . . A 58 ILE HD12 . 36336 1 698 . 1 . 1 58 58 ILE HD13 H 1 0.783 0.030 . 1 . . . . A 58 ILE HD13 . 36336 1 699 . 1 . 1 58 58 ILE C C 13 177.707 0.300 . 1 . . . . A 58 ILE C . 36336 1 700 . 1 . 1 58 58 ILE CA C 13 66.407 0.300 . 1 . . . . A 58 ILE CA . 36336 1 701 . 1 . 1 58 58 ILE CB C 13 38.228 0.300 . 1 . . . . A 58 ILE CB . 36336 1 702 . 1 . 1 58 58 ILE CG1 C 13 30.255 0.300 . 1 . . . . A 58 ILE CG1 . 36336 1 703 . 1 . 1 58 58 ILE CG2 C 13 17.534 0.300 . 1 . . . . A 58 ILE CG2 . 36336 1 704 . 1 . 1 58 58 ILE CD1 C 13 14.130 0.300 . 1 . . . . A 58 ILE CD1 . 36336 1 705 . 1 . 1 58 58 ILE N N 15 117.429 0.300 . 1 . . . . A 58 ILE N . 36336 1 706 . 1 . 1 59 59 ARG H H 1 8.217 0.030 . 1 . . . . A 59 ARG H . 36336 1 707 . 1 . 1 59 59 ARG HA H 1 3.996 0.030 . 1 . . . . A 59 ARG HA . 36336 1 708 . 1 . 1 59 59 ARG HB2 H 1 2.002 0.030 . 1 . . . . A 59 ARG HB2 . 36336 1 709 . 1 . 1 59 59 ARG HB3 H 1 2.002 0.030 . 1 . . . . A 59 ARG HB3 . 36336 1 710 . 1 . 1 59 59 ARG HG2 H 1 1.543 0.030 . 2 . . . . A 59 ARG HG2 . 36336 1 711 . 1 . 1 59 59 ARG HG3 H 1 1.774 0.030 . 2 . . . . A 59 ARG HG3 . 36336 1 712 . 1 . 1 59 59 ARG HD2 H 1 3.236 0.030 . 1 . . . . A 59 ARG HD2 . 36336 1 713 . 1 . 1 59 59 ARG HD3 H 1 3.236 0.030 . 1 . . . . A 59 ARG HD3 . 36336 1 714 . 1 . 1 59 59 ARG HE H 1 4.727 0.030 . 1 . . . . A 59 ARG HE . 36336 1 715 . 1 . 1 59 59 ARG C C 13 179.298 0.300 . 1 . . . . A 59 ARG C . 36336 1 716 . 1 . 1 59 59 ARG CA C 13 60.263 0.300 . 1 . . . . A 59 ARG CA . 36336 1 717 . 1 . 1 59 59 ARG CB C 13 29.900 0.300 . 1 . . . . A 59 ARG CB . 36336 1 718 . 1 . 1 59 59 ARG CG C 13 27.713 0.300 . 1 . . . . A 59 ARG CG . 36336 1 719 . 1 . 1 59 59 ARG CD C 13 43.618 0.300 . 1 . . . . A 59 ARG CD . 36336 1 720 . 1 . 1 59 59 ARG N N 15 121.018 0.300 . 1 . . . . A 59 ARG N . 36336 1 721 . 1 . 1 60 60 GLU H H 1 8.490 0.030 . 1 . . . . A 60 GLU H . 36336 1 722 . 1 . 1 60 60 GLU HA H 1 4.225 0.030 . 1 . . . . A 60 GLU HA . 36336 1 723 . 1 . 1 60 60 GLU HB2 H 1 2.218 0.030 . 2 . . . . A 60 GLU HB2 . 36336 1 724 . 1 . 1 60 60 GLU HB3 H 1 2.270 0.030 . 2 . . . . A 60 GLU HB3 . 36336 1 725 . 1 . 1 60 60 GLU HG2 H 1 2.430 0.030 . 2 . . . . A 60 GLU HG2 . 36336 1 726 . 1 . 1 60 60 GLU HG3 H 1 2.592 0.030 . 2 . . . . A 60 GLU HG3 . 36336 1 727 . 1 . 1 60 60 GLU C C 13 178.473 0.300 . 1 . . . . A 60 GLU C . 36336 1 728 . 1 . 1 60 60 GLU CA C 13 59.032 0.300 . 1 . . . . A 60 GLU CA . 36336 1 729 . 1 . 1 60 60 GLU CB C 13 28.085 0.300 . 1 . . . . A 60 GLU CB . 36336 1 730 . 1 . 1 60 60 GLU CG C 13 35.168 0.300 . 1 . . . . A 60 GLU CG . 36336 1 731 . 1 . 1 60 60 GLU N N 15 118.380 0.300 . 1 . . . . A 60 GLU N . 36336 1 732 . 1 . 1 61 61 TRP H H 1 8.399 0.030 . 1 . . . . A 61 TRP H . 36336 1 733 . 1 . 1 61 61 TRP HA H 1 3.602 0.030 . 1 . . . . A 61 TRP HA . 36336 1 734 . 1 . 1 61 61 TRP HB2 H 1 1.847 0.030 . 1 . . . . A 61 TRP HB2 . 36336 1 735 . 1 . 1 61 61 TRP HB3 H 1 1.847 0.030 . 1 . . . . A 61 TRP HB3 . 36336 1 736 . 1 . 1 61 61 TRP HD1 H 1 6.966 0.030 . 1 . . . . A 61 TRP HD1 . 36336 1 737 . 1 . 1 61 61 TRP HE1 H 1 10.360 0.030 . 1 . . . . A 61 TRP HE1 . 36336 1 738 . 1 . 1 61 61 TRP HE3 H 1 7.392 0.030 . 1 . . . . A 61 TRP HE3 . 36336 1 739 . 1 . 1 61 61 TRP HZ2 H 1 7.451 0.030 . 1 . . . . A 61 TRP HZ2 . 36336 1 740 . 1 . 1 61 61 TRP HZ3 H 1 6.975 0.030 . 1 . . . . A 61 TRP HZ3 . 36336 1 741 . 1 . 1 61 61 TRP HH2 H 1 7.116 0.030 . 1 . . . . A 61 TRP HH2 . 36336 1 742 . 1 . 1 61 61 TRP C C 13 179.757 0.300 . 1 . . . . A 61 TRP C . 36336 1 743 . 1 . 1 61 61 TRP CA C 13 61.989 0.300 . 1 . . . . A 61 TRP CA . 36336 1 744 . 1 . 1 61 61 TRP CB C 13 29.157 0.300 . 1 . . . . A 61 TRP CB . 36336 1 745 . 1 . 1 61 61 TRP CD1 C 13 125.925 0.300 . 1 . . . . A 61 TRP CD1 . 36336 1 746 . 1 . 1 61 61 TRP CE3 C 13 119.373 0.300 . 1 . . . . A 61 TRP CE3 . 36336 1 747 . 1 . 1 61 61 TRP CZ2 C 13 115.621 0.300 . 1 . . . . A 61 TRP CZ2 . 36336 1 748 . 1 . 1 61 61 TRP CZ3 C 13 121.352 0.300 . 1 . . . . A 61 TRP CZ3 . 36336 1 749 . 1 . 1 61 61 TRP CH2 C 13 124.763 0.300 . 1 . . . . A 61 TRP CH2 . 36336 1 750 . 1 . 1 61 61 TRP N N 15 120.938 0.300 . 1 . . . . A 61 TRP N . 36336 1 751 . 1 . 1 61 61 TRP NE1 N 15 131.041 0.300 . 1 . . . . A 61 TRP NE1 . 36336 1 752 . 1 . 1 62 62 LYS H H 1 8.753 0.030 . 1 . . . . A 62 LYS H . 36336 1 753 . 1 . 1 62 62 LYS HA H 1 3.921 0.030 . 1 . . . . A 62 LYS HA . 36336 1 754 . 1 . 1 62 62 LYS HB2 H 1 2.027 0.030 . 1 . . . . A 62 LYS HB2 . 36336 1 755 . 1 . 1 62 62 LYS HB3 H 1 2.027 0.030 . 1 . . . . A 62 LYS HB3 . 36336 1 756 . 1 . 1 62 62 LYS HG2 H 1 1.615 0.030 . 1 . . . . A 62 LYS HG2 . 36336 1 757 . 1 . 1 62 62 LYS HG3 H 1 1.615 0.030 . 1 . . . . A 62 LYS HG3 . 36336 1 758 . 1 . 1 62 62 LYS HD2 H 1 1.865 0.030 . 1 . . . . A 62 LYS HD2 . 36336 1 759 . 1 . 1 62 62 LYS HD3 H 1 1.865 0.030 . 1 . . . . A 62 LYS HD3 . 36336 1 760 . 1 . 1 62 62 LYS HE2 H 1 3.007 0.030 . 1 . . . . A 62 LYS HE2 . 36336 1 761 . 1 . 1 62 62 LYS HE3 H 1 3.007 0.030 . 1 . . . . A 62 LYS HE3 . 36336 1 762 . 1 . 1 62 62 LYS C C 13 178.391 0.300 . 1 . . . . A 62 LYS C . 36336 1 763 . 1 . 1 62 62 LYS CA C 13 59.456 0.300 . 1 . . . . A 62 LYS CA . 36336 1 764 . 1 . 1 62 62 LYS CB C 13 32.463 0.300 . 1 . . . . A 62 LYS CB . 36336 1 765 . 1 . 1 62 62 LYS CG C 13 25.766 0.300 . 1 . . . . A 62 LYS CG . 36336 1 766 . 1 . 1 62 62 LYS CD C 13 25.777 0.300 . 1 . . . . A 62 LYS CD . 36336 1 767 . 1 . 1 62 62 LYS CE C 13 42.063 0.300 . 1 . . . . A 62 LYS CE . 36336 1 768 . 1 . 1 62 62 LYS N N 15 119.625 0.300 . 1 . . . . A 62 LYS N . 36336 1 769 . 1 . 1 63 63 GLN H H 1 7.811 0.030 . 1 . . . . A 63 GLN H . 36336 1 770 . 1 . 1 63 63 GLN HA H 1 4.313 0.030 . 1 . . . . A 63 GLN HA . 36336 1 771 . 1 . 1 63 63 GLN HB2 H 1 2.196 0.030 . 1 . . . . A 63 GLN HB2 . 36336 1 772 . 1 . 1 63 63 GLN HB3 H 1 2.196 0.030 . 1 . . . . A 63 GLN HB3 . 36336 1 773 . 1 . 1 63 63 GLN HG2 H 1 2.530 0.030 . 1 . . . . A 63 GLN HG2 . 36336 1 774 . 1 . 1 63 63 GLN HG3 H 1 2.530 0.030 . 1 . . . . A 63 GLN HG3 . 36336 1 775 . 1 . 1 63 63 GLN HE21 H 1 7.288 0.030 . 2 . . . . A 63 GLN HE21 . 36336 1 776 . 1 . 1 63 63 GLN HE22 H 1 6.808 0.030 . 2 . . . . A 63 GLN HE22 . 36336 1 777 . 1 . 1 63 63 GLN C C 13 175.870 0.300 . 1 . . . . A 63 GLN C . 36336 1 778 . 1 . 1 63 63 GLN CA C 13 55.728 0.300 . 1 . . . . A 63 GLN CA . 36336 1 779 . 1 . 1 63 63 GLN CB C 13 29.000 0.300 . 1 . . . . A 63 GLN CB . 36336 1 780 . 1 . 1 63 63 GLN CG C 13 34.230 0.300 . 1 . . . . A 63 GLN CG . 36336 1 781 . 1 . 1 63 63 GLN N N 15 115.910 0.300 . 1 . . . . A 63 GLN N . 36336 1 782 . 1 . 1 63 63 GLN NE2 N 15 110.686 0.300 . 1 . . . . A 63 GLN NE2 . 36336 1 783 . 1 . 1 64 64 GLY H H 1 7.745 0.030 . 1 . . . . A 64 GLY H . 36336 1 784 . 1 . 1 64 64 GLY HA2 H 1 3.602 0.030 . 2 . . . . A 64 GLY HA2 . 36336 1 785 . 1 . 1 64 64 GLY HA3 H 1 4.207 0.030 . 2 . . . . A 64 GLY HA3 . 36336 1 786 . 1 . 1 64 64 GLY C C 13 174.225 0.300 . 1 . . . . A 64 GLY C . 36336 1 787 . 1 . 1 64 64 GLY CA C 13 45.215 0.300 . 1 . . . . A 64 GLY CA . 36336 1 788 . 1 . 1 64 64 GLY N N 15 107.094 0.300 . 1 . . . . A 64 GLY N . 36336 1 789 . 1 . 1 65 65 ASN H H 1 8.332 0.030 . 1 . . . . A 65 ASN H . 36336 1 790 . 1 . 1 65 65 ASN HA H 1 5.068 0.030 . 1 . . . . A 65 ASN HA . 36336 1 791 . 1 . 1 65 65 ASN HB2 H 1 2.744 0.030 . 2 . . . . A 65 ASN HB2 . 36336 1 792 . 1 . 1 65 65 ASN HB3 H 1 3.139 0.030 . 2 . . . . A 65 ASN HB3 . 36336 1 793 . 1 . 1 65 65 ASN HD21 H 1 6.825 0.030 . 2 . . . . A 65 ASN HD21 . 36336 1 794 . 1 . 1 65 65 ASN HD22 H 1 7.828 0.030 . 2 . . . . A 65 ASN HD22 . 36336 1 795 . 1 . 1 65 65 ASN C C 13 175.490 0.300 . 1 . . . . A 65 ASN C . 36336 1 796 . 1 . 1 65 65 ASN CA C 13 50.672 0.300 . 1 . . . . A 65 ASN CA . 36336 1 797 . 1 . 1 65 65 ASN CB C 13 36.475 0.300 . 1 . . . . A 65 ASN CB . 36336 1 798 . 1 . 1 65 65 ASN N N 15 123.201 0.300 . 1 . . . . A 65 ASN N . 36336 1 799 . 1 . 1 65 65 ASN ND2 N 15 112.827 0.300 . 1 . . . . A 65 ASN ND2 . 36336 1 800 . 1 . 1 66 66 GLU H H 1 7.806 0.030 . 1 . . . . A 66 GLU H . 36336 1 801 . 1 . 1 66 66 GLU HA H 1 3.602 0.030 . 1 . . . . A 66 GLU HA . 36336 1 802 . 1 . 1 66 66 GLU HB2 H 1 1.794 0.030 . 1 . . . . A 66 GLU HB2 . 36336 1 803 . 1 . 1 66 66 GLU HB3 H 1 1.794 0.030 . 1 . . . . A 66 GLU HB3 . 36336 1 804 . 1 . 1 66 66 GLU HG2 H 1 0.994 0.030 . 2 . . . . A 66 GLU HG2 . 36336 1 805 . 1 . 1 66 66 GLU HG3 H 1 1.632 0.030 . 2 . . . . A 66 GLU HG3 . 36336 1 806 . 1 . 1 66 66 GLU C C 13 178.190 0.300 . 1 . . . . A 66 GLU C . 36336 1 807 . 1 . 1 66 66 GLU CA C 13 60.268 0.300 . 1 . . . . A 66 GLU CA . 36336 1 808 . 1 . 1 66 66 GLU CB C 13 29.404 0.300 . 1 . . . . A 66 GLU CB . 36336 1 809 . 1 . 1 66 66 GLU CG C 13 35.650 0.300 . 1 . . . . A 66 GLU CG . 36336 1 810 . 1 . 1 66 66 GLU N N 15 120.127 0.300 . 1 . . . . A 66 GLU N . 36336 1 811 . 1 . 1 67 67 GLU H H 1 8.570 0.030 . 1 . . . . A 67 GLU H . 36336 1 812 . 1 . 1 67 67 GLU C C 13 178.908 0.300 . 1 . . . . A 67 GLU C . 36336 1 813 . 1 . 1 67 67 GLU CA C 13 59.731 0.300 . 1 . . . . A 67 GLU CA . 36336 1 814 . 1 . 1 67 67 GLU CB C 13 29.318 0.300 . 1 . . . . A 67 GLU CB . 36336 1 815 . 1 . 1 67 67 GLU N N 15 118.343 0.300 . 1 . . . . A 67 GLU N . 36336 1 816 . 1 . 1 68 68 GLN H H 1 7.722 0.030 . 1 . . . . A 68 GLN H . 36336 1 817 . 1 . 1 68 68 GLN HA H 1 3.779 0.030 . 1 . . . . A 68 GLN HA . 36336 1 818 . 1 . 1 68 68 GLN HB2 H 1 1.758 0.030 . 2 . . . . A 68 GLN HB2 . 36336 1 819 . 1 . 1 68 68 GLN HB3 H 1 2.082 0.030 . 2 . . . . A 68 GLN HB3 . 36336 1 820 . 1 . 1 68 68 GLN HG2 H 1 2.376 0.030 . 1 . . . . A 68 GLN HG2 . 36336 1 821 . 1 . 1 68 68 GLN HG3 H 1 2.376 0.030 . 1 . . . . A 68 GLN HG3 . 36336 1 822 . 1 . 1 68 68 GLN HE21 H 1 6.826 0.030 . 2 . . . . A 68 GLN HE21 . 36336 1 823 . 1 . 1 68 68 GLN HE22 H 1 7.999 0.030 . 2 . . . . A 68 GLN HE22 . 36336 1 824 . 1 . 1 68 68 GLN C C 13 177.426 0.300 . 1 . . . . A 68 GLN C . 36336 1 825 . 1 . 1 68 68 GLN CA C 13 57.960 0.300 . 1 . . . . A 68 GLN CA . 36336 1 826 . 1 . 1 68 68 GLN CB C 13 29.020 0.300 . 1 . . . . A 68 GLN CB . 36336 1 827 . 1 . 1 68 68 GLN CG C 13 33.156 0.300 . 1 . . . . A 68 GLN CG . 36336 1 828 . 1 . 1 68 68 GLN N N 15 119.289 0.300 . 1 . . . . A 68 GLN N . 36336 1 829 . 1 . 1 68 68 GLN NE2 N 15 116.493 0.300 . 1 . . . . A 68 GLN NE2 . 36336 1 830 . 1 . 1 69 69 ALA H H 1 8.075 0.030 . 1 . . . . A 69 ALA H . 36336 1 831 . 1 . 1 69 69 ALA HA H 1 4.166 0.030 . 1 . . . . A 69 ALA HA . 36336 1 832 . 1 . 1 69 69 ALA HB1 H 1 1.845 0.030 . 1 . . . . A 69 ALA HB1 . 36336 1 833 . 1 . 1 69 69 ALA HB2 H 1 1.845 0.030 . 1 . . . . A 69 ALA HB2 . 36336 1 834 . 1 . 1 69 69 ALA HB3 H 1 1.845 0.030 . 1 . . . . A 69 ALA HB3 . 36336 1 835 . 1 . 1 69 69 ALA C C 13 179.879 0.300 . 1 . . . . A 69 ALA C . 36336 1 836 . 1 . 1 69 69 ALA CA C 13 55.715 0.300 . 1 . . . . A 69 ALA CA . 36336 1 837 . 1 . 1 69 69 ALA CB C 13 20.336 0.300 . 1 . . . . A 69 ALA CB . 36336 1 838 . 1 . 1 69 69 ALA N N 15 120.343 0.300 . 1 . . . . A 69 ALA N . 36336 1 839 . 1 . 1 70 70 ARG H H 1 8.233 0.030 . 1 . . . . A 70 ARG H . 36336 1 840 . 1 . 1 70 70 ARG HA H 1 3.751 0.030 . 1 . . . . A 70 ARG HA . 36336 1 841 . 1 . 1 70 70 ARG HB2 H 1 1.775 0.030 . 2 . . . . A 70 ARG HB2 . 36336 1 842 . 1 . 1 70 70 ARG HB3 H 1 2.171 0.030 . 2 . . . . A 70 ARG HB3 . 36336 1 843 . 1 . 1 70 70 ARG HG2 H 1 1.392 0.030 . 2 . . . . A 70 ARG HG2 . 36336 1 844 . 1 . 1 70 70 ARG HG3 H 1 2.214 0.030 . 2 . . . . A 70 ARG HG3 . 36336 1 845 . 1 . 1 70 70 ARG HD2 H 1 3.255 0.030 . 2 . . . . A 70 ARG HD2 . 36336 1 846 . 1 . 1 70 70 ARG HD3 H 1 3.618 0.030 . 2 . . . . A 70 ARG HD3 . 36336 1 847 . 1 . 1 70 70 ARG HE H 1 8.237 0.030 . 1 . . . . A 70 ARG HE . 36336 1 848 . 1 . 1 70 70 ARG C C 13 178.688 0.300 . 1 . . . . A 70 ARG C . 36336 1 849 . 1 . 1 70 70 ARG CA C 13 60.803 0.300 . 1 . . . . A 70 ARG CA . 36336 1 850 . 1 . 1 70 70 ARG CB C 13 31.193 0.300 . 1 . . . . A 70 ARG CB . 36336 1 851 . 1 . 1 70 70 ARG CG C 13 29.467 0.300 . 1 . . . . A 70 ARG CG . 36336 1 852 . 1 . 1 70 70 ARG CD C 13 43.884 0.300 . 1 . . . . A 70 ARG CD . 36336 1 853 . 1 . 1 70 70 ARG N N 15 115.218 0.300 . 1 . . . . A 70 ARG N . 36336 1 854 . 1 . 1 71 71 LYS H H 1 7.811 0.030 . 1 . . . . A 71 LYS H . 36336 1 855 . 1 . 1 71 71 LYS C C 13 179.850 0.300 . 1 . . . . A 71 LYS C . 36336 1 856 . 1 . 1 71 71 LYS CA C 13 60.158 0.300 . 1 . . . . A 71 LYS CA . 36336 1 857 . 1 . 1 71 71 LYS CB C 13 32.374 0.300 . 1 . . . . A 71 LYS CB . 36336 1 858 . 1 . 1 71 71 LYS CG C 13 25.615 0.300 . 1 . . . . A 71 LYS CG . 36336 1 859 . 1 . 1 71 71 LYS N N 15 120.243 0.300 . 1 . . . . A 71 LYS N . 36336 1 860 . 1 . 1 72 72 ASP H H 1 8.827 0.030 . 1 . . . . A 72 ASP H . 36336 1 861 . 1 . 1 72 72 ASP HA H 1 4.475 0.030 . 1 . . . . A 72 ASP HA . 36336 1 862 . 1 . 1 72 72 ASP HB2 H 1 2.671 0.030 . 2 . . . . A 72 ASP HB2 . 36336 1 863 . 1 . 1 72 72 ASP HB3 H 1 2.794 0.030 . 2 . . . . A 72 ASP HB3 . 36336 1 864 . 1 . 1 72 72 ASP C C 13 179.538 0.300 . 1 . . . . A 72 ASP C . 36336 1 865 . 1 . 1 72 72 ASP CA C 13 57.680 0.300 . 1 . . . . A 72 ASP CA . 36336 1 866 . 1 . 1 72 72 ASP CB C 13 40.287 0.300 . 1 . . . . A 72 ASP CB . 36336 1 867 . 1 . 1 72 72 ASP N N 15 121.554 0.300 . 1 . . . . A 72 ASP N . 36336 1 868 . 1 . 1 73 73 MET H H 1 8.612 0.030 . 1 . . . . A 73 MET H . 36336 1 869 . 1 . 1 73 73 MET HA H 1 4.379 0.030 . 1 . . . . A 73 MET HA . 36336 1 870 . 1 . 1 73 73 MET HB2 H 1 1.807 0.030 . 2 . . . . A 73 MET HB2 . 36336 1 871 . 1 . 1 73 73 MET HB3 H 1 2.158 0.030 . 2 . . . . A 73 MET HB3 . 36336 1 872 . 1 . 1 73 73 MET HG2 H 1 2.231 0.030 . 2 . . . . A 73 MET HG2 . 36336 1 873 . 1 . 1 73 73 MET HG3 H 1 2.966 0.030 . 2 . . . . A 73 MET HG3 . 36336 1 874 . 1 . 1 73 73 MET HE1 H 1 1.711 0.030 . 1 . . . . A 73 MET HE1 . 36336 1 875 . 1 . 1 73 73 MET HE2 H 1 1.711 0.030 . 1 . . . . A 73 MET HE2 . 36336 1 876 . 1 . 1 73 73 MET HE3 H 1 1.711 0.030 . 1 . . . . A 73 MET HE3 . 36336 1 877 . 1 . 1 73 73 MET C C 13 178.261 0.300 . 1 . . . . A 73 MET C . 36336 1 878 . 1 . 1 73 73 MET CA C 13 56.419 0.300 . 1 . . . . A 73 MET CA . 36336 1 879 . 1 . 1 73 73 MET CB C 13 31.535 0.300 . 1 . . . . A 73 MET CB . 36336 1 880 . 1 . 1 73 73 MET CG C 13 32.772 0.300 . 1 . . . . A 73 MET CG . 36336 1 881 . 1 . 1 73 73 MET CE C 13 17.304 0.300 . 1 . . . . A 73 MET CE . 36336 1 882 . 1 . 1 73 73 MET N N 15 120.081 0.300 . 1 . . . . A 73 MET N . 36336 1 883 . 1 . 1 74 74 ARG H H 1 8.416 0.030 . 1 . . . . A 74 ARG H . 36336 1 884 . 1 . 1 74 74 ARG HA H 1 3.744 0.030 . 1 . . . . A 74 ARG HA . 36336 1 885 . 1 . 1 74 74 ARG HB2 H 1 1.913 0.030 . 1 . . . . A 74 ARG HB2 . 36336 1 886 . 1 . 1 74 74 ARG HB3 H 1 1.913 0.030 . 1 . . . . A 74 ARG HB3 . 36336 1 887 . 1 . 1 74 74 ARG HG2 H 1 1.577 0.030 . 2 . . . . A 74 ARG HG2 . 36336 1 888 . 1 . 1 74 74 ARG HG3 H 1 1.757 0.030 . 2 . . . . A 74 ARG HG3 . 36336 1 889 . 1 . 1 74 74 ARG C C 13 177.736 0.300 . 1 . . . . A 74 ARG C . 36336 1 890 . 1 . 1 74 74 ARG CA C 13 60.522 0.300 . 1 . . . . A 74 ARG CA . 36336 1 891 . 1 . 1 74 74 ARG CB C 13 29.674 0.300 . 1 . . . . A 74 ARG CB . 36336 1 892 . 1 . 1 74 74 ARG CG C 13 28.361 0.300 . 1 . . . . A 74 ARG CG . 36336 1 893 . 1 . 1 74 74 ARG CD C 13 43.466 0.300 . 1 . . . . A 74 ARG CD . 36336 1 894 . 1 . 1 74 74 ARG N N 15 120.177 0.300 . 1 . . . . A 74 ARG N . 36336 1 895 . 1 . 1 75 75 LYS H H 1 7.319 0.030 . 1 . . . . A 75 LYS H . 36336 1 896 . 1 . 1 75 75 LYS HA H 1 3.896 0.030 . 1 . . . . A 75 LYS HA . 36336 1 897 . 1 . 1 75 75 LYS HB2 H 1 2.022 0.030 . 1 . . . . A 75 LYS HB2 . 36336 1 898 . 1 . 1 75 75 LYS HB3 H 1 2.022 0.030 . 1 . . . . A 75 LYS HB3 . 36336 1 899 . 1 . 1 75 75 LYS HG2 H 1 1.453 0.030 . 2 . . . . A 75 LYS HG2 . 36336 1 900 . 1 . 1 75 75 LYS HG3 H 1 1.686 0.030 . 2 . . . . A 75 LYS HG3 . 36336 1 901 . 1 . 1 75 75 LYS HD2 H 1 1.688 0.030 . 1 . . . . A 75 LYS HD2 . 36336 1 902 . 1 . 1 75 75 LYS HD3 H 1 1.688 0.030 . 1 . . . . A 75 LYS HD3 . 36336 1 903 . 1 . 1 75 75 LYS HE2 H 1 2.956 0.030 . 1 . . . . A 75 LYS HE2 . 36336 1 904 . 1 . 1 75 75 LYS HE3 H 1 2.956 0.030 . 1 . . . . A 75 LYS HE3 . 36336 1 905 . 1 . 1 75 75 LYS C C 13 179.650 0.300 . 1 . . . . A 75 LYS C . 36336 1 906 . 1 . 1 75 75 LYS CA C 13 59.802 0.300 . 1 . . . . A 75 LYS CA . 36336 1 907 . 1 . 1 75 75 LYS CB C 13 32.381 0.300 . 1 . . . . A 75 LYS CB . 36336 1 908 . 1 . 1 75 75 LYS CG C 13 25.642 0.300 . 1 . . . . A 75 LYS CG . 36336 1 909 . 1 . 1 75 75 LYS CD C 13 29.505 0.300 . 1 . . . . A 75 LYS CD . 36336 1 910 . 1 . 1 75 75 LYS CE C 13 42.121 0.300 . 1 . . . . A 75 LYS CE . 36336 1 911 . 1 . 1 75 75 LYS N N 15 116.048 0.300 . 1 . . . . A 75 LYS N . 36336 1 912 . 1 . 1 76 76 VAL H H 1 7.305 0.030 . 1 . . . . A 76 VAL H . 36336 1 913 . 1 . 1 76 76 VAL HA H 1 3.482 0.030 . 1 . . . . A 76 VAL HA . 36336 1 914 . 1 . 1 76 76 VAL HB H 1 2.167 0.030 . 1 . . . . A 76 VAL HB . 36336 1 915 . 1 . 1 76 76 VAL HG11 H 1 0.285 0.030 . 2 . . . . A 76 VAL HG11 . 36336 1 916 . 1 . 1 76 76 VAL HG12 H 1 0.285 0.030 . 2 . . . . A 76 VAL HG12 . 36336 1 917 . 1 . 1 76 76 VAL HG13 H 1 0.285 0.030 . 2 . . . . A 76 VAL HG13 . 36336 1 918 . 1 . 1 76 76 VAL HG21 H 1 0.943 0.030 . 2 . . . . A 76 VAL HG21 . 36336 1 919 . 1 . 1 76 76 VAL HG22 H 1 0.943 0.030 . 2 . . . . A 76 VAL HG22 . 36336 1 920 . 1 . 1 76 76 VAL HG23 H 1 0.943 0.030 . 2 . . . . A 76 VAL HG23 . 36336 1 921 . 1 . 1 76 76 VAL C C 13 178.154 0.300 . 1 . . . . A 76 VAL C . 36336 1 922 . 1 . 1 76 76 VAL CA C 13 66.475 0.300 . 1 . . . . A 76 VAL CA . 36336 1 923 . 1 . 1 76 76 VAL CB C 13 31.448 0.300 . 1 . . . . A 76 VAL CB . 36336 1 924 . 1 . 1 76 76 VAL CG1 C 13 21.147 0.300 . 2 . . . . A 76 VAL CG1 . 36336 1 925 . 1 . 1 76 76 VAL CG2 C 13 22.985 0.300 . 2 . . . . A 76 VAL CG2 . 36336 1 926 . 1 . 1 76 76 VAL N N 15 120.080 0.300 . 1 . . . . A 76 VAL N . 36336 1 927 . 1 . 1 77 77 LEU H H 1 7.939 0.030 . 1 . . . . A 77 LEU H . 36336 1 928 . 1 . 1 77 77 LEU HA H 1 3.503 0.030 . 1 . . . . A 77 LEU HA . 36336 1 929 . 1 . 1 77 77 LEU HB2 H 1 1.334 0.030 . 2 . . . . A 77 LEU HB2 . 36336 1 930 . 1 . 1 77 77 LEU HB3 H 1 1.804 0.030 . 2 . . . . A 77 LEU HB3 . 36336 1 931 . 1 . 1 77 77 LEU HD11 H 1 0.537 0.030 . 2 . . . . A 77 LEU HD11 . 36336 1 932 . 1 . 1 77 77 LEU HD12 H 1 0.537 0.030 . 2 . . . . A 77 LEU HD12 . 36336 1 933 . 1 . 1 77 77 LEU HD13 H 1 0.537 0.030 . 2 . . . . A 77 LEU HD13 . 36336 1 934 . 1 . 1 77 77 LEU HD21 H 1 0.636 0.030 . 2 . . . . A 77 LEU HD21 . 36336 1 935 . 1 . 1 77 77 LEU HD22 H 1 0.636 0.030 . 2 . . . . A 77 LEU HD22 . 36336 1 936 . 1 . 1 77 77 LEU HD23 H 1 0.636 0.030 . 2 . . . . A 77 LEU HD23 . 36336 1 937 . 1 . 1 77 77 LEU C C 13 176.406 0.300 . 1 . . . . A 77 LEU C . 36336 1 938 . 1 . 1 77 77 LEU CA C 13 57.192 0.300 . 1 . . . . A 77 LEU CA . 36336 1 939 . 1 . 1 77 77 LEU CB C 13 42.226 0.300 . 1 . . . . A 77 LEU CB . 36336 1 940 . 1 . 1 77 77 LEU CD1 C 13 23.227 0.300 . 2 . . . . A 77 LEU CD1 . 36336 1 941 . 1 . 1 77 77 LEU CD2 C 13 25.416 0.300 . 2 . . . . A 77 LEU CD2 . 36336 1 942 . 1 . 1 77 77 LEU N N 15 117.732 0.300 . 1 . . . . A 77 LEU N . 36336 1 943 . 1 . 1 78 78 LYS H H 1 7.033 0.030 . 1 . . . . A 78 LYS H . 36336 1 944 . 1 . 1 78 78 LYS HA H 1 4.267 0.030 . 1 . . . . A 78 LYS HA . 36336 1 945 . 1 . 1 78 78 LYS HB2 H 1 1.761 0.030 . 2 . . . . A 78 LYS HB2 . 36336 1 946 . 1 . 1 78 78 LYS HB3 H 1 1.922 0.030 . 2 . . . . A 78 LYS HB3 . 36336 1 947 . 1 . 1 78 78 LYS HG2 H 1 1.503 0.030 . 1 . . . . A 78 LYS HG2 . 36336 1 948 . 1 . 1 78 78 LYS HG3 H 1 1.503 0.030 . 1 . . . . A 78 LYS HG3 . 36336 1 949 . 1 . 1 78 78 LYS HD2 H 1 1.656 0.030 . 1 . . . . A 78 LYS HD2 . 36336 1 950 . 1 . 1 78 78 LYS HD3 H 1 1.656 0.030 . 1 . . . . A 78 LYS HD3 . 36336 1 951 . 1 . 1 78 78 LYS HE2 H 1 2.950 0.030 . 1 . . . . A 78 LYS HE2 . 36336 1 952 . 1 . 1 78 78 LYS HE3 H 1 2.950 0.030 . 1 . . . . A 78 LYS HE3 . 36336 1 953 . 1 . 1 78 78 LYS C C 13 176.877 0.300 . 1 . . . . A 78 LYS C . 36336 1 954 . 1 . 1 78 78 LYS CA C 13 55.907 0.300 . 1 . . . . A 78 LYS CA . 36336 1 955 . 1 . 1 78 78 LYS CB C 13 33.100 0.300 . 1 . . . . A 78 LYS CB . 36336 1 956 . 1 . 1 78 78 LYS CG C 13 24.860 0.300 . 1 . . . . A 78 LYS CG . 36336 1 957 . 1 . 1 78 78 LYS CE C 13 42.097 0.300 . 1 . . . . A 78 LYS CE . 36336 1 958 . 1 . 1 78 78 LYS N N 15 111.592 0.300 . 1 . . . . A 78 LYS N . 36336 1 959 . 1 . 1 79 79 SER H H 1 7.846 0.030 . 1 . . . . A 79 SER H . 36336 1 960 . 1 . 1 79 79 SER HA H 1 4.724 0.030 . 1 . . . . A 79 SER HA . 36336 1 961 . 1 . 1 79 79 SER HB2 H 1 4.281 0.030 . 1 . . . . A 79 SER HB2 . 36336 1 962 . 1 . 1 79 79 SER HB3 H 1 4.281 0.030 . 1 . . . . A 79 SER HB3 . 36336 1 963 . 1 . 1 79 79 SER CA C 13 56.686 0.300 . 1 . . . . A 79 SER CA . 36336 1 964 . 1 . 1 79 79 SER CB C 13 63.636 0.300 . 1 . . . . A 79 SER CB . 36336 1 965 . 1 . 1 79 79 SER N N 15 118.966 0.300 . 1 . . . . A 79 SER N . 36336 1 966 . 1 . 1 80 80 PRO HA H 1 4.244 0.030 . 1 . . . . A 80 PRO HA . 36336 1 967 . 1 . 1 80 80 PRO HB2 H 1 2.022 0.030 . 2 . . . . A 80 PRO HB2 . 36336 1 968 . 1 . 1 80 80 PRO HB3 H 1 2.424 0.030 . 2 . . . . A 80 PRO HB3 . 36336 1 969 . 1 . 1 80 80 PRO HG2 H 1 2.108 0.030 . 2 . . . . A 80 PRO HG2 . 36336 1 970 . 1 . 1 80 80 PRO HG3 H 1 2.232 0.030 . 2 . . . . A 80 PRO HG3 . 36336 1 971 . 1 . 1 80 80 PRO HD2 H 1 3.970 0.030 . 2 . . . . A 80 PRO HD2 . 36336 1 972 . 1 . 1 80 80 PRO HD3 H 1 4.146 0.030 . 2 . . . . A 80 PRO HD3 . 36336 1 973 . 1 . 1 80 80 PRO C C 13 178.934 0.300 . 1 . . . . A 80 PRO C . 36336 1 974 . 1 . 1 80 80 PRO CA C 13 65.727 0.300 . 1 . . . . A 80 PRO CA . 36336 1 975 . 1 . 1 80 80 PRO CB C 13 32.035 0.300 . 1 . . . . A 80 PRO CB . 36336 1 976 . 1 . 1 80 80 PRO CG C 13 27.916 0.300 . 1 . . . . A 80 PRO CG . 36336 1 977 . 1 . 1 80 80 PRO CD C 13 51.022 0.300 . 1 . . . . A 80 PRO CD . 36336 1 978 . 1 . 1 81 81 ALA H H 1 8.234 0.030 . 1 . . . . A 81 ALA H . 36336 1 979 . 1 . 1 81 81 ALA HA H 1 4.211 0.030 . 1 . . . . A 81 ALA HA . 36336 1 980 . 1 . 1 81 81 ALA HB1 H 1 1.455 0.030 . 1 . . . . A 81 ALA HB1 . 36336 1 981 . 1 . 1 81 81 ALA HB2 H 1 1.455 0.030 . 1 . . . . A 81 ALA HB2 . 36336 1 982 . 1 . 1 81 81 ALA HB3 H 1 1.455 0.030 . 1 . . . . A 81 ALA HB3 . 36336 1 983 . 1 . 1 81 81 ALA C C 13 179.273 0.300 . 1 . . . . A 81 ALA C . 36336 1 984 . 1 . 1 81 81 ALA CA C 13 55.035 0.300 . 1 . . . . A 81 ALA CA . 36336 1 985 . 1 . 1 81 81 ALA CB C 13 18.674 0.300 . 1 . . . . A 81 ALA CB . 36336 1 986 . 1 . 1 81 81 ALA N N 15 118.583 0.300 . 1 . . . . A 81 ALA N . 36336 1 987 . 1 . 1 82 82 PHE H H 1 7.483 0.030 . 1 . . . . A 82 PHE H . 36336 1 988 . 1 . 1 82 82 PHE HA H 1 3.913 0.030 . 1 . . . . A 82 PHE HA . 36336 1 989 . 1 . 1 82 82 PHE HB2 H 1 2.825 0.030 . 2 . . . . A 82 PHE HB2 . 36336 1 990 . 1 . 1 82 82 PHE HB3 H 1 3.476 0.030 . 2 . . . . A 82 PHE HB3 . 36336 1 991 . 1 . 1 82 82 PHE HD1 H 1 7.007 0.030 . 1 . . . . A 82 PHE HD1 . 36336 1 992 . 1 . 1 82 82 PHE HD2 H 1 7.007 0.030 . 1 . . . . A 82 PHE HD2 . 36336 1 993 . 1 . 1 82 82 PHE HE1 H 1 6.936 0.030 . 1 . . . . A 82 PHE HE1 . 36336 1 994 . 1 . 1 82 82 PHE HE2 H 1 6.936 0.030 . 1 . . . . A 82 PHE HE2 . 36336 1 995 . 1 . 1 82 82 PHE HZ H 1 6.763 0.030 . 1 . . . . A 82 PHE HZ . 36336 1 996 . 1 . 1 82 82 PHE C C 13 176.914 0.300 . 1 . . . . A 82 PHE C . 36336 1 997 . 1 . 1 82 82 PHE CA C 13 61.954 0.300 . 1 . . . . A 82 PHE CA . 36336 1 998 . 1 . 1 82 82 PHE CB C 13 40.819 0.300 . 1 . . . . A 82 PHE CB . 36336 1 999 . 1 . 1 82 82 PHE CD1 C 13 132.110 0.300 . 1 . . . . A 82 PHE CD1 . 36336 1 1000 . 1 . 1 82 82 PHE CD2 C 13 132.110 0.300 . 1 . . . . A 82 PHE CD2 . 36336 1 1001 . 1 . 1 82 82 PHE CE1 C 13 130.573 0.300 . 1 . . . . A 82 PHE CE1 . 36336 1 1002 . 1 . 1 82 82 PHE CE2 C 13 130.573 0.300 . 1 . . . . A 82 PHE CE2 . 36336 1 1003 . 1 . 1 82 82 PHE CZ C 13 127.933 0.300 . 1 . . . . A 82 PHE CZ . 36336 1 1004 . 1 . 1 82 82 PHE N N 15 119.003 0.300 . 1 . . . . A 82 PHE N . 36336 1 1005 . 1 . 1 83 83 LYS H H 1 8.113 0.030 . 1 . . . . A 83 LYS H . 36336 1 1006 . 1 . 1 83 83 LYS HA H 1 4.026 0.030 . 1 . . . . A 83 LYS HA . 36336 1 1007 . 1 . 1 83 83 LYS HB2 H 1 1.965 0.030 . 1 . . . . A 83 LYS HB2 . 36336 1 1008 . 1 . 1 83 83 LYS HB3 H 1 1.965 0.030 . 1 . . . . A 83 LYS HB3 . 36336 1 1009 . 1 . 1 83 83 LYS HD2 H 1 1.679 0.030 . 1 . . . . A 83 LYS HD2 . 36336 1 1010 . 1 . 1 83 83 LYS HD3 H 1 1.679 0.030 . 1 . . . . A 83 LYS HD3 . 36336 1 1011 . 1 . 1 83 83 LYS HE2 H 1 2.949 0.030 . 1 . . . . A 83 LYS HE2 . 36336 1 1012 . 1 . 1 83 83 LYS HE3 H 1 2.949 0.030 . 1 . . . . A 83 LYS HE3 . 36336 1 1013 . 1 . 1 83 83 LYS C C 13 179.799 0.300 . 1 . . . . A 83 LYS C . 36336 1 1014 . 1 . 1 83 83 LYS CA C 13 60.108 0.300 . 1 . . . . A 83 LYS CA . 36336 1 1015 . 1 . 1 83 83 LYS CB C 13 32.320 0.300 . 1 . . . . A 83 LYS CB . 36336 1 1016 . 1 . 1 83 83 LYS CG C 13 24.958 0.300 . 1 . . . . A 83 LYS CG . 36336 1 1017 . 1 . 1 83 83 LYS CD C 13 29.585 0.300 . 1 . . . . A 83 LYS CD . 36336 1 1018 . 1 . 1 83 83 LYS CE C 13 42.093 0.300 . 1 . . . . A 83 LYS CE . 36336 1 1019 . 1 . 1 83 83 LYS N N 15 117.464 0.300 . 1 . . . . A 83 LYS N . 36336 1 1020 . 1 . 1 84 84 GLN H H 1 8.032 0.030 . 1 . . . . A 84 GLN H . 36336 1 1021 . 1 . 1 84 84 GLN HA H 1 3.983 0.030 . 1 . . . . A 84 GLN HA . 36336 1 1022 . 1 . 1 84 84 GLN HB2 H 1 1.960 0.030 . 2 . . . . A 84 GLN HB2 . 36336 1 1023 . 1 . 1 84 84 GLN HB3 H 1 2.202 0.030 . 2 . . . . A 84 GLN HB3 . 36336 1 1024 . 1 . 1 84 84 GLN HG2 H 1 2.365 0.030 . 2 . . . . A 84 GLN HG2 . 36336 1 1025 . 1 . 1 84 84 GLN HG3 H 1 2.424 0.030 . 2 . . . . A 84 GLN HG3 . 36336 1 1026 . 1 . 1 84 84 GLN HE21 H 1 6.609 0.030 . 2 . . . . A 84 GLN HE21 . 36336 1 1027 . 1 . 1 84 84 GLN HE22 H 1 7.279 0.030 . 2 . . . . A 84 GLN HE22 . 36336 1 1028 . 1 . 1 84 84 GLN C C 13 177.494 0.300 . 1 . . . . A 84 GLN C . 36336 1 1029 . 1 . 1 84 84 GLN CA C 13 58.452 0.300 . 1 . . . . A 84 GLN CA . 36336 1 1030 . 1 . 1 84 84 GLN CB C 13 28.402 0.300 . 1 . . . . A 84 GLN CB . 36336 1 1031 . 1 . 1 84 84 GLN CG C 13 34.005 0.300 . 1 . . . . A 84 GLN CG . 36336 1 1032 . 1 . 1 84 84 GLN N N 15 117.501 0.300 . 1 . . . . A 84 GLN N . 36336 1 1033 . 1 . 1 84 84 GLN NE2 N 15 109.317 0.300 . 1 . . . . A 84 GLN NE2 . 36336 1 1034 . 1 . 1 85 85 ALA H H 1 7.666 0.030 . 1 . . . . A 85 ALA H . 36336 1 1035 . 1 . 1 85 85 ALA HA H 1 3.752 0.030 . 1 . . . . A 85 ALA HA . 36336 1 1036 . 1 . 1 85 85 ALA HB1 H 1 1.399 0.030 . 1 . . . . A 85 ALA HB1 . 36336 1 1037 . 1 . 1 85 85 ALA HB2 H 1 1.399 0.030 . 1 . . . . A 85 ALA HB2 . 36336 1 1038 . 1 . 1 85 85 ALA HB3 H 1 1.399 0.030 . 1 . . . . A 85 ALA HB3 . 36336 1 1039 . 1 . 1 85 85 ALA C C 13 178.809 0.300 . 1 . . . . A 85 ALA C . 36336 1 1040 . 1 . 1 85 85 ALA CA C 13 55.176 0.300 . 1 . . . . A 85 ALA CA . 36336 1 1041 . 1 . 1 85 85 ALA CB C 13 18.700 0.300 . 1 . . . . A 85 ALA CB . 36336 1 1042 . 1 . 1 85 85 ALA N N 15 121.664 0.300 . 1 . . . . A 85 ALA N . 36336 1 1043 . 1 . 1 86 86 VAL H H 1 7.818 0.030 . 1 . . . . A 86 VAL H . 36336 1 1044 . 1 . 1 86 86 VAL HA H 1 3.206 0.030 . 1 . . . . A 86 VAL HA . 36336 1 1045 . 1 . 1 86 86 VAL HB H 1 1.882 0.030 . 1 . . . . A 86 VAL HB . 36336 1 1046 . 1 . 1 86 86 VAL HG11 H 1 0.618 0.030 . 2 . . . . A 86 VAL HG11 . 36336 1 1047 . 1 . 1 86 86 VAL HG12 H 1 0.618 0.030 . 2 . . . . A 86 VAL HG12 . 36336 1 1048 . 1 . 1 86 86 VAL HG13 H 1 0.618 0.030 . 2 . . . . A 86 VAL HG13 . 36336 1 1049 . 1 . 1 86 86 VAL HG21 H 1 0.782 0.030 . 2 . . . . A 86 VAL HG21 . 36336 1 1050 . 1 . 1 86 86 VAL HG22 H 1 0.782 0.030 . 2 . . . . A 86 VAL HG22 . 36336 1 1051 . 1 . 1 86 86 VAL HG23 H 1 0.782 0.030 . 2 . . . . A 86 VAL HG23 . 36336 1 1052 . 1 . 1 86 86 VAL C C 13 177.029 0.300 . 1 . . . . A 86 VAL C . 36336 1 1053 . 1 . 1 86 86 VAL CA C 13 66.785 0.300 . 1 . . . . A 86 VAL CA . 36336 1 1054 . 1 . 1 86 86 VAL CB C 13 31.523 0.300 . 1 . . . . A 86 VAL CB . 36336 1 1055 . 1 . 1 86 86 VAL CG1 C 13 24.211 0.300 . 2 . . . . A 86 VAL CG1 . 36336 1 1056 . 1 . 1 86 86 VAL CG2 C 13 21.316 0.300 . 2 . . . . A 86 VAL CG2 . 36336 1 1057 . 1 . 1 86 86 VAL N N 15 116.838 0.300 . 1 . . . . A 86 VAL N . 36336 1 1058 . 1 . 1 87 87 LYS H H 1 7.480 0.030 . 1 . . . . A 87 LYS H . 36336 1 1059 . 1 . 1 87 87 LYS HA H 1 4.057 0.030 . 1 . . . . A 87 LYS HA . 36336 1 1060 . 1 . 1 87 87 LYS HG2 H 1 1.350 0.030 . 1 . . . . A 87 LYS HG2 . 36336 1 1061 . 1 . 1 87 87 LYS HG3 H 1 1.350 0.030 . 1 . . . . A 87 LYS HG3 . 36336 1 1062 . 1 . 1 87 87 LYS HD2 H 1 1.680 0.030 . 1 . . . . A 87 LYS HD2 . 36336 1 1063 . 1 . 1 87 87 LYS HD3 H 1 1.680 0.030 . 1 . . . . A 87 LYS HD3 . 36336 1 1064 . 1 . 1 87 87 LYS C C 13 179.405 0.300 . 1 . . . . A 87 LYS C . 36336 1 1065 . 1 . 1 87 87 LYS CA C 13 59.403 0.300 . 1 . . . . A 87 LYS CA . 36336 1 1066 . 1 . 1 87 87 LYS CB C 13 32.201 0.300 . 1 . . . . A 87 LYS CB . 36336 1 1067 . 1 . 1 87 87 LYS CG C 13 24.854 0.300 . 1 . . . . A 87 LYS CG . 36336 1 1068 . 1 . 1 87 87 LYS N N 15 119.630 0.300 . 1 . . . . A 87 LYS N . 36336 1 1069 . 1 . 1 88 88 VAL H H 1 7.711 0.030 . 1 . . . . A 88 VAL H . 36336 1 1070 . 1 . 1 88 88 VAL HA H 1 3.768 0.030 . 1 . . . . A 88 VAL HA . 36336 1 1071 . 1 . 1 88 88 VAL HB H 1 2.050 0.030 . 1 . . . . A 88 VAL HB . 36336 1 1072 . 1 . 1 88 88 VAL HG11 H 1 0.935 0.030 . 2 . . . . A 88 VAL HG11 . 36336 1 1073 . 1 . 1 88 88 VAL HG12 H 1 0.935 0.030 . 2 . . . . A 88 VAL HG12 . 36336 1 1074 . 1 . 1 88 88 VAL HG13 H 1 0.935 0.030 . 2 . . . . A 88 VAL HG13 . 36336 1 1075 . 1 . 1 88 88 VAL HG21 H 1 1.040 0.030 . 2 . . . . A 88 VAL HG21 . 36336 1 1076 . 1 . 1 88 88 VAL HG22 H 1 1.040 0.030 . 2 . . . . A 88 VAL HG22 . 36336 1 1077 . 1 . 1 88 88 VAL HG23 H 1 1.040 0.030 . 2 . . . . A 88 VAL HG23 . 36336 1 1078 . 1 . 1 88 88 VAL C C 13 178.624 0.300 . 1 . . . . A 88 VAL C . 36336 1 1079 . 1 . 1 88 88 VAL CA C 13 65.904 0.300 . 1 . . . . A 88 VAL CA . 36336 1 1080 . 1 . 1 88 88 VAL CB C 13 31.686 0.300 . 1 . . . . A 88 VAL CB . 36336 1 1081 . 1 . 1 88 88 VAL CG1 C 13 21.532 0.300 . 2 . . . . A 88 VAL CG1 . 36336 1 1082 . 1 . 1 88 88 VAL CG2 C 13 23.033 0.300 . 2 . . . . A 88 VAL CG2 . 36336 1 1083 . 1 . 1 88 88 VAL N N 15 118.582 0.300 . 1 . . . . A 88 VAL N . 36336 1 1084 . 1 . 1 89 89 MET H H 1 8.283 0.030 . 1 . . . . A 89 MET H . 36336 1 1085 . 1 . 1 89 89 MET HA H 1 4.097 0.030 . 1 . . . . A 89 MET HA . 36336 1 1086 . 1 . 1 89 89 MET HB2 H 1 2.281 0.030 . 2 . . . . A 89 MET HB2 . 36336 1 1087 . 1 . 1 89 89 MET HB3 H 1 2.525 0.030 . 2 . . . . A 89 MET HB3 . 36336 1 1088 . 1 . 1 89 89 MET HG2 H 1 1.979 0.030 . 2 . . . . A 89 MET HG2 . 36336 1 1089 . 1 . 1 89 89 MET HG3 H 1 2.038 0.030 . 2 . . . . A 89 MET HG3 . 36336 1 1090 . 1 . 1 89 89 MET HE1 H 1 1.860 0.030 . 1 . . . . A 89 MET HE1 . 36336 1 1091 . 1 . 1 89 89 MET HE2 H 1 1.860 0.030 . 1 . . . . A 89 MET HE2 . 36336 1 1092 . 1 . 1 89 89 MET HE3 H 1 1.860 0.030 . 1 . . . . A 89 MET HE3 . 36336 1 1093 . 1 . 1 89 89 MET C C 13 178.299 0.300 . 1 . . . . A 89 MET C . 36336 1 1094 . 1 . 1 89 89 MET CA C 13 59.062 0.300 . 1 . . . . A 89 MET CA . 36336 1 1095 . 1 . 1 89 89 MET CB C 13 32.795 0.300 . 1 . . . . A 89 MET CB . 36336 1 1096 . 1 . 1 89 89 MET CG C 13 32.811 0.300 . 1 . . . . A 89 MET CG . 36336 1 1097 . 1 . 1 89 89 MET CE C 13 17.520 0.300 . 1 . . . . A 89 MET CE . 36336 1 1098 . 1 . 1 89 89 MET N N 15 119.977 0.300 . 1 . . . . A 89 MET N . 36336 1 1099 . 1 . 1 90 90 GLU H H 1 8.382 0.030 . 1 . . . . A 90 GLU H . 36336 1 1100 . 1 . 1 90 90 GLU HA H 1 3.752 0.030 . 1 . . . . A 90 GLU HA . 36336 1 1101 . 1 . 1 90 90 GLU HB2 H 1 1.858 0.030 . 2 . . . . A 90 GLU HB2 . 36336 1 1102 . 1 . 1 90 90 GLU HB3 H 1 2.072 0.030 . 2 . . . . A 90 GLU HB3 . 36336 1 1103 . 1 . 1 90 90 GLU HG2 H 1 2.177 0.030 . 1 . . . . A 90 GLU HG2 . 36336 1 1104 . 1 . 1 90 90 GLU HG3 H 1 2.177 0.030 . 1 . . . . A 90 GLU HG3 . 36336 1 1105 . 1 . 1 90 90 GLU C C 13 177.223 0.300 . 1 . . . . A 90 GLU C . 36336 1 1106 . 1 . 1 90 90 GLU CA C 13 59.123 0.300 . 1 . . . . A 90 GLU CA . 36336 1 1107 . 1 . 1 90 90 GLU CB C 13 29.271 0.300 . 1 . . . . A 90 GLU CB . 36336 1 1108 . 1 . 1 90 90 GLU CG C 13 36.459 0.300 . 1 . . . . A 90 GLU CG . 36336 1 1109 . 1 . 1 90 90 GLU N N 15 119.194 0.300 . 1 . . . . A 90 GLU N . 36336 1 1110 . 1 . 1 91 91 GLU H H 1 7.380 0.030 . 1 . . . . A 91 GLU H . 36336 1 1111 . 1 . 1 91 91 GLU HA H 1 3.982 0.030 . 1 . . . . A 91 GLU HA . 36336 1 1112 . 1 . 1 91 91 GLU HB2 H 1 2.077 0.030 . 2 . . . . A 91 GLU HB2 . 36336 1 1113 . 1 . 1 91 91 GLU HB3 H 1 2.222 0.030 . 2 . . . . A 91 GLU HB3 . 36336 1 1114 . 1 . 1 91 91 GLU HG2 H 1 2.475 0.030 . 1 . . . . A 91 GLU HG2 . 36336 1 1115 . 1 . 1 91 91 GLU HG3 H 1 2.475 0.030 . 1 . . . . A 91 GLU HG3 . 36336 1 1116 . 1 . 1 91 91 GLU C C 13 178.925 0.300 . 1 . . . . A 91 GLU C . 36336 1 1117 . 1 . 1 91 91 GLU CA C 13 58.615 0.300 . 1 . . . . A 91 GLU CA . 36336 1 1118 . 1 . 1 91 91 GLU CB C 13 29.569 0.300 . 1 . . . . A 91 GLU CB . 36336 1 1119 . 1 . 1 91 91 GLU CG C 13 36.500 0.300 . 1 . . . . A 91 GLU CG . 36336 1 1120 . 1 . 1 91 91 GLU N N 15 116.810 0.300 . 1 . . . . A 91 GLU N . 36336 1 1121 . 1 . 1 92 92 GLN H H 1 7.943 0.030 . 1 . . . . A 92 GLN H . 36336 1 1122 . 1 . 1 92 92 GLN HA H 1 4.150 0.030 . 1 . . . . A 92 GLN HA . 36336 1 1123 . 1 . 1 92 92 GLN HB2 H 1 2.153 0.030 . 1 . . . . A 92 GLN HB2 . 36336 1 1124 . 1 . 1 92 92 GLN HB3 H 1 2.153 0.030 . 1 . . . . A 92 GLN HB3 . 36336 1 1125 . 1 . 1 92 92 GLN HG2 H 1 2.430 0.030 . 2 . . . . A 92 GLN HG2 . 36336 1 1126 . 1 . 1 92 92 GLN HG3 H 1 2.638 0.030 . 2 . . . . A 92 GLN HG3 . 36336 1 1127 . 1 . 1 92 92 GLN HE21 H 1 6.812 0.030 . 2 . . . . A 92 GLN HE21 . 36336 1 1128 . 1 . 1 92 92 GLN HE22 H 1 7.395 0.030 . 2 . . . . A 92 GLN HE22 . 36336 1 1129 . 1 . 1 92 92 GLN C C 13 177.159 0.300 . 1 . . . . A 92 GLN C . 36336 1 1130 . 1 . 1 92 92 GLN CA C 13 58.033 0.300 . 1 . . . . A 92 GLN CA . 36336 1 1131 . 1 . 1 92 92 GLN CB C 13 29.766 0.300 . 1 . . . . A 92 GLN CB . 36336 1 1132 . 1 . 1 92 92 GLN CG C 13 34.334 0.300 . 1 . . . . A 92 GLN CG . 36336 1 1133 . 1 . 1 92 92 GLN N N 15 116.408 0.300 . 1 . . . . A 92 GLN N . 36336 1 1134 . 1 . 1 92 92 GLN NE2 N 15 110.634 0.300 . 1 . . . . A 92 GLN NE2 . 36336 1 1135 . 1 . 1 93 93 GLU H H 1 8.323 0.030 . 1 . . . . A 93 GLU H . 36336 1 1136 . 1 . 1 93 93 GLU HA H 1 4.858 0.030 . 1 . . . . A 93 GLU HA . 36336 1 1137 . 1 . 1 93 93 GLU HB2 H 1 1.981 0.030 . 2 . . . . A 93 GLU HB2 . 36336 1 1138 . 1 . 1 93 93 GLU HB3 H 1 2.165 0.030 . 2 . . . . A 93 GLU HB3 . 36336 1 1139 . 1 . 1 93 93 GLU HG2 H 1 2.197 0.030 . 1 . . . . A 93 GLU HG2 . 36336 1 1140 . 1 . 1 93 93 GLU HG3 H 1 2.197 0.030 . 1 . . . . A 93 GLU HG3 . 36336 1 1141 . 1 . 1 93 93 GLU CA C 13 53.988 0.300 . 1 . . . . A 93 GLU CA . 36336 1 1142 . 1 . 1 93 93 GLU CB C 13 31.234 0.300 . 1 . . . . A 93 GLU CB . 36336 1 1143 . 1 . 1 93 93 GLU CG C 13 36.362 0.300 . 1 . . . . A 93 GLU CG . 36336 1 1144 . 1 . 1 93 93 GLU N N 15 117.651 0.300 . 1 . . . . A 93 GLU N . 36336 1 1145 . 1 . 1 94 94 PRO HA H 1 4.478 0.030 . 1 . . . . A 94 PRO HA . 36336 1 1146 . 1 . 1 94 94 PRO HB2 H 1 1.848 0.030 . 2 . . . . A 94 PRO HB2 . 36336 1 1147 . 1 . 1 94 94 PRO HB3 H 1 2.430 0.030 . 2 . . . . A 94 PRO HB3 . 36336 1 1148 . 1 . 1 94 94 PRO HG2 H 1 1.841 0.030 . 2 . . . . A 94 PRO HG2 . 36336 1 1149 . 1 . 1 94 94 PRO HG3 H 1 2.034 0.030 . 2 . . . . A 94 PRO HG3 . 36336 1 1150 . 1 . 1 94 94 PRO HD2 H 1 3.346 0.030 . 2 . . . . A 94 PRO HD2 . 36336 1 1151 . 1 . 1 94 94 PRO HD3 H 1 3.555 0.030 . 2 . . . . A 94 PRO HD3 . 36336 1 1152 . 1 . 1 94 94 PRO C C 13 177.708 0.300 . 1 . . . . A 94 PRO C . 36336 1 1153 . 1 . 1 94 94 PRO CA C 13 64.853 0.300 . 1 . . . . A 94 PRO CA . 36336 1 1154 . 1 . 1 94 94 PRO CB C 13 32.080 0.300 . 1 . . . . A 94 PRO CB . 36336 1 1155 . 1 . 1 94 94 PRO CG C 13 27.055 0.300 . 1 . . . . A 94 PRO CG . 36336 1 1156 . 1 . 1 94 94 PRO CD C 13 50.109 0.300 . 1 . . . . A 94 PRO CD . 36336 1 1157 . 1 . 1 95 95 ASN H H 1 8.490 0.030 . 1 . . . . A 95 ASN H . 36336 1 1158 . 1 . 1 95 95 ASN HA H 1 4.829 0.030 . 1 . . . . A 95 ASN HA . 36336 1 1159 . 1 . 1 95 95 ASN HB2 H 1 2.698 0.030 . 2 . . . . A 95 ASN HB2 . 36336 1 1160 . 1 . 1 95 95 ASN HB3 H 1 2.932 0.030 . 2 . . . . A 95 ASN HB3 . 36336 1 1161 . 1 . 1 95 95 ASN HD21 H 1 6.956 0.030 . 2 . . . . A 95 ASN HD21 . 36336 1 1162 . 1 . 1 95 95 ASN HD22 H 1 7.552 0.030 . 2 . . . . A 95 ASN HD22 . 36336 1 1163 . 1 . 1 95 95 ASN C C 13 174.912 0.300 . 1 . . . . A 95 ASN C . 36336 1 1164 . 1 . 1 95 95 ASN CA C 13 52.296 0.300 . 1 . . . . A 95 ASN CA . 36336 1 1165 . 1 . 1 95 95 ASN CB C 13 38.863 0.300 . 1 . . . . A 95 ASN CB . 36336 1 1166 . 1 . 1 95 95 ASN N N 15 113.653 0.300 . 1 . . . . A 95 ASN N . 36336 1 1167 . 1 . 1 95 95 ASN ND2 N 15 113.538 0.300 . 1 . . . . A 95 ASN ND2 . 36336 1 1168 . 1 . 1 96 96 ASN H H 1 7.539 0.030 . 1 . . . . A 96 ASN H . 36336 1 1169 . 1 . 1 96 96 ASN HA H 1 4.938 0.030 . 1 . . . . A 96 ASN HA . 36336 1 1170 . 1 . 1 96 96 ASN HB2 H 1 2.972 0.030 . 2 . . . . A 96 ASN HB2 . 36336 1 1171 . 1 . 1 96 96 ASN HB3 H 1 3.051 0.030 . 2 . . . . A 96 ASN HB3 . 36336 1 1172 . 1 . 1 96 96 ASN HD21 H 1 7.677 0.030 . 2 . . . . A 96 ASN HD21 . 36336 1 1173 . 1 . 1 96 96 ASN HD22 H 1 8.045 0.030 . 2 . . . . A 96 ASN HD22 . 36336 1 1174 . 1 . 1 96 96 ASN CA C 13 51.197 0.300 . 1 . . . . A 96 ASN CA . 36336 1 1175 . 1 . 1 96 96 ASN CB C 13 39.331 0.300 . 1 . . . . A 96 ASN CB . 36336 1 1176 . 1 . 1 96 96 ASN N N 15 121.175 0.300 . 1 . . . . A 96 ASN N . 36336 1 1177 . 1 . 1 96 96 ASN ND2 N 15 114.036 0.300 . 1 . . . . A 96 ASN ND2 . 36336 1 1178 . 1 . 1 97 97 PRO HA H 1 4.327 0.030 . 1 . . . . A 97 PRO HA . 36336 1 1179 . 1 . 1 97 97 PRO HB2 H 1 2.099 0.030 . 2 . . . . A 97 PRO HB2 . 36336 1 1180 . 1 . 1 97 97 PRO HB3 H 1 2.363 0.030 . 2 . . . . A 97 PRO HB3 . 36336 1 1181 . 1 . 1 97 97 PRO HG2 H 1 2.110 0.030 . 1 . . . . A 97 PRO HG2 . 36336 1 1182 . 1 . 1 97 97 PRO HG3 H 1 2.110 0.030 . 1 . . . . A 97 PRO HG3 . 36336 1 1183 . 1 . 1 97 97 PRO HD2 H 1 3.955 0.030 . 2 . . . . A 97 PRO HD2 . 36336 1 1184 . 1 . 1 97 97 PRO HD3 H 1 4.250 0.030 . 2 . . . . A 97 PRO HD3 . 36336 1 1185 . 1 . 1 97 97 PRO C C 13 179.272 0.300 . 1 . . . . A 97 PRO C . 36336 1 1186 . 1 . 1 97 97 PRO CA C 13 64.837 0.300 . 1 . . . . A 97 PRO CA . 36336 1 1187 . 1 . 1 97 97 PRO CB C 13 32.170 0.300 . 1 . . . . A 97 PRO CB . 36336 1 1188 . 1 . 1 97 97 PRO CG C 13 27.256 0.300 . 1 . . . . A 97 PRO CG . 36336 1 1189 . 1 . 1 97 97 PRO CD C 13 51.345 0.300 . 1 . . . . A 97 PRO CD . 36336 1 1190 . 1 . 1 98 98 GLU H H 1 8.047 0.030 . 1 . . . . A 98 GLU H . 36336 1 1191 . 1 . 1 98 98 GLU HA H 1 4.049 0.030 . 1 . . . . A 98 GLU HA . 36336 1 1192 . 1 . 1 98 98 GLU HB2 H 1 1.959 0.030 . 2 . . . . A 98 GLU HB2 . 36336 1 1193 . 1 . 1 98 98 GLU HB3 H 1 2.233 0.030 . 2 . . . . A 98 GLU HB3 . 36336 1 1194 . 1 . 1 98 98 GLU HG2 H 1 2.427 0.030 . 1 . . . . A 98 GLU HG2 . 36336 1 1195 . 1 . 1 98 98 GLU HG3 H 1 2.427 0.030 . 1 . . . . A 98 GLU HG3 . 36336 1 1196 . 1 . 1 98 98 GLU C C 13 178.726 0.300 . 1 . . . . A 98 GLU C . 36336 1 1197 . 1 . 1 98 98 GLU CA C 13 59.709 0.300 . 1 . . . . A 98 GLU CA . 36336 1 1198 . 1 . 1 98 98 GLU CB C 13 29.763 0.300 . 1 . . . . A 98 GLU CB . 36336 1 1199 . 1 . 1 98 98 GLU CG C 13 37.329 0.300 . 1 . . . . A 98 GLU CG . 36336 1 1200 . 1 . 1 98 98 GLU N N 15 118.850 0.300 . 1 . . . . A 98 GLU N . 36336 1 1201 . 1 . 1 99 99 VAL H H 1 7.245 0.030 . 1 . . . . A 99 VAL H . 36336 1 1202 . 1 . 1 99 99 VAL HA H 1 3.394 0.030 . 1 . . . . A 99 VAL HA . 36336 1 1203 . 1 . 1 99 99 VAL HB H 1 2.245 0.030 . 1 . . . . A 99 VAL HB . 36336 1 1204 . 1 . 1 99 99 VAL HG11 H 1 0.784 0.030 . 2 . . . . A 99 VAL HG11 . 36336 1 1205 . 1 . 1 99 99 VAL HG12 H 1 0.784 0.030 . 2 . . . . A 99 VAL HG12 . 36336 1 1206 . 1 . 1 99 99 VAL HG13 H 1 0.784 0.030 . 2 . . . . A 99 VAL HG13 . 36336 1 1207 . 1 . 1 99 99 VAL HG21 H 1 0.914 0.030 . 2 . . . . A 99 VAL HG21 . 36336 1 1208 . 1 . 1 99 99 VAL HG22 H 1 0.914 0.030 . 2 . . . . A 99 VAL HG22 . 36336 1 1209 . 1 . 1 99 99 VAL HG23 H 1 0.914 0.030 . 2 . . . . A 99 VAL HG23 . 36336 1 1210 . 1 . 1 99 99 VAL C C 13 177.544 0.300 . 1 . . . . A 99 VAL C . 36336 1 1211 . 1 . 1 99 99 VAL CA C 13 66.382 0.300 . 1 . . . . A 99 VAL CA . 36336 1 1212 . 1 . 1 99 99 VAL CB C 13 31.766 0.300 . 1 . . . . A 99 VAL CB . 36336 1 1213 . 1 . 1 99 99 VAL CG1 C 13 21.256 0.300 . 2 . . . . A 99 VAL CG1 . 36336 1 1214 . 1 . 1 99 99 VAL CG2 C 13 23.537 0.300 . 2 . . . . A 99 VAL CG2 . 36336 1 1215 . 1 . 1 99 99 VAL N N 15 118.613 0.300 . 1 . . . . A 99 VAL N . 36336 1 1216 . 1 . 1 100 100 GLN H H 1 7.382 0.030 . 1 . . . . A 100 GLN H . 36336 1 1217 . 1 . 1 100 100 GLN HA H 1 3.894 0.030 . 1 . . . . A 100 GLN HA . 36336 1 1218 . 1 . 1 100 100 GLN HB2 H 1 2.151 0.030 . 1 . . . . A 100 GLN HB2 . 36336 1 1219 . 1 . 1 100 100 GLN HB3 H 1 2.151 0.030 . 1 . . . . A 100 GLN HB3 . 36336 1 1220 . 1 . 1 100 100 GLN HG2 H 1 2.444 0.030 . 2 . . . . A 100 GLN HG2 . 36336 1 1221 . 1 . 1 100 100 GLN HG3 H 1 2.523 0.030 . 2 . . . . A 100 GLN HG3 . 36336 1 1222 . 1 . 1 100 100 GLN HE21 H 1 7.235 0.030 . 2 . . . . A 100 GLN HE21 . 36336 1 1223 . 1 . 1 100 100 GLN HE22 H 1 7.738 0.030 . 2 . . . . A 100 GLN HE22 . 36336 1 1224 . 1 . 1 100 100 GLN C C 13 179.170 0.300 . 1 . . . . A 100 GLN C . 36336 1 1225 . 1 . 1 100 100 GLN CA C 13 58.690 0.300 . 1 . . . . A 100 GLN CA . 36336 1 1226 . 1 . 1 100 100 GLN CB C 13 27.929 0.300 . 1 . . . . A 100 GLN CB . 36336 1 1227 . 1 . 1 100 100 GLN CG C 13 33.419 0.300 . 1 . . . . A 100 GLN CG . 36336 1 1228 . 1 . 1 100 100 GLN N N 15 116.469 0.300 . 1 . . . . A 100 GLN N . 36336 1 1229 . 1 . 1 100 100 GLN NE2 N 15 113.286 0.300 . 1 . . . . A 100 GLN NE2 . 36336 1 1230 . 1 . 1 101 101 GLU H H 1 7.967 0.030 . 1 . . . . A 101 GLU H . 36336 1 1231 . 1 . 1 101 101 GLU HG2 H 1 2.432 0.030 . 2 . . . . A 101 GLU HG2 . 36336 1 1232 . 1 . 1 101 101 GLU HG3 H 1 2.639 0.030 . 2 . . . . A 101 GLU HG3 . 36336 1 1233 . 1 . 1 101 101 GLU C C 13 179.221 0.300 . 1 . . . . A 101 GLU C . 36336 1 1234 . 1 . 1 101 101 GLU CA C 13 59.811 0.300 . 1 . . . . A 101 GLU CA . 36336 1 1235 . 1 . 1 101 101 GLU CB C 13 29.844 0.300 . 1 . . . . A 101 GLU CB . 36336 1 1236 . 1 . 1 101 101 GLU CG C 13 34.303 0.300 . 1 . . . . A 101 GLU CG . 36336 1 1237 . 1 . 1 101 101 GLU N N 15 119.231 0.300 . 1 . . . . A 101 GLU N . 36336 1 1238 . 1 . 1 102 102 LEU H H 1 8.048 0.030 . 1 . . . . A 102 LEU H . 36336 1 1239 . 1 . 1 102 102 LEU HA H 1 3.985 0.030 . 1 . . . . A 102 LEU HA . 36336 1 1240 . 1 . 1 102 102 LEU HB2 H 1 1.786 0.030 . 1 . . . . A 102 LEU HB2 . 36336 1 1241 . 1 . 1 102 102 LEU HB3 H 1 1.786 0.030 . 1 . . . . A 102 LEU HB3 . 36336 1 1242 . 1 . 1 102 102 LEU HD11 H 1 0.864 0.030 . 2 . . . . A 102 LEU HD11 . 36336 1 1243 . 1 . 1 102 102 LEU HD12 H 1 0.864 0.030 . 2 . . . . A 102 LEU HD12 . 36336 1 1244 . 1 . 1 102 102 LEU HD13 H 1 0.864 0.030 . 2 . . . . A 102 LEU HD13 . 36336 1 1245 . 1 . 1 102 102 LEU HD21 H 1 0.920 0.030 . 2 . . . . A 102 LEU HD21 . 36336 1 1246 . 1 . 1 102 102 LEU HD22 H 1 0.920 0.030 . 2 . . . . A 102 LEU HD22 . 36336 1 1247 . 1 . 1 102 102 LEU HD23 H 1 0.920 0.030 . 2 . . . . A 102 LEU HD23 . 36336 1 1248 . 1 . 1 102 102 LEU C C 13 177.865 0.300 . 1 . . . . A 102 LEU C . 36336 1 1249 . 1 . 1 102 102 LEU CA C 13 58.136 0.300 . 1 . . . . A 102 LEU CA . 36336 1 1250 . 1 . 1 102 102 LEU CB C 13 41.941 0.300 . 1 . . . . A 102 LEU CB . 36336 1 1251 . 1 . 1 102 102 LEU CD1 C 13 25.861 0.300 . 2 . . . . A 102 LEU CD1 . 36336 1 1252 . 1 . 1 102 102 LEU CD2 C 13 24.170 0.300 . 2 . . . . A 102 LEU CD2 . 36336 1 1253 . 1 . 1 102 102 LEU N N 15 121.814 0.300 . 1 . . . . A 102 LEU N . 36336 1 1254 . 1 . 1 103 103 LYS H H 1 8.437 0.030 . 1 . . . . A 103 LYS H . 36336 1 1255 . 1 . 1 103 103 LYS HA H 1 3.932 0.030 . 1 . . . . A 103 LYS HA . 36336 1 1256 . 1 . 1 103 103 LYS HB2 H 1 1.655 0.030 . 1 . . . . A 103 LYS HB2 . 36336 1 1257 . 1 . 1 103 103 LYS HB3 H 1 1.655 0.030 . 1 . . . . A 103 LYS HB3 . 36336 1 1258 . 1 . 1 103 103 LYS HG2 H 1 1.348 0.030 . 1 . . . . A 103 LYS HG2 . 36336 1 1259 . 1 . 1 103 103 LYS HG3 H 1 1.348 0.030 . 1 . . . . A 103 LYS HG3 . 36336 1 1260 . 1 . 1 103 103 LYS HE2 H 1 2.760 0.030 . 1 . . . . A 103 LYS HE2 . 36336 1 1261 . 1 . 1 103 103 LYS HE3 H 1 2.760 0.030 . 1 . . . . A 103 LYS HE3 . 36336 1 1262 . 1 . 1 103 103 LYS C C 13 178.647 0.300 . 1 . . . . A 103 LYS C . 36336 1 1263 . 1 . 1 103 103 LYS CA C 13 59.831 0.300 . 1 . . . . A 103 LYS CA . 36336 1 1264 . 1 . 1 103 103 LYS CB C 13 32.324 0.300 . 1 . . . . A 103 LYS CB . 36336 1 1265 . 1 . 1 103 103 LYS CG C 13 24.891 0.300 . 1 . . . . A 103 LYS CG . 36336 1 1266 . 1 . 1 103 103 LYS CE C 13 41.437 0.300 . 1 . . . . A 103 LYS CE . 36336 1 1267 . 1 . 1 103 103 LYS N N 15 119.303 0.300 . 1 . . . . A 103 LYS N . 36336 1 1268 . 1 . 1 104 104 LYS H H 1 7.817 0.030 . 1 . . . . A 104 LYS H . 36336 1 1269 . 1 . 1 104 104 LYS HA H 1 4.098 0.030 . 1 . . . . A 104 LYS HA . 36336 1 1270 . 1 . 1 104 104 LYS C C 13 178.717 0.300 . 1 . . . . A 104 LYS C . 36336 1 1271 . 1 . 1 104 104 LYS CA C 13 59.282 0.300 . 1 . . . . A 104 LYS CA . 36336 1 1272 . 1 . 1 104 104 LYS CB C 13 32.300 0.300 . 1 . . . . A 104 LYS CB . 36336 1 1273 . 1 . 1 104 104 LYS N N 15 118.734 0.300 . 1 . . . . A 104 LYS N . 36336 1 1274 . 1 . 1 105 105 ALA H H 1 7.891 0.030 . 1 . . . . A 105 ALA H . 36336 1 1275 . 1 . 1 105 105 ALA HA H 1 4.191 0.030 . 1 . . . . A 105 ALA HA . 36336 1 1276 . 1 . 1 105 105 ALA HB1 H 1 1.500 0.030 . 1 . . . . A 105 ALA HB1 . 36336 1 1277 . 1 . 1 105 105 ALA HB2 H 1 1.500 0.030 . 1 . . . . A 105 ALA HB2 . 36336 1 1278 . 1 . 1 105 105 ALA HB3 H 1 1.500 0.030 . 1 . . . . A 105 ALA HB3 . 36336 1 1279 . 1 . 1 105 105 ALA C C 13 179.365 0.300 . 1 . . . . A 105 ALA C . 36336 1 1280 . 1 . 1 105 105 ALA CA C 13 54.965 0.300 . 1 . . . . A 105 ALA CA . 36336 1 1281 . 1 . 1 105 105 ALA CB C 13 18.072 0.300 . 1 . . . . A 105 ALA CB . 36336 1 1282 . 1 . 1 105 105 ALA N N 15 121.312 0.300 . 1 . . . . A 105 ALA N . 36336 1 1283 . 1 . 1 106 106 MET H H 1 8.295 0.030 . 1 . . . . A 106 MET H . 36336 1 1284 . 1 . 1 106 106 MET HA H 1 3.959 0.030 . 1 . . . . A 106 MET HA . 36336 1 1285 . 1 . 1 106 106 MET HB2 H 1 2.240 0.030 . 2 . . . . A 106 MET HB2 . 36336 1 1286 . 1 . 1 106 106 MET HB3 H 1 2.478 0.030 . 2 . . . . A 106 MET HB3 . 36336 1 1287 . 1 . 1 106 106 MET HG2 H 1 2.681 0.030 . 2 . . . . A 106 MET HG2 . 36336 1 1288 . 1 . 1 106 106 MET HG3 H 1 2.759 0.030 . 2 . . . . A 106 MET HG3 . 36336 1 1289 . 1 . 1 106 106 MET HE1 H 1 2.219 0.030 . 1 . . . . A 106 MET HE1 . 36336 1 1290 . 1 . 1 106 106 MET HE2 H 1 2.219 0.030 . 1 . . . . A 106 MET HE2 . 36336 1 1291 . 1 . 1 106 106 MET HE3 H 1 2.219 0.030 . 1 . . . . A 106 MET HE3 . 36336 1 1292 . 1 . 1 106 106 MET C C 13 177.886 0.300 . 1 . . . . A 106 MET C . 36336 1 1293 . 1 . 1 106 106 MET CA C 13 58.887 0.300 . 1 . . . . A 106 MET CA . 36336 1 1294 . 1 . 1 106 106 MET CB C 13 33.565 0.300 . 1 . . . . A 106 MET CB . 36336 1 1295 . 1 . 1 106 106 MET CG C 13 31.720 0.300 . 1 . . . . A 106 MET CG . 36336 1 1296 . 1 . 1 106 106 MET CE C 13 17.328 0.300 . 1 . . . . A 106 MET CE . 36336 1 1297 . 1 . 1 106 106 MET N N 15 117.423 0.300 . 1 . . . . A 106 MET N . 36336 1 1298 . 1 . 1 107 107 GLU H H 1 8.278 0.030 . 1 . . . . A 107 GLU H . 36336 1 1299 . 1 . 1 107 107 GLU HA H 1 4.072 0.030 . 1 . . . . A 107 GLU HA . 36336 1 1300 . 1 . 1 107 107 GLU HB2 H 1 2.010 0.030 . 1 . . . . A 107 GLU HB2 . 36336 1 1301 . 1 . 1 107 107 GLU HB3 H 1 2.010 0.030 . 1 . . . . A 107 GLU HB3 . 36336 1 1302 . 1 . 1 107 107 GLU HG2 H 1 2.505 0.030 . 1 . . . . A 107 GLU HG2 . 36336 1 1303 . 1 . 1 107 107 GLU HG3 H 1 2.505 0.030 . 1 . . . . A 107 GLU HG3 . 36336 1 1304 . 1 . 1 107 107 GLU C C 13 179.426 0.300 . 1 . . . . A 107 GLU C . 36336 1 1305 . 1 . 1 107 107 GLU CA C 13 59.105 0.300 . 1 . . . . A 107 GLU CA . 36336 1 1306 . 1 . 1 107 107 GLU CB C 13 29.621 0.300 . 1 . . . . A 107 GLU CB . 36336 1 1307 . 1 . 1 107 107 GLU CG C 13 36.756 0.300 . 1 . . . . A 107 GLU CG . 36336 1 1308 . 1 . 1 107 107 GLU N N 15 119.970 0.300 . 1 . . . . A 107 GLU N . 36336 1 1309 . 1 . 1 108 108 GLU H H 1 8.335 0.030 . 1 . . . . A 108 GLU H . 36336 1 1310 . 1 . 1 108 108 GLU HA H 1 4.104 0.030 . 1 . . . . A 108 GLU HA . 36336 1 1311 . 1 . 1 108 108 GLU C C 13 178.667 0.300 . 1 . . . . A 108 GLU C . 36336 1 1312 . 1 . 1 108 108 GLU CA C 13 58.325 0.300 . 1 . . . . A 108 GLU CA . 36336 1 1313 . 1 . 1 108 108 GLU CB C 13 29.480 0.300 . 1 . . . . A 108 GLU CB . 36336 1 1314 . 1 . 1 108 108 GLU CG C 13 32.785 0.300 . 1 . . . . A 108 GLU CG . 36336 1 1315 . 1 . 1 108 108 GLU N N 15 119.698 0.300 . 1 . . . . A 108 GLU N . 36336 1 1316 . 1 . 1 109 109 ALA H H 1 8.191 0.030 . 1 . . . . A 109 ALA H . 36336 1 1317 . 1 . 1 109 109 ALA HA H 1 4.088 0.030 . 1 . . . . A 109 ALA HA . 36336 1 1318 . 1 . 1 109 109 ALA HB1 H 1 1.448 0.030 . 1 . . . . A 109 ALA HB1 . 36336 1 1319 . 1 . 1 109 109 ALA HB2 H 1 1.448 0.030 . 1 . . . . A 109 ALA HB2 . 36336 1 1320 . 1 . 1 109 109 ALA HB3 H 1 1.448 0.030 . 1 . . . . A 109 ALA HB3 . 36336 1 1321 . 1 . 1 109 109 ALA C C 13 178.860 0.300 . 1 . . . . A 109 ALA C . 36336 1 1322 . 1 . 1 109 109 ALA CA C 13 54.365 0.300 . 1 . . . . A 109 ALA CA . 36336 1 1323 . 1 . 1 109 109 ALA CB C 13 18.443 0.300 . 1 . . . . A 109 ALA CB . 36336 1 1324 . 1 . 1 109 109 ALA N N 15 122.009 0.300 . 1 . . . . A 109 ALA N . 36336 1 1325 . 1 . 1 110 110 GLU H H 1 7.759 0.030 . 1 . . . . A 110 GLU H . 36336 1 1326 . 1 . 1 110 110 GLU HA H 1 4.217 0.030 . 1 . . . . A 110 GLU HA . 36336 1 1327 . 1 . 1 110 110 GLU HB2 H 1 2.054 0.030 . 2 . . . . A 110 GLU HB2 . 36336 1 1328 . 1 . 1 110 110 GLU HB3 H 1 2.129 0.030 . 2 . . . . A 110 GLU HB3 . 36336 1 1329 . 1 . 1 110 110 GLU HG2 H 1 2.298 0.030 . 1 . . . . A 110 GLU HG2 . 36336 1 1330 . 1 . 1 110 110 GLU HG3 H 1 2.298 0.030 . 1 . . . . A 110 GLU HG3 . 36336 1 1331 . 1 . 1 110 110 GLU C C 13 177.437 0.300 . 1 . . . . A 110 GLU C . 36336 1 1332 . 1 . 1 110 110 GLU CA C 13 57.358 0.300 . 1 . . . . A 110 GLU CA . 36336 1 1333 . 1 . 1 110 110 GLU CB C 13 30.055 0.300 . 1 . . . . A 110 GLU CB . 36336 1 1334 . 1 . 1 110 110 GLU CG C 13 36.304 0.300 . 1 . . . . A 110 GLU CG . 36336 1 1335 . 1 . 1 110 110 GLU N N 15 116.685 0.300 . 1 . . . . A 110 GLU N . 36336 1 1336 . 1 . 1 111 111 ARG H H 1 7.806 0.030 . 1 . . . . A 111 ARG H . 36336 1 1337 . 1 . 1 111 111 ARG HA H 1 3.959 0.030 . 1 . . . . A 111 ARG HA . 36336 1 1338 . 1 . 1 111 111 ARG HG2 H 1 1.840 0.030 . 1 . . . . A 111 ARG HG2 . 36336 1 1339 . 1 . 1 111 111 ARG HG3 H 1 1.840 0.030 . 1 . . . . A 111 ARG HG3 . 36336 1 1340 . 1 . 1 111 111 ARG C C 13 177.512 0.300 . 1 . . . . A 111 ARG C . 36336 1 1341 . 1 . 1 111 111 ARG CA C 13 57.982 0.300 . 1 . . . . A 111 ARG CA . 36336 1 1342 . 1 . 1 111 111 ARG CB C 13 30.623 0.300 . 1 . . . . A 111 ARG CB . 36336 1 1343 . 1 . 1 111 111 ARG CG C 13 29.345 0.300 . 1 . . . . A 111 ARG CG . 36336 1 1344 . 1 . 1 111 111 ARG N N 15 120.367 0.300 . 1 . . . . A 111 ARG N . 36336 1 1345 . 1 . 1 112 112 GLY H H 1 8.299 0.030 . 1 . . . . A 112 GLY H . 36336 1 1346 . 1 . 1 112 112 GLY HA2 H 1 3.916 0.030 . 2 . . . . A 112 GLY HA2 . 36336 1 1347 . 1 . 1 112 112 GLY HA3 H 1 4.029 0.030 . 2 . . . . A 112 GLY HA3 . 36336 1 1348 . 1 . 1 112 112 GLY C C 13 174.335 0.300 . 1 . . . . A 112 GLY C . 36336 1 1349 . 1 . 1 112 112 GLY CA C 13 45.633 0.300 . 1 . . . . A 112 GLY CA . 36336 1 1350 . 1 . 1 112 112 GLY N N 15 108.508 0.300 . 1 . . . . A 112 GLY N . 36336 1 1351 . 1 . 1 113 113 SER H H 1 8.061 0.030 . 1 . . . . A 113 SER H . 36336 1 1352 . 1 . 1 113 113 SER HA H 1 4.453 0.030 . 1 . . . . A 113 SER HA . 36336 1 1353 . 1 . 1 113 113 SER HB2 H 1 3.898 0.030 . 1 . . . . A 113 SER HB2 . 36336 1 1354 . 1 . 1 113 113 SER HB3 H 1 3.898 0.030 . 1 . . . . A 113 SER HB3 . 36336 1 1355 . 1 . 1 113 113 SER C C 13 174.760 0.300 . 1 . . . . A 113 SER C . 36336 1 1356 . 1 . 1 113 113 SER CA C 13 58.620 0.300 . 1 . . . . A 113 SER CA . 36336 1 1357 . 1 . 1 113 113 SER CB C 13 63.913 0.300 . 1 . . . . A 113 SER CB . 36336 1 1358 . 1 . 1 113 113 SER N N 15 115.471 0.300 . 1 . . . . A 113 SER N . 36336 1 1359 . 1 . 1 114 114 LEU H H 1 8.232 0.030 . 1 . . . . A 114 LEU H . 36336 1 1360 . 1 . 1 114 114 LEU HA H 1 4.314 0.030 . 1 . . . . A 114 LEU HA . 36336 1 1361 . 1 . 1 114 114 LEU HB2 H 1 1.544 0.030 . 2 . . . . A 114 LEU HB2 . 36336 1 1362 . 1 . 1 114 114 LEU HB3 H 1 1.626 0.030 . 2 . . . . A 114 LEU HB3 . 36336 1 1363 . 1 . 1 114 114 LEU HD11 H 1 0.833 0.030 . 2 . . . . A 114 LEU HD11 . 36336 1 1364 . 1 . 1 114 114 LEU HD12 H 1 0.833 0.030 . 2 . . . . A 114 LEU HD12 . 36336 1 1365 . 1 . 1 114 114 LEU HD13 H 1 0.833 0.030 . 2 . . . . A 114 LEU HD13 . 36336 1 1366 . 1 . 1 114 114 LEU HD21 H 1 0.899 0.030 . 2 . . . . A 114 LEU HD21 . 36336 1 1367 . 1 . 1 114 114 LEU HD22 H 1 0.899 0.030 . 2 . . . . A 114 LEU HD22 . 36336 1 1368 . 1 . 1 114 114 LEU HD23 H 1 0.899 0.030 . 2 . . . . A 114 LEU HD23 . 36336 1 1369 . 1 . 1 114 114 LEU C C 13 177.453 0.300 . 1 . . . . A 114 LEU C . 36336 1 1370 . 1 . 1 114 114 LEU CA C 13 55.538 0.300 . 1 . . . . A 114 LEU CA . 36336 1 1371 . 1 . 1 114 114 LEU CB C 13 42.256 0.300 . 1 . . . . A 114 LEU CB . 36336 1 1372 . 1 . 1 114 114 LEU CD1 C 13 23.422 0.300 . 2 . . . . A 114 LEU CD1 . 36336 1 1373 . 1 . 1 114 114 LEU CD2 C 13 25.070 0.300 . 2 . . . . A 114 LEU CD2 . 36336 1 1374 . 1 . 1 114 114 LEU N N 15 123.795 0.300 . 1 . . . . A 114 LEU N . 36336 1 1375 . 1 . 1 115 115 GLU H H 1 8.251 0.030 . 1 . . . . A 115 GLU H . 36336 1 1376 . 1 . 1 115 115 GLU HA H 1 4.166 0.030 . 1 . . . . A 115 GLU HA . 36336 1 1377 . 1 . 1 115 115 GLU HB2 H 1 1.842 0.030 . 2 . . . . A 115 GLU HB2 . 36336 1 1378 . 1 . 1 115 115 GLU HB3 H 1 1.895 0.030 . 2 . . . . A 115 GLU HB3 . 36336 1 1379 . 1 . 1 115 115 GLU HG2 H 1 2.134 0.030 . 2 . . . . A 115 GLU HG2 . 36336 1 1380 . 1 . 1 115 115 GLU HG3 H 1 2.199 0.030 . 2 . . . . A 115 GLU HG3 . 36336 1 1381 . 1 . 1 115 115 GLU CA C 13 56.790 0.300 . 1 . . . . A 115 GLU CA . 36336 1 1382 . 1 . 1 115 115 GLU CB C 13 30.298 0.300 . 1 . . . . A 115 GLU CB . 36336 1 1383 . 1 . 1 115 115 GLU CG C 13 36.278 0.300 . 1 . . . . A 115 GLU CG . 36336 1 1384 . 1 . 1 115 115 GLU N N 15 120.643 0.300 . 1 . . . . A 115 GLU N . 36336 1 stop_ save_