data_36338 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36338 _Entry.Title ; Solution NMR structure of fold-K Mussoc; 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' 36338 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. . . . 36338 2 T. Nagashima T. . . . 36338 3 K. Sakuma K. . . . 36338 4 T. Kosugi T. . . . 36338 5 R. Koga R. . . . 36338 6 N. Koga N. . . . 36338 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 36338 'de novo designed protein' . 36338 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36338 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 513 36338 '15N chemical shifts' 123 36338 '1H chemical shifts' 792 36338 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' 36338 1 . . 2022-01-28 2020-03-25 original author 'original release' 36338 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' 36338 BMRB 36336 'Solution NMR structure of fold-C Rei; de novo designed protein with an asymmetric all-alpha topology' 36338 BMRB 36337 'Solution NMR structure of fold-Z Gogy; de novo designed protein with an asymmetric all-alpha topology' 36338 BMRB 36339 'Solution NMR structure of fold-U Nomur; de novo designed protein with an asymmetric all-alpha topology' 36338 PDB 7BQR . 36338 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36338 _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. . . . 36338 1 2 Naohiro Kobayashi N. . . . 36338 1 3 Toshihiko Sugiki T. . . . 36338 1 4 Toshio Nagashima T. . . . 36338 1 5 Toshimichi Fujiwara T. . . . 36338 1 6 Kano Suzuki K. . . . 36338 1 7 Naoya Kobayashi N. . . . 36338 1 8 Takeshi Murata T. . . . 36338 1 9 Takahiro Kosugi T. . . . 36338 1 10 Rie Tatsumi-Koga R. . . . 36338 1 11 Nobuyasu Koga N. . . . 36338 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36338 _Assembly.ID 1 _Assembly.Name Mussoc _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 . . . . . . 36338 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36338 _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 ; GDEDKEKLKREAERALSEAL SEFEKQGKITPETLKRLAEE IAEAALAQQQGDSERLEKAA RRFAETLLRALKESGASAEE IEEAIERIRKALSKAPSPQL QKLANSPQWQTALQEAIKKA RQEKKEKGSLEHHHHHH ; _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 137 _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 15536.427 _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 . 36338 1 2 2 ASP . 36338 1 3 3 GLU . 36338 1 4 4 ASP . 36338 1 5 5 LYS . 36338 1 6 6 GLU . 36338 1 7 7 LYS . 36338 1 8 8 LEU . 36338 1 9 9 LYS . 36338 1 10 10 ARG . 36338 1 11 11 GLU . 36338 1 12 12 ALA . 36338 1 13 13 GLU . 36338 1 14 14 ARG . 36338 1 15 15 ALA . 36338 1 16 16 LEU . 36338 1 17 17 SER . 36338 1 18 18 GLU . 36338 1 19 19 ALA . 36338 1 20 20 LEU . 36338 1 21 21 SER . 36338 1 22 22 GLU . 36338 1 23 23 PHE . 36338 1 24 24 GLU . 36338 1 25 25 LYS . 36338 1 26 26 GLN . 36338 1 27 27 GLY . 36338 1 28 28 LYS . 36338 1 29 29 ILE . 36338 1 30 30 THR . 36338 1 31 31 PRO . 36338 1 32 32 GLU . 36338 1 33 33 THR . 36338 1 34 34 LEU . 36338 1 35 35 LYS . 36338 1 36 36 ARG . 36338 1 37 37 LEU . 36338 1 38 38 ALA . 36338 1 39 39 GLU . 36338 1 40 40 GLU . 36338 1 41 41 ILE . 36338 1 42 42 ALA . 36338 1 43 43 GLU . 36338 1 44 44 ALA . 36338 1 45 45 ALA . 36338 1 46 46 LEU . 36338 1 47 47 ALA . 36338 1 48 48 GLN . 36338 1 49 49 GLN . 36338 1 50 50 GLN . 36338 1 51 51 GLY . 36338 1 52 52 ASP . 36338 1 53 53 SER . 36338 1 54 54 GLU . 36338 1 55 55 ARG . 36338 1 56 56 LEU . 36338 1 57 57 GLU . 36338 1 58 58 LYS . 36338 1 59 59 ALA . 36338 1 60 60 ALA . 36338 1 61 61 ARG . 36338 1 62 62 ARG . 36338 1 63 63 PHE . 36338 1 64 64 ALA . 36338 1 65 65 GLU . 36338 1 66 66 THR . 36338 1 67 67 LEU . 36338 1 68 68 LEU . 36338 1 69 69 ARG . 36338 1 70 70 ALA . 36338 1 71 71 LEU . 36338 1 72 72 LYS . 36338 1 73 73 GLU . 36338 1 74 74 SER . 36338 1 75 75 GLY . 36338 1 76 76 ALA . 36338 1 77 77 SER . 36338 1 78 78 ALA . 36338 1 79 79 GLU . 36338 1 80 80 GLU . 36338 1 81 81 ILE . 36338 1 82 82 GLU . 36338 1 83 83 GLU . 36338 1 84 84 ALA . 36338 1 85 85 ILE . 36338 1 86 86 GLU . 36338 1 87 87 ARG . 36338 1 88 88 ILE . 36338 1 89 89 ARG . 36338 1 90 90 LYS . 36338 1 91 91 ALA . 36338 1 92 92 LEU . 36338 1 93 93 SER . 36338 1 94 94 LYS . 36338 1 95 95 ALA . 36338 1 96 96 PRO . 36338 1 97 97 SER . 36338 1 98 98 PRO . 36338 1 99 99 GLN . 36338 1 100 100 LEU . 36338 1 101 101 GLN . 36338 1 102 102 LYS . 36338 1 103 103 LEU . 36338 1 104 104 ALA . 36338 1 105 105 ASN . 36338 1 106 106 SER . 36338 1 107 107 PRO . 36338 1 108 108 GLN . 36338 1 109 109 TRP . 36338 1 110 110 GLN . 36338 1 111 111 THR . 36338 1 112 112 ALA . 36338 1 113 113 LEU . 36338 1 114 114 GLN . 36338 1 115 115 GLU . 36338 1 116 116 ALA . 36338 1 117 117 ILE . 36338 1 118 118 LYS . 36338 1 119 119 LYS . 36338 1 120 120 ALA . 36338 1 121 121 ARG . 36338 1 122 122 GLN . 36338 1 123 123 GLU . 36338 1 124 124 LYS . 36338 1 125 125 LYS . 36338 1 126 126 GLU . 36338 1 127 127 LYS . 36338 1 128 128 GLY . 36338 1 129 129 SER . 36338 1 130 130 LEU . 36338 1 131 131 GLU . 36338 1 132 132 HIS . 36338 1 133 133 HIS . 36338 1 134 134 HIS . 36338 1 135 135 HIS . 36338 1 136 136 HIS . 36338 1 137 137 HIS . 36338 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 36338 1 . ASP 2 2 36338 1 . GLU 3 3 36338 1 . ASP 4 4 36338 1 . LYS 5 5 36338 1 . GLU 6 6 36338 1 . LYS 7 7 36338 1 . LEU 8 8 36338 1 . LYS 9 9 36338 1 . ARG 10 10 36338 1 . GLU 11 11 36338 1 . ALA 12 12 36338 1 . GLU 13 13 36338 1 . ARG 14 14 36338 1 . ALA 15 15 36338 1 . LEU 16 16 36338 1 . SER 17 17 36338 1 . GLU 18 18 36338 1 . ALA 19 19 36338 1 . LEU 20 20 36338 1 . SER 21 21 36338 1 . GLU 22 22 36338 1 . PHE 23 23 36338 1 . GLU 24 24 36338 1 . LYS 25 25 36338 1 . GLN 26 26 36338 1 . GLY 27 27 36338 1 . LYS 28 28 36338 1 . ILE 29 29 36338 1 . THR 30 30 36338 1 . PRO 31 31 36338 1 . GLU 32 32 36338 1 . THR 33 33 36338 1 . LEU 34 34 36338 1 . LYS 35 35 36338 1 . ARG 36 36 36338 1 . LEU 37 37 36338 1 . ALA 38 38 36338 1 . GLU 39 39 36338 1 . GLU 40 40 36338 1 . ILE 41 41 36338 1 . ALA 42 42 36338 1 . GLU 43 43 36338 1 . ALA 44 44 36338 1 . ALA 45 45 36338 1 . LEU 46 46 36338 1 . ALA 47 47 36338 1 . GLN 48 48 36338 1 . GLN 49 49 36338 1 . GLN 50 50 36338 1 . GLY 51 51 36338 1 . ASP 52 52 36338 1 . SER 53 53 36338 1 . GLU 54 54 36338 1 . ARG 55 55 36338 1 . LEU 56 56 36338 1 . GLU 57 57 36338 1 . LYS 58 58 36338 1 . ALA 59 59 36338 1 . ALA 60 60 36338 1 . ARG 61 61 36338 1 . ARG 62 62 36338 1 . PHE 63 63 36338 1 . ALA 64 64 36338 1 . GLU 65 65 36338 1 . THR 66 66 36338 1 . LEU 67 67 36338 1 . LEU 68 68 36338 1 . ARG 69 69 36338 1 . ALA 70 70 36338 1 . LEU 71 71 36338 1 . LYS 72 72 36338 1 . GLU 73 73 36338 1 . SER 74 74 36338 1 . GLY 75 75 36338 1 . ALA 76 76 36338 1 . SER 77 77 36338 1 . ALA 78 78 36338 1 . GLU 79 79 36338 1 . GLU 80 80 36338 1 . ILE 81 81 36338 1 . GLU 82 82 36338 1 . GLU 83 83 36338 1 . ALA 84 84 36338 1 . ILE 85 85 36338 1 . GLU 86 86 36338 1 . ARG 87 87 36338 1 . ILE 88 88 36338 1 . ARG 89 89 36338 1 . LYS 90 90 36338 1 . ALA 91 91 36338 1 . LEU 92 92 36338 1 . SER 93 93 36338 1 . LYS 94 94 36338 1 . ALA 95 95 36338 1 . PRO 96 96 36338 1 . SER 97 97 36338 1 . PRO 98 98 36338 1 . GLN 99 99 36338 1 . LEU 100 100 36338 1 . GLN 101 101 36338 1 . LYS 102 102 36338 1 . LEU 103 103 36338 1 . ALA 104 104 36338 1 . ASN 105 105 36338 1 . SER 106 106 36338 1 . PRO 107 107 36338 1 . GLN 108 108 36338 1 . TRP 109 109 36338 1 . GLN 110 110 36338 1 . THR 111 111 36338 1 . ALA 112 112 36338 1 . LEU 113 113 36338 1 . GLN 114 114 36338 1 . GLU 115 115 36338 1 . ALA 116 116 36338 1 . ILE 117 117 36338 1 . LYS 118 118 36338 1 . LYS 119 119 36338 1 . ALA 120 120 36338 1 . ARG 121 121 36338 1 . GLN 122 122 36338 1 . GLU 123 123 36338 1 . LYS 124 124 36338 1 . LYS 125 125 36338 1 . GLU 126 126 36338 1 . LYS 127 127 36338 1 . GLY 128 128 36338 1 . SER 129 129 36338 1 . LEU 130 130 36338 1 . GLU 131 131 36338 1 . HIS 132 132 36338 1 . HIS 133 133 36338 1 . HIS 134 134 36338 1 . HIS 135 135 36338 1 . HIS 136 136 36338 1 . HIS 137 137 36338 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 36338 _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 . . . . . . . . . . . . . 36338 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 36338 _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 . . . . . . . . . . 36338 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36338 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-100% 13C; U-100% 15N] foldK4, 1.06 mM potassium phosphate, 2.97 mM sodium phosphate, 155.2 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 foldK4 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.5 . . mM . . . . 36338 1 2 'potassium phosphate' 'natural abundance' . . . . . . 1.06 . . mM . . . . 36338 1 3 'sodium chloride' 'natural abundance' . . . . . salt 155.2 . . mM . . . . 36338 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 2.97 . . mM . . . . 36338 1 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36338 1 6 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36338 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36338 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.2 mM [U-100% 13C; U-100% 15N] foldK4, 1.06 mM potassium phosphate, 2.97 mM sodium phosphate, 155.2 mM sodium chloride, 10.0 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 foldK4 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.2 . . mM . . . . 36338 2 2 'Pf1 phage' 'natural abundance' . . . . . . 10.0 . . mg/mL . . . . 36338 2 3 'potassium phosphate' 'natural abundance' . . . . . . 1.06 . . mM . . . . 36338 2 4 'sodium chloride' 'natural abundance' . . . . . salt 155.2 . . mM . . . . 36338 2 5 'sodium phosphate' 'natural abundance' . . . . . buffer 2.97 . . mM . . . . 36338 2 6 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36338 2 7 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36338 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 36338 _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' 160 . mM 36338 1 pH 7.4 . pH 36338 1 pressure 1 . atm 36338 1 temperature 303 . K 36338 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36338 _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' . . 36338 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36338 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36338 _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' . . 36338 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36338 2 'structure calculation' . 36338 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36338 _Software.ID 3 _Software.Type . _Software.Name MAGRO _Software.Version 2.01.34 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 36338 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36338 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36338 _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' . . 36338 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36338 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36338 _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' . . 36338 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36338 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36338 _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' . . 36338 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36338 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 36338 _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' . . 36338 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 36338 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 36338 _Software.ID 8 _Software.Type . _Software.Name qMDD _Software.Version 2.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Orekhov, V. Jaravine, M. Mayzel, K. Kazimierczuk' . . 36338 8 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36338 8 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 36338 _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 36338 _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 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 36338 _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 900 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 36338 _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 . . . 36338 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 700 . . . 36338 1 3 NMR_spectrometer_3 Bruker 'AVANCE III' . 900 . . . 36338 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 36338 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36338 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36338 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36338 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36338 1 5 '3D HCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36338 1 6 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36338 1 7 '3D H(NCA)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36338 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36338 1 9 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36338 1 10 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36338 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36338 1 12 '3D HCCH-TOCSY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36338 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36338 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36338 1 15 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36338 1 16 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36338 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 36338 _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 . . . . . 36338 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36338 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36338 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 36338 _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 36338 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 36338 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 36338 1 4 '3D HNCO' 1 $sample_1 isotropic 36338 1 5 '3D HCACO' 1 $sample_1 isotropic 36338 1 6 '3D C(CO)NH' 1 $sample_1 isotropic 36338 1 7 '3D H(NCA)NH' 1 $sample_1 isotropic 36338 1 8 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36338 1 9 '3D HNCACB' 1 $sample_1 isotropic 36338 1 10 '3D H(CCO)NH' 1 $sample_1 isotropic 36338 1 11 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36338 1 12 '3D HCCH-TOCSY aliphatic' 1 $sample_1 isotropic 36338 1 13 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36338 1 14 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36338 1 15 '2D 1H-15N HSQC IPAP' 1 $sample_1 isotropic 36338 1 16 '2D 1H-15N HSQC IPAP' 2 $sample_2 anisotropic 36338 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 45.430 0.300 . 1 . . . . A 1 GLY CA . 36338 1 2 . 1 . 1 3 3 GLU CG C 13 36.351 0.300 . 1 . . . . A 3 GLU CG . 36338 1 3 . 1 . 1 7 7 LYS H H 1 8.012 0.030 . 1 . . . . A 7 LYS H . 36338 1 4 . 1 . 1 7 7 LYS HA H 1 3.998 0.030 . 1 . . . . A 7 LYS HA . 36338 1 5 . 1 . 1 7 7 LYS HB2 H 1 1.923 0.030 . 1 . . . . A 7 LYS HB2 . 36338 1 6 . 1 . 1 7 7 LYS HB3 H 1 1.923 0.030 . 1 . . . . A 7 LYS HB3 . 36338 1 7 . 1 . 1 7 7 LYS HG2 H 1 1.414 0.030 . 1 . . . . A 7 LYS HG2 . 36338 1 8 . 1 . 1 7 7 LYS HG3 H 1 1.414 0.030 . 1 . . . . A 7 LYS HG3 . 36338 1 9 . 1 . 1 7 7 LYS HD2 H 1 1.715 0.030 . 1 . . . . A 7 LYS HD2 . 36338 1 10 . 1 . 1 7 7 LYS HD3 H 1 1.715 0.030 . 1 . . . . A 7 LYS HD3 . 36338 1 11 . 1 . 1 7 7 LYS C C 13 178.879 0.300 . 1 . . . . A 7 LYS C . 36338 1 12 . 1 . 1 7 7 LYS CA C 13 59.947 0.300 . 1 . . . . A 7 LYS CA . 36338 1 13 . 1 . 1 7 7 LYS CB C 13 32.504 0.300 . 1 . . . . A 7 LYS CB . 36338 1 14 . 1 . 1 7 7 LYS CG C 13 25.108 0.300 . 1 . . . . A 7 LYS CG . 36338 1 15 . 1 . 1 7 7 LYS N N 15 117.799 0.300 . 1 . . . . A 7 LYS N . 36338 1 16 . 1 . 1 8 8 LEU H H 1 7.839 0.030 . 1 . . . . A 8 LEU H . 36338 1 17 . 1 . 1 8 8 LEU HA H 1 4.002 0.030 . 1 . . . . A 8 LEU HA . 36338 1 18 . 1 . 1 8 8 LEU HB2 H 1 1.199 0.030 . 2 . . . . A 8 LEU HB2 . 36338 1 19 . 1 . 1 8 8 LEU HB3 H 1 1.937 0.030 . 2 . . . . A 8 LEU HB3 . 36338 1 20 . 1 . 1 8 8 LEU HG H 1 0.739 0.030 . 1 . . . . A 8 LEU HG . 36338 1 21 . 1 . 1 8 8 LEU HD11 H 1 0.726 0.030 . 2 . . . . A 8 LEU HD11 . 36338 1 22 . 1 . 1 8 8 LEU HD12 H 1 0.726 0.030 . 2 . . . . A 8 LEU HD12 . 36338 1 23 . 1 . 1 8 8 LEU HD13 H 1 0.726 0.030 . 2 . . . . A 8 LEU HD13 . 36338 1 24 . 1 . 1 8 8 LEU HD21 H 1 0.750 0.030 . 2 . . . . A 8 LEU HD21 . 36338 1 25 . 1 . 1 8 8 LEU HD22 H 1 0.750 0.030 . 2 . . . . A 8 LEU HD22 . 36338 1 26 . 1 . 1 8 8 LEU HD23 H 1 0.750 0.030 . 2 . . . . A 8 LEU HD23 . 36338 1 27 . 1 . 1 8 8 LEU C C 13 178.928 0.300 . 1 . . . . A 8 LEU C . 36338 1 28 . 1 . 1 8 8 LEU CA C 13 57.813 0.300 . 1 . . . . A 8 LEU CA . 36338 1 29 . 1 . 1 8 8 LEU CB C 13 42.572 0.300 . 1 . . . . A 8 LEU CB . 36338 1 30 . 1 . 1 8 8 LEU CD1 C 13 23.601 0.300 . 2 . . . . A 8 LEU CD1 . 36338 1 31 . 1 . 1 8 8 LEU CD2 C 13 25.467 0.300 . 2 . . . . A 8 LEU CD2 . 36338 1 32 . 1 . 1 8 8 LEU N N 15 118.563 0.300 . 1 . . . . A 8 LEU N . 36338 1 33 . 1 . 1 9 9 LYS H H 1 8.435 0.030 . 1 . . . . A 9 LYS H . 36338 1 34 . 1 . 1 9 9 LYS HA H 1 3.795 0.030 . 1 . . . . A 9 LYS HA . 36338 1 35 . 1 . 1 9 9 LYS HB2 H 1 1.900 0.030 . 1 . . . . A 9 LYS HB2 . 36338 1 36 . 1 . 1 9 9 LYS HB3 H 1 1.900 0.030 . 1 . . . . A 9 LYS HB3 . 36338 1 37 . 1 . 1 9 9 LYS HD2 H 1 1.254 0.030 . 1 . . . . A 9 LYS HD2 . 36338 1 38 . 1 . 1 9 9 LYS HD3 H 1 1.254 0.030 . 1 . . . . A 9 LYS HD3 . 36338 1 39 . 1 . 1 9 9 LYS C C 13 178.739 0.300 . 1 . . . . A 9 LYS C . 36338 1 40 . 1 . 1 9 9 LYS CA C 13 60.353 0.300 . 1 . . . . A 9 LYS CA . 36338 1 41 . 1 . 1 9 9 LYS CB C 13 32.416 0.300 . 1 . . . . A 9 LYS CB . 36338 1 42 . 1 . 1 9 9 LYS N N 15 119.154 0.300 . 1 . . . . A 9 LYS N . 36338 1 43 . 1 . 1 10 10 ARG H H 1 7.924 0.030 . 1 . . . . A 10 ARG H . 36338 1 44 . 1 . 1 10 10 ARG HA H 1 4.113 0.030 . 1 . . . . A 10 ARG HA . 36338 1 45 . 1 . 1 10 10 ARG HB2 H 1 2.054 0.030 . 1 . . . . A 10 ARG HB2 . 36338 1 46 . 1 . 1 10 10 ARG HB3 H 1 2.054 0.030 . 1 . . . . A 10 ARG HB3 . 36338 1 47 . 1 . 1 10 10 ARG HG2 H 1 1.709 0.030 . 2 . . . . A 10 ARG HG2 . 36338 1 48 . 1 . 1 10 10 ARG HG3 H 1 1.834 0.030 . 2 . . . . A 10 ARG HG3 . 36338 1 49 . 1 . 1 10 10 ARG HD2 H 1 3.249 0.030 . 1 . . . . A 10 ARG HD2 . 36338 1 50 . 1 . 1 10 10 ARG HD3 H 1 3.249 0.030 . 1 . . . . A 10 ARG HD3 . 36338 1 51 . 1 . 1 10 10 ARG HE H 1 7.661 0.030 . 1 . . . . A 10 ARG HE . 36338 1 52 . 1 . 1 10 10 ARG C C 13 179.977 0.300 . 1 . . . . A 10 ARG C . 36338 1 53 . 1 . 1 10 10 ARG CA C 13 59.371 0.300 . 1 . . . . A 10 ARG CA . 36338 1 54 . 1 . 1 10 10 ARG CB C 13 30.123 0.300 . 1 . . . . A 10 ARG CB . 36338 1 55 . 1 . 1 10 10 ARG CG C 13 27.283 0.300 . 1 . . . . A 10 ARG CG . 36338 1 56 . 1 . 1 10 10 ARG CD C 13 43.426 0.300 . 1 . . . . A 10 ARG CD . 36338 1 57 . 1 . 1 10 10 ARG N N 15 119.068 0.300 . 1 . . . . A 10 ARG N . 36338 1 58 . 1 . 1 11 11 GLU H H 1 8.144 0.030 . 1 . . . . A 11 GLU H . 36338 1 59 . 1 . 1 11 11 GLU HB2 H 1 2.084 0.030 . 1 . . . . A 11 GLU HB2 . 36338 1 60 . 1 . 1 11 11 GLU HB3 H 1 2.084 0.030 . 1 . . . . A 11 GLU HB3 . 36338 1 61 . 1 . 1 11 11 GLU HG2 H 1 2.477 0.030 . 1 . . . . A 11 GLU HG2 . 36338 1 62 . 1 . 1 11 11 GLU HG3 H 1 2.477 0.030 . 1 . . . . A 11 GLU HG3 . 36338 1 63 . 1 . 1 11 11 GLU C C 13 180.113 0.300 . 1 . . . . A 11 GLU C . 36338 1 64 . 1 . 1 11 11 GLU CA C 13 58.983 0.300 . 1 . . . . A 11 GLU CA . 36338 1 65 . 1 . 1 11 11 GLU CB C 13 29.183 0.300 . 1 . . . . A 11 GLU CB . 36338 1 66 . 1 . 1 11 11 GLU N N 15 119.443 0.300 . 1 . . . . A 11 GLU N . 36338 1 67 . 1 . 1 12 12 ALA H H 1 8.922 0.030 . 1 . . . . A 12 ALA H . 36338 1 68 . 1 . 1 12 12 ALA HA H 1 3.888 0.030 . 1 . . . . A 12 ALA HA . 36338 1 69 . 1 . 1 12 12 ALA HB1 H 1 1.520 0.030 . 1 . . . . A 12 ALA HB1 . 36338 1 70 . 1 . 1 12 12 ALA HB2 H 1 1.520 0.030 . 1 . . . . A 12 ALA HB2 . 36338 1 71 . 1 . 1 12 12 ALA HB3 H 1 1.520 0.030 . 1 . . . . A 12 ALA HB3 . 36338 1 72 . 1 . 1 12 12 ALA C C 13 178.794 0.300 . 1 . . . . A 12 ALA C . 36338 1 73 . 1 . 1 12 12 ALA CA C 13 55.437 0.300 . 1 . . . . A 12 ALA CA . 36338 1 74 . 1 . 1 12 12 ALA CB C 13 18.560 0.300 . 1 . . . . A 12 ALA CB . 36338 1 75 . 1 . 1 12 12 ALA N N 15 123.635 0.300 . 1 . . . . A 12 ALA N . 36338 1 76 . 1 . 1 13 13 GLU H H 1 8.691 0.030 . 1 . . . . A 13 GLU H . 36338 1 77 . 1 . 1 13 13 GLU HA H 1 3.764 0.030 . 1 . . . . A 13 GLU HA . 36338 1 78 . 1 . 1 13 13 GLU HB2 H 1 2.095 0.030 . 1 . . . . A 13 GLU HB2 . 36338 1 79 . 1 . 1 13 13 GLU HB3 H 1 2.095 0.030 . 1 . . . . A 13 GLU HB3 . 36338 1 80 . 1 . 1 13 13 GLU HG2 H 1 2.091 0.030 . 1 . . . . A 13 GLU HG2 . 36338 1 81 . 1 . 1 13 13 GLU HG3 H 1 2.091 0.030 . 1 . . . . A 13 GLU HG3 . 36338 1 82 . 1 . 1 13 13 GLU C C 13 178.828 0.300 . 1 . . . . A 13 GLU C . 36338 1 83 . 1 . 1 13 13 GLU CA C 13 60.518 0.300 . 1 . . . . A 13 GLU CA . 36338 1 84 . 1 . 1 13 13 GLU CB C 13 29.648 0.300 . 1 . . . . A 13 GLU CB . 36338 1 85 . 1 . 1 13 13 GLU CG C 13 37.090 0.300 . 1 . . . . A 13 GLU CG . 36338 1 86 . 1 . 1 13 13 GLU N N 15 119.223 0.300 . 1 . . . . A 13 GLU N . 36338 1 87 . 1 . 1 14 14 ARG H H 1 7.652 0.030 . 1 . . . . A 14 ARG H . 36338 1 88 . 1 . 1 14 14 ARG HA H 1 4.105 0.030 . 1 . . . . A 14 ARG HA . 36338 1 89 . 1 . 1 14 14 ARG HB2 H 1 1.971 0.030 . 1 . . . . A 14 ARG HB2 . 36338 1 90 . 1 . 1 14 14 ARG HB3 H 1 1.971 0.030 . 1 . . . . A 14 ARG HB3 . 36338 1 91 . 1 . 1 14 14 ARG HG2 H 1 1.687 0.030 . 1 . . . . A 14 ARG HG2 . 36338 1 92 . 1 . 1 14 14 ARG HG3 H 1 1.687 0.030 . 1 . . . . A 14 ARG HG3 . 36338 1 93 . 1 . 1 14 14 ARG HD2 H 1 3.248 0.030 . 1 . . . . A 14 ARG HD2 . 36338 1 94 . 1 . 1 14 14 ARG HD3 H 1 3.248 0.030 . 1 . . . . A 14 ARG HD3 . 36338 1 95 . 1 . 1 14 14 ARG C C 13 178.971 0.300 . 1 . . . . A 14 ARG C . 36338 1 96 . 1 . 1 14 14 ARG CA C 13 59.364 0.300 . 1 . . . . A 14 ARG CA . 36338 1 97 . 1 . 1 14 14 ARG CB C 13 29.863 0.300 . 1 . . . . A 14 ARG CB . 36338 1 98 . 1 . 1 14 14 ARG CG C 13 26.972 0.300 . 1 . . . . A 14 ARG CG . 36338 1 99 . 1 . 1 14 14 ARG CD C 13 43.406 0.300 . 1 . . . . A 14 ARG CD . 36338 1 100 . 1 . 1 14 14 ARG N N 15 119.042 0.300 . 1 . . . . A 14 ARG N . 36338 1 101 . 1 . 1 15 15 ALA H H 1 7.769 0.030 . 1 . . . . A 15 ALA H . 36338 1 102 . 1 . 1 15 15 ALA HA H 1 4.260 0.030 . 1 . . . . A 15 ALA HA . 36338 1 103 . 1 . 1 15 15 ALA HB1 H 1 1.337 0.030 . 1 . . . . A 15 ALA HB1 . 36338 1 104 . 1 . 1 15 15 ALA HB2 H 1 1.337 0.030 . 1 . . . . A 15 ALA HB2 . 36338 1 105 . 1 . 1 15 15 ALA HB3 H 1 1.337 0.030 . 1 . . . . A 15 ALA HB3 . 36338 1 106 . 1 . 1 15 15 ALA C C 13 179.521 0.300 . 1 . . . . A 15 ALA C . 36338 1 107 . 1 . 1 15 15 ALA CA C 13 54.952 0.300 . 1 . . . . A 15 ALA CA . 36338 1 108 . 1 . 1 15 15 ALA CB C 13 17.807 0.300 . 1 . . . . A 15 ALA CB . 36338 1 109 . 1 . 1 15 15 ALA N N 15 121.910 0.300 . 1 . . . . A 15 ALA N . 36338 1 110 . 1 . 1 16 16 LEU H H 1 8.646 0.030 . 1 . . . . A 16 LEU H . 36338 1 111 . 1 . 1 16 16 LEU HA H 1 3.923 0.030 . 1 . . . . A 16 LEU HA . 36338 1 112 . 1 . 1 16 16 LEU HB2 H 1 1.313 0.030 . 2 . . . . A 16 LEU HB2 . 36338 1 113 . 1 . 1 16 16 LEU HB3 H 1 2.078 0.030 . 2 . . . . A 16 LEU HB3 . 36338 1 114 . 1 . 1 16 16 LEU HG H 1 1.613 0.030 . 1 . . . . A 16 LEU HG . 36338 1 115 . 1 . 1 16 16 LEU HD11 H 1 1.001 0.030 . 2 . . . . A 16 LEU HD11 . 36338 1 116 . 1 . 1 16 16 LEU HD12 H 1 1.001 0.030 . 2 . . . . A 16 LEU HD12 . 36338 1 117 . 1 . 1 16 16 LEU HD13 H 1 1.001 0.030 . 2 . . . . A 16 LEU HD13 . 36338 1 118 . 1 . 1 16 16 LEU HD21 H 1 1.032 0.030 . 2 . . . . A 16 LEU HD21 . 36338 1 119 . 1 . 1 16 16 LEU HD22 H 1 1.032 0.030 . 2 . . . . A 16 LEU HD22 . 36338 1 120 . 1 . 1 16 16 LEU HD23 H 1 1.032 0.030 . 2 . . . . A 16 LEU HD23 . 36338 1 121 . 1 . 1 16 16 LEU C C 13 178.494 0.300 . 1 . . . . A 16 LEU C . 36338 1 122 . 1 . 1 16 16 LEU CA C 13 58.017 0.300 . 1 . . . . A 16 LEU CA . 36338 1 123 . 1 . 1 16 16 LEU CB C 13 42.632 0.300 . 1 . . . . A 16 LEU CB . 36338 1 124 . 1 . 1 16 16 LEU CG C 13 27.399 0.300 . 1 . . . . A 16 LEU CG . 36338 1 125 . 1 . 1 16 16 LEU CD1 C 13 27.548 0.300 . 2 . . . . A 16 LEU CD1 . 36338 1 126 . 1 . 1 16 16 LEU CD2 C 13 23.852 0.300 . 2 . . . . A 16 LEU CD2 . 36338 1 127 . 1 . 1 16 16 LEU N N 15 116.835 0.300 . 1 . . . . A 16 LEU N . 36338 1 128 . 1 . 1 17 17 SER H H 1 8.420 0.030 . 1 . . . . A 17 SER H . 36338 1 129 . 1 . 1 17 17 SER HA H 1 4.044 0.030 . 1 . . . . A 17 SER HA . 36338 1 130 . 1 . 1 17 17 SER HB2 H 1 3.946 0.030 . 2 . . . . A 17 SER HB2 . 36338 1 131 . 1 . 1 17 17 SER HB3 H 1 4.014 0.030 . 2 . . . . A 17 SER HB3 . 36338 1 132 . 1 . 1 17 17 SER C C 13 176.480 0.300 . 1 . . . . A 17 SER C . 36338 1 133 . 1 . 1 17 17 SER CA C 13 62.005 0.300 . 1 . . . . A 17 SER CA . 36338 1 134 . 1 . 1 17 17 SER CB C 13 62.785 0.300 . 1 . . . . A 17 SER CB . 36338 1 135 . 1 . 1 17 17 SER N N 15 115.060 0.300 . 1 . . . . A 17 SER N . 36338 1 136 . 1 . 1 18 18 GLU H H 1 7.589 0.030 . 1 . . . . A 18 GLU H . 36338 1 137 . 1 . 1 18 18 GLU HA H 1 4.133 0.030 . 1 . . . . A 18 GLU HA . 36338 1 138 . 1 . 1 18 18 GLU HB2 H 1 2.185 0.030 . 1 . . . . A 18 GLU HB2 . 36338 1 139 . 1 . 1 18 18 GLU HB3 H 1 2.185 0.030 . 1 . . . . A 18 GLU HB3 . 36338 1 140 . 1 . 1 18 18 GLU HG2 H 1 2.181 0.030 . 2 . . . . A 18 GLU HG2 . 36338 1 141 . 1 . 1 18 18 GLU HG3 H 1 2.399 0.030 . 2 . . . . A 18 GLU HG3 . 36338 1 142 . 1 . 1 18 18 GLU C C 13 179.511 0.300 . 1 . . . . A 18 GLU C . 36338 1 143 . 1 . 1 18 18 GLU CA C 13 59.305 0.300 . 1 . . . . A 18 GLU CA . 36338 1 144 . 1 . 1 18 18 GLU CB C 13 29.486 0.300 . 1 . . . . A 18 GLU CB . 36338 1 145 . 1 . 1 18 18 GLU CG C 13 36.261 0.300 . 1 . . . . A 18 GLU CG . 36338 1 146 . 1 . 1 18 18 GLU N N 15 119.591 0.300 . 1 . . . . A 18 GLU N . 36338 1 147 . 1 . 1 19 19 ALA H H 1 8.168 0.030 . 1 . . . . A 19 ALA H . 36338 1 148 . 1 . 1 19 19 ALA HA H 1 4.254 0.030 . 1 . . . . A 19 ALA HA . 36338 1 149 . 1 . 1 19 19 ALA HB1 H 1 1.457 0.030 . 1 . . . . A 19 ALA HB1 . 36338 1 150 . 1 . 1 19 19 ALA HB2 H 1 1.457 0.030 . 1 . . . . A 19 ALA HB2 . 36338 1 151 . 1 . 1 19 19 ALA HB3 H 1 1.457 0.030 . 1 . . . . A 19 ALA HB3 . 36338 1 152 . 1 . 1 19 19 ALA C C 13 179.232 0.300 . 1 . . . . A 19 ALA C . 36338 1 153 . 1 . 1 19 19 ALA CA C 13 54.916 0.300 . 1 . . . . A 19 ALA CA . 36338 1 154 . 1 . 1 19 19 ALA CB C 13 20.132 0.300 . 1 . . . . A 19 ALA CB . 36338 1 155 . 1 . 1 19 19 ALA N N 15 119.935 0.300 . 1 . . . . A 19 ALA N . 36338 1 156 . 1 . 1 20 20 LEU H H 1 8.536 0.030 . 1 . . . . A 20 LEU H . 36338 1 157 . 1 . 1 20 20 LEU HA H 1 4.934 0.030 . 1 . . . . A 20 LEU HA . 36338 1 158 . 1 . 1 20 20 LEU HB2 H 1 1.795 0.030 . 2 . . . . A 20 LEU HB2 . 36338 1 159 . 1 . 1 20 20 LEU HB3 H 1 1.909 0.030 . 2 . . . . A 20 LEU HB3 . 36338 1 160 . 1 . 1 20 20 LEU HD11 H 1 0.728 0.030 . 2 . . . . A 20 LEU HD11 . 36338 1 161 . 1 . 1 20 20 LEU HD12 H 1 0.728 0.030 . 2 . . . . A 20 LEU HD12 . 36338 1 162 . 1 . 1 20 20 LEU HD13 H 1 0.728 0.030 . 2 . . . . A 20 LEU HD13 . 36338 1 163 . 1 . 1 20 20 LEU HD21 H 1 0.783 0.030 . 2 . . . . A 20 LEU HD21 . 36338 1 164 . 1 . 1 20 20 LEU HD22 H 1 0.783 0.030 . 2 . . . . A 20 LEU HD22 . 36338 1 165 . 1 . 1 20 20 LEU HD23 H 1 0.783 0.030 . 2 . . . . A 20 LEU HD23 . 36338 1 166 . 1 . 1 20 20 LEU C C 13 177.686 0.300 . 1 . . . . A 20 LEU C . 36338 1 167 . 1 . 1 20 20 LEU CA C 13 53.630 0.300 . 1 . . . . A 20 LEU CA . 36338 1 168 . 1 . 1 20 20 LEU CB C 13 41.322 0.300 . 1 . . . . A 20 LEU CB . 36338 1 169 . 1 . 1 20 20 LEU CD1 C 13 25.833 0.300 . 2 . . . . A 20 LEU CD1 . 36338 1 170 . 1 . 1 20 20 LEU CD2 C 13 22.590 0.300 . 2 . . . . A 20 LEU CD2 . 36338 1 171 . 1 . 1 20 20 LEU N N 15 113.526 0.300 . 1 . . . . A 20 LEU N . 36338 1 172 . 1 . 1 21 21 SER H H 1 7.361 0.030 . 1 . . . . A 21 SER H . 36338 1 173 . 1 . 1 21 21 SER HA H 1 4.357 0.030 . 1 . . . . A 21 SER HA . 36338 1 174 . 1 . 1 21 21 SER HB2 H 1 4.119 0.030 . 2 . . . . A 21 SER HB2 . 36338 1 175 . 1 . 1 21 21 SER HB3 H 1 4.180 0.030 . 2 . . . . A 21 SER HB3 . 36338 1 176 . 1 . 1 21 21 SER C C 13 177.697 0.300 . 1 . . . . A 21 SER C . 36338 1 177 . 1 . 1 21 21 SER CA C 13 62.201 0.300 . 1 . . . . A 21 SER CA . 36338 1 178 . 1 . 1 21 21 SER CB C 13 63.178 0.300 . 1 . . . . A 21 SER CB . 36338 1 179 . 1 . 1 21 21 SER N N 15 117.343 0.300 . 1 . . . . A 21 SER N . 36338 1 180 . 1 . 1 22 22 GLU HA H 1 4.103 0.030 . 1 . . . . A 22 GLU HA . 36338 1 181 . 1 . 1 22 22 GLU HB2 H 1 1.771 0.030 . 1 . . . . A 22 GLU HB2 . 36338 1 182 . 1 . 1 22 22 GLU HB3 H 1 1.771 0.030 . 1 . . . . A 22 GLU HB3 . 36338 1 183 . 1 . 1 22 22 GLU HG2 H 1 2.167 0.030 . 1 . . . . A 22 GLU HG2 . 36338 1 184 . 1 . 1 22 22 GLU HG3 H 1 2.167 0.030 . 1 . . . . A 22 GLU HG3 . 36338 1 185 . 1 . 1 22 22 GLU C C 13 178.809 0.300 . 1 . . . . A 22 GLU C . 36338 1 186 . 1 . 1 22 22 GLU CA C 13 59.244 0.300 . 1 . . . . A 22 GLU CA . 36338 1 187 . 1 . 1 22 22 GLU CB C 13 29.015 0.300 . 1 . . . . A 22 GLU CB . 36338 1 188 . 1 . 1 22 22 GLU CG C 13 36.173 0.300 . 1 . . . . A 22 GLU CG . 36338 1 189 . 1 . 1 23 23 PHE H H 1 7.462 0.030 . 1 . . . . A 23 PHE H . 36338 1 190 . 1 . 1 23 23 PHE HA H 1 4.248 0.030 . 1 . . . . A 23 PHE HA . 36338 1 191 . 1 . 1 23 23 PHE HB2 H 1 2.906 0.030 . 2 . . . . A 23 PHE HB2 . 36338 1 192 . 1 . 1 23 23 PHE HB3 H 1 3.150 0.030 . 2 . . . . A 23 PHE HB3 . 36338 1 193 . 1 . 1 23 23 PHE HD1 H 1 7.133 0.030 . 1 . . . . A 23 PHE HD1 . 36338 1 194 . 1 . 1 23 23 PHE HD2 H 1 7.133 0.030 . 1 . . . . A 23 PHE HD2 . 36338 1 195 . 1 . 1 23 23 PHE HE1 H 1 7.134 0.030 . 1 . . . . A 23 PHE HE1 . 36338 1 196 . 1 . 1 23 23 PHE HE2 H 1 7.134 0.030 . 1 . . . . A 23 PHE HE2 . 36338 1 197 . 1 . 1 23 23 PHE HZ H 1 7.237 0.030 . 1 . . . . A 23 PHE HZ . 36338 1 198 . 1 . 1 23 23 PHE C C 13 178.557 0.300 . 1 . . . . A 23 PHE C . 36338 1 199 . 1 . 1 23 23 PHE CA C 13 60.472 0.300 . 1 . . . . A 23 PHE CA . 36338 1 200 . 1 . 1 23 23 PHE CB C 13 38.793 0.300 . 1 . . . . A 23 PHE CB . 36338 1 201 . 1 . 1 23 23 PHE CD1 C 13 130.910 0.300 . 1 . . . . A 23 PHE CD1 . 36338 1 202 . 1 . 1 23 23 PHE CD2 C 13 130.910 0.300 . 1 . . . . A 23 PHE CD2 . 36338 1 203 . 1 . 1 23 23 PHE CE1 C 13 130.915 0.300 . 1 . . . . A 23 PHE CE1 . 36338 1 204 . 1 . 1 23 23 PHE CE2 C 13 130.915 0.300 . 1 . . . . A 23 PHE CE2 . 36338 1 205 . 1 . 1 23 23 PHE CZ C 13 130.306 0.300 . 1 . . . . A 23 PHE CZ . 36338 1 206 . 1 . 1 23 23 PHE N N 15 116.385 0.300 . 1 . . . . A 23 PHE N . 36338 1 207 . 1 . 1 24 24 GLU H H 1 8.418 0.030 . 1 . . . . A 24 GLU H . 36338 1 208 . 1 . 1 24 24 GLU HA H 1 4.356 0.030 . 1 . . . . A 24 GLU HA . 36338 1 209 . 1 . 1 24 24 GLU HB2 H 1 1.905 0.030 . 2 . . . . A 24 GLU HB2 . 36338 1 210 . 1 . 1 24 24 GLU HB3 H 1 2.266 0.030 . 2 . . . . A 24 GLU HB3 . 36338 1 211 . 1 . 1 24 24 GLU HG2 H 1 2.118 0.030 . 1 . . . . A 24 GLU HG2 . 36338 1 212 . 1 . 1 24 24 GLU HG3 H 1 2.118 0.030 . 1 . . . . A 24 GLU HG3 . 36338 1 213 . 1 . 1 24 24 GLU C C 13 180.360 0.300 . 1 . . . . A 24 GLU C . 36338 1 214 . 1 . 1 24 24 GLU CA C 13 59.756 0.300 . 1 . . . . A 24 GLU CA . 36338 1 215 . 1 . 1 24 24 GLU CB C 13 29.865 0.300 . 1 . . . . A 24 GLU CB . 36338 1 216 . 1 . 1 24 24 GLU CG C 13 36.295 0.300 . 1 . . . . A 24 GLU CG . 36338 1 217 . 1 . 1 24 24 GLU N N 15 122.579 0.300 . 1 . . . . A 24 GLU N . 36338 1 218 . 1 . 1 25 25 LYS H H 1 8.466 0.030 . 1 . . . . A 25 LYS H . 36338 1 219 . 1 . 1 25 25 LYS HA H 1 4.100 0.030 . 1 . . . . A 25 LYS HA . 36338 1 220 . 1 . 1 25 25 LYS HB2 H 1 1.939 0.030 . 1 . . . . A 25 LYS HB2 . 36338 1 221 . 1 . 1 25 25 LYS HB3 H 1 1.939 0.030 . 1 . . . . A 25 LYS HB3 . 36338 1 222 . 1 . 1 25 25 LYS C C 13 178.430 0.300 . 1 . . . . A 25 LYS C . 36338 1 223 . 1 . 1 25 25 LYS CA C 13 59.305 0.300 . 1 . . . . A 25 LYS CA . 36338 1 224 . 1 . 1 25 25 LYS CB C 13 32.377 0.300 . 1 . . . . A 25 LYS CB . 36338 1 225 . 1 . 1 25 25 LYS CE C 13 43.658 0.300 . 1 . . . . A 25 LYS CE . 36338 1 226 . 1 . 1 25 25 LYS N N 15 120.978 0.300 . 1 . . . . A 25 LYS N . 36338 1 227 . 1 . 1 26 26 GLN H H 1 7.468 0.030 . 1 . . . . A 26 GLN H . 36338 1 228 . 1 . 1 26 26 GLN HA H 1 4.399 0.030 . 1 . . . . A 26 GLN HA . 36338 1 229 . 1 . 1 26 26 GLN HB2 H 1 1.955 0.030 . 2 . . . . A 26 GLN HB2 . 36338 1 230 . 1 . 1 26 26 GLN HB3 H 1 2.418 0.030 . 2 . . . . A 26 GLN HB3 . 36338 1 231 . 1 . 1 26 26 GLN HG2 H 1 2.627 0.030 . 1 . . . . A 26 GLN HG2 . 36338 1 232 . 1 . 1 26 26 GLN HG3 H 1 2.627 0.030 . 1 . . . . A 26 GLN HG3 . 36338 1 233 . 1 . 1 26 26 GLN HE21 H 1 6.778 0.030 . 2 . . . . A 26 GLN HE21 . 36338 1 234 . 1 . 1 26 26 GLN HE22 H 1 7.362 0.030 . 2 . . . . A 26 GLN HE22 . 36338 1 235 . 1 . 1 26 26 GLN C C 13 176.354 0.300 . 1 . . . . A 26 GLN C . 36338 1 236 . 1 . 1 26 26 GLN CA C 13 55.871 0.300 . 1 . . . . A 26 GLN CA . 36338 1 237 . 1 . 1 26 26 GLN CB C 13 29.945 0.300 . 1 . . . . A 26 GLN CB . 36338 1 238 . 1 . 1 26 26 GLN CG C 13 34.153 0.300 . 1 . . . . A 26 GLN CG . 36338 1 239 . 1 . 1 26 26 GLN N N 15 114.049 0.300 . 1 . . . . A 26 GLN N . 36338 1 240 . 1 . 1 26 26 GLN NE2 N 15 110.988 0.300 . 1 . . . . A 26 GLN NE2 . 36338 1 241 . 1 . 1 27 27 GLY H H 1 7.975 0.030 . 1 . . . . A 27 GLY H . 36338 1 242 . 1 . 1 27 27 GLY HA2 H 1 3.990 0.030 . 2 . . . . A 27 GLY HA2 . 36338 1 243 . 1 . 1 27 27 GLY HA3 H 1 4.124 0.030 . 2 . . . . A 27 GLY HA3 . 36338 1 244 . 1 . 1 27 27 GLY C C 13 174.780 0.300 . 1 . . . . A 27 GLY C . 36338 1 245 . 1 . 1 27 27 GLY CA C 13 45.818 0.300 . 1 . . . . A 27 GLY CA . 36338 1 246 . 1 . 1 27 27 GLY N N 15 107.944 0.300 . 1 . . . . A 27 GLY N . 36338 1 247 . 1 . 1 28 28 LYS H H 1 8.189 0.030 . 1 . . . . A 28 LYS H . 36338 1 248 . 1 . 1 28 28 LYS HA H 1 4.284 0.030 . 1 . . . . A 28 LYS HA . 36338 1 249 . 1 . 1 28 28 LYS HB2 H 1 1.791 0.030 . 1 . . . . A 28 LYS HB2 . 36338 1 250 . 1 . 1 28 28 LYS HB3 H 1 1.791 0.030 . 1 . . . . A 28 LYS HB3 . 36338 1 251 . 1 . 1 28 28 LYS HG2 H 1 1.464 0.030 . 1 . . . . A 28 LYS HG2 . 36338 1 252 . 1 . 1 28 28 LYS HG3 H 1 1.464 0.030 . 1 . . . . A 28 LYS HG3 . 36338 1 253 . 1 . 1 28 28 LYS HD2 H 1 2.041 0.030 . 1 . . . . A 28 LYS HD2 . 36338 1 254 . 1 . 1 28 28 LYS HD3 H 1 2.041 0.030 . 1 . . . . A 28 LYS HD3 . 36338 1 255 . 1 . 1 28 28 LYS HE2 H 1 3.155 0.030 . 1 . . . . A 28 LYS HE2 . 36338 1 256 . 1 . 1 28 28 LYS HE3 H 1 3.155 0.030 . 1 . . . . A 28 LYS HE3 . 36338 1 257 . 1 . 1 28 28 LYS C C 13 175.490 0.300 . 1 . . . . A 28 LYS C . 36338 1 258 . 1 . 1 28 28 LYS CA C 13 56.904 0.300 . 1 . . . . A 28 LYS CA . 36338 1 259 . 1 . 1 28 28 LYS CB C 13 34.304 0.300 . 1 . . . . A 28 LYS CB . 36338 1 260 . 1 . 1 28 28 LYS CG C 13 26.209 0.300 . 1 . . . . A 28 LYS CG . 36338 1 261 . 1 . 1 28 28 LYS CD C 13 29.514 0.300 . 1 . . . . A 28 LYS CD . 36338 1 262 . 1 . 1 28 28 LYS N N 15 117.068 0.300 . 1 . . . . A 28 LYS N . 36338 1 263 . 1 . 1 29 29 ILE H H 1 7.111 0.030 . 1 . . . . A 29 ILE H . 36338 1 264 . 1 . 1 29 29 ILE HA H 1 4.504 0.030 . 1 . . . . A 29 ILE HA . 36338 1 265 . 1 . 1 29 29 ILE HB H 1 1.531 0.030 . 1 . . . . A 29 ILE HB . 36338 1 266 . 1 . 1 29 29 ILE HG12 H 1 1.111 0.030 . 2 . . . . A 29 ILE HG12 . 36338 1 267 . 1 . 1 29 29 ILE HG13 H 1 1.473 0.030 . 2 . . . . A 29 ILE HG13 . 36338 1 268 . 1 . 1 29 29 ILE HG21 H 1 0.733 0.030 . 1 . . . . A 29 ILE HG21 . 36338 1 269 . 1 . 1 29 29 ILE HG22 H 1 0.733 0.030 . 1 . . . . A 29 ILE HG22 . 36338 1 270 . 1 . 1 29 29 ILE HG23 H 1 0.733 0.030 . 1 . . . . A 29 ILE HG23 . 36338 1 271 . 1 . 1 29 29 ILE HD11 H 1 0.629 0.030 . 1 . . . . A 29 ILE HD11 . 36338 1 272 . 1 . 1 29 29 ILE HD12 H 1 0.629 0.030 . 1 . . . . A 29 ILE HD12 . 36338 1 273 . 1 . 1 29 29 ILE HD13 H 1 0.629 0.030 . 1 . . . . A 29 ILE HD13 . 36338 1 274 . 1 . 1 29 29 ILE C C 13 174.470 0.300 . 1 . . . . A 29 ILE C . 36338 1 275 . 1 . 1 29 29 ILE CA C 13 59.113 0.300 . 1 . . . . A 29 ILE CA . 36338 1 276 . 1 . 1 29 29 ILE CB C 13 40.450 0.300 . 1 . . . . A 29 ILE CB . 36338 1 277 . 1 . 1 29 29 ILE CG1 C 13 27.903 0.300 . 1 . . . . A 29 ILE CG1 . 36338 1 278 . 1 . 1 29 29 ILE CG2 C 13 16.393 0.300 . 1 . . . . A 29 ILE CG2 . 36338 1 279 . 1 . 1 29 29 ILE CD1 C 13 13.208 0.300 . 1 . . . . A 29 ILE CD1 . 36338 1 280 . 1 . 1 29 29 ILE N N 15 115.196 0.300 . 1 . . . . A 29 ILE N . 36338 1 281 . 1 . 1 30 30 THR H H 1 8.320 0.030 . 1 . . . . A 30 THR H . 36338 1 282 . 1 . 1 30 30 THR HA H 1 4.758 0.030 . 1 . . . . A 30 THR HA . 36338 1 283 . 1 . 1 30 30 THR HB H 1 4.787 0.030 . 1 . . . . A 30 THR HB . 36338 1 284 . 1 . 1 30 30 THR HG21 H 1 1.323 0.030 . 1 . . . . A 30 THR HG21 . 36338 1 285 . 1 . 1 30 30 THR HG22 H 1 1.323 0.030 . 1 . . . . A 30 THR HG22 . 36338 1 286 . 1 . 1 30 30 THR HG23 H 1 1.323 0.030 . 1 . . . . A 30 THR HG23 . 36338 1 287 . 1 . 1 30 30 THR C C 13 173.714 0.300 . 1 . . . . A 30 THR C . 36338 1 288 . 1 . 1 30 30 THR CA C 13 59.674 0.300 . 1 . . . . A 30 THR CA . 36338 1 289 . 1 . 1 30 30 THR CB C 13 69.365 0.300 . 1 . . . . A 30 THR CB . 36338 1 290 . 1 . 1 30 30 THR CG2 C 13 21.931 0.300 . 1 . . . . A 30 THR CG2 . 36338 1 291 . 1 . 1 30 30 THR N N 15 117.020 0.300 . 1 . . . . A 30 THR N . 36338 1 292 . 1 . 1 31 31 PRO HA H 1 4.237 0.030 . 1 . . . . A 31 PRO HA . 36338 1 293 . 1 . 1 31 31 PRO HB2 H 1 2.438 0.030 . 1 . . . . A 31 PRO HB2 . 36338 1 294 . 1 . 1 31 31 PRO HB3 H 1 2.438 0.030 . 1 . . . . A 31 PRO HB3 . 36338 1 295 . 1 . 1 31 31 PRO HG2 H 1 1.930 0.030 . 1 . . . . A 31 PRO HG2 . 36338 1 296 . 1 . 1 31 31 PRO HG3 H 1 1.930 0.030 . 1 . . . . A 31 PRO HG3 . 36338 1 297 . 1 . 1 31 31 PRO HD2 H 1 3.960 0.030 . 1 . . . . A 31 PRO HD2 . 36338 1 298 . 1 . 1 31 31 PRO HD3 H 1 3.960 0.030 . 1 . . . . A 31 PRO HD3 . 36338 1 299 . 1 . 1 31 31 PRO C C 13 179.167 0.300 . 1 . . . . A 31 PRO C . 36338 1 300 . 1 . 1 31 31 PRO CA C 13 65.534 0.300 . 1 . . . . A 31 PRO CA . 36338 1 301 . 1 . 1 31 31 PRO CB C 13 31.926 0.300 . 1 . . . . A 31 PRO CB . 36338 1 302 . 1 . 1 31 31 PRO CG C 13 27.872 0.300 . 1 . . . . A 31 PRO CG . 36338 1 303 . 1 . 1 31 31 PRO CD C 13 50.956 0.300 . 1 . . . . A 31 PRO CD . 36338 1 304 . 1 . 1 32 32 GLU H H 1 8.473 0.030 . 1 . . . . A 32 GLU H . 36338 1 305 . 1 . 1 32 32 GLU HA H 1 3.945 0.030 . 1 . . . . A 32 GLU HA . 36338 1 306 . 1 . 1 32 32 GLU HB2 H 1 2.345 0.030 . 1 . . . . A 32 GLU HB2 . 36338 1 307 . 1 . 1 32 32 GLU HB3 H 1 2.345 0.030 . 1 . . . . A 32 GLU HB3 . 36338 1 308 . 1 . 1 32 32 GLU C C 13 179.206 0.300 . 1 . . . . A 32 GLU C . 36338 1 309 . 1 . 1 32 32 GLU CA C 13 60.347 0.300 . 1 . . . . A 32 GLU CA . 36338 1 310 . 1 . 1 32 32 GLU CB C 13 28.744 0.300 . 1 . . . . A 32 GLU CB . 36338 1 311 . 1 . 1 32 32 GLU N N 15 116.783 0.300 . 1 . . . . A 32 GLU N . 36338 1 312 . 1 . 1 33 33 THR H H 1 7.833 0.030 . 1 . . . . A 33 THR H . 36338 1 313 . 1 . 1 33 33 THR HA H 1 3.833 0.030 . 1 . . . . A 33 THR HA . 36338 1 314 . 1 . 1 33 33 THR HB H 1 4.228 0.030 . 1 . . . . A 33 THR HB . 36338 1 315 . 1 . 1 33 33 THR HG21 H 1 1.005 0.030 . 1 . . . . A 33 THR HG21 . 36338 1 316 . 1 . 1 33 33 THR HG22 H 1 1.005 0.030 . 1 . . . . A 33 THR HG22 . 36338 1 317 . 1 . 1 33 33 THR HG23 H 1 1.005 0.030 . 1 . . . . A 33 THR HG23 . 36338 1 318 . 1 . 1 33 33 THR C C 13 175.933 0.300 . 1 . . . . A 33 THR C . 36338 1 319 . 1 . 1 33 33 THR CA C 13 66.719 0.300 . 1 . . . . A 33 THR CA . 36338 1 320 . 1 . 1 33 33 THR CB C 13 67.782 0.300 . 1 . . . . A 33 THR CB . 36338 1 321 . 1 . 1 33 33 THR CG2 C 13 22.138 0.300 . 1 . . . . A 33 THR CG2 . 36338 1 322 . 1 . 1 33 33 THR N N 15 119.131 0.300 . 1 . . . . A 33 THR N . 36338 1 323 . 1 . 1 34 34 LEU H H 1 8.009 0.030 . 1 . . . . A 34 LEU H . 36338 1 324 . 1 . 1 34 34 LEU HA H 1 3.805 0.030 . 1 . . . . A 34 LEU HA . 36338 1 325 . 1 . 1 34 34 LEU HB2 H 1 1.578 0.030 . 2 . . . . A 34 LEU HB2 . 36338 1 326 . 1 . 1 34 34 LEU HB3 H 1 1.893 0.030 . 2 . . . . A 34 LEU HB3 . 36338 1 327 . 1 . 1 34 34 LEU HG H 1 1.599 0.030 . 1 . . . . A 34 LEU HG . 36338 1 328 . 1 . 1 34 34 LEU HD11 H 1 0.785 0.030 . 2 . . . . A 34 LEU HD11 . 36338 1 329 . 1 . 1 34 34 LEU HD12 H 1 0.785 0.030 . 2 . . . . A 34 LEU HD12 . 36338 1 330 . 1 . 1 34 34 LEU HD13 H 1 0.785 0.030 . 2 . . . . A 34 LEU HD13 . 36338 1 331 . 1 . 1 34 34 LEU HD21 H 1 0.793 0.030 . 2 . . . . A 34 LEU HD21 . 36338 1 332 . 1 . 1 34 34 LEU HD22 H 1 0.793 0.030 . 2 . . . . A 34 LEU HD22 . 36338 1 333 . 1 . 1 34 34 LEU HD23 H 1 0.793 0.030 . 2 . . . . A 34 LEU HD23 . 36338 1 334 . 1 . 1 34 34 LEU C C 13 178.676 0.300 . 1 . . . . A 34 LEU C . 36338 1 335 . 1 . 1 34 34 LEU CA C 13 59.437 0.300 . 1 . . . . A 34 LEU CA . 36338 1 336 . 1 . 1 34 34 LEU CB C 13 41.476 0.300 . 1 . . . . A 34 LEU CB . 36338 1 337 . 1 . 1 34 34 LEU CG C 13 27.697 0.300 . 1 . . . . A 34 LEU CG . 36338 1 338 . 1 . 1 34 34 LEU CD1 C 13 24.597 0.300 . 2 . . . . A 34 LEU CD1 . 36338 1 339 . 1 . 1 34 34 LEU CD2 C 13 25.376 0.300 . 2 . . . . A 34 LEU CD2 . 36338 1 340 . 1 . 1 34 34 LEU N N 15 122.039 0.300 . 1 . . . . A 34 LEU N . 36338 1 341 . 1 . 1 35 35 LYS H H 1 7.979 0.030 . 1 . . . . A 35 LYS H . 36338 1 342 . 1 . 1 35 35 LYS HA H 1 3.891 0.030 . 1 . . . . A 35 LYS HA . 36338 1 343 . 1 . 1 35 35 LYS HB2 H 1 1.881 0.030 . 1 . . . . A 35 LYS HB2 . 36338 1 344 . 1 . 1 35 35 LYS HB3 H 1 1.881 0.030 . 1 . . . . A 35 LYS HB3 . 36338 1 345 . 1 . 1 35 35 LYS HG2 H 1 1.693 0.030 . 1 . . . . A 35 LYS HG2 . 36338 1 346 . 1 . 1 35 35 LYS HG3 H 1 1.693 0.030 . 1 . . . . A 35 LYS HG3 . 36338 1 347 . 1 . 1 35 35 LYS HD2 H 1 1.691 0.030 . 1 . . . . A 35 LYS HD2 . 36338 1 348 . 1 . 1 35 35 LYS HD3 H 1 1.691 0.030 . 1 . . . . A 35 LYS HD3 . 36338 1 349 . 1 . 1 35 35 LYS HE2 H 1 2.965 0.030 . 1 . . . . A 35 LYS HE2 . 36338 1 350 . 1 . 1 35 35 LYS HE3 H 1 2.965 0.030 . 1 . . . . A 35 LYS HE3 . 36338 1 351 . 1 . 1 35 35 LYS C C 13 179.197 0.300 . 1 . . . . A 35 LYS C . 36338 1 352 . 1 . 1 35 35 LYS CA C 13 59.966 0.300 . 1 . . . . A 35 LYS CA . 36338 1 353 . 1 . 1 35 35 LYS CB C 13 32.572 0.300 . 1 . . . . A 35 LYS CB . 36338 1 354 . 1 . 1 35 35 LYS CG C 13 25.863 0.300 . 1 . . . . A 35 LYS CG . 36338 1 355 . 1 . 1 35 35 LYS CD C 13 25.892 0.300 . 1 . . . . A 35 LYS CD . 36338 1 356 . 1 . 1 35 35 LYS CE C 13 42.138 0.300 . 1 . . . . A 35 LYS CE . 36338 1 357 . 1 . 1 35 35 LYS N N 15 117.721 0.300 . 1 . . . . A 35 LYS N . 36338 1 358 . 1 . 1 36 36 ARG H H 1 7.658 0.030 . 1 . . . . A 36 ARG H . 36338 1 359 . 1 . 1 36 36 ARG HA H 1 4.197 0.030 . 1 . . . . A 36 ARG HA . 36338 1 360 . 1 . 1 36 36 ARG HB2 H 1 1.998 0.030 . 1 . . . . A 36 ARG HB2 . 36338 1 361 . 1 . 1 36 36 ARG HB3 H 1 1.998 0.030 . 1 . . . . A 36 ARG HB3 . 36338 1 362 . 1 . 1 36 36 ARG HG2 H 1 1.770 0.030 . 1 . . . . A 36 ARG HG2 . 36338 1 363 . 1 . 1 36 36 ARG HG3 H 1 1.770 0.030 . 1 . . . . A 36 ARG HG3 . 36338 1 364 . 1 . 1 36 36 ARG HD2 H 1 3.244 0.030 . 1 . . . . A 36 ARG HD2 . 36338 1 365 . 1 . 1 36 36 ARG HD3 H 1 3.244 0.030 . 1 . . . . A 36 ARG HD3 . 36338 1 366 . 1 . 1 36 36 ARG C C 13 179.260 0.300 . 1 . . . . A 36 ARG C . 36338 1 367 . 1 . 1 36 36 ARG CA C 13 58.445 0.300 . 1 . . . . A 36 ARG CA . 36338 1 368 . 1 . 1 36 36 ARG CB C 13 30.026 0.300 . 1 . . . . A 36 ARG CB . 36338 1 369 . 1 . 1 36 36 ARG CG C 13 27.237 0.300 . 1 . . . . A 36 ARG CG . 36338 1 370 . 1 . 1 36 36 ARG CD C 13 43.297 0.300 . 1 . . . . A 36 ARG CD . 36338 1 371 . 1 . 1 36 36 ARG N N 15 120.249 0.300 . 1 . . . . A 36 ARG N . 36338 1 372 . 1 . 1 37 37 LEU H H 1 8.463 0.030 . 1 . . . . A 37 LEU H . 36338 1 373 . 1 . 1 37 37 LEU HA H 1 4.127 0.030 . 1 . . . . A 37 LEU HA . 36338 1 374 . 1 . 1 37 37 LEU HB2 H 1 2.180 0.030 . 1 . . . . A 37 LEU HB2 . 36338 1 375 . 1 . 1 37 37 LEU HB3 H 1 2.180 0.030 . 1 . . . . A 37 LEU HB3 . 36338 1 376 . 1 . 1 37 37 LEU HG H 1 1.854 0.030 . 1 . . . . A 37 LEU HG . 36338 1 377 . 1 . 1 37 37 LEU HD11 H 1 0.338 0.030 . 2 . . . . A 37 LEU HD11 . 36338 1 378 . 1 . 1 37 37 LEU HD12 H 1 0.338 0.030 . 2 . . . . A 37 LEU HD12 . 36338 1 379 . 1 . 1 37 37 LEU HD13 H 1 0.338 0.030 . 2 . . . . A 37 LEU HD13 . 36338 1 380 . 1 . 1 37 37 LEU HD21 H 1 0.575 0.030 . 2 . . . . A 37 LEU HD21 . 36338 1 381 . 1 . 1 37 37 LEU HD22 H 1 0.575 0.030 . 2 . . . . A 37 LEU HD22 . 36338 1 382 . 1 . 1 37 37 LEU HD23 H 1 0.575 0.030 . 2 . . . . A 37 LEU HD23 . 36338 1 383 . 1 . 1 37 37 LEU C C 13 179.156 0.300 . 1 . . . . A 37 LEU C . 36338 1 384 . 1 . 1 37 37 LEU CA C 13 57.898 0.300 . 1 . . . . A 37 LEU CA . 36338 1 385 . 1 . 1 37 37 LEU CB C 13 42.172 0.300 . 1 . . . . A 37 LEU CB . 36338 1 386 . 1 . 1 37 37 LEU CG C 13 26.681 0.300 . 1 . . . . A 37 LEU CG . 36338 1 387 . 1 . 1 37 37 LEU CD1 C 13 23.833 0.300 . 2 . . . . A 37 LEU CD1 . 36338 1 388 . 1 . 1 37 37 LEU CD2 C 13 26.694 0.300 . 2 . . . . A 37 LEU CD2 . 36338 1 389 . 1 . 1 37 37 LEU N N 15 118.647 0.300 . 1 . . . . A 37 LEU N . 36338 1 390 . 1 . 1 38 38 ALA H H 1 8.348 0.030 . 1 . . . . A 38 ALA H . 36338 1 391 . 1 . 1 38 38 ALA HA H 1 3.887 0.030 . 1 . . . . A 38 ALA HA . 36338 1 392 . 1 . 1 38 38 ALA HB1 H 1 1.622 0.030 . 1 . . . . A 38 ALA HB1 . 36338 1 393 . 1 . 1 38 38 ALA HB2 H 1 1.622 0.030 . 1 . . . . A 38 ALA HB2 . 36338 1 394 . 1 . 1 38 38 ALA HB3 H 1 1.622 0.030 . 1 . . . . A 38 ALA HB3 . 36338 1 395 . 1 . 1 38 38 ALA C C 13 179.052 0.300 . 1 . . . . A 38 ALA C . 36338 1 396 . 1 . 1 38 38 ALA CA C 13 55.468 0.300 . 1 . . . . A 38 ALA CA . 36338 1 397 . 1 . 1 38 38 ALA CB C 13 18.956 0.300 . 1 . . . . A 38 ALA CB . 36338 1 398 . 1 . 1 38 38 ALA N N 15 121.493 0.300 . 1 . . . . A 38 ALA N . 36338 1 399 . 1 . 1 39 39 GLU H H 1 8.009 0.030 . 1 . . . . A 39 GLU H . 36338 1 400 . 1 . 1 39 39 GLU HA H 1 3.884 0.030 . 1 . . . . A 39 GLU HA . 36338 1 401 . 1 . 1 39 39 GLU HB2 H 1 1.913 0.030 . 1 . . . . A 39 GLU HB2 . 36338 1 402 . 1 . 1 39 39 GLU HB3 H 1 1.913 0.030 . 1 . . . . A 39 GLU HB3 . 36338 1 403 . 1 . 1 39 39 GLU HG2 H 1 2.360 0.030 . 1 . . . . A 39 GLU HG2 . 36338 1 404 . 1 . 1 39 39 GLU HG3 H 1 2.360 0.030 . 1 . . . . A 39 GLU HG3 . 36338 1 405 . 1 . 1 39 39 GLU C C 13 178.969 0.300 . 1 . . . . A 39 GLU C . 36338 1 406 . 1 . 1 39 39 GLU CA C 13 60.045 0.300 . 1 . . . . A 39 GLU CA . 36338 1 407 . 1 . 1 39 39 GLU CB C 13 29.026 0.300 . 1 . . . . A 39 GLU CB . 36338 1 408 . 1 . 1 39 39 GLU CG C 13 36.500 0.300 . 1 . . . . A 39 GLU CG . 36338 1 409 . 1 . 1 39 39 GLU N N 15 118.106 0.300 . 1 . . . . A 39 GLU N . 36338 1 410 . 1 . 1 40 40 GLU H H 1 7.726 0.030 . 1 . . . . A 40 GLU H . 36338 1 411 . 1 . 1 40 40 GLU HA H 1 4.785 0.030 . 1 . . . . A 40 GLU HA . 36338 1 412 . 1 . 1 40 40 GLU HB2 H 1 2.639 0.030 . 1 . . . . A 40 GLU HB2 . 36338 1 413 . 1 . 1 40 40 GLU HB3 H 1 2.639 0.030 . 1 . . . . A 40 GLU HB3 . 36338 1 414 . 1 . 1 40 40 GLU C C 13 179.962 0.300 . 1 . . . . A 40 GLU C . 36338 1 415 . 1 . 1 40 40 GLU CA C 13 58.346 0.300 . 1 . . . . A 40 GLU CA . 36338 1 416 . 1 . 1 40 40 GLU CB C 13 29.623 0.300 . 1 . . . . A 40 GLU CB . 36338 1 417 . 1 . 1 40 40 GLU N N 15 117.139 0.300 . 1 . . . . A 40 GLU N . 36338 1 418 . 1 . 1 41 41 ILE H H 1 8.017 0.030 . 1 . . . . A 41 ILE H . 36338 1 419 . 1 . 1 41 41 ILE HA H 1 3.350 0.030 . 1 . . . . A 41 ILE HA . 36338 1 420 . 1 . 1 41 41 ILE HB H 1 1.854 0.030 . 1 . . . . A 41 ILE HB . 36338 1 421 . 1 . 1 41 41 ILE HG12 H 1 0.481 0.030 . 1 . . . . A 41 ILE HG12 . 36338 1 422 . 1 . 1 41 41 ILE HG13 H 1 0.481 0.030 . 1 . . . . A 41 ILE HG13 . 36338 1 423 . 1 . 1 41 41 ILE HG21 H 1 0.479 0.030 . 1 . . . . A 41 ILE HG21 . 36338 1 424 . 1 . 1 41 41 ILE HG22 H 1 0.479 0.030 . 1 . . . . A 41 ILE HG22 . 36338 1 425 . 1 . 1 41 41 ILE HG23 H 1 0.479 0.030 . 1 . . . . A 41 ILE HG23 . 36338 1 426 . 1 . 1 41 41 ILE HD11 H 1 0.682 0.030 . 1 . . . . A 41 ILE HD11 . 36338 1 427 . 1 . 1 41 41 ILE HD12 H 1 0.682 0.030 . 1 . . . . A 41 ILE HD12 . 36338 1 428 . 1 . 1 41 41 ILE HD13 H 1 0.682 0.030 . 1 . . . . A 41 ILE HD13 . 36338 1 429 . 1 . 1 41 41 ILE C C 13 177.008 0.300 . 1 . . . . A 41 ILE C . 36338 1 430 . 1 . 1 41 41 ILE CA C 13 65.098 0.300 . 1 . . . . A 41 ILE CA . 36338 1 431 . 1 . 1 41 41 ILE CB C 13 36.331 0.300 . 1 . . . . A 41 ILE CB . 36338 1 432 . 1 . 1 41 41 ILE CG2 C 13 18.707 0.300 . 1 . . . . A 41 ILE CG2 . 36338 1 433 . 1 . 1 41 41 ILE CD1 C 13 13.429 0.300 . 1 . . . . A 41 ILE CD1 . 36338 1 434 . 1 . 1 41 41 ILE N N 15 119.091 0.300 . 1 . . . . A 41 ILE N . 36338 1 435 . 1 . 1 42 42 ALA H H 1 8.151 0.030 . 1 . . . . A 42 ALA H . 36338 1 436 . 1 . 1 42 42 ALA HA H 1 3.714 0.030 . 1 . . . . A 42 ALA HA . 36338 1 437 . 1 . 1 42 42 ALA HB1 H 1 1.359 0.030 . 1 . . . . A 42 ALA HB1 . 36338 1 438 . 1 . 1 42 42 ALA HB2 H 1 1.359 0.030 . 1 . . . . A 42 ALA HB2 . 36338 1 439 . 1 . 1 42 42 ALA HB3 H 1 1.359 0.030 . 1 . . . . A 42 ALA HB3 . 36338 1 440 . 1 . 1 42 42 ALA C C 13 178.479 0.300 . 1 . . . . A 42 ALA C . 36338 1 441 . 1 . 1 42 42 ALA CA C 13 55.836 0.300 . 1 . . . . A 42 ALA CA . 36338 1 442 . 1 . 1 42 42 ALA CB C 13 18.704 0.300 . 1 . . . . A 42 ALA CB . 36338 1 443 . 1 . 1 42 42 ALA N N 15 121.007 0.300 . 1 . . . . A 42 ALA N . 36338 1 444 . 1 . 1 43 43 GLU H H 1 8.058 0.030 . 1 . . . . A 43 GLU H . 36338 1 445 . 1 . 1 43 43 GLU HA H 1 4.134 0.030 . 1 . . . . A 43 GLU HA . 36338 1 446 . 1 . 1 43 43 GLU HB2 H 1 2.197 0.030 . 1 . . . . A 43 GLU HB2 . 36338 1 447 . 1 . 1 43 43 GLU HB3 H 1 2.197 0.030 . 1 . . . . A 43 GLU HB3 . 36338 1 448 . 1 . 1 43 43 GLU C C 13 178.433 0.300 . 1 . . . . A 43 GLU C . 36338 1 449 . 1 . 1 43 43 GLU CA C 13 59.217 0.300 . 1 . . . . A 43 GLU CA . 36338 1 450 . 1 . 1 43 43 GLU CB C 13 29.359 0.300 . 1 . . . . A 43 GLU CB . 36338 1 451 . 1 . 1 43 43 GLU N N 15 116.754 0.300 . 1 . . . . A 43 GLU N . 36338 1 452 . 1 . 1 44 44 ALA H H 1 8.311 0.030 . 1 . . . . A 44 ALA H . 36338 1 453 . 1 . 1 44 44 ALA HA H 1 3.879 0.030 . 1 . . . . A 44 ALA HA . 36338 1 454 . 1 . 1 44 44 ALA HB1 H 1 1.424 0.030 . 1 . . . . A 44 ALA HB1 . 36338 1 455 . 1 . 1 44 44 ALA HB2 H 1 1.424 0.030 . 1 . . . . A 44 ALA HB2 . 36338 1 456 . 1 . 1 44 44 ALA HB3 H 1 1.424 0.030 . 1 . . . . A 44 ALA HB3 . 36338 1 457 . 1 . 1 44 44 ALA C C 13 178.397 0.300 . 1 . . . . A 44 ALA C . 36338 1 458 . 1 . 1 44 44 ALA CA C 13 55.468 0.300 . 1 . . . . A 44 ALA CA . 36338 1 459 . 1 . 1 44 44 ALA CB C 13 19.121 0.300 . 1 . . . . A 44 ALA CB . 36338 1 460 . 1 . 1 44 44 ALA N N 15 121.794 0.300 . 1 . . . . A 44 ALA N . 36338 1 461 . 1 . 1 45 45 ALA H H 1 8.680 0.030 . 1 . . . . A 45 ALA H . 36338 1 462 . 1 . 1 45 45 ALA HA H 1 3.876 0.030 . 1 . . . . A 45 ALA HA . 36338 1 463 . 1 . 1 45 45 ALA HB1 H 1 1.237 0.030 . 1 . . . . A 45 ALA HB1 . 36338 1 464 . 1 . 1 45 45 ALA HB2 H 1 1.237 0.030 . 1 . . . . A 45 ALA HB2 . 36338 1 465 . 1 . 1 45 45 ALA HB3 H 1 1.237 0.030 . 1 . . . . A 45 ALA HB3 . 36338 1 466 . 1 . 1 45 45 ALA C C 13 180.392 0.300 . 1 . . . . A 45 ALA C . 36338 1 467 . 1 . 1 45 45 ALA CA C 13 54.912 0.300 . 1 . . . . A 45 ALA CA . 36338 1 468 . 1 . 1 45 45 ALA CB C 13 18.490 0.300 . 1 . . . . A 45 ALA CB . 36338 1 469 . 1 . 1 45 45 ALA N N 15 119.765 0.300 . 1 . . . . A 45 ALA N . 36338 1 470 . 1 . 1 46 46 LEU H H 1 8.296 0.030 . 1 . . . . A 46 LEU H . 36338 1 471 . 1 . 1 46 46 LEU HA H 1 3.977 0.030 . 1 . . . . A 46 LEU HA . 36338 1 472 . 1 . 1 46 46 LEU HB2 H 1 1.477 0.030 . 2 . . . . A 46 LEU HB2 . 36338 1 473 . 1 . 1 46 46 LEU HB3 H 1 1.804 0.030 . 2 . . . . A 46 LEU HB3 . 36338 1 474 . 1 . 1 46 46 LEU HG H 1 0.800 0.030 . 1 . . . . A 46 LEU HG . 36338 1 475 . 1 . 1 46 46 LEU HD11 H 1 0.794 0.030 . 2 . . . . A 46 LEU HD11 . 36338 1 476 . 1 . 1 46 46 LEU HD12 H 1 0.794 0.030 . 2 . . . . A 46 LEU HD12 . 36338 1 477 . 1 . 1 46 46 LEU HD13 H 1 0.794 0.030 . 2 . . . . A 46 LEU HD13 . 36338 1 478 . 1 . 1 46 46 LEU HD21 H 1 0.804 0.030 . 2 . . . . A 46 LEU HD21 . 36338 1 479 . 1 . 1 46 46 LEU HD22 H 1 0.804 0.030 . 2 . . . . A 46 LEU HD22 . 36338 1 480 . 1 . 1 46 46 LEU HD23 H 1 0.804 0.030 . 2 . . . . A 46 LEU HD23 . 36338 1 481 . 1 . 1 46 46 LEU C C 13 179.275 0.300 . 1 . . . . A 46 LEU C . 36338 1 482 . 1 . 1 46 46 LEU CA C 13 57.830 0.300 . 1 . . . . A 46 LEU CA . 36338 1 483 . 1 . 1 46 46 LEU CB C 13 41.395 0.300 . 1 . . . . A 46 LEU CB . 36338 1 484 . 1 . 1 46 46 LEU CD1 C 13 23.702 0.300 . 2 . . . . A 46 LEU CD1 . 36338 1 485 . 1 . 1 46 46 LEU CD2 C 13 25.172 0.300 . 2 . . . . A 46 LEU CD2 . 36338 1 486 . 1 . 1 46 46 LEU N N 15 120.444 0.300 . 1 . . . . A 46 LEU N . 36338 1 487 . 1 . 1 47 47 ALA H H 1 8.356 0.030 . 1 . . . . A 47 ALA H . 36338 1 488 . 1 . 1 47 47 ALA HA H 1 3.981 0.030 . 1 . . . . A 47 ALA HA . 36338 1 489 . 1 . 1 47 47 ALA HB1 H 1 1.552 0.030 . 1 . . . . A 47 ALA HB1 . 36338 1 490 . 1 . 1 47 47 ALA HB2 H 1 1.552 0.030 . 1 . . . . A 47 ALA HB2 . 36338 1 491 . 1 . 1 47 47 ALA HB3 H 1 1.552 0.030 . 1 . . . . A 47 ALA HB3 . 36338 1 492 . 1 . 1 47 47 ALA C C 13 179.929 0.300 . 1 . . . . A 47 ALA C . 36338 1 493 . 1 . 1 47 47 ALA CA C 13 55.537 0.300 . 1 . . . . A 47 ALA CA . 36338 1 494 . 1 . 1 47 47 ALA CB C 13 17.909 0.300 . 1 . . . . A 47 ALA CB . 36338 1 495 . 1 . 1 47 47 ALA N N 15 122.286 0.300 . 1 . . . . A 47 ALA N . 36338 1 496 . 1 . 1 48 48 GLN H H 1 8.566 0.030 . 1 . . . . A 48 GLN H . 36338 1 497 . 1 . 1 48 48 GLN HA H 1 3.914 0.030 . 1 . . . . A 48 GLN HA . 36338 1 498 . 1 . 1 48 48 GLN HB2 H 1 2.354 0.030 . 1 . . . . A 48 GLN HB2 . 36338 1 499 . 1 . 1 48 48 GLN HB3 H 1 2.354 0.030 . 1 . . . . A 48 GLN HB3 . 36338 1 500 . 1 . 1 48 48 GLN HG2 H 1 2.222 0.030 . 1 . . . . A 48 GLN HG2 . 36338 1 501 . 1 . 1 48 48 GLN HG3 H 1 2.222 0.030 . 1 . . . . A 48 GLN HG3 . 36338 1 502 . 1 . 1 48 48 GLN HE21 H 1 6.243 0.030 . 2 . . . . A 48 GLN HE21 . 36338 1 503 . 1 . 1 48 48 GLN HE22 H 1 7.437 0.030 . 2 . . . . A 48 GLN HE22 . 36338 1 504 . 1 . 1 48 48 GLN C C 13 179.392 0.300 . 1 . . . . A 48 GLN C . 36338 1 505 . 1 . 1 48 48 GLN CA C 13 59.150 0.300 . 1 . . . . A 48 GLN CA . 36338 1 506 . 1 . 1 48 48 GLN CB C 13 28.910 0.300 . 1 . . . . A 48 GLN CB . 36338 1 507 . 1 . 1 48 48 GLN CG C 13 34.056 0.300 . 1 . . . . A 48 GLN CG . 36338 1 508 . 1 . 1 48 48 GLN N N 15 118.323 0.300 . 1 . . . . A 48 GLN N . 36338 1 509 . 1 . 1 48 48 GLN NE2 N 15 108.064 0.300 . 1 . . . . A 48 GLN NE2 . 36338 1 510 . 1 . 1 49 49 GLN H H 1 8.032 0.030 . 1 . . . . A 49 GLN H . 36338 1 511 . 1 . 1 49 49 GLN HA H 1 3.995 0.030 . 1 . . . . A 49 GLN HA . 36338 1 512 . 1 . 1 49 49 GLN HB2 H 1 2.406 0.030 . 1 . . . . A 49 GLN HB2 . 36338 1 513 . 1 . 1 49 49 GLN HB3 H 1 2.406 0.030 . 1 . . . . A 49 GLN HB3 . 36338 1 514 . 1 . 1 49 49 GLN HG2 H 1 2.183 0.030 . 1 . . . . A 49 GLN HG2 . 36338 1 515 . 1 . 1 49 49 GLN HG3 H 1 2.183 0.030 . 1 . . . . A 49 GLN HG3 . 36338 1 516 . 1 . 1 49 49 GLN C C 13 177.645 0.300 . 1 . . . . A 49 GLN C . 36338 1 517 . 1 . 1 49 49 GLN CA C 13 58.986 0.300 . 1 . . . . A 49 GLN CA . 36338 1 518 . 1 . 1 49 49 GLN CB C 13 29.088 0.300 . 1 . . . . A 49 GLN CB . 36338 1 519 . 1 . 1 49 49 GLN CG C 13 34.065 0.300 . 1 . . . . A 49 GLN CG . 36338 1 520 . 1 . 1 49 49 GLN N N 15 121.013 0.300 . 1 . . . . A 49 GLN N . 36338 1 521 . 1 . 1 50 50 GLN H H 1 7.827 0.030 . 1 . . . . A 50 GLN H . 36338 1 522 . 1 . 1 50 50 GLN HA H 1 4.276 0.030 . 1 . . . . A 50 GLN HA . 36338 1 523 . 1 . 1 50 50 GLN HB2 H 1 2.059 0.030 . 1 . . . . A 50 GLN HB2 . 36338 1 524 . 1 . 1 50 50 GLN HB3 H 1 2.059 0.030 . 1 . . . . A 50 GLN HB3 . 36338 1 525 . 1 . 1 50 50 GLN HG2 H 1 2.542 0.030 . 1 . . . . A 50 GLN HG2 . 36338 1 526 . 1 . 1 50 50 GLN HG3 H 1 2.542 0.030 . 1 . . . . A 50 GLN HG3 . 36338 1 527 . 1 . 1 50 50 GLN C C 13 176.320 0.300 . 1 . . . . A 50 GLN C . 36338 1 528 . 1 . 1 50 50 GLN CA C 13 55.790 0.300 . 1 . . . . A 50 GLN CA . 36338 1 529 . 1 . 1 50 50 GLN CB C 13 29.128 0.300 . 1 . . . . A 50 GLN CB . 36338 1 530 . 1 . 1 50 50 GLN CG C 13 34.137 0.300 . 1 . . . . A 50 GLN CG . 36338 1 531 . 1 . 1 50 50 GLN N N 15 115.190 0.300 . 1 . . . . A 50 GLN N . 36338 1 532 . 1 . 1 51 51 GLY H H 1 7.840 0.030 . 1 . . . . A 51 GLY H . 36338 1 533 . 1 . 1 51 51 GLY HA2 H 1 3.873 0.030 . 2 . . . . A 51 GLY HA2 . 36338 1 534 . 1 . 1 51 51 GLY HA3 H 1 4.046 0.030 . 2 . . . . A 51 GLY HA3 . 36338 1 535 . 1 . 1 51 51 GLY C C 13 174.112 0.300 . 1 . . . . A 51 GLY C . 36338 1 536 . 1 . 1 51 51 GLY CA C 13 46.261 0.300 . 1 . . . . A 51 GLY CA . 36338 1 537 . 1 . 1 51 51 GLY N N 15 109.384 0.300 . 1 . . . . A 51 GLY N . 36338 1 538 . 1 . 1 52 52 ASP H H 1 8.058 0.030 . 1 . . . . A 52 ASP H . 36338 1 539 . 1 . 1 52 52 ASP HA H 1 4.851 0.030 . 1 . . . . A 52 ASP HA . 36338 1 540 . 1 . 1 52 52 ASP HB2 H 1 2.394 0.030 . 2 . . . . A 52 ASP HB2 . 36338 1 541 . 1 . 1 52 52 ASP HB3 H 1 2.923 0.030 . 2 . . . . A 52 ASP HB3 . 36338 1 542 . 1 . 1 52 52 ASP C C 13 175.514 0.300 . 1 . . . . A 52 ASP C . 36338 1 543 . 1 . 1 52 52 ASP CA C 13 51.966 0.300 . 1 . . . . A 52 ASP CA . 36338 1 544 . 1 . 1 52 52 ASP CB C 13 40.975 0.300 . 1 . . . . A 52 ASP CB . 36338 1 545 . 1 . 1 52 52 ASP N N 15 120.059 0.300 . 1 . . . . A 52 ASP N . 36338 1 546 . 1 . 1 53 53 SER H H 1 8.197 0.030 . 1 . . . . A 53 SER H . 36338 1 547 . 1 . 1 53 53 SER HA H 1 4.835 0.030 . 1 . . . . A 53 SER HA . 36338 1 548 . 1 . 1 53 53 SER HB2 H 1 3.952 0.030 . 1 . . . . A 53 SER HB2 . 36338 1 549 . 1 . 1 53 53 SER HB3 H 1 3.952 0.030 . 1 . . . . A 53 SER HB3 . 36338 1 550 . 1 . 1 53 53 SER C C 13 176.156 0.300 . 1 . . . . A 53 SER C . 36338 1 551 . 1 . 1 53 53 SER CA C 13 62.694 0.300 . 1 . . . . A 53 SER CA . 36338 1 552 . 1 . 1 53 53 SER CB C 13 62.900 0.300 . 1 . . . . A 53 SER CB . 36338 1 553 . 1 . 1 53 53 SER N N 15 120.424 0.300 . 1 . . . . A 53 SER N . 36338 1 554 . 1 . 1 54 54 GLU H H 1 8.417 0.030 . 1 . . . . A 54 GLU H . 36338 1 555 . 1 . 1 54 54 GLU HA H 1 4.157 0.030 . 1 . . . . A 54 GLU HA . 36338 1 556 . 1 . 1 54 54 GLU HB2 H 1 2.365 0.030 . 1 . . . . A 54 GLU HB2 . 36338 1 557 . 1 . 1 54 54 GLU HB3 H 1 2.365 0.030 . 1 . . . . A 54 GLU HB3 . 36338 1 558 . 1 . 1 54 54 GLU HG2 H 1 2.082 0.030 . 1 . . . . A 54 GLU HG2 . 36338 1 559 . 1 . 1 54 54 GLU HG3 H 1 2.082 0.030 . 1 . . . . A 54 GLU HG3 . 36338 1 560 . 1 . 1 54 54 GLU C C 13 178.813 0.300 . 1 . . . . A 54 GLU C . 36338 1 561 . 1 . 1 54 54 GLU CA C 13 59.647 0.300 . 1 . . . . A 54 GLU CA . 36338 1 562 . 1 . 1 54 54 GLU CB C 13 29.543 0.300 . 1 . . . . A 54 GLU CB . 36338 1 563 . 1 . 1 54 54 GLU CG C 13 36.390 0.300 . 1 . . . . A 54 GLU CG . 36338 1 564 . 1 . 1 54 54 GLU N N 15 122.910 0.300 . 1 . . . . A 54 GLU N . 36338 1 565 . 1 . 1 55 55 ARG H H 1 7.779 0.030 . 1 . . . . A 55 ARG H . 36338 1 566 . 1 . 1 55 55 ARG HA H 1 3.972 0.030 . 1 . . . . A 55 ARG HA . 36338 1 567 . 1 . 1 55 55 ARG HB2 H 1 1.647 0.030 . 2 . . . . A 55 ARG HB2 . 36338 1 568 . 1 . 1 55 55 ARG HB3 H 1 1.786 0.030 . 2 . . . . A 55 ARG HB3 . 36338 1 569 . 1 . 1 55 55 ARG HG2 H 1 1.471 0.030 . 1 . . . . A 55 ARG HG2 . 36338 1 570 . 1 . 1 55 55 ARG HG3 H 1 1.471 0.030 . 1 . . . . A 55 ARG HG3 . 36338 1 571 . 1 . 1 55 55 ARG HD2 H 1 2.998 0.030 . 2 . . . . A 55 ARG HD2 . 36338 1 572 . 1 . 1 55 55 ARG HD3 H 1 3.271 0.030 . 2 . . . . A 55 ARG HD3 . 36338 1 573 . 1 . 1 55 55 ARG C C 13 179.057 0.300 . 1 . . . . A 55 ARG C . 36338 1 574 . 1 . 1 55 55 ARG CA C 13 59.299 0.300 . 1 . . . . A 55 ARG CA . 36338 1 575 . 1 . 1 55 55 ARG CB C 13 31.452 0.300 . 1 . . . . A 55 ARG CB . 36338 1 576 . 1 . 1 55 55 ARG CG C 13 27.892 0.300 . 1 . . . . A 55 ARG CG . 36338 1 577 . 1 . 1 55 55 ARG CD C 13 44.270 0.300 . 1 . . . . A 55 ARG CD . 36338 1 578 . 1 . 1 55 55 ARG N N 15 120.578 0.300 . 1 . . . . A 55 ARG N . 36338 1 579 . 1 . 1 56 56 LEU H H 1 7.900 0.030 . 1 . . . . A 56 LEU H . 36338 1 580 . 1 . 1 56 56 LEU HA H 1 3.955 0.030 . 1 . . . . A 56 LEU HA . 36338 1 581 . 1 . 1 56 56 LEU HB2 H 1 2.051 0.030 . 1 . . . . A 56 LEU HB2 . 36338 1 582 . 1 . 1 56 56 LEU HB3 H 1 2.051 0.030 . 1 . . . . A 56 LEU HB3 . 36338 1 583 . 1 . 1 56 56 LEU HD11 H 1 1.023 0.030 . 2 . . . . A 56 LEU HD11 . 36338 1 584 . 1 . 1 56 56 LEU HD12 H 1 1.023 0.030 . 2 . . . . A 56 LEU HD12 . 36338 1 585 . 1 . 1 56 56 LEU HD13 H 1 1.023 0.030 . 2 . . . . A 56 LEU HD13 . 36338 1 586 . 1 . 1 56 56 LEU HD21 H 1 0.938 0.030 . 2 . . . . A 56 LEU HD21 . 36338 1 587 . 1 . 1 56 56 LEU HD22 H 1 0.938 0.030 . 2 . . . . A 56 LEU HD22 . 36338 1 588 . 1 . 1 56 56 LEU HD23 H 1 0.938 0.030 . 2 . . . . A 56 LEU HD23 . 36338 1 589 . 1 . 1 56 56 LEU C C 13 177.423 0.300 . 1 . . . . A 56 LEU C . 36338 1 590 . 1 . 1 56 56 LEU CA C 13 59.491 0.300 . 1 . . . . A 56 LEU CA . 36338 1 591 . 1 . 1 56 56 LEU CB C 13 42.083 0.300 . 1 . . . . A 56 LEU CB . 36338 1 592 . 1 . 1 56 56 LEU CG C 13 25.402 0.300 . 1 . . . . A 56 LEU CG . 36338 1 593 . 1 . 1 56 56 LEU CD1 C 13 25.107 0.300 . 2 . . . . A 56 LEU CD1 . 36338 1 594 . 1 . 1 56 56 LEU CD2 C 13 25.512 0.300 . 2 . . . . A 56 LEU CD2 . 36338 1 595 . 1 . 1 56 56 LEU N N 15 121.851 0.300 . 1 . . . . A 56 LEU N . 36338 1 596 . 1 . 1 57 57 GLU H H 1 8.364 0.030 . 1 . . . . A 57 GLU H . 36338 1 597 . 1 . 1 57 57 GLU HA H 1 3.805 0.030 . 1 . . . . A 57 GLU HA . 36338 1 598 . 1 . 1 57 57 GLU HB2 H 1 2.142 0.030 . 1 . . . . A 57 GLU HB2 . 36338 1 599 . 1 . 1 57 57 GLU HB3 H 1 2.142 0.030 . 1 . . . . A 57 GLU HB3 . 36338 1 600 . 1 . 1 57 57 GLU HG2 H 1 2.256 0.030 . 2 . . . . A 57 GLU HG2 . 36338 1 601 . 1 . 1 57 57 GLU HG3 H 1 2.484 0.030 . 2 . . . . A 57 GLU HG3 . 36338 1 602 . 1 . 1 57 57 GLU C C 13 178.993 0.300 . 1 . . . . A 57 GLU C . 36338 1 603 . 1 . 1 57 57 GLU CA C 13 60.323 0.300 . 1 . . . . A 57 GLU CA . 36338 1 604 . 1 . 1 57 57 GLU CB C 13 29.311 0.300 . 1 . . . . A 57 GLU CB . 36338 1 605 . 1 . 1 57 57 GLU CG C 13 36.610 0.300 . 1 . . . . A 57 GLU CG . 36338 1 606 . 1 . 1 57 57 GLU N N 15 119.289 0.300 . 1 . . . . A 57 GLU N . 36338 1 607 . 1 . 1 58 58 LYS H H 1 8.013 0.030 . 1 . . . . A 58 LYS H . 36338 1 608 . 1 . 1 58 58 LYS HA H 1 3.972 0.030 . 1 . . . . A 58 LYS HA . 36338 1 609 . 1 . 1 58 58 LYS HB2 H 1 1.869 0.030 . 1 . . . . A 58 LYS HB2 . 36338 1 610 . 1 . 1 58 58 LYS HB3 H 1 1.869 0.030 . 1 . . . . A 58 LYS HB3 . 36338 1 611 . 1 . 1 58 58 LYS C C 13 179.028 0.300 . 1 . . . . A 58 LYS C . 36338 1 612 . 1 . 1 58 58 LYS CA C 13 60.107 0.300 . 1 . . . . A 58 LYS CA . 36338 1 613 . 1 . 1 58 58 LYS CB C 13 32.424 0.300 . 1 . . . . A 58 LYS CB . 36338 1 614 . 1 . 1 58 58 LYS CG C 13 25.870 0.300 . 1 . . . . A 58 LYS CG . 36338 1 615 . 1 . 1 58 58 LYS N N 15 117.808 0.300 . 1 . . . . A 58 LYS N . 36338 1 616 . 1 . 1 59 59 ALA H H 1 7.931 0.030 . 1 . . . . A 59 ALA H . 36338 1 617 . 1 . 1 59 59 ALA HA H 1 4.337 0.030 . 1 . . . . A 59 ALA HA . 36338 1 618 . 1 . 1 59 59 ALA HB1 H 1 1.719 0.030 . 1 . . . . A 59 ALA HB1 . 36338 1 619 . 1 . 1 59 59 ALA HB2 H 1 1.719 0.030 . 1 . . . . A 59 ALA HB2 . 36338 1 620 . 1 . 1 59 59 ALA HB3 H 1 1.719 0.030 . 1 . . . . A 59 ALA HB3 . 36338 1 621 . 1 . 1 59 59 ALA C C 13 179.775 0.300 . 1 . . . . A 59 ALA C . 36338 1 622 . 1 . 1 59 59 ALA CA C 13 55.230 0.300 . 1 . . . . A 59 ALA CA . 36338 1 623 . 1 . 1 59 59 ALA CB C 13 18.565 0.300 . 1 . . . . A 59 ALA CB . 36338 1 624 . 1 . 1 59 59 ALA N N 15 122.159 0.300 . 1 . . . . A 59 ALA N . 36338 1 625 . 1 . 1 60 60 ALA H H 1 8.852 0.030 . 1 . . . . A 60 ALA H . 36338 1 626 . 1 . 1 60 60 ALA HA H 1 4.066 0.030 . 1 . . . . A 60 ALA HA . 36338 1 627 . 1 . 1 60 60 ALA HB1 H 1 1.390 0.030 . 1 . . . . A 60 ALA HB1 . 36338 1 628 . 1 . 1 60 60 ALA HB2 H 1 1.390 0.030 . 1 . . . . A 60 ALA HB2 . 36338 1 629 . 1 . 1 60 60 ALA HB3 H 1 1.390 0.030 . 1 . . . . A 60 ALA HB3 . 36338 1 630 . 1 . 1 60 60 ALA C C 13 179.146 0.300 . 1 . . . . A 60 ALA C . 36338 1 631 . 1 . 1 60 60 ALA CA C 13 55.424 0.300 . 1 . . . . A 60 ALA CA . 36338 1 632 . 1 . 1 60 60 ALA CB C 13 18.751 0.300 . 1 . . . . A 60 ALA CB . 36338 1 633 . 1 . 1 60 60 ALA N N 15 120.934 0.300 . 1 . . . . A 60 ALA N . 36338 1 634 . 1 . 1 61 61 ARG H H 1 8.099 0.030 . 1 . . . . A 61 ARG H . 36338 1 635 . 1 . 1 61 61 ARG HA H 1 3.976 0.030 . 1 . . . . A 61 ARG HA . 36338 1 636 . 1 . 1 61 61 ARG HB2 H 1 1.900 0.030 . 1 . . . . A 61 ARG HB2 . 36338 1 637 . 1 . 1 61 61 ARG HB3 H 1 1.900 0.030 . 1 . . . . A 61 ARG HB3 . 36338 1 638 . 1 . 1 61 61 ARG HD2 H 1 3.178 0.030 . 1 . . . . A 61 ARG HD2 . 36338 1 639 . 1 . 1 61 61 ARG HD3 H 1 3.178 0.030 . 1 . . . . A 61 ARG HD3 . 36338 1 640 . 1 . 1 61 61 ARG C C 13 179.095 0.300 . 1 . . . . A 61 ARG C . 36338 1 641 . 1 . 1 61 61 ARG CA C 13 59.631 0.300 . 1 . . . . A 61 ARG CA . 36338 1 642 . 1 . 1 61 61 ARG CB C 13 29.783 0.300 . 1 . . . . A 61 ARG CB . 36338 1 643 . 1 . 1 61 61 ARG CD C 13 43.506 0.300 . 1 . . . . A 61 ARG CD . 36338 1 644 . 1 . 1 61 61 ARG N N 15 116.819 0.300 . 1 . . . . A 61 ARG N . 36338 1 645 . 1 . 1 62 62 ARG H H 1 8.164 0.030 . 1 . . . . A 62 ARG H . 36338 1 646 . 1 . 1 62 62 ARG HA H 1 4.117 0.030 . 1 . . . . A 62 ARG HA . 36338 1 647 . 1 . 1 62 62 ARG HB2 H 1 1.758 0.030 . 1 . . . . A 62 ARG HB2 . 36338 1 648 . 1 . 1 62 62 ARG HB3 H 1 1.758 0.030 . 1 . . . . A 62 ARG HB3 . 36338 1 649 . 1 . 1 62 62 ARG C C 13 179.983 0.300 . 1 . . . . A 62 ARG C . 36338 1 650 . 1 . 1 62 62 ARG CA C 13 60.369 0.300 . 1 . . . . A 62 ARG CA . 36338 1 651 . 1 . 1 62 62 ARG CB C 13 30.364 0.300 . 1 . . . . A 62 ARG CB . 36338 1 652 . 1 . 1 62 62 ARG CG C 13 28.667 0.300 . 1 . . . . A 62 ARG CG . 36338 1 653 . 1 . 1 62 62 ARG N N 15 119.725 0.300 . 1 . . . . A 62 ARG N . 36338 1 654 . 1 . 1 63 63 PHE H H 1 8.970 0.030 . 1 . . . . A 63 PHE H . 36338 1 655 . 1 . 1 63 63 PHE HA H 1 3.943 0.030 . 1 . . . . A 63 PHE HA . 36338 1 656 . 1 . 1 63 63 PHE HB2 H 1 3.241 0.030 . 2 . . . . A 63 PHE HB2 . 36338 1 657 . 1 . 1 63 63 PHE HB3 H 1 3.374 0.030 . 2 . . . . A 63 PHE HB3 . 36338 1 658 . 1 . 1 63 63 PHE HD1 H 1 7.240 0.030 . 1 . . . . A 63 PHE HD1 . 36338 1 659 . 1 . 1 63 63 PHE HD2 H 1 7.240 0.030 . 1 . . . . A 63 PHE HD2 . 36338 1 660 . 1 . 1 63 63 PHE HE1 H 1 7.175 0.030 . 1 . . . . A 63 PHE HE1 . 36338 1 661 . 1 . 1 63 63 PHE HE2 H 1 7.175 0.030 . 1 . . . . A 63 PHE HE2 . 36338 1 662 . 1 . 1 63 63 PHE HZ H 1 7.246 0.030 . 1 . . . . A 63 PHE HZ . 36338 1 663 . 1 . 1 63 63 PHE C C 13 175.554 0.300 . 1 . . . . A 63 PHE C . 36338 1 664 . 1 . 1 63 63 PHE CA C 13 62.087 0.300 . 1 . . . . A 63 PHE CA . 36338 1 665 . 1 . 1 63 63 PHE CB C 13 39.286 0.300 . 1 . . . . A 63 PHE CB . 36338 1 666 . 1 . 1 63 63 PHE CD1 C 13 133.037 0.300 . 1 . . . . A 63 PHE CD1 . 36338 1 667 . 1 . 1 63 63 PHE CD2 C 13 133.037 0.300 . 1 . . . . A 63 PHE CD2 . 36338 1 668 . 1 . 1 63 63 PHE CE1 C 13 131.371 0.300 . 1 . . . . A 63 PHE CE1 . 36338 1 669 . 1 . 1 63 63 PHE CE2 C 13 131.371 0.300 . 1 . . . . A 63 PHE CE2 . 36338 1 670 . 1 . 1 63 63 PHE CZ C 13 127.528 0.300 . 1 . . . . A 63 PHE CZ . 36338 1 671 . 1 . 1 63 63 PHE N N 15 121.545 0.300 . 1 . . . . A 63 PHE N . 36338 1 672 . 1 . 1 64 64 ALA H H 1 8.331 0.030 . 1 . . . . A 64 ALA H . 36338 1 673 . 1 . 1 64 64 ALA HA H 1 3.531 0.030 . 1 . . . . A 64 ALA HA . 36338 1 674 . 1 . 1 64 64 ALA HB1 H 1 1.365 0.030 . 1 . . . . A 64 ALA HB1 . 36338 1 675 . 1 . 1 64 64 ALA HB2 H 1 1.365 0.030 . 1 . . . . A 64 ALA HB2 . 36338 1 676 . 1 . 1 64 64 ALA HB3 H 1 1.365 0.030 . 1 . . . . A 64 ALA HB3 . 36338 1 677 . 1 . 1 64 64 ALA C C 13 178.777 0.300 . 1 . . . . A 64 ALA C . 36338 1 678 . 1 . 1 64 64 ALA CA C 13 55.572 0.300 . 1 . . . . A 64 ALA CA . 36338 1 679 . 1 . 1 64 64 ALA CB C 13 18.815 0.300 . 1 . . . . A 64 ALA CB . 36338 1 680 . 1 . 1 64 64 ALA N N 15 120.421 0.300 . 1 . . . . A 64 ALA N . 36338 1 681 . 1 . 1 65 65 GLU H H 1 8.386 0.030 . 1 . . . . A 65 GLU H . 36338 1 682 . 1 . 1 65 65 GLU HA H 1 3.884 0.030 . 1 . . . . A 65 GLU HA . 36338 1 683 . 1 . 1 65 65 GLU HB2 H 1 2.244 0.030 . 1 . . . . A 65 GLU HB2 . 36338 1 684 . 1 . 1 65 65 GLU HB3 H 1 2.244 0.030 . 1 . . . . A 65 GLU HB3 . 36338 1 685 . 1 . 1 65 65 GLU HG2 H 1 2.031 0.030 . 1 . . . . A 65 GLU HG2 . 36338 1 686 . 1 . 1 65 65 GLU HG3 H 1 2.031 0.030 . 1 . . . . A 65 GLU HG3 . 36338 1 687 . 1 . 1 65 65 GLU C C 13 179.412 0.300 . 1 . . . . A 65 GLU C . 36338 1 688 . 1 . 1 65 65 GLU CA C 13 59.398 0.300 . 1 . . . . A 65 GLU CA . 36338 1 689 . 1 . 1 65 65 GLU CB C 13 29.623 0.300 . 1 . . . . A 65 GLU CB . 36338 1 690 . 1 . 1 65 65 GLU CG C 13 36.718 0.300 . 1 . . . . A 65 GLU CG . 36338 1 691 . 1 . 1 65 65 GLU N N 15 116.122 0.300 . 1 . . . . A 65 GLU N . 36338 1 692 . 1 . 1 66 66 THR H H 1 8.097 0.030 . 1 . . . . A 66 THR H . 36338 1 693 . 1 . 1 66 66 THR HA H 1 3.762 0.030 . 1 . . . . A 66 THR HA . 36338 1 694 . 1 . 1 66 66 THR HB H 1 4.109 0.030 . 1 . . . . A 66 THR HB . 36338 1 695 . 1 . 1 66 66 THR HG21 H 1 1.045 0.030 . 1 . . . . A 66 THR HG21 . 36338 1 696 . 1 . 1 66 66 THR HG22 H 1 1.045 0.030 . 1 . . . . A 66 THR HG22 . 36338 1 697 . 1 . 1 66 66 THR HG23 H 1 1.045 0.030 . 1 . . . . A 66 THR HG23 . 36338 1 698 . 1 . 1 66 66 THR C C 13 176.243 0.300 . 1 . . . . A 66 THR C . 36338 1 699 . 1 . 1 66 66 THR CA C 13 66.531 0.300 . 1 . . . . A 66 THR CA . 36338 1 700 . 1 . 1 66 66 THR CB C 13 68.185 0.300 . 1 . . . . A 66 THR CB . 36338 1 701 . 1 . 1 66 66 THR CG2 C 13 21.541 0.300 . 1 . . . . A 66 THR CG2 . 36338 1 702 . 1 . 1 66 66 THR N N 15 117.339 0.300 . 1 . . . . A 66 THR N . 36338 1 703 . 1 . 1 67 67 LEU H H 1 8.275 0.030 . 1 . . . . A 67 LEU H . 36338 1 704 . 1 . 1 67 67 LEU HA H 1 3.594 0.030 . 1 . . . . A 67 LEU HA . 36338 1 705 . 1 . 1 67 67 LEU HB2 H 1 1.494 0.030 . 1 . . . . A 67 LEU HB2 . 36338 1 706 . 1 . 1 67 67 LEU HB3 H 1 1.494 0.030 . 1 . . . . A 67 LEU HB3 . 36338 1 707 . 1 . 1 67 67 LEU HG H 1 1.243 0.030 . 1 . . . . A 67 LEU HG . 36338 1 708 . 1 . 1 67 67 LEU HD11 H 1 0.588 0.030 . 2 . . . . A 67 LEU HD11 . 36338 1 709 . 1 . 1 67 67 LEU HD12 H 1 0.588 0.030 . 2 . . . . A 67 LEU HD12 . 36338 1 710 . 1 . 1 67 67 LEU HD13 H 1 0.588 0.030 . 2 . . . . A 67 LEU HD13 . 36338 1 711 . 1 . 1 67 67 LEU HD21 H 1 0.637 0.030 . 2 . . . . A 67 LEU HD21 . 36338 1 712 . 1 . 1 67 67 LEU HD22 H 1 0.637 0.030 . 2 . . . . A 67 LEU HD22 . 36338 1 713 . 1 . 1 67 67 LEU HD23 H 1 0.637 0.030 . 2 . . . . A 67 LEU HD23 . 36338 1 714 . 1 . 1 67 67 LEU C C 13 177.324 0.300 . 1 . . . . A 67 LEU C . 36338 1 715 . 1 . 1 67 67 LEU CA C 13 58.261 0.300 . 1 . . . . A 67 LEU CA . 36338 1 716 . 1 . 1 67 67 LEU CB C 13 41.410 0.300 . 1 . . . . A 67 LEU CB . 36338 1 717 . 1 . 1 67 67 LEU CG C 13 27.055 0.300 . 1 . . . . A 67 LEU CG . 36338 1 718 . 1 . 1 67 67 LEU CD1 C 13 23.069 0.300 . 2 . . . . A 67 LEU CD1 . 36338 1 719 . 1 . 1 67 67 LEU CD2 C 13 26.755 0.300 . 2 . . . . A 67 LEU CD2 . 36338 1 720 . 1 . 1 67 67 LEU N N 15 122.882 0.300 . 1 . . . . A 67 LEU N . 36338 1 721 . 1 . 1 68 68 LEU H H 1 8.314 0.030 . 1 . . . . A 68 LEU H . 36338 1 722 . 1 . 1 68 68 LEU HA H 1 3.729 0.030 . 1 . . . . A 68 LEU HA . 36338 1 723 . 1 . 1 68 68 LEU HB2 H 1 1.664 0.030 . 2 . . . . A 68 LEU HB2 . 36338 1 724 . 1 . 1 68 68 LEU HB3 H 1 1.719 0.030 . 2 . . . . A 68 LEU HB3 . 36338 1 725 . 1 . 1 68 68 LEU HD11 H 1 0.844 0.030 . 2 . . . . A 68 LEU HD11 . 36338 1 726 . 1 . 1 68 68 LEU HD12 H 1 0.844 0.030 . 2 . . . . A 68 LEU HD12 . 36338 1 727 . 1 . 1 68 68 LEU HD13 H 1 0.844 0.030 . 2 . . . . A 68 LEU HD13 . 36338 1 728 . 1 . 1 68 68 LEU HD21 H 1 0.845 0.030 . 2 . . . . A 68 LEU HD21 . 36338 1 729 . 1 . 1 68 68 LEU HD22 H 1 0.845 0.030 . 2 . . . . A 68 LEU HD22 . 36338 1 730 . 1 . 1 68 68 LEU HD23 H 1 0.845 0.030 . 2 . . . . A 68 LEU HD23 . 36338 1 731 . 1 . 1 68 68 LEU C C 13 178.778 0.300 . 1 . . . . A 68 LEU C . 36338 1 732 . 1 . 1 68 68 LEU CA C 13 58.425 0.300 . 1 . . . . A 68 LEU CA . 36338 1 733 . 1 . 1 68 68 LEU CB C 13 41.111 0.300 . 1 . . . . A 68 LEU CB . 36338 1 734 . 1 . 1 68 68 LEU CG C 13 28.158 0.300 . 1 . . . . A 68 LEU CG . 36338 1 735 . 1 . 1 68 68 LEU CD1 C 13 24.594 0.300 . 2 . . . . A 68 LEU CD1 . 36338 1 736 . 1 . 1 68 68 LEU CD2 C 13 24.514 0.300 . 2 . . . . A 68 LEU CD2 . 36338 1 737 . 1 . 1 68 68 LEU N N 15 118.254 0.300 . 1 . . . . A 68 LEU N . 36338 1 738 . 1 . 1 69 69 ARG H H 1 7.871 0.030 . 1 . . . . A 69 ARG H . 36338 1 739 . 1 . 1 69 69 ARG HA H 1 3.934 0.030 . 1 . . . . A 69 ARG HA . 36338 1 740 . 1 . 1 69 69 ARG HB2 H 1 1.886 0.030 . 1 . . . . A 69 ARG HB2 . 36338 1 741 . 1 . 1 69 69 ARG HB3 H 1 1.886 0.030 . 1 . . . . A 69 ARG HB3 . 36338 1 742 . 1 . 1 69 69 ARG HD2 H 1 3.181 0.030 . 1 . . . . A 69 ARG HD2 . 36338 1 743 . 1 . 1 69 69 ARG HD3 H 1 3.181 0.030 . 1 . . . . A 69 ARG HD3 . 36338 1 744 . 1 . 1 69 69 ARG C C 13 178.313 0.300 . 1 . . . . A 69 ARG C . 36338 1 745 . 1 . 1 69 69 ARG CA C 13 59.659 0.300 . 1 . . . . A 69 ARG CA . 36338 1 746 . 1 . 1 69 69 ARG CB C 13 30.030 0.300 . 1 . . . . A 69 ARG CB . 36338 1 747 . 1 . 1 69 69 ARG CG C 13 27.458 0.300 . 1 . . . . A 69 ARG CG . 36338 1 748 . 1 . 1 69 69 ARG CD C 13 43.525 0.300 . 1 . . . . A 69 ARG CD . 36338 1 749 . 1 . 1 69 69 ARG N N 15 117.602 0.300 . 1 . . . . A 69 ARG N . 36338 1 750 . 1 . 1 70 70 ALA H H 1 7.790 0.030 . 1 . . . . A 70 ALA H . 36338 1 751 . 1 . 1 70 70 ALA HA H 1 4.180 0.030 . 1 . . . . A 70 ALA HA . 36338 1 752 . 1 . 1 70 70 ALA HB1 H 1 1.470 0.030 . 1 . . . . A 70 ALA HB1 . 36338 1 753 . 1 . 1 70 70 ALA HB2 H 1 1.470 0.030 . 1 . . . . A 70 ALA HB2 . 36338 1 754 . 1 . 1 70 70 ALA HB3 H 1 1.470 0.030 . 1 . . . . A 70 ALA HB3 . 36338 1 755 . 1 . 1 70 70 ALA C C 13 180.851 0.300 . 1 . . . . A 70 ALA C . 36338 1 756 . 1 . 1 70 70 ALA CA C 13 54.913 0.300 . 1 . . . . A 70 ALA CA . 36338 1 757 . 1 . 1 70 70 ALA CB C 13 18.360 0.300 . 1 . . . . A 70 ALA CB . 36338 1 758 . 1 . 1 70 70 ALA N N 15 119.904 0.300 . 1 . . . . A 70 ALA N . 36338 1 759 . 1 . 1 71 71 LEU H H 1 8.216 0.030 . 1 . . . . A 71 LEU H . 36338 1 760 . 1 . 1 71 71 LEU HA H 1 4.049 0.030 . 1 . . . . A 71 LEU HA . 36338 1 761 . 1 . 1 71 71 LEU HB2 H 1 1.096 0.030 . 2 . . . . A 71 LEU HB2 . 36338 1 762 . 1 . 1 71 71 LEU HB3 H 1 1.702 0.030 . 2 . . . . A 71 LEU HB3 . 36338 1 763 . 1 . 1 71 71 LEU HG H 1 1.652 0.030 . 1 . . . . A 71 LEU HG . 36338 1 764 . 1 . 1 71 71 LEU HD11 H 1 0.241 0.030 . 2 . . . . A 71 LEU HD11 . 36338 1 765 . 1 . 1 71 71 LEU HD12 H 1 0.241 0.030 . 2 . . . . A 71 LEU HD12 . 36338 1 766 . 1 . 1 71 71 LEU HD13 H 1 0.241 0.030 . 2 . . . . A 71 LEU HD13 . 36338 1 767 . 1 . 1 71 71 LEU HD21 H 1 0.524 0.030 . 2 . . . . A 71 LEU HD21 . 36338 1 768 . 1 . 1 71 71 LEU HD22 H 1 0.524 0.030 . 2 . . . . A 71 LEU HD22 . 36338 1 769 . 1 . 1 71 71 LEU HD23 H 1 0.524 0.030 . 2 . . . . A 71 LEU HD23 . 36338 1 770 . 1 . 1 71 71 LEU C C 13 179.516 0.300 . 1 . . . . A 71 LEU C . 36338 1 771 . 1 . 1 71 71 LEU CA C 13 57.275 0.300 . 1 . . . . A 71 LEU CA . 36338 1 772 . 1 . 1 71 71 LEU CB C 13 40.951 0.300 . 1 . . . . A 71 LEU CB . 36338 1 773 . 1 . 1 71 71 LEU CG C 13 26.507 0.300 . 1 . . . . A 71 LEU CG . 36338 1 774 . 1 . 1 71 71 LEU CD1 C 13 21.933 0.300 . 2 . . . . A 71 LEU CD1 . 36338 1 775 . 1 . 1 71 71 LEU CD2 C 13 26.472 0.300 . 2 . . . . A 71 LEU CD2 . 36338 1 776 . 1 . 1 71 71 LEU N N 15 116.177 0.300 . 1 . . . . A 71 LEU N . 36338 1 777 . 1 . 1 72 72 LYS H H 1 8.765 0.030 . 1 . . . . A 72 LYS H . 36338 1 778 . 1 . 1 72 72 LYS HA H 1 4.119 0.030 . 1 . . . . A 72 LYS HA . 36338 1 779 . 1 . 1 72 72 LYS HB2 H 1 1.907 0.030 . 2 . . . . A 72 LYS HB2 . 36338 1 780 . 1 . 1 72 72 LYS HB3 H 1 1.962 0.030 . 2 . . . . A 72 LYS HB3 . 36338 1 781 . 1 . 1 72 72 LYS HG2 H 1 1.439 0.030 . 1 . . . . A 72 LYS HG2 . 36338 1 782 . 1 . 1 72 72 LYS HG3 H 1 1.439 0.030 . 1 . . . . A 72 LYS HG3 . 36338 1 783 . 1 . 1 72 72 LYS HD2 H 1 1.596 0.030 . 1 . . . . A 72 LYS HD2 . 36338 1 784 . 1 . 1 72 72 LYS HD3 H 1 1.596 0.030 . 1 . . . . A 72 LYS HD3 . 36338 1 785 . 1 . 1 72 72 LYS C C 13 181.428 0.300 . 1 . . . . A 72 LYS C . 36338 1 786 . 1 . 1 72 72 LYS CA C 13 60.041 0.300 . 1 . . . . A 72 LYS CA . 36338 1 787 . 1 . 1 72 72 LYS CB C 13 31.649 0.300 . 1 . . . . A 72 LYS CB . 36338 1 788 . 1 . 1 72 72 LYS N N 15 121.447 0.300 . 1 . . . . A 72 LYS N . 36338 1 789 . 1 . 1 73 73 GLU H H 1 8.425 0.030 . 1 . . . . A 73 GLU H . 36338 1 790 . 1 . 1 73 73 GLU HA H 1 4.101 0.030 . 1 . . . . A 73 GLU HA . 36338 1 791 . 1 . 1 73 73 GLU HB2 H 1 2.325 0.030 . 2 . . . . A 73 GLU HB2 . 36338 1 792 . 1 . 1 73 73 GLU HB3 H 1 2.507 0.030 . 2 . . . . A 73 GLU HB3 . 36338 1 793 . 1 . 1 73 73 GLU HG2 H 1 2.153 0.030 . 1 . . . . A 73 GLU HG2 . 36338 1 794 . 1 . 1 73 73 GLU HG3 H 1 2.153 0.030 . 1 . . . . A 73 GLU HG3 . 36338 1 795 . 1 . 1 73 73 GLU C C 13 178.023 0.300 . 1 . . . . A 73 GLU C . 36338 1 796 . 1 . 1 73 73 GLU CA C 13 59.235 0.300 . 1 . . . . A 73 GLU CA . 36338 1 797 . 1 . 1 73 73 GLU CB C 13 29.047 0.300 . 1 . . . . A 73 GLU CB . 36338 1 798 . 1 . 1 73 73 GLU CG C 13 37.142 0.300 . 1 . . . . A 73 GLU CG . 36338 1 799 . 1 . 1 73 73 GLU N N 15 120.225 0.300 . 1 . . . . A 73 GLU N . 36338 1 800 . 1 . 1 74 74 SER H H 1 7.471 0.030 . 1 . . . . A 74 SER H . 36338 1 801 . 1 . 1 74 74 SER HA H 1 4.559 0.030 . 1 . . . . A 74 SER HA . 36338 1 802 . 1 . 1 74 74 SER HB2 H 1 4.084 0.030 . 2 . . . . A 74 SER HB2 . 36338 1 803 . 1 . 1 74 74 SER HB3 H 1 4.114 0.030 . 2 . . . . A 74 SER HB3 . 36338 1 804 . 1 . 1 74 74 SER C C 13 174.602 0.300 . 1 . . . . A 74 SER C . 36338 1 805 . 1 . 1 74 74 SER CA C 13 59.058 0.300 . 1 . . . . A 74 SER CA . 36338 1 806 . 1 . 1 74 74 SER CB C 13 64.242 0.300 . 1 . . . . A 74 SER CB . 36338 1 807 . 1 . 1 74 74 SER N N 15 112.440 0.300 . 1 . . . . A 74 SER N . 36338 1 808 . 1 . 1 75 75 GLY H H 1 7.820 0.030 . 1 . . . . A 75 GLY H . 36338 1 809 . 1 . 1 75 75 GLY HA2 H 1 3.803 0.030 . 2 . . . . A 75 GLY HA2 . 36338 1 810 . 1 . 1 75 75 GLY HA3 H 1 4.231 0.030 . 2 . . . . A 75 GLY HA3 . 36338 1 811 . 1 . 1 75 75 GLY C C 13 174.678 0.300 . 1 . . . . A 75 GLY C . 36338 1 812 . 1 . 1 75 75 GLY CA C 13 45.586 0.300 . 1 . . . . A 75 GLY CA . 36338 1 813 . 1 . 1 75 75 GLY N N 15 108.778 0.300 . 1 . . . . A 75 GLY N . 36338 1 814 . 1 . 1 76 76 ALA H H 1 7.811 0.030 . 1 . . . . A 76 ALA H . 36338 1 815 . 1 . 1 76 76 ALA HA H 1 4.502 0.030 . 1 . . . . A 76 ALA HA . 36338 1 816 . 1 . 1 76 76 ALA HB1 H 1 1.266 0.030 . 1 . . . . A 76 ALA HB1 . 36338 1 817 . 1 . 1 76 76 ALA HB2 H 1 1.266 0.030 . 1 . . . . A 76 ALA HB2 . 36338 1 818 . 1 . 1 76 76 ALA HB3 H 1 1.266 0.030 . 1 . . . . A 76 ALA HB3 . 36338 1 819 . 1 . 1 76 76 ALA C C 13 177.047 0.300 . 1 . . . . A 76 ALA C . 36338 1 820 . 1 . 1 76 76 ALA CA C 13 52.309 0.300 . 1 . . . . A 76 ALA CA . 36338 1 821 . 1 . 1 76 76 ALA CB C 13 20.011 0.300 . 1 . . . . A 76 ALA CB . 36338 1 822 . 1 . 1 76 76 ALA N N 15 122.766 0.300 . 1 . . . . A 76 ALA N . 36338 1 823 . 1 . 1 77 77 SER H H 1 9.059 0.030 . 1 . . . . A 77 SER H . 36338 1 824 . 1 . 1 77 77 SER HA H 1 4.560 0.030 . 1 . . . . A 77 SER HA . 36338 1 825 . 1 . 1 77 77 SER HB2 H 1 4.108 0.030 . 2 . . . . A 77 SER HB2 . 36338 1 826 . 1 . 1 77 77 SER HB3 H 1 4.452 0.030 . 2 . . . . A 77 SER HB3 . 36338 1 827 . 1 . 1 77 77 SER C C 13 174.870 0.300 . 1 . . . . A 77 SER C . 36338 1 828 . 1 . 1 77 77 SER CA C 13 57.114 0.300 . 1 . . . . A 77 SER CA . 36338 1 829 . 1 . 1 77 77 SER CB C 13 66.029 0.300 . 1 . . . . A 77 SER CB . 36338 1 830 . 1 . 1 77 77 SER N N 15 118.575 0.300 . 1 . . . . A 77 SER N . 36338 1 831 . 1 . 1 78 78 ALA HA H 1 3.912 0.030 . 1 . . . . A 78 ALA HA . 36338 1 832 . 1 . 1 78 78 ALA HB1 H 1 1.421 0.030 . 1 . . . . A 78 ALA HB1 . 36338 1 833 . 1 . 1 78 78 ALA HB2 H 1 1.421 0.030 . 1 . . . . A 78 ALA HB2 . 36338 1 834 . 1 . 1 78 78 ALA HB3 H 1 1.421 0.030 . 1 . . . . A 78 ALA HB3 . 36338 1 835 . 1 . 1 78 78 ALA C C 13 179.935 0.300 . 1 . . . . A 78 ALA C . 36338 1 836 . 1 . 1 78 78 ALA CA C 13 55.878 0.300 . 1 . . . . A 78 ALA CA . 36338 1 837 . 1 . 1 78 78 ALA CB C 13 18.228 0.300 . 1 . . . . A 78 ALA CB . 36338 1 838 . 1 . 1 78 78 ALA N N 15 121.088 0.300 . 1 . . . . A 78 ALA N . 36338 1 839 . 1 . 1 79 79 GLU H H 1 8.815 0.030 . 1 . . . . A 79 GLU H . 36338 1 840 . 1 . 1 79 79 GLU HA H 1 4.067 0.030 . 1 . . . . A 79 GLU HA . 36338 1 841 . 1 . 1 79 79 GLU HB2 H 1 2.090 0.030 . 1 . . . . A 79 GLU HB2 . 36338 1 842 . 1 . 1 79 79 GLU HB3 H 1 2.090 0.030 . 1 . . . . A 79 GLU HB3 . 36338 1 843 . 1 . 1 79 79 GLU HG2 H 1 2.485 0.030 . 1 . . . . A 79 GLU HG2 . 36338 1 844 . 1 . 1 79 79 GLU HG3 H 1 2.485 0.030 . 1 . . . . A 79 GLU HG3 . 36338 1 845 . 1 . 1 79 79 GLU C C 13 179.474 0.300 . 1 . . . . A 79 GLU C . 36338 1 846 . 1 . 1 79 79 GLU CA C 13 60.478 0.300 . 1 . . . . A 79 GLU CA . 36338 1 847 . 1 . 1 79 79 GLU CB C 13 29.003 0.300 . 1 . . . . A 79 GLU CB . 36338 1 848 . 1 . 1 79 79 GLU N N 15 117.304 0.300 . 1 . . . . A 79 GLU N . 36338 1 849 . 1 . 1 80 80 GLU H H 1 7.820 0.030 . 1 . . . . A 80 GLU H . 36338 1 850 . 1 . 1 80 80 GLU HA H 1 4.140 0.030 . 1 . . . . A 80 GLU HA . 36338 1 851 . 1 . 1 80 80 GLU HB2 H 1 2.052 0.030 . 2 . . . . A 80 GLU HB2 . 36338 1 852 . 1 . 1 80 80 GLU HB3 H 1 2.543 0.030 . 2 . . . . A 80 GLU HB3 . 36338 1 853 . 1 . 1 80 80 GLU HG2 H 1 2.390 0.030 . 1 . . . . A 80 GLU HG2 . 36338 1 854 . 1 . 1 80 80 GLU HG3 H 1 2.390 0.030 . 1 . . . . A 80 GLU HG3 . 36338 1 855 . 1 . 1 80 80 GLU C C 13 179.479 0.300 . 1 . . . . A 80 GLU C . 36338 1 856 . 1 . 1 80 80 GLU CA C 13 59.318 0.300 . 1 . . . . A 80 GLU CA . 36338 1 857 . 1 . 1 80 80 GLU CB C 13 30.536 0.300 . 1 . . . . A 80 GLU CB . 36338 1 858 . 1 . 1 80 80 GLU CG C 13 38.024 0.300 . 1 . . . . A 80 GLU CG . 36338 1 859 . 1 . 1 80 80 GLU N N 15 121.016 0.300 . 1 . . . . A 80 GLU N . 36338 1 860 . 1 . 1 81 81 ILE H H 1 8.334 0.030 . 1 . . . . A 81 ILE H . 36338 1 861 . 1 . 1 81 81 ILE HA H 1 3.488 0.030 . 1 . . . . A 81 ILE HA . 36338 1 862 . 1 . 1 81 81 ILE HB H 1 1.938 0.030 . 1 . . . . A 81 ILE HB . 36338 1 863 . 1 . 1 81 81 ILE HG12 H 1 0.741 0.030 . 2 . . . . A 81 ILE HG12 . 36338 1 864 . 1 . 1 81 81 ILE HG13 H 1 1.797 0.030 . 2 . . . . A 81 ILE HG13 . 36338 1 865 . 1 . 1 81 81 ILE HG21 H 1 0.749 0.030 . 1 . . . . A 81 ILE HG21 . 36338 1 866 . 1 . 1 81 81 ILE HG22 H 1 0.749 0.030 . 1 . . . . A 81 ILE HG22 . 36338 1 867 . 1 . 1 81 81 ILE HG23 H 1 0.749 0.030 . 1 . . . . A 81 ILE HG23 . 36338 1 868 . 1 . 1 81 81 ILE HD11 H 1 0.682 0.030 . 1 . . . . A 81 ILE HD11 . 36338 1 869 . 1 . 1 81 81 ILE HD12 H 1 0.682 0.030 . 1 . . . . A 81 ILE HD12 . 36338 1 870 . 1 . 1 81 81 ILE HD13 H 1 0.682 0.030 . 1 . . . . A 81 ILE HD13 . 36338 1 871 . 1 . 1 81 81 ILE C C 13 179.021 0.300 . 1 . . . . A 81 ILE C . 36338 1 872 . 1 . 1 81 81 ILE CA C 13 66.136 0.300 . 1 . . . . A 81 ILE CA . 36338 1 873 . 1 . 1 81 81 ILE CB C 13 37.735 0.300 . 1 . . . . A 81 ILE CB . 36338 1 874 . 1 . 1 81 81 ILE CG1 C 13 30.138 0.300 . 1 . . . . A 81 ILE CG1 . 36338 1 875 . 1 . 1 81 81 ILE CG2 C 13 17.089 0.300 . 1 . . . . A 81 ILE CG2 . 36338 1 876 . 1 . 1 81 81 ILE CD1 C 13 13.377 0.300 . 1 . . . . A 81 ILE CD1 . 36338 1 877 . 1 . 1 81 81 ILE N N 15 121.401 0.300 . 1 . . . . A 81 ILE N . 36338 1 878 . 1 . 1 82 82 GLU H H 1 8.074 0.030 . 1 . . . . A 82 GLU H . 36338 1 879 . 1 . 1 82 82 GLU HA H 1 3.813 0.030 . 1 . . . . A 82 GLU HA . 36338 1 880 . 1 . 1 82 82 GLU HB2 H 1 2.132 0.030 . 2 . . . . A 82 GLU HB2 . 36338 1 881 . 1 . 1 82 82 GLU HB3 H 1 2.355 0.030 . 2 . . . . A 82 GLU HB3 . 36338 1 882 . 1 . 1 82 82 GLU C C 13 178.756 0.300 . 1 . . . . A 82 GLU C . 36338 1 883 . 1 . 1 82 82 GLU CA C 13 60.679 0.300 . 1 . . . . A 82 GLU CA . 36338 1 884 . 1 . 1 82 82 GLU CB C 13 29.136 0.300 . 1 . . . . A 82 GLU CB . 36338 1 885 . 1 . 1 82 82 GLU CG C 13 36.887 0.300 . 1 . . . . A 82 GLU CG . 36338 1 886 . 1 . 1 82 82 GLU N N 15 119.426 0.300 . 1 . . . . A 82 GLU N . 36338 1 887 . 1 . 1 83 83 GLU H H 1 8.073 0.030 . 1 . . . . A 83 GLU H . 36338 1 888 . 1 . 1 83 83 GLU HA H 1 4.147 0.030 . 1 . . . . A 83 GLU HA . 36338 1 889 . 1 . 1 83 83 GLU HB2 H 1 2.144 0.030 . 1 . . . . A 83 GLU HB2 . 36338 1 890 . 1 . 1 83 83 GLU HB3 H 1 2.144 0.030 . 1 . . . . A 83 GLU HB3 . 36338 1 891 . 1 . 1 83 83 GLU C C 13 179.404 0.300 . 1 . . . . A 83 GLU C . 36338 1 892 . 1 . 1 83 83 GLU CA C 13 59.307 0.300 . 1 . . . . A 83 GLU CA . 36338 1 893 . 1 . 1 83 83 GLU CB C 13 29.221 0.300 . 1 . . . . A 83 GLU CB . 36338 1 894 . 1 . 1 83 83 GLU CG C 13 36.209 0.300 . 1 . . . . A 83 GLU CG . 36338 1 895 . 1 . 1 83 83 GLU N N 15 119.358 0.300 . 1 . . . . A 83 GLU N . 36338 1 896 . 1 . 1 84 84 ALA H H 1 8.346 0.030 . 1 . . . . A 84 ALA H . 36338 1 897 . 1 . 1 84 84 ALA HA H 1 3.894 0.030 . 1 . . . . A 84 ALA HA . 36338 1 898 . 1 . 1 84 84 ALA HB1 H 1 1.333 0.030 . 1 . . . . A 84 ALA HB1 . 36338 1 899 . 1 . 1 84 84 ALA HB2 H 1 1.333 0.030 . 1 . . . . A 84 ALA HB2 . 36338 1 900 . 1 . 1 84 84 ALA HB3 H 1 1.333 0.030 . 1 . . . . A 84 ALA HB3 . 36338 1 901 . 1 . 1 84 84 ALA C C 13 179.333 0.300 . 1 . . . . A 84 ALA C . 36338 1 902 . 1 . 1 84 84 ALA CA C 13 55.717 0.300 . 1 . . . . A 84 ALA CA . 36338 1 903 . 1 . 1 84 84 ALA CB C 13 17.686 0.300 . 1 . . . . A 84 ALA CB . 36338 1 904 . 1 . 1 84 84 ALA N N 15 122.398 0.300 . 1 . . . . A 84 ALA N . 36338 1 905 . 1 . 1 85 85 ILE H H 1 8.101 0.030 . 1 . . . . A 85 ILE H . 36338 1 906 . 1 . 1 85 85 ILE HA H 1 3.558 0.030 . 1 . . . . A 85 ILE HA . 36338 1 907 . 1 . 1 85 85 ILE HB H 1 2.014 0.030 . 1 . . . . A 85 ILE HB . 36338 1 908 . 1 . 1 85 85 ILE HG12 H 1 0.944 0.030 . 2 . . . . A 85 ILE HG12 . 36338 1 909 . 1 . 1 85 85 ILE HG13 H 1 1.794 0.030 . 2 . . . . A 85 ILE HG13 . 36338 1 910 . 1 . 1 85 85 ILE HG21 H 1 0.942 0.030 . 1 . . . . A 85 ILE HG21 . 36338 1 911 . 1 . 1 85 85 ILE HG22 H 1 0.942 0.030 . 1 . . . . A 85 ILE HG22 . 36338 1 912 . 1 . 1 85 85 ILE HG23 H 1 0.942 0.030 . 1 . . . . A 85 ILE HG23 . 36338 1 913 . 1 . 1 85 85 ILE HD11 H 1 0.754 0.030 . 1 . . . . A 85 ILE HD11 . 36338 1 914 . 1 . 1 85 85 ILE HD12 H 1 0.754 0.030 . 1 . . . . A 85 ILE HD12 . 36338 1 915 . 1 . 1 85 85 ILE HD13 H 1 0.754 0.030 . 1 . . . . A 85 ILE HD13 . 36338 1 916 . 1 . 1 85 85 ILE C C 13 178.034 0.300 . 1 . . . . A 85 ILE C . 36338 1 917 . 1 . 1 85 85 ILE CA C 13 66.128 0.300 . 1 . . . . A 85 ILE CA . 36338 1 918 . 1 . 1 85 85 ILE CB C 13 37.536 0.300 . 1 . . . . A 85 ILE CB . 36338 1 919 . 1 . 1 85 85 ILE CG1 C 13 30.722 0.300 . 1 . . . . A 85 ILE CG1 . 36338 1 920 . 1 . 1 85 85 ILE CG2 C 13 18.103 0.300 . 1 . . . . A 85 ILE CG2 . 36338 1 921 . 1 . 1 85 85 ILE CD1 C 13 13.855 0.300 . 1 . . . . A 85 ILE CD1 . 36338 1 922 . 1 . 1 85 85 ILE N N 15 117.130 0.300 . 1 . . . . A 85 ILE N . 36338 1 923 . 1 . 1 86 86 GLU H H 1 7.962 0.030 . 1 . . . . A 86 GLU H . 36338 1 924 . 1 . 1 86 86 GLU HA H 1 4.461 0.030 . 1 . . . . A 86 GLU HA . 36338 1 925 . 1 . 1 86 86 GLU HB2 H 1 2.123 0.030 . 1 . . . . A 86 GLU HB2 . 36338 1 926 . 1 . 1 86 86 GLU HB3 H 1 2.123 0.030 . 1 . . . . A 86 GLU HB3 . 36338 1 927 . 1 . 1 86 86 GLU HG2 H 1 2.461 0.030 . 1 . . . . A 86 GLU HG2 . 36338 1 928 . 1 . 1 86 86 GLU HG3 H 1 2.461 0.030 . 1 . . . . A 86 GLU HG3 . 36338 1 929 . 1 . 1 86 86 GLU C C 13 179.292 0.300 . 1 . . . . A 86 GLU C . 36338 1 930 . 1 . 1 86 86 GLU CA C 13 58.445 0.300 . 1 . . . . A 86 GLU CA . 36338 1 931 . 1 . 1 86 86 GLU CB C 13 28.795 0.300 . 1 . . . . A 86 GLU CB . 36338 1 932 . 1 . 1 86 86 GLU CG C 13 35.311 0.300 . 1 . . . . A 86 GLU CG . 36338 1 933 . 1 . 1 86 86 GLU N N 15 121.642 0.300 . 1 . . . . A 86 GLU N . 36338 1 934 . 1 . 1 87 87 ARG H H 1 8.631 0.030 . 1 . . . . A 87 ARG H . 36338 1 935 . 1 . 1 87 87 ARG HA H 1 4.074 0.030 . 1 . . . . A 87 ARG HA . 36338 1 936 . 1 . 1 87 87 ARG HB2 H 1 1.971 0.030 . 1 . . . . A 87 ARG HB2 . 36338 1 937 . 1 . 1 87 87 ARG HB3 H 1 1.971 0.030 . 1 . . . . A 87 ARG HB3 . 36338 1 938 . 1 . 1 87 87 ARG HG2 H 1 1.710 0.030 . 2 . . . . A 87 ARG HG2 . 36338 1 939 . 1 . 1 87 87 ARG HG3 H 1 2.197 0.030 . 2 . . . . A 87 ARG HG3 . 36338 1 940 . 1 . 1 87 87 ARG HD2 H 1 3.367 0.030 . 2 . . . . A 87 ARG HD2 . 36338 1 941 . 1 . 1 87 87 ARG HD3 H 1 3.468 0.030 . 2 . . . . A 87 ARG HD3 . 36338 1 942 . 1 . 1 87 87 ARG C C 13 180.638 0.300 . 1 . . . . A 87 ARG C . 36338 1 943 . 1 . 1 87 87 ARG CA C 13 60.445 0.300 . 1 . . . . A 87 ARG CA . 36338 1 944 . 1 . 1 87 87 ARG CB C 13 30.203 0.300 . 1 . . . . A 87 ARG CB . 36338 1 945 . 1 . 1 87 87 ARG CG C 13 28.850 0.300 . 1 . . . . A 87 ARG CG . 36338 1 946 . 1 . 1 87 87 ARG CD C 13 43.683 0.300 . 1 . . . . A 87 ARG CD . 36338 1 947 . 1 . 1 87 87 ARG N N 15 119.410 0.300 . 1 . . . . A 87 ARG N . 36338 1 948 . 1 . 1 88 88 ILE H H 1 8.546 0.030 . 1 . . . . A 88 ILE H . 36338 1 949 . 1 . 1 88 88 ILE HA H 1 3.490 0.030 . 1 . . . . A 88 ILE HA . 36338 1 950 . 1 . 1 88 88 ILE HB H 1 2.244 0.030 . 1 . . . . A 88 ILE HB . 36338 1 951 . 1 . 1 88 88 ILE HG12 H 1 0.844 0.030 . 2 . . . . A 88 ILE HG12 . 36338 1 952 . 1 . 1 88 88 ILE HG13 H 1 2.134 0.030 . 2 . . . . A 88 ILE HG13 . 36338 1 953 . 1 . 1 88 88 ILE HG21 H 1 1.042 0.030 . 1 . . . . A 88 ILE HG21 . 36338 1 954 . 1 . 1 88 88 ILE HG22 H 1 1.042 0.030 . 1 . . . . A 88 ILE HG22 . 36338 1 955 . 1 . 1 88 88 ILE HG23 H 1 1.042 0.030 . 1 . . . . A 88 ILE HG23 . 36338 1 956 . 1 . 1 88 88 ILE HD11 H 1 1.005 0.030 . 1 . . . . A 88 ILE HD11 . 36338 1 957 . 1 . 1 88 88 ILE HD12 H 1 1.005 0.030 . 1 . . . . A 88 ILE HD12 . 36338 1 958 . 1 . 1 88 88 ILE HD13 H 1 1.005 0.030 . 1 . . . . A 88 ILE HD13 . 36338 1 959 . 1 . 1 88 88 ILE C C 13 176.561 0.300 . 1 . . . . A 88 ILE C . 36338 1 960 . 1 . 1 88 88 ILE CA C 13 66.254 0.300 . 1 . . . . A 88 ILE CA . 36338 1 961 . 1 . 1 88 88 ILE CB C 13 38.130 0.300 . 1 . . . . A 88 ILE CB . 36338 1 962 . 1 . 1 88 88 ILE CG1 C 13 30.134 0.300 . 1 . . . . A 88 ILE CG1 . 36338 1 963 . 1 . 1 88 88 ILE CG2 C 13 16.991 0.300 . 1 . . . . A 88 ILE CG2 . 36338 1 964 . 1 . 1 88 88 ILE CD1 C 13 15.447 0.300 . 1 . . . . A 88 ILE CD1 . 36338 1 965 . 1 . 1 88 88 ILE N N 15 122.284 0.300 . 1 . . . . A 88 ILE N . 36338 1 966 . 1 . 1 89 89 ARG H H 1 8.434 0.030 . 1 . . . . A 89 ARG H . 36338 1 967 . 1 . 1 89 89 ARG HA H 1 3.945 0.030 . 1 . . . . A 89 ARG HA . 36338 1 968 . 1 . 1 89 89 ARG HB2 H 1 2.139 0.030 . 1 . . . . A 89 ARG HB2 . 36338 1 969 . 1 . 1 89 89 ARG HB3 H 1 2.139 0.030 . 1 . . . . A 89 ARG HB3 . 36338 1 970 . 1 . 1 89 89 ARG HG2 H 1 1.562 0.030 . 1 . . . . A 89 ARG HG2 . 36338 1 971 . 1 . 1 89 89 ARG HG3 H 1 1.562 0.030 . 1 . . . . A 89 ARG HG3 . 36338 1 972 . 1 . 1 89 89 ARG HD2 H 1 3.176 0.030 . 2 . . . . A 89 ARG HD2 . 36338 1 973 . 1 . 1 89 89 ARG HD3 H 1 3.370 0.030 . 2 . . . . A 89 ARG HD3 . 36338 1 974 . 1 . 1 89 89 ARG C C 13 179.722 0.300 . 1 . . . . A 89 ARG C . 36338 1 975 . 1 . 1 89 89 ARG CA C 13 60.771 0.300 . 1 . . . . A 89 ARG CA . 36338 1 976 . 1 . 1 89 89 ARG CB C 13 29.994 0.300 . 1 . . . . A 89 ARG CB . 36338 1 977 . 1 . 1 89 89 ARG CG C 13 27.351 0.300 . 1 . . . . A 89 ARG CG . 36338 1 978 . 1 . 1 89 89 ARG CD C 13 43.528 0.300 . 1 . . . . A 89 ARG CD . 36338 1 979 . 1 . 1 89 89 ARG N N 15 121.404 0.300 . 1 . . . . A 89 ARG N . 36338 1 980 . 1 . 1 90 90 LYS H H 1 8.334 0.030 . 1 . . . . A 90 LYS H . 36338 1 981 . 1 . 1 90 90 LYS HA H 1 3.894 0.030 . 1 . . . . A 90 LYS HA . 36338 1 982 . 1 . 1 90 90 LYS HB2 H 1 1.886 0.030 . 1 . . . . A 90 LYS HB2 . 36338 1 983 . 1 . 1 90 90 LYS HB3 H 1 1.886 0.030 . 1 . . . . A 90 LYS HB3 . 36338 1 984 . 1 . 1 90 90 LYS HG2 H 1 1.404 0.030 . 1 . . . . A 90 LYS HG2 . 36338 1 985 . 1 . 1 90 90 LYS HG3 H 1 1.404 0.030 . 1 . . . . A 90 LYS HG3 . 36338 1 986 . 1 . 1 90 90 LYS HD2 H 1 1.677 0.030 . 1 . . . . A 90 LYS HD2 . 36338 1 987 . 1 . 1 90 90 LYS HD3 H 1 1.677 0.030 . 1 . . . . A 90 LYS HD3 . 36338 1 988 . 1 . 1 90 90 LYS HE2 H 1 2.730 0.030 . 1 . . . . A 90 LYS HE2 . 36338 1 989 . 1 . 1 90 90 LYS HE3 H 1 2.730 0.030 . 1 . . . . A 90 LYS HE3 . 36338 1 990 . 1 . 1 90 90 LYS C C 13 179.209 0.300 . 1 . . . . A 90 LYS C . 36338 1 991 . 1 . 1 90 90 LYS CA C 13 59.627 0.300 . 1 . . . . A 90 LYS CA . 36338 1 992 . 1 . 1 90 90 LYS CB C 13 32.546 0.300 . 1 . . . . A 90 LYS CB . 36338 1 993 . 1 . 1 90 90 LYS CG C 13 25.870 0.300 . 1 . . . . A 90 LYS CG . 36338 1 994 . 1 . 1 90 90 LYS CD C 13 29.599 0.300 . 1 . . . . A 90 LYS CD . 36338 1 995 . 1 . 1 90 90 LYS CE C 13 40.786 0.300 . 1 . . . . A 90 LYS CE . 36338 1 996 . 1 . 1 90 90 LYS N N 15 118.531 0.300 . 1 . . . . A 90 LYS N . 36338 1 997 . 1 . 1 91 91 ALA H H 1 8.266 0.030 . 1 . . . . A 91 ALA H . 36338 1 998 . 1 . 1 91 91 ALA HA H 1 4.119 0.030 . 1 . . . . A 91 ALA HA . 36338 1 999 . 1 . 1 91 91 ALA HB1 H 1 1.558 0.030 . 1 . . . . A 91 ALA HB1 . 36338 1 1000 . 1 . 1 91 91 ALA HB2 H 1 1.558 0.030 . 1 . . . . A 91 ALA HB2 . 36338 1 1001 . 1 . 1 91 91 ALA HB3 H 1 1.558 0.030 . 1 . . . . A 91 ALA HB3 . 36338 1 1002 . 1 . 1 91 91 ALA C C 13 181.193 0.300 . 1 . . . . A 91 ALA C . 36338 1 1003 . 1 . 1 91 91 ALA CA C 13 55.230 0.300 . 1 . . . . A 91 ALA CA . 36338 1 1004 . 1 . 1 91 91 ALA CB C 13 19.394 0.300 . 1 . . . . A 91 ALA CB . 36338 1 1005 . 1 . 1 91 91 ALA N N 15 121.816 0.300 . 1 . . . . A 91 ALA N . 36338 1 1006 . 1 . 1 92 92 LEU H H 1 8.543 0.030 . 1 . . . . A 92 LEU H . 36338 1 1007 . 1 . 1 92 92 LEU HA H 1 3.883 0.030 . 1 . . . . A 92 LEU HA . 36338 1 1008 . 1 . 1 92 92 LEU HB2 H 1 1.326 0.030 . 2 . . . . A 92 LEU HB2 . 36338 1 1009 . 1 . 1 92 92 LEU HB3 H 1 1.822 0.030 . 2 . . . . A 92 LEU HB3 . 36338 1 1010 . 1 . 1 92 92 LEU HD11 H 1 0.655 0.030 . 2 . . . . A 92 LEU HD11 . 36338 1 1011 . 1 . 1 92 92 LEU HD12 H 1 0.655 0.030 . 2 . . . . A 92 LEU HD12 . 36338 1 1012 . 1 . 1 92 92 LEU HD13 H 1 0.655 0.030 . 2 . . . . A 92 LEU HD13 . 36338 1 1013 . 1 . 1 92 92 LEU HD21 H 1 0.663 0.030 . 2 . . . . A 92 LEU HD21 . 36338 1 1014 . 1 . 1 92 92 LEU HD22 H 1 0.663 0.030 . 2 . . . . A 92 LEU HD22 . 36338 1 1015 . 1 . 1 92 92 LEU HD23 H 1 0.663 0.030 . 2 . . . . A 92 LEU HD23 . 36338 1 1016 . 1 . 1 92 92 LEU C C 13 177.901 0.300 . 1 . . . . A 92 LEU C . 36338 1 1017 . 1 . 1 92 92 LEU CA C 13 57.757 0.300 . 1 . . . . A 92 LEU CA . 36338 1 1018 . 1 . 1 92 92 LEU CB C 13 41.737 0.300 . 1 . . . . A 92 LEU CB . 36338 1 1019 . 1 . 1 92 92 LEU CD1 C 13 23.295 0.300 . 2 . . . . A 92 LEU CD1 . 36338 1 1020 . 1 . 1 92 92 LEU CD2 C 13 25.810 0.300 . 2 . . . . A 92 LEU CD2 . 36338 1 1021 . 1 . 1 92 92 LEU N N 15 117.835 0.300 . 1 . . . . A 92 LEU N . 36338 1 1022 . 1 . 1 93 93 SER H H 1 7.715 0.030 . 1 . . . . A 93 SER H . 36338 1 1023 . 1 . 1 93 93 SER HA H 1 4.033 0.030 . 1 . . . . A 93 SER HA . 36338 1 1024 . 1 . 1 93 93 SER HB2 H 1 4.029 0.030 . 1 . . . . A 93 SER HB2 . 36338 1 1025 . 1 . 1 93 93 SER HB3 H 1 4.029 0.030 . 1 . . . . A 93 SER HB3 . 36338 1 1026 . 1 . 1 93 93 SER C C 13 174.335 0.300 . 1 . . . . A 93 SER C . 36338 1 1027 . 1 . 1 93 93 SER CA C 13 61.685 0.300 . 1 . . . . A 93 SER CA . 36338 1 1028 . 1 . 1 93 93 SER CB C 13 63.422 0.300 . 1 . . . . A 93 SER CB . 36338 1 1029 . 1 . 1 93 93 SER N N 15 110.809 0.300 . 1 . . . . A 93 SER N . 36338 1 1030 . 1 . 1 94 94 LYS H H 1 7.097 0.030 . 1 . . . . A 94 LYS H . 36338 1 1031 . 1 . 1 94 94 LYS HA H 1 4.478 0.030 . 1 . . . . A 94 LYS HA . 36338 1 1032 . 1 . 1 94 94 LYS HB2 H 1 1.798 0.030 . 1 . . . . A 94 LYS HB2 . 36338 1 1033 . 1 . 1 94 94 LYS HB3 H 1 1.798 0.030 . 1 . . . . A 94 LYS HB3 . 36338 1 1034 . 1 . 1 94 94 LYS HG2 H 1 1.466 0.030 . 1 . . . . A 94 LYS HG2 . 36338 1 1035 . 1 . 1 94 94 LYS HG3 H 1 1.466 0.030 . 1 . . . . A 94 LYS HG3 . 36338 1 1036 . 1 . 1 94 94 LYS HE2 H 1 2.998 0.030 . 2 . . . . A 94 LYS HE2 . 36338 1 1037 . 1 . 1 94 94 LYS HE3 H 1 3.272 0.030 . 2 . . . . A 94 LYS HE3 . 36338 1 1038 . 1 . 1 94 94 LYS C C 13 175.904 0.300 . 1 . . . . A 94 LYS C . 36338 1 1039 . 1 . 1 94 94 LYS CA C 13 54.787 0.300 . 1 . . . . A 94 LYS CA . 36338 1 1040 . 1 . 1 94 94 LYS CB C 13 32.875 0.300 . 1 . . . . A 94 LYS CB . 36338 1 1041 . 1 . 1 94 94 LYS CG C 13 27.845 0.300 . 1 . . . . A 94 LYS CG . 36338 1 1042 . 1 . 1 94 94 LYS CE C 13 44.293 0.300 . 1 . . . . A 94 LYS CE . 36338 1 1043 . 1 . 1 94 94 LYS N N 15 116.996 0.300 . 1 . . . . A 94 LYS N . 36338 1 1044 . 1 . 1 95 95 ALA H H 1 7.258 0.030 . 1 . . . . A 95 ALA H . 36338 1 1045 . 1 . 1 95 95 ALA HA H 1 4.407 0.030 . 1 . . . . A 95 ALA HA . 36338 1 1046 . 1 . 1 95 95 ALA HB1 H 1 1.507 0.030 . 1 . . . . A 95 ALA HB1 . 36338 1 1047 . 1 . 1 95 95 ALA HB2 H 1 1.507 0.030 . 1 . . . . A 95 ALA HB2 . 36338 1 1048 . 1 . 1 95 95 ALA HB3 H 1 1.507 0.030 . 1 . . . . A 95 ALA HB3 . 36338 1 1049 . 1 . 1 95 95 ALA C C 13 176.017 0.300 . 1 . . . . A 95 ALA C . 36338 1 1050 . 1 . 1 95 95 ALA CA C 13 51.131 0.300 . 1 . . . . A 95 ALA CA . 36338 1 1051 . 1 . 1 95 95 ALA CB C 13 18.402 0.300 . 1 . . . . A 95 ALA CB . 36338 1 1052 . 1 . 1 95 95 ALA N N 15 127.041 0.300 . 1 . . . . A 95 ALA N . 36338 1 1053 . 1 . 1 96 96 PRO HA H 1 4.409 0.030 . 1 . . . . A 96 PRO HA . 36338 1 1054 . 1 . 1 96 96 PRO HB2 H 1 2.134 0.030 . 1 . . . . A 96 PRO HB2 . 36338 1 1055 . 1 . 1 96 96 PRO HB3 H 1 2.134 0.030 . 1 . . . . A 96 PRO HB3 . 36338 1 1056 . 1 . 1 96 96 PRO HG2 H 1 2.017 0.030 . 1 . . . . A 96 PRO HG2 . 36338 1 1057 . 1 . 1 96 96 PRO HG3 H 1 2.017 0.030 . 1 . . . . A 96 PRO HG3 . 36338 1 1058 . 1 . 1 96 96 PRO HD2 H 1 3.722 0.030 . 1 . . . . A 96 PRO HD2 . 36338 1 1059 . 1 . 1 96 96 PRO HD3 H 1 3.722 0.030 . 1 . . . . A 96 PRO HD3 . 36338 1 1060 . 1 . 1 96 96 PRO C C 13 177.408 0.300 . 1 . . . . A 96 PRO C . 36338 1 1061 . 1 . 1 96 96 PRO CA C 13 63.830 0.300 . 1 . . . . A 96 PRO CA . 36338 1 1062 . 1 . 1 96 96 PRO CB C 13 30.311 0.300 . 1 . . . . A 96 PRO CB . 36338 1 1063 . 1 . 1 96 96 PRO CG C 13 27.653 0.300 . 1 . . . . A 96 PRO CG . 36338 1 1064 . 1 . 1 96 96 PRO CD C 13 50.195 0.300 . 1 . . . . A 96 PRO CD . 36338 1 1065 . 1 . 1 97 97 SER H H 1 8.177 0.030 . 1 . . . . A 97 SER H . 36338 1 1066 . 1 . 1 97 97 SER HA H 1 4.804 0.030 . 1 . . . . A 97 SER HA . 36338 1 1067 . 1 . 1 97 97 SER HB2 H 1 3.580 0.030 . 2 . . . . A 97 SER HB2 . 36338 1 1068 . 1 . 1 97 97 SER HB3 H 1 3.836 0.030 . 2 . . . . A 97 SER HB3 . 36338 1 1069 . 1 . 1 97 97 SER C C 13 173.969 0.300 . 1 . . . . A 97 SER C . 36338 1 1070 . 1 . 1 97 97 SER CA C 13 55.559 0.300 . 1 . . . . A 97 SER CA . 36338 1 1071 . 1 . 1 97 97 SER CB C 13 63.696 0.300 . 1 . . . . A 97 SER CB . 36338 1 1072 . 1 . 1 97 97 SER N N 15 114.770 0.300 . 1 . . . . A 97 SER N . 36338 1 1073 . 1 . 1 98 98 PRO HA H 1 3.833 0.030 . 1 . . . . A 98 PRO HA . 36338 1 1074 . 1 . 1 98 98 PRO HB2 H 1 2.456 0.030 . 2 . . . . A 98 PRO HB2 . 36338 1 1075 . 1 . 1 98 98 PRO HB3 H 1 2.661 0.030 . 2 . . . . A 98 PRO HB3 . 36338 1 1076 . 1 . 1 98 98 PRO HG2 H 1 2.011 0.030 . 2 . . . . A 98 PRO HG2 . 36338 1 1077 . 1 . 1 98 98 PRO HG3 H 1 2.124 0.030 . 2 . . . . A 98 PRO HG3 . 36338 1 1078 . 1 . 1 98 98 PRO HD2 H 1 3.965 0.030 . 2 . . . . A 98 PRO HD2 . 36338 1 1079 . 1 . 1 98 98 PRO HD3 H 1 4.083 0.030 . 2 . . . . A 98 PRO HD3 . 36338 1 1080 . 1 . 1 98 98 PRO C C 13 179.245 0.300 . 1 . . . . A 98 PRO C . 36338 1 1081 . 1 . 1 98 98 PRO CA C 13 59.547 0.300 . 1 . . . . A 98 PRO CA . 36338 1 1082 . 1 . 1 98 98 PRO CB C 13 33.498 0.300 . 1 . . . . A 98 PRO CB . 36338 1 1083 . 1 . 1 98 98 PRO CG C 13 28.212 0.300 . 1 . . . . A 98 PRO CG . 36338 1 1084 . 1 . 1 98 98 PRO CD C 13 51.187 0.300 . 1 . . . . A 98 PRO CD . 36338 1 1085 . 1 . 1 99 99 GLN H H 1 7.910 0.030 . 1 . . . . A 99 GLN H . 36338 1 1086 . 1 . 1 99 99 GLN HA H 1 3.904 0.030 . 1 . . . . A 99 GLN HA . 36338 1 1087 . 1 . 1 99 99 GLN HB2 H 1 1.819 0.030 . 1 . . . . A 99 GLN HB2 . 36338 1 1088 . 1 . 1 99 99 GLN HB3 H 1 1.819 0.030 . 1 . . . . A 99 GLN HB3 . 36338 1 1089 . 1 . 1 99 99 GLN HG2 H 1 2.386 0.030 . 1 . . . . A 99 GLN HG2 . 36338 1 1090 . 1 . 1 99 99 GLN HG3 H 1 2.386 0.030 . 1 . . . . A 99 GLN HG3 . 36338 1 1091 . 1 . 1 99 99 GLN HE21 H 1 6.245 0.030 . 2 . . . . A 99 GLN HE21 . 36338 1 1092 . 1 . 1 99 99 GLN HE22 H 1 7.446 0.030 . 2 . . . . A 99 GLN HE22 . 36338 1 1093 . 1 . 1 99 99 GLN C C 13 179.829 0.300 . 1 . . . . A 99 GLN C . 36338 1 1094 . 1 . 1 99 99 GLN CA C 13 59.327 0.300 . 1 . . . . A 99 GLN CA . 36338 1 1095 . 1 . 1 99 99 GLN CB C 13 28.264 0.300 . 1 . . . . A 99 GLN CB . 36338 1 1096 . 1 . 1 99 99 GLN CG C 13 34.515 0.300 . 1 . . . . A 99 GLN CG . 36338 1 1097 . 1 . 1 99 99 GLN N N 15 117.444 0.300 . 1 . . . . A 99 GLN N . 36338 1 1098 . 1 . 1 99 99 GLN NE2 N 15 108.058 0.300 . 1 . . . . A 99 GLN NE2 . 36338 1 1099 . 1 . 1 100 100 LEU H H 1 7.306 0.030 . 1 . . . . A 100 LEU H . 36338 1 1100 . 1 . 1 100 100 LEU HA H 1 3.869 0.030 . 1 . . . . A 100 LEU HA . 36338 1 1101 . 1 . 1 100 100 LEU HB2 H 1 1.262 0.030 . 2 . . . . A 100 LEU HB2 . 36338 1 1102 . 1 . 1 100 100 LEU HB3 H 1 1.841 0.030 . 2 . . . . A 100 LEU HB3 . 36338 1 1103 . 1 . 1 100 100 LEU HD11 H 1 0.504 0.030 . 2 . . . . A 100 LEU HD11 . 36338 1 1104 . 1 . 1 100 100 LEU HD12 H 1 0.504 0.030 . 2 . . . . A 100 LEU HD12 . 36338 1 1105 . 1 . 1 100 100 LEU HD13 H 1 0.504 0.030 . 2 . . . . A 100 LEU HD13 . 36338 1 1106 . 1 . 1 100 100 LEU HD21 H 1 0.807 0.030 . 2 . . . . A 100 LEU HD21 . 36338 1 1107 . 1 . 1 100 100 LEU HD22 H 1 0.807 0.030 . 2 . . . . A 100 LEU HD22 . 36338 1 1108 . 1 . 1 100 100 LEU HD23 H 1 0.807 0.030 . 2 . . . . A 100 LEU HD23 . 36338 1 1109 . 1 . 1 100 100 LEU C C 13 177.629 0.300 . 1 . . . . A 100 LEU C . 36338 1 1110 . 1 . 1 100 100 LEU CA C 13 57.630 0.300 . 1 . . . . A 100 LEU CA . 36338 1 1111 . 1 . 1 100 100 LEU CB C 13 40.488 0.300 . 1 . . . . A 100 LEU CB . 36338 1 1112 . 1 . 1 100 100 LEU CD1 C 13 23.108 0.300 . 2 . . . . A 100 LEU CD1 . 36338 1 1113 . 1 . 1 100 100 LEU CD2 C 13 23.828 0.300 . 2 . . . . A 100 LEU CD2 . 36338 1 1114 . 1 . 1 100 100 LEU N N 15 118.054 0.300 . 1 . . . . A 100 LEU N . 36338 1 1115 . 1 . 1 101 101 GLN H H 1 7.472 0.030 . 1 . . . . A 101 GLN H . 36338 1 1116 . 1 . 1 101 101 GLN HA H 1 3.894 0.030 . 1 . . . . A 101 GLN HA . 36338 1 1117 . 1 . 1 101 101 GLN HB2 H 1 2.386 0.030 . 1 . . . . A 101 GLN HB2 . 36338 1 1118 . 1 . 1 101 101 GLN HB3 H 1 2.386 0.030 . 1 . . . . A 101 GLN HB3 . 36338 1 1119 . 1 . 1 101 101 GLN HG2 H 1 1.819 0.030 . 1 . . . . A 101 GLN HG2 . 36338 1 1120 . 1 . 1 101 101 GLN HG3 H 1 1.819 0.030 . 1 . . . . A 101 GLN HG3 . 36338 1 1121 . 1 . 1 101 101 GLN HE21 H 1 6.492 0.030 . 2 . . . . A 101 GLN HE21 . 36338 1 1122 . 1 . 1 101 101 GLN HE22 H 1 7.705 0.030 . 2 . . . . A 101 GLN HE22 . 36338 1 1123 . 1 . 1 101 101 GLN C C 13 179.167 0.300 . 1 . . . . A 101 GLN C . 36338 1 1124 . 1 . 1 101 101 GLN CA C 13 59.582 0.300 . 1 . . . . A 101 GLN CA . 36338 1 1125 . 1 . 1 101 101 GLN CB C 13 28.131 0.300 . 1 . . . . A 101 GLN CB . 36338 1 1126 . 1 . 1 101 101 GLN CG C 13 34.345 0.300 . 1 . . . . A 101 GLN CG . 36338 1 1127 . 1 . 1 101 101 GLN N N 15 117.741 0.300 . 1 . . . . A 101 GLN N . 36338 1 1128 . 1 . 1 101 101 GLN NE2 N 15 110.903 0.300 . 1 . . . . A 101 GLN NE2 . 36338 1 1129 . 1 . 1 102 102 LYS H H 1 7.911 0.030 . 1 . . . . A 102 LYS H . 36338 1 1130 . 1 . 1 102 102 LYS HA H 1 3.965 0.030 . 1 . . . . A 102 LYS HA . 36338 1 1131 . 1 . 1 102 102 LYS HB2 H 1 1.748 0.030 . 1 . . . . A 102 LYS HB2 . 36338 1 1132 . 1 . 1 102 102 LYS HB3 H 1 1.748 0.030 . 1 . . . . A 102 LYS HB3 . 36338 1 1133 . 1 . 1 102 102 LYS C C 13 179.167 0.300 . 1 . . . . A 102 LYS C . 36338 1 1134 . 1 . 1 102 102 LYS CA C 13 59.227 0.300 . 1 . . . . A 102 LYS CA . 36338 1 1135 . 1 . 1 102 102 LYS CB C 13 32.320 0.300 . 1 . . . . A 102 LYS CB . 36338 1 1136 . 1 . 1 102 102 LYS CG C 13 25.531 0.300 . 1 . . . . A 102 LYS CG . 36338 1 1137 . 1 . 1 102 102 LYS N N 15 117.454 0.300 . 1 . . . . A 102 LYS N . 36338 1 1138 . 1 . 1 103 103 LEU H H 1 7.461 0.030 . 1 . . . . A 103 LEU H . 36338 1 1139 . 1 . 1 103 103 LEU HA H 1 3.937 0.030 . 1 . . . . A 103 LEU HA . 36338 1 1140 . 1 . 1 103 103 LEU HB2 H 1 1.182 0.030 . 2 . . . . A 103 LEU HB2 . 36338 1 1141 . 1 . 1 103 103 LEU HB3 H 1 1.483 0.030 . 2 . . . . A 103 LEU HB3 . 36338 1 1142 . 1 . 1 103 103 LEU HG H 1 0.293 0.030 . 1 . . . . A 103 LEU HG . 36338 1 1143 . 1 . 1 103 103 LEU HD11 H 1 0.349 0.030 . 2 . . . . A 103 LEU HD11 . 36338 1 1144 . 1 . 1 103 103 LEU HD12 H 1 0.349 0.030 . 2 . . . . A 103 LEU HD12 . 36338 1 1145 . 1 . 1 103 103 LEU HD13 H 1 0.349 0.030 . 2 . . . . A 103 LEU HD13 . 36338 1 1146 . 1 . 1 103 103 LEU HD21 H 1 -0.091 0.030 . 2 . . . . A 103 LEU HD21 . 36338 1 1147 . 1 . 1 103 103 LEU HD22 H 1 -0.091 0.030 . 2 . . . . A 103 LEU HD22 . 36338 1 1148 . 1 . 1 103 103 LEU HD23 H 1 -0.091 0.030 . 2 . . . . A 103 LEU HD23 . 36338 1 1149 . 1 . 1 103 103 LEU C C 13 178.610 0.300 . 1 . . . . A 103 LEU C . 36338 1 1150 . 1 . 1 103 103 LEU CA C 13 57.762 0.300 . 1 . . . . A 103 LEU CA . 36338 1 1151 . 1 . 1 103 103 LEU CB C 13 41.672 0.300 . 1 . . . . A 103 LEU CB . 36338 1 1152 . 1 . 1 103 103 LEU CG C 13 26.119 0.300 . 1 . . . . A 103 LEU CG . 36338 1 1153 . 1 . 1 103 103 LEU CD1 C 13 23.620 0.300 . 2 . . . . A 103 LEU CD1 . 36338 1 1154 . 1 . 1 103 103 LEU CD2 C 13 26.019 0.300 . 2 . . . . A 103 LEU CD2 . 36338 1 1155 . 1 . 1 103 103 LEU N N 15 121.229 0.300 . 1 . . . . A 103 LEU N . 36338 1 1156 . 1 . 1 104 104 ALA H H 1 7.500 0.030 . 1 . . . . A 104 ALA H . 36338 1 1157 . 1 . 1 104 104 ALA HA H 1 3.711 0.030 . 1 . . . . A 104 ALA HA . 36338 1 1158 . 1 . 1 104 104 ALA HB1 H 1 1.350 0.030 . 1 . . . . A 104 ALA HB1 . 36338 1 1159 . 1 . 1 104 104 ALA HB2 H 1 1.350 0.030 . 1 . . . . A 104 ALA HB2 . 36338 1 1160 . 1 . 1 104 104 ALA HB3 H 1 1.350 0.030 . 1 . . . . A 104 ALA HB3 . 36338 1 1161 . 1 . 1 104 104 ALA C C 13 177.883 0.300 . 1 . . . . A 104 ALA C . 36338 1 1162 . 1 . 1 104 104 ALA CA C 13 54.292 0.300 . 1 . . . . A 104 ALA CA . 36338 1 1163 . 1 . 1 104 104 ALA CB C 13 18.722 0.300 . 1 . . . . A 104 ALA CB . 36338 1 1164 . 1 . 1 104 104 ALA N N 15 117.892 0.300 . 1 . . . . A 104 ALA N . 36338 1 1165 . 1 . 1 105 105 ASN H H 1 7.075 0.030 . 1 . . . . A 105 ASN H . 36338 1 1166 . 1 . 1 105 105 ASN HA H 1 4.853 0.030 . 1 . . . . A 105 ASN HA . 36338 1 1167 . 1 . 1 105 105 ASN HB2 H 1 2.587 0.030 . 2 . . . . A 105 ASN HB2 . 36338 1 1168 . 1 . 1 105 105 ASN HB3 H 1 2.989 0.030 . 2 . . . . A 105 ASN HB3 . 36338 1 1169 . 1 . 1 105 105 ASN C C 13 174.711 0.300 . 1 . . . . A 105 ASN C . 36338 1 1170 . 1 . 1 105 105 ASN CA C 13 52.620 0.300 . 1 . . . . A 105 ASN CA . 36338 1 1171 . 1 . 1 105 105 ASN CB C 13 40.087 0.300 . 1 . . . . A 105 ASN CB . 36338 1 1172 . 1 . 1 105 105 ASN N N 15 111.169 0.300 . 1 . . . . A 105 ASN N . 36338 1 1173 . 1 . 1 106 106 SER H H 1 7.981 0.030 . 1 . . . . A 106 SER H . 36338 1 1174 . 1 . 1 106 106 SER HA H 1 4.312 0.030 . 1 . . . . A 106 SER HA . 36338 1 1175 . 1 . 1 106 106 SER HB2 H 1 4.409 0.030 . 2 . . . . A 106 SER HB2 . 36338 1 1176 . 1 . 1 106 106 SER HB3 H 1 4.312 0.030 . 2 . . . . A 106 SER HB3 . 36338 1 1177 . 1 . 1 106 106 SER C C 13 174.193 0.300 . 1 . . . . A 106 SER C . 36338 1 1178 . 1 . 1 106 106 SER CA C 13 56.656 0.300 . 1 . . . . A 106 SER CA . 36338 1 1179 . 1 . 1 106 106 SER CB C 13 63.806 0.300 . 1 . . . . A 106 SER CB . 36338 1 1180 . 1 . 1 106 106 SER N N 15 119.037 0.300 . 1 . . . . A 106 SER N . 36338 1 1181 . 1 . 1 107 107 PRO HA H 1 4.445 0.030 . 1 . . . . A 107 PRO HA . 36338 1 1182 . 1 . 1 107 107 PRO HB2 H 1 1.999 0.030 . 2 . . . . A 107 PRO HB2 . 36338 1 1183 . 1 . 1 107 107 PRO HB3 H 1 2.421 0.030 . 2 . . . . A 107 PRO HB3 . 36338 1 1184 . 1 . 1 107 107 PRO HG2 H 1 2.139 0.030 . 2 . . . . A 107 PRO HG2 . 36338 1 1185 . 1 . 1 107 107 PRO HG3 H 1 2.175 0.030 . 2 . . . . A 107 PRO HG3 . 36338 1 1186 . 1 . 1 107 107 PRO HD2 H 1 4.029 0.030 . 2 . . . . A 107 PRO HD2 . 36338 1 1187 . 1 . 1 107 107 PRO HD3 H 1 4.160 0.030 . 2 . . . . A 107 PRO HD3 . 36338 1 1188 . 1 . 1 107 107 PRO C C 13 179.647 0.300 . 1 . . . . A 107 PRO C . 36338 1 1189 . 1 . 1 107 107 PRO CA C 13 65.028 0.300 . 1 . . . . A 107 PRO CA . 36338 1 1190 . 1 . 1 107 107 PRO CB C 13 31.896 0.300 . 1 . . . . A 107 PRO CB . 36338 1 1191 . 1 . 1 107 107 PRO CG C 13 27.714 0.300 . 1 . . . . A 107 PRO CG . 36338 1 1192 . 1 . 1 107 107 PRO CD C 13 51.204 0.300 . 1 . . . . A 107 PRO CD . 36338 1 1193 . 1 . 1 108 108 GLN H H 1 8.637 0.030 . 1 . . . . A 108 GLN H . 36338 1 1194 . 1 . 1 108 108 GLN HA H 1 4.065 0.030 . 1 . . . . A 108 GLN HA . 36338 1 1195 . 1 . 1 108 108 GLN HB2 H 1 1.865 0.030 . 1 . . . . A 108 GLN HB2 . 36338 1 1196 . 1 . 1 108 108 GLN HB3 H 1 1.865 0.030 . 1 . . . . A 108 GLN HB3 . 36338 1 1197 . 1 . 1 108 108 GLN HG2 H 1 2.568 0.030 . 2 . . . . A 108 GLN HG2 . 36338 1 1198 . 1 . 1 108 108 GLN HG3 H 1 2.597 0.030 . 2 . . . . A 108 GLN HG3 . 36338 1 1199 . 1 . 1 108 108 GLN HE21 H 1 6.996 0.030 . 1 . . . . A 108 GLN HE21 . 36338 1 1200 . 1 . 1 108 108 GLN HE22 H 1 6.996 0.030 . 1 . . . . A 108 GLN HE22 . 36338 1 1201 . 1 . 1 108 108 GLN C C 13 178.644 0.300 . 1 . . . . A 108 GLN C . 36338 1 1202 . 1 . 1 108 108 GLN CA C 13 60.294 0.300 . 1 . . . . A 108 GLN CA . 36338 1 1203 . 1 . 1 108 108 GLN CB C 13 28.528 0.300 . 1 . . . . A 108 GLN CB . 36338 1 1204 . 1 . 1 108 108 GLN CG C 13 34.769 0.300 . 1 . . . . A 108 GLN CG . 36338 1 1205 . 1 . 1 108 108 GLN N N 15 115.316 0.300 . 1 . . . . A 108 GLN N . 36338 1 1206 . 1 . 1 109 109 TRP H H 1 7.592 0.030 . 1 . . . . A 109 TRP H . 36338 1 1207 . 1 . 1 109 109 TRP HA H 1 4.208 0.030 . 1 . . . . A 109 TRP HA . 36338 1 1208 . 1 . 1 109 109 TRP HB2 H 1 3.029 0.030 . 2 . . . . A 109 TRP HB2 . 36338 1 1209 . 1 . 1 109 109 TRP HB3 H 1 3.479 0.030 . 2 . . . . A 109 TRP HB3 . 36338 1 1210 . 1 . 1 109 109 TRP HD1 H 1 7.039 0.030 . 1 . . . . A 109 TRP HD1 . 36338 1 1211 . 1 . 1 109 109 TRP HE1 H 1 9.327 0.030 . 1 . . . . A 109 TRP HE1 . 36338 1 1212 . 1 . 1 109 109 TRP HE3 H 1 6.464 0.030 . 1 . . . . A 109 TRP HE3 . 36338 1 1213 . 1 . 1 109 109 TRP HZ2 H 1 6.234 0.030 . 1 . . . . A 109 TRP HZ2 . 36338 1 1214 . 1 . 1 109 109 TRP HZ3 H 1 5.807 0.030 . 1 . . . . A 109 TRP HZ3 . 36338 1 1215 . 1 . 1 109 109 TRP C C 13 176.293 0.300 . 1 . . . . A 109 TRP C . 36338 1 1216 . 1 . 1 109 109 TRP CA C 13 60.257 0.300 . 1 . . . . A 109 TRP CA . 36338 1 1217 . 1 . 1 109 109 TRP CB C 13 30.931 0.300 . 1 . . . . A 109 TRP CB . 36338 1 1218 . 1 . 1 109 109 TRP CD1 C 13 127.560 0.300 . 1 . . . . A 109 TRP CD1 . 36338 1 1219 . 1 . 1 109 109 TRP CE3 C 13 120.331 0.300 . 1 . . . . A 109 TRP CE3 . 36338 1 1220 . 1 . 1 109 109 TRP CZ2 C 13 113.192 0.300 . 1 . . . . A 109 TRP CZ2 . 36338 1 1221 . 1 . 1 109 109 TRP CZ3 C 13 123.668 0.300 . 1 . . . . A 109 TRP CZ3 . 36338 1 1222 . 1 . 1 109 109 TRP N N 15 120.446 0.300 . 1 . . . . A 109 TRP N . 36338 1 1223 . 1 . 1 109 109 TRP NE1 N 15 126.411 0.300 . 1 . . . . A 109 TRP NE1 . 36338 1 1224 . 1 . 1 110 110 GLN H H 1 8.081 0.030 . 1 . . . . A 110 GLN H . 36338 1 1225 . 1 . 1 110 110 GLN HA H 1 3.793 0.030 . 1 . . . . A 110 GLN HA . 36338 1 1226 . 1 . 1 110 110 GLN HB2 H 1 2.143 0.030 . 1 . . . . A 110 GLN HB2 . 36338 1 1227 . 1 . 1 110 110 GLN HB3 H 1 2.143 0.030 . 1 . . . . A 110 GLN HB3 . 36338 1 1228 . 1 . 1 110 110 GLN HG2 H 1 2.450 0.030 . 2 . . . . A 110 GLN HG2 . 36338 1 1229 . 1 . 1 110 110 GLN HG3 H 1 2.711 0.030 . 2 . . . . A 110 GLN HG3 . 36338 1 1230 . 1 . 1 110 110 GLN HE21 H 1 6.817 0.030 . 2 . . . . A 110 GLN HE21 . 36338 1 1231 . 1 . 1 110 110 GLN HE22 H 1 7.392 0.030 . 2 . . . . A 110 GLN HE22 . 36338 1 1232 . 1 . 1 110 110 GLN C C 13 179.645 0.300 . 1 . . . . A 110 GLN C . 36338 1 1233 . 1 . 1 110 110 GLN CA C 13 59.626 0.300 . 1 . . . . A 110 GLN CA . 36338 1 1234 . 1 . 1 110 110 GLN CB C 13 28.588 0.300 . 1 . . . . A 110 GLN CB . 36338 1 1235 . 1 . 1 110 110 GLN CG C 13 34.199 0.300 . 1 . . . . A 110 GLN CG . 36338 1 1236 . 1 . 1 110 110 GLN N N 15 114.621 0.300 . 1 . . . . A 110 GLN N . 36338 1 1237 . 1 . 1 110 110 GLN NE2 N 15 110.239 0.300 . 1 . . . . A 110 GLN NE2 . 36338 1 1238 . 1 . 1 111 111 THR H H 1 8.610 0.030 . 1 . . . . A 111 THR H . 36338 1 1239 . 1 . 1 111 111 THR HA H 1 3.909 0.030 . 1 . . . . A 111 THR HA . 36338 1 1240 . 1 . 1 111 111 THR HB H 1 4.160 0.030 . 1 . . . . A 111 THR HB . 36338 1 1241 . 1 . 1 111 111 THR HG21 H 1 1.232 0.030 . 1 . . . . A 111 THR HG21 . 36338 1 1242 . 1 . 1 111 111 THR HG22 H 1 1.232 0.030 . 1 . . . . A 111 THR HG22 . 36338 1 1243 . 1 . 1 111 111 THR HG23 H 1 1.232 0.030 . 1 . . . . A 111 THR HG23 . 36338 1 1244 . 1 . 1 111 111 THR C C 13 175.642 0.300 . 1 . . . . A 111 THR C . 36338 1 1245 . 1 . 1 111 111 THR CA C 13 66.775 0.300 . 1 . . . . A 111 THR CA . 36338 1 1246 . 1 . 1 111 111 THR CB C 13 68.895 0.300 . 1 . . . . A 111 THR CB . 36338 1 1247 . 1 . 1 111 111 THR CG2 C 13 21.575 0.300 . 1 . . . . A 111 THR CG2 . 36338 1 1248 . 1 . 1 111 111 THR N N 15 115.317 0.300 . 1 . . . . A 111 THR N . 36338 1 1249 . 1 . 1 112 112 ALA H H 1 7.392 0.030 . 1 . . . . A 112 ALA H . 36338 1 1250 . 1 . 1 112 112 ALA HA H 1 4.032 0.030 . 1 . . . . A 112 ALA HA . 36338 1 1251 . 1 . 1 112 112 ALA HB1 H 1 1.264 0.030 . 1 . . . . A 112 ALA HB1 . 36338 1 1252 . 1 . 1 112 112 ALA HB2 H 1 1.264 0.030 . 1 . . . . A 112 ALA HB2 . 36338 1 1253 . 1 . 1 112 112 ALA HB3 H 1 1.264 0.030 . 1 . . . . A 112 ALA HB3 . 36338 1 1254 . 1 . 1 112 112 ALA C C 13 180.603 0.300 . 1 . . . . A 112 ALA C . 36338 1 1255 . 1 . 1 112 112 ALA CA C 13 55.145 0.300 . 1 . . . . A 112 ALA CA . 36338 1 1256 . 1 . 1 112 112 ALA CB C 13 18.260 0.300 . 1 . . . . A 112 ALA CB . 36338 1 1257 . 1 . 1 112 112 ALA N N 15 123.601 0.300 . 1 . . . . A 112 ALA N . 36338 1 1258 . 1 . 1 113 113 LEU H H 1 7.564 0.030 . 1 . . . . A 113 LEU H . 36338 1 1259 . 1 . 1 113 113 LEU HA H 1 3.808 0.030 . 1 . . . . A 113 LEU HA . 36338 1 1260 . 1 . 1 113 113 LEU HB2 H 1 1.265 0.030 . 2 . . . . A 113 LEU HB2 . 36338 1 1261 . 1 . 1 113 113 LEU HB3 H 1 1.428 0.030 . 2 . . . . A 113 LEU HB3 . 36338 1 1262 . 1 . 1 113 113 LEU HG H 1 1.256 0.030 . 1 . . . . A 113 LEU HG . 36338 1 1263 . 1 . 1 113 113 LEU HD11 H 1 0.468 0.030 . 2 . . . . A 113 LEU HD11 . 36338 1 1264 . 1 . 1 113 113 LEU HD12 H 1 0.468 0.030 . 2 . . . . A 113 LEU HD12 . 36338 1 1265 . 1 . 1 113 113 LEU HD13 H 1 0.468 0.030 . 2 . . . . A 113 LEU HD13 . 36338 1 1266 . 1 . 1 113 113 LEU HD21 H 1 0.423 0.030 . 2 . . . . A 113 LEU HD21 . 36338 1 1267 . 1 . 1 113 113 LEU HD22 H 1 0.423 0.030 . 2 . . . . A 113 LEU HD22 . 36338 1 1268 . 1 . 1 113 113 LEU HD23 H 1 0.423 0.030 . 2 . . . . A 113 LEU HD23 . 36338 1 1269 . 1 . 1 113 113 LEU C C 13 178.308 0.300 . 1 . . . . A 113 LEU C . 36338 1 1270 . 1 . 1 113 113 LEU CA C 13 57.886 0.300 . 1 . . . . A 113 LEU CA . 36338 1 1271 . 1 . 1 113 113 LEU CB C 13 40.728 0.300 . 1 . . . . A 113 LEU CB . 36338 1 1272 . 1 . 1 113 113 LEU CG C 13 27.125 0.300 . 1 . . . . A 113 LEU CG . 36338 1 1273 . 1 . 1 113 113 LEU CD1 C 13 22.715 0.300 . 2 . . . . A 113 LEU CD1 . 36338 1 1274 . 1 . 1 113 113 LEU CD2 C 13 24.090 0.300 . 2 . . . . A 113 LEU CD2 . 36338 1 1275 . 1 . 1 113 113 LEU N N 15 117.975 0.300 . 1 . . . . A 113 LEU N . 36338 1 1276 . 1 . 1 114 114 GLN H H 1 8.066 0.030 . 1 . . . . A 114 GLN H . 36338 1 1277 . 1 . 1 114 114 GLN HA H 1 3.918 0.030 . 1 . . . . A 114 GLN HA . 36338 1 1278 . 1 . 1 114 114 GLN HB2 H 1 2.163 0.030 . 1 . . . . A 114 GLN HB2 . 36338 1 1279 . 1 . 1 114 114 GLN HB3 H 1 2.163 0.030 . 1 . . . . A 114 GLN HB3 . 36338 1 1280 . 1 . 1 114 114 GLN HG2 H 1 2.420 0.030 . 1 . . . . A 114 GLN HG2 . 36338 1 1281 . 1 . 1 114 114 GLN HG3 H 1 2.420 0.030 . 1 . . . . A 114 GLN HG3 . 36338 1 1282 . 1 . 1 114 114 GLN C C 13 179.525 0.300 . 1 . . . . A 114 GLN C . 36338 1 1283 . 1 . 1 114 114 GLN CA C 13 59.101 0.300 . 1 . . . . A 114 GLN CA . 36338 1 1284 . 1 . 1 114 114 GLN CB C 13 28.334 0.300 . 1 . . . . A 114 GLN CB . 36338 1 1285 . 1 . 1 114 114 GLN CG C 13 34.006 0.300 . 1 . . . . A 114 GLN CG . 36338 1 1286 . 1 . 1 114 114 GLN N N 15 118.403 0.300 . 1 . . . . A 114 GLN N . 36338 1 1287 . 1 . 1 115 115 GLU H H 1 8.429 0.030 . 1 . . . . A 115 GLU H . 36338 1 1288 . 1 . 1 115 115 GLU HA H 1 3.975 0.030 . 1 . . . . A 115 GLU HA . 36338 1 1289 . 1 . 1 115 115 GLU HB2 H 1 2.325 0.030 . 1 . . . . A 115 GLU HB2 . 36338 1 1290 . 1 . 1 115 115 GLU HB3 H 1 2.325 0.030 . 1 . . . . A 115 GLU HB3 . 36338 1 1291 . 1 . 1 115 115 GLU HG2 H 1 2.041 0.030 . 1 . . . . A 115 GLU HG2 . 36338 1 1292 . 1 . 1 115 115 GLU HG3 H 1 2.041 0.030 . 1 . . . . A 115 GLU HG3 . 36338 1 1293 . 1 . 1 115 115 GLU C C 13 178.753 0.300 . 1 . . . . A 115 GLU C . 36338 1 1294 . 1 . 1 115 115 GLU CA C 13 59.244 0.300 . 1 . . . . A 115 GLU CA . 36338 1 1295 . 1 . 1 115 115 GLU CB C 13 29.063 0.300 . 1 . . . . A 115 GLU CB . 36338 1 1296 . 1 . 1 115 115 GLU CG C 13 36.483 0.300 . 1 . . . . A 115 GLU CG . 36338 1 1297 . 1 . 1 115 115 GLU N N 15 119.150 0.300 . 1 . . . . A 115 GLU N . 36338 1 1298 . 1 . 1 116 116 ALA H H 1 7.579 0.030 . 1 . . . . A 116 ALA H . 36338 1 1299 . 1 . 1 116 116 ALA HA H 1 4.119 0.030 . 1 . . . . A 116 ALA HA . 36338 1 1300 . 1 . 1 116 116 ALA HB1 H 1 1.444 0.030 . 1 . . . . A 116 ALA HB1 . 36338 1 1301 . 1 . 1 116 116 ALA HB2 H 1 1.444 0.030 . 1 . . . . A 116 ALA HB2 . 36338 1 1302 . 1 . 1 116 116 ALA HB3 H 1 1.444 0.030 . 1 . . . . A 116 ALA HB3 . 36338 1 1303 . 1 . 1 116 116 ALA C C 13 179.658 0.300 . 1 . . . . A 116 ALA C . 36338 1 1304 . 1 . 1 116 116 ALA CA C 13 55.047 0.300 . 1 . . . . A 116 ALA CA . 36338 1 1305 . 1 . 1 116 116 ALA CB C 13 18.268 0.300 . 1 . . . . A 116 ALA CB . 36338 1 1306 . 1 . 1 116 116 ALA N N 15 122.273 0.300 . 1 . . . . A 116 ALA N . 36338 1 1307 . 1 . 1 117 117 ILE H H 1 7.902 0.030 . 1 . . . . A 117 ILE H . 36338 1 1308 . 1 . 1 117 117 ILE HA H 1 3.519 0.030 . 1 . . . . A 117 ILE HA . 36338 1 1309 . 1 . 1 117 117 ILE HB H 1 1.942 0.030 . 1 . . . . A 117 ILE HB . 36338 1 1310 . 1 . 1 117 117 ILE HG12 H 1 0.944 0.030 . 2 . . . . A 117 ILE HG12 . 36338 1 1311 . 1 . 1 117 117 ILE HG13 H 1 1.795 0.030 . 2 . . . . A 117 ILE HG13 . 36338 1 1312 . 1 . 1 117 117 ILE HG21 H 1 0.862 0.030 . 1 . . . . A 117 ILE HG21 . 36338 1 1313 . 1 . 1 117 117 ILE HG22 H 1 0.862 0.030 . 1 . . . . A 117 ILE HG22 . 36338 1 1314 . 1 . 1 117 117 ILE HG23 H 1 0.862 0.030 . 1 . . . . A 117 ILE HG23 . 36338 1 1315 . 1 . 1 117 117 ILE HD11 H 1 0.855 0.030 . 1 . . . . A 117 ILE HD11 . 36338 1 1316 . 1 . 1 117 117 ILE HD12 H 1 0.855 0.030 . 1 . . . . A 117 ILE HD12 . 36338 1 1317 . 1 . 1 117 117 ILE HD13 H 1 0.855 0.030 . 1 . . . . A 117 ILE HD13 . 36338 1 1318 . 1 . 1 117 117 ILE C C 13 177.643 0.300 . 1 . . . . A 117 ILE C . 36338 1 1319 . 1 . 1 117 117 ILE CA C 13 65.257 0.300 . 1 . . . . A 117 ILE CA . 36338 1 1320 . 1 . 1 117 117 ILE CB C 13 37.790 0.300 . 1 . . . . A 117 ILE CB . 36338 1 1321 . 1 . 1 117 117 ILE CG1 C 13 30.015 0.300 . 1 . . . . A 117 ILE CG1 . 36338 1 1322 . 1 . 1 117 117 ILE CG2 C 13 17.272 0.300 . 1 . . . . A 117 ILE CG2 . 36338 1 1323 . 1 . 1 117 117 ILE CD1 C 13 13.537 0.300 . 1 . . . . A 117 ILE CD1 . 36338 1 1324 . 1 . 1 117 117 ILE N N 15 118.763 0.300 . 1 . . . . A 117 ILE N . 36338 1 1325 . 1 . 1 118 118 LYS H H 1 7.807 0.030 . 1 . . . . A 118 LYS H . 36338 1 1326 . 1 . 1 118 118 LYS HA H 1 3.890 0.030 . 1 . . . . A 118 LYS HA . 36338 1 1327 . 1 . 1 118 118 LYS HB2 H 1 1.890 0.030 . 1 . . . . A 118 LYS HB2 . 36338 1 1328 . 1 . 1 118 118 LYS HB3 H 1 1.890 0.030 . 1 . . . . A 118 LYS HB3 . 36338 1 1329 . 1 . 1 118 118 LYS HG2 H 1 1.563 0.030 . 1 . . . . A 118 LYS HG2 . 36338 1 1330 . 1 . 1 118 118 LYS HG3 H 1 1.563 0.030 . 1 . . . . A 118 LYS HG3 . 36338 1 1331 . 1 . 1 118 118 LYS HD2 H 1 1.390 0.030 . 1 . . . . A 118 LYS HD2 . 36338 1 1332 . 1 . 1 118 118 LYS HD3 H 1 1.390 0.030 . 1 . . . . A 118 LYS HD3 . 36338 1 1333 . 1 . 1 118 118 LYS HE2 H 1 2.916 0.030 . 1 . . . . A 118 LYS HE2 . 36338 1 1334 . 1 . 1 118 118 LYS HE3 H 1 2.916 0.030 . 1 . . . . A 118 LYS HE3 . 36338 1 1335 . 1 . 1 118 118 LYS C C 13 179.424 0.300 . 1 . . . . A 118 LYS C . 36338 1 1336 . 1 . 1 118 118 LYS CA C 13 59.971 0.300 . 1 . . . . A 118 LYS CA . 36338 1 1337 . 1 . 1 118 118 LYS CB C 13 32.417 0.300 . 1 . . . . A 118 LYS CB . 36338 1 1338 . 1 . 1 118 118 LYS CG C 13 25.319 0.300 . 1 . . . . A 118 LYS CG . 36338 1 1339 . 1 . 1 118 118 LYS CD C 13 25.452 0.300 . 1 . . . . A 118 LYS CD . 36338 1 1340 . 1 . 1 118 118 LYS CE C 13 42.022 0.300 . 1 . . . . A 118 LYS CE . 36338 1 1341 . 1 . 1 118 118 LYS N N 15 119.644 0.300 . 1 . . . . A 118 LYS N . 36338 1 1342 . 1 . 1 119 119 LYS H H 1 7.955 0.030 . 1 . . . . A 119 LYS H . 36338 1 1343 . 1 . 1 119 119 LYS HA H 1 4.026 0.030 . 1 . . . . A 119 LYS HA . 36338 1 1344 . 1 . 1 119 119 LYS HB2 H 1 1.879 0.030 . 1 . . . . A 119 LYS HB2 . 36338 1 1345 . 1 . 1 119 119 LYS HB3 H 1 1.879 0.030 . 1 . . . . A 119 LYS HB3 . 36338 1 1346 . 1 . 1 119 119 LYS HG2 H 1 1.436 0.030 . 1 . . . . A 119 LYS HG2 . 36338 1 1347 . 1 . 1 119 119 LYS HG3 H 1 1.436 0.030 . 1 . . . . A 119 LYS HG3 . 36338 1 1348 . 1 . 1 119 119 LYS HD2 H 1 1.683 0.030 . 1 . . . . A 119 LYS HD2 . 36338 1 1349 . 1 . 1 119 119 LYS HD3 H 1 1.683 0.030 . 1 . . . . A 119 LYS HD3 . 36338 1 1350 . 1 . 1 119 119 LYS C C 13 178.904 0.300 . 1 . . . . A 119 LYS C . 36338 1 1351 . 1 . 1 119 119 LYS CA C 13 59.226 0.300 . 1 . . . . A 119 LYS CA . 36338 1 1352 . 1 . 1 119 119 LYS CB C 13 32.574 0.300 . 1 . . . . A 119 LYS CB . 36338 1 1353 . 1 . 1 119 119 LYS CG C 13 25.447 0.300 . 1 . . . . A 119 LYS CG . 36338 1 1354 . 1 . 1 119 119 LYS CD C 13 29.599 0.300 . 1 . . . . A 119 LYS CD . 36338 1 1355 . 1 . 1 119 119 LYS CE C 13 36.379 0.300 . 1 . . . . A 119 LYS CE . 36338 1 1356 . 1 . 1 119 119 LYS N N 15 118.980 0.300 . 1 . . . . A 119 LYS N . 36338 1 1357 . 1 . 1 120 120 ALA H H 1 8.052 0.030 . 1 . . . . A 120 ALA H . 36338 1 1358 . 1 . 1 120 120 ALA HA H 1 4.124 0.030 . 1 . . . . A 120 ALA HA . 36338 1 1359 . 1 . 1 120 120 ALA HB1 H 1 1.466 0.030 . 1 . . . . A 120 ALA HB1 . 36338 1 1360 . 1 . 1 120 120 ALA HB2 H 1 1.466 0.030 . 1 . . . . A 120 ALA HB2 . 36338 1 1361 . 1 . 1 120 120 ALA HB3 H 1 1.466 0.030 . 1 . . . . A 120 ALA HB3 . 36338 1 1362 . 1 . 1 120 120 ALA C C 13 179.538 0.300 . 1 . . . . A 120 ALA C . 36338 1 1363 . 1 . 1 120 120 ALA CA C 13 54.501 0.300 . 1 . . . . A 120 ALA CA . 36338 1 1364 . 1 . 1 120 120 ALA CB C 13 18.284 0.300 . 1 . . . . A 120 ALA CB . 36338 1 1365 . 1 . 1 120 120 ALA N N 15 121.826 0.300 . 1 . . . . A 120 ALA N . 36338 1 1366 . 1 . 1 121 121 ARG H H 1 7.929 0.030 . 1 . . . . A 121 ARG H . 36338 1 1367 . 1 . 1 121 121 ARG HA H 1 4.098 0.030 . 1 . . . . A 121 ARG HA . 36338 1 1368 . 1 . 1 121 121 ARG HB2 H 1 1.900 0.030 . 1 . . . . A 121 ARG HB2 . 36338 1 1369 . 1 . 1 121 121 ARG HB3 H 1 1.900 0.030 . 1 . . . . A 121 ARG HB3 . 36338 1 1370 . 1 . 1 121 121 ARG HD2 H 1 3.105 0.030 . 1 . . . . A 121 ARG HD2 . 36338 1 1371 . 1 . 1 121 121 ARG HD3 H 1 3.105 0.030 . 1 . . . . A 121 ARG HD3 . 36338 1 1372 . 1 . 1 121 121 ARG C C 13 177.625 0.300 . 1 . . . . A 121 ARG C . 36338 1 1373 . 1 . 1 121 121 ARG CA C 13 57.991 0.300 . 1 . . . . A 121 ARG CA . 36338 1 1374 . 1 . 1 121 121 ARG CB C 13 30.599 0.300 . 1 . . . . A 121 ARG CB . 36338 1 1375 . 1 . 1 121 121 ARG CG C 13 27.787 0.300 . 1 . . . . A 121 ARG CG . 36338 1 1376 . 1 . 1 121 121 ARG CD C 13 43.864 0.300 . 1 . . . . A 121 ARG CD . 36338 1 1377 . 1 . 1 121 121 ARG N N 15 116.220 0.300 . 1 . . . . A 121 ARG N . 36338 1 1378 . 1 . 1 122 122 GLN H H 1 7.810 0.030 . 1 . . . . A 122 GLN H . 36338 1 1379 . 1 . 1 122 122 GLN C C 13 176.569 0.300 . 1 . . . . A 122 GLN C . 36338 1 1380 . 1 . 1 122 122 GLN CA C 13 57.388 0.300 . 1 . . . . A 122 GLN CA . 36338 1 1381 . 1 . 1 122 122 GLN CB C 13 28.771 0.300 . 1 . . . . A 122 GLN CB . 36338 1 1382 . 1 . 1 122 122 GLN N N 15 118.958 0.300 . 1 . . . . A 122 GLN N . 36338 1 1383 . 1 . 1 123 123 GLU H H 1 8.010 0.030 . 1 . . . . A 123 GLU H . 36338 1 1384 . 1 . 1 123 123 GLU C C 13 176.768 0.300 . 1 . . . . A 123 GLU C . 36338 1 1385 . 1 . 1 123 123 GLU CA C 13 58.942 0.300 . 1 . . . . A 123 GLU CA . 36338 1 1386 . 1 . 1 123 123 GLU N N 15 120.522 0.300 . 1 . . . . A 123 GLU N . 36338 1 1387 . 1 . 1 124 124 LYS H H 1 8.326 0.030 . 1 . . . . A 124 LYS H . 36338 1 1388 . 1 . 1 124 124 LYS C C 13 177.338 0.300 . 1 . . . . A 124 LYS C . 36338 1 1389 . 1 . 1 124 124 LYS CA C 13 55.632 0.300 . 1 . . . . A 124 LYS CA . 36338 1 1390 . 1 . 1 124 124 LYS N N 15 121.148 0.300 . 1 . . . . A 124 LYS N . 36338 1 1391 . 1 . 1 125 125 LYS H H 1 8.254 0.030 . 1 . . . . A 125 LYS H . 36338 1 1392 . 1 . 1 125 125 LYS C C 13 177.762 0.300 . 1 . . . . A 125 LYS C . 36338 1 1393 . 1 . 1 125 125 LYS CA C 13 60.481 0.300 . 1 . . . . A 125 LYS CA . 36338 1 1394 . 1 . 1 125 125 LYS CB C 13 32.320 0.300 . 1 . . . . A 125 LYS CB . 36338 1 1395 . 1 . 1 125 125 LYS CG C 13 25.616 0.300 . 1 . . . . A 125 LYS CG . 36338 1 1396 . 1 . 1 125 125 LYS N N 15 121.637 0.300 . 1 . . . . A 125 LYS N . 36338 1 1397 . 1 . 1 126 126 GLU H H 1 8.154 0.030 . 1 . . . . A 126 GLU H . 36338 1 1398 . 1 . 1 126 126 GLU C C 13 178.848 0.300 . 1 . . . . A 126 GLU C . 36338 1 1399 . 1 . 1 126 126 GLU CA C 13 59.308 0.300 . 1 . . . . A 126 GLU CA . 36338 1 1400 . 1 . 1 126 126 GLU CB C 13 28.862 0.300 . 1 . . . . A 126 GLU CB . 36338 1 1401 . 1 . 1 126 126 GLU CG C 13 36.338 0.300 . 1 . . . . A 126 GLU CG . 36338 1 1402 . 1 . 1 126 126 GLU N N 15 117.657 0.300 . 1 . . . . A 126 GLU N . 36338 1 1403 . 1 . 1 127 127 LYS H H 1 7.861 0.030 . 1 . . . . A 127 LYS H . 36338 1 1404 . 1 . 1 127 127 LYS C C 13 174.304 0.300 . 1 . . . . A 127 LYS C . 36338 1 1405 . 1 . 1 127 127 LYS CA C 13 59.856 0.300 . 1 . . . . A 127 LYS CA . 36338 1 1406 . 1 . 1 127 127 LYS CB C 13 32.702 0.300 . 1 . . . . A 127 LYS CB . 36338 1 1407 . 1 . 1 127 127 LYS N N 15 120.473 0.300 . 1 . . . . A 127 LYS N . 36338 1 1408 . 1 . 1 128 128 GLY C C 13 174.264 0.300 . 1 . . . . A 128 GLY C . 36338 1 1409 . 1 . 1 128 128 GLY CA C 13 45.869 0.300 . 1 . . . . A 128 GLY CA . 36338 1 1410 . 1 . 1 130 130 LEU HA H 1 4.326 0.030 . 1 . . . . A 130 LEU HA . 36338 1 1411 . 1 . 1 130 130 LEU HB2 H 1 1.556 0.030 . 2 . . . . A 130 LEU HB2 . 36338 1 1412 . 1 . 1 130 130 LEU HB3 H 1 1.587 0.030 . 2 . . . . A 130 LEU HB3 . 36338 1 1413 . 1 . 1 130 130 LEU HD11 H 1 0.890 0.030 . 2 . . . . A 130 LEU HD11 . 36338 1 1414 . 1 . 1 130 130 LEU HD12 H 1 0.890 0.030 . 2 . . . . A 130 LEU HD12 . 36338 1 1415 . 1 . 1 130 130 LEU HD13 H 1 0.890 0.030 . 2 . . . . A 130 LEU HD13 . 36338 1 1416 . 1 . 1 130 130 LEU HD21 H 1 0.827 0.030 . 2 . . . . A 130 LEU HD21 . 36338 1 1417 . 1 . 1 130 130 LEU HD22 H 1 0.827 0.030 . 2 . . . . A 130 LEU HD22 . 36338 1 1418 . 1 . 1 130 130 LEU HD23 H 1 0.827 0.030 . 2 . . . . A 130 LEU HD23 . 36338 1 1419 . 1 . 1 130 130 LEU C C 13 177.429 0.300 . 1 . . . . A 130 LEU C . 36338 1 1420 . 1 . 1 130 130 LEU CA C 13 55.284 0.300 . 1 . . . . A 130 LEU CA . 36338 1 1421 . 1 . 1 130 130 LEU CB C 13 42.214 0.300 . 1 . . . . A 130 LEU CB . 36338 1 1422 . 1 . 1 130 130 LEU CD1 C 13 24.932 0.300 . 2 . . . . A 130 LEU CD1 . 36338 1 1423 . 1 . 1 130 130 LEU CD2 C 13 23.374 0.300 . 2 . . . . A 130 LEU CD2 . 36338 1 1424 . 1 . 1 131 131 GLU H H 1 8.269 0.030 . 1 . . . . A 131 GLU H . 36338 1 1425 . 1 . 1 131 131 GLU C C 13 176.145 0.300 . 1 . . . . A 131 GLU C . 36338 1 1426 . 1 . 1 131 131 GLU CA C 13 57.022 0.300 . 1 . . . . A 131 GLU CA . 36338 1 1427 . 1 . 1 131 131 GLU CB C 13 30.164 0.300 . 1 . . . . A 131 GLU CB . 36338 1 1428 . 1 . 1 131 131 GLU N N 15 120.832 0.300 . 1 . . . . A 131 GLU N . 36338 1 stop_ save_