data_34613 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34613 _Entry.Title ; Solution structure of Boskar4; a de novo designed G-CSF agonist ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-03-19 _Entry.Accession_date 2021-03-19 _Entry.Last_release_date 2021-04-14 _Entry.Original_release_date 2021-04-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 M. ElGamacy M. . . . 34613 2 M. Coles M. . . . 34613 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 34613 'G-CSF agonist' . 34613 'Protein design' . 34613 'four-helix bundle' . 34613 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34613 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 495 34613 '15N chemical shifts' 115 34613 '1H chemical shifts' 791 34613 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-12-28 . original BMRB . 34613 1 . . 2021-10-01 . original BMRB . 34613 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7NY0 'BMRB Entry Tracking System' 34613 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34613 _Citation.ID 1 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 30930065 _Citation.DOI 10.1016/j.str.2019.03.005 _Citation.Full_citation . _Citation.Title ; Mapping Local Conformational Landscapes of Proteins in Solution ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue . _Citation.Journal_ASTM STRUE6 _Citation.Journal_ISSN 0969-2126 _Citation.Journal_CSD 2005 _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 853 _Citation.Page_last 865 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. ElGamacy M. . . . 34613 1 2 M. Riss M. . . . 34613 1 3 H. Zhu H. . . . 34613 1 4 V. Truffaut V. . . . 34613 1 5 M. Coles M. . . . 34613 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 34613 _Citation.ID 2 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35618709 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A topological refactoring design strategy yields highly stable granulopoietic proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2948 _Citation.Page_last 2948 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Julia Skokowa J. . . . 34613 2 2 Birte Alvarez B. H. . . 34613 2 3 Murray Coles M. . . . 34613 2 4 Malte Ritter M. . . . 34613 2 5 Masoud Nasri M. . . . 34613 2 6 Jeremy Haaf J. . . . 34613 2 7 Narges Aghaallaei N. . . . 34613 2 8 Yun Xu Y. . . . 34613 2 9 Perihan Mir P. . . . 34613 2 10 Ann-Christin Krahl A. . . . 34613 2 11 Katherine Rogers K. W. . . 34613 2 12 Kateryna Maksymenko K. . . . 34613 2 13 Baubak Bajoghli B. . . . 34613 2 14 Karl Welte K. . . . 34613 2 15 Andrei Lupas A. N. . . 34613 2 16 Patrick Muller P. . . . 34613 2 17 Mohammad ElGamacy M. . . . 34613 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34613 _Assembly.ID 1 _Assembly.Name Boskar4 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34613 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34613 _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 ; LAAALAEIYKGLAEYQARLK SLEGISPELGPALDALRLDM ADFATTMAQAMEEGLDSLPQ SFLLKALEQIRKIQADAAAL REKLAATYKGNDRAAAAVEI AAQLEAFLEKAYQILRHLAA A ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13014.956 _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 . LEU . 34613 1 2 . ALA . 34613 1 3 . ALA . 34613 1 4 . ALA . 34613 1 5 . LEU . 34613 1 6 . ALA . 34613 1 7 . GLU . 34613 1 8 . ILE . 34613 1 9 . TYR . 34613 1 10 . LYS . 34613 1 11 . GLY . 34613 1 12 . LEU . 34613 1 13 . ALA . 34613 1 14 . GLU . 34613 1 15 . TYR . 34613 1 16 . GLN . 34613 1 17 . ALA . 34613 1 18 . ARG . 34613 1 19 . LEU . 34613 1 20 . LYS . 34613 1 21 . SER . 34613 1 22 . LEU . 34613 1 23 . GLU . 34613 1 24 . GLY . 34613 1 25 . ILE . 34613 1 26 . SER . 34613 1 27 . PRO . 34613 1 28 . GLU . 34613 1 29 . LEU . 34613 1 30 . GLY . 34613 1 31 . PRO . 34613 1 32 . ALA . 34613 1 33 . LEU . 34613 1 34 . ASP . 34613 1 35 . ALA . 34613 1 36 . LEU . 34613 1 37 . ARG . 34613 1 38 . LEU . 34613 1 39 . ASP . 34613 1 40 . MET . 34613 1 41 . ALA . 34613 1 42 . ASP . 34613 1 43 . PHE . 34613 1 44 . ALA . 34613 1 45 . THR . 34613 1 46 . THR . 34613 1 47 . MET . 34613 1 48 . ALA . 34613 1 49 . GLN . 34613 1 50 . ALA . 34613 1 51 . MET . 34613 1 52 . GLU . 34613 1 53 . GLU . 34613 1 54 . GLY . 34613 1 55 . LEU . 34613 1 56 . ASP . 34613 1 57 . SER . 34613 1 58 . LEU . 34613 1 59 . PRO . 34613 1 60 . GLN . 34613 1 61 . SER . 34613 1 62 . PHE . 34613 1 63 . LEU . 34613 1 64 . LEU . 34613 1 65 . LYS . 34613 1 66 . ALA . 34613 1 67 . LEU . 34613 1 68 . GLU . 34613 1 69 . GLN . 34613 1 70 . ILE . 34613 1 71 . ARG . 34613 1 72 . LYS . 34613 1 73 . ILE . 34613 1 74 . GLN . 34613 1 75 . ALA . 34613 1 76 . ASP . 34613 1 77 . ALA . 34613 1 78 . ALA . 34613 1 79 . ALA . 34613 1 80 . LEU . 34613 1 81 . ARG . 34613 1 82 . GLU . 34613 1 83 . LYS . 34613 1 84 . LEU . 34613 1 85 . ALA . 34613 1 86 . ALA . 34613 1 87 . THR . 34613 1 88 . TYR . 34613 1 89 . LYS . 34613 1 90 . GLY . 34613 1 91 . ASN . 34613 1 92 . ASP . 34613 1 93 . ARG . 34613 1 94 . ALA . 34613 1 95 . ALA . 34613 1 96 . ALA . 34613 1 97 . ALA . 34613 1 98 . VAL . 34613 1 99 . GLU . 34613 1 100 . ILE . 34613 1 101 . ALA . 34613 1 102 . ALA . 34613 1 103 . GLN . 34613 1 104 . LEU . 34613 1 105 . GLU . 34613 1 106 . ALA . 34613 1 107 . PHE . 34613 1 108 . LEU . 34613 1 109 . GLU . 34613 1 110 . LYS . 34613 1 111 . ALA . 34613 1 112 . TYR . 34613 1 113 . GLN . 34613 1 114 . ILE . 34613 1 115 . LEU . 34613 1 116 . ARG . 34613 1 117 . HIS . 34613 1 118 . LEU . 34613 1 119 . ALA . 34613 1 120 . ALA . 34613 1 121 . ALA . 34613 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 . LEU 1 1 34613 1 . ALA 2 2 34613 1 . ALA 3 3 34613 1 . ALA 4 4 34613 1 . LEU 5 5 34613 1 . ALA 6 6 34613 1 . GLU 7 7 34613 1 . ILE 8 8 34613 1 . TYR 9 9 34613 1 . LYS 10 10 34613 1 . GLY 11 11 34613 1 . LEU 12 12 34613 1 . ALA 13 13 34613 1 . GLU 14 14 34613 1 . TYR 15 15 34613 1 . GLN 16 16 34613 1 . ALA 17 17 34613 1 . ARG 18 18 34613 1 . LEU 19 19 34613 1 . LYS 20 20 34613 1 . SER 21 21 34613 1 . LEU 22 22 34613 1 . GLU 23 23 34613 1 . GLY 24 24 34613 1 . ILE 25 25 34613 1 . SER 26 26 34613 1 . PRO 27 27 34613 1 . GLU 28 28 34613 1 . LEU 29 29 34613 1 . GLY 30 30 34613 1 . PRO 31 31 34613 1 . ALA 32 32 34613 1 . LEU 33 33 34613 1 . ASP 34 34 34613 1 . ALA 35 35 34613 1 . LEU 36 36 34613 1 . ARG 37 37 34613 1 . LEU 38 38 34613 1 . ASP 39 39 34613 1 . MET 40 40 34613 1 . ALA 41 41 34613 1 . ASP 42 42 34613 1 . PHE 43 43 34613 1 . ALA 44 44 34613 1 . THR 45 45 34613 1 . THR 46 46 34613 1 . MET 47 47 34613 1 . ALA 48 48 34613 1 . GLN 49 49 34613 1 . ALA 50 50 34613 1 . MET 51 51 34613 1 . GLU 52 52 34613 1 . GLU 53 53 34613 1 . GLY 54 54 34613 1 . LEU 55 55 34613 1 . ASP 56 56 34613 1 . SER 57 57 34613 1 . LEU 58 58 34613 1 . PRO 59 59 34613 1 . GLN 60 60 34613 1 . SER 61 61 34613 1 . PHE 62 62 34613 1 . LEU 63 63 34613 1 . LEU 64 64 34613 1 . LYS 65 65 34613 1 . ALA 66 66 34613 1 . LEU 67 67 34613 1 . GLU 68 68 34613 1 . GLN 69 69 34613 1 . ILE 70 70 34613 1 . ARG 71 71 34613 1 . LYS 72 72 34613 1 . ILE 73 73 34613 1 . GLN 74 74 34613 1 . ALA 75 75 34613 1 . ASP 76 76 34613 1 . ALA 77 77 34613 1 . ALA 78 78 34613 1 . ALA 79 79 34613 1 . LEU 80 80 34613 1 . ARG 81 81 34613 1 . GLU 82 82 34613 1 . LYS 83 83 34613 1 . LEU 84 84 34613 1 . ALA 85 85 34613 1 . ALA 86 86 34613 1 . THR 87 87 34613 1 . TYR 88 88 34613 1 . LYS 89 89 34613 1 . GLY 90 90 34613 1 . ASN 91 91 34613 1 . ASP 92 92 34613 1 . ARG 93 93 34613 1 . ALA 94 94 34613 1 . ALA 95 95 34613 1 . ALA 96 96 34613 1 . ALA 97 97 34613 1 . VAL 98 98 34613 1 . GLU 99 99 34613 1 . ILE 100 100 34613 1 . ALA 101 101 34613 1 . ALA 102 102 34613 1 . GLN 103 103 34613 1 . LEU 104 104 34613 1 . GLU 105 105 34613 1 . ALA 106 106 34613 1 . PHE 107 107 34613 1 . LEU 108 108 34613 1 . GLU 109 109 34613 1 . LYS 110 110 34613 1 . ALA 111 111 34613 1 . TYR 112 112 34613 1 . GLN 113 113 34613 1 . ILE 114 114 34613 1 . LEU 115 115 34613 1 . ARG 116 116 34613 1 . HIS 117 117 34613 1 . LEU 118 118 34613 1 . ALA 119 119 34613 1 . ALA 120 120 34613 1 . ALA 121 121 34613 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 34613 _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 . . . . . . . . . . . . . 34613 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 34613 _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 . . . . . . . . . . 34613 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34613 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uM [U-100% 15N] Boskar4, 150 mM sodium phosphate, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Boskar4 '[U-100% 15N]' 1 $assembly 1 $entity_1 . . 500 . . uM . . . . 34613 1 2 'sodium phosphate' 'natural abundance' . . . . . . 150 . . mM . . . . 34613 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34613 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uM [U-100% 13C; U-100% 15N] Boskar4, 150 mM sodium phosphate, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Boskar4 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . . 500 . . uM . . . . 34613 2 2 'sodium phosphate' 'natural abundance' . . . . . . 150 . . mM . . . . 34613 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 34613 _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' 450 . mM 34613 1 pH 7.5 . pH 34613 1 pressure 1 . atm 34613 1 temperature 310 . K 34613 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34613 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34613 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34613 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34613 _Software.ID 2 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34613 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34613 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34613 _Software.ID 3 _Software.Type . _Software.Name CoMAND _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'ElGamacy, Riss, Zhu, Truffault, Murray, Coles' . . 34613 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34613 3 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 34613 _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 34613 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34613 _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 . . . 34613 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 34613 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 34613 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34613 1 2 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34613 1 3 '3D C(CCO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34613 1 4 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34613 1 5 '3D CCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34613 1 6 3D-CNH-NOESY no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34613 1 7 13C-HSQC-NOESY no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34613 1 8 2D-NOESY no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34613 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 34613 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34613 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34613 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34613 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 34613 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 34613 1 2 '3D HNCA' . . . 34613 1 3 '3D C(CCO)NH' . . . 34613 1 4 '3D HNCACB' . . . 34613 1 5 '3D CCH-TOCSY' . . . 34613 1 6 3D-CNH-NOESY . . . 34613 1 7 13C-HSQC-NOESY . . . 34613 1 8 2D-NOESY . . . 34613 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 LEU HA H 1 4.20 0.02 . 1 . . . . A 1 LEU HA . 34613 1 2 . 1 . 1 1 1 LEU HB2 H 1 1.93 0.02 . 1 . . . . A 1 LEU HB2 . 34613 1 3 . 1 . 1 1 1 LEU HB3 H 1 1.80 0.02 . 1 . . . . A 1 LEU HB3 . 34613 1 4 . 1 . 1 1 1 LEU HG H 1 1.82 0.02 . 1 . . . . A 1 LEU HG . 34613 1 5 . 1 . 1 1 1 LEU HD11 H 1 1.03 0.02 . 1 . . . . A 1 LEU HD11 . 34613 1 6 . 1 . 1 1 1 LEU HD12 H 1 1.03 0.02 . 1 . . . . A 1 LEU HD12 . 34613 1 7 . 1 . 1 1 1 LEU HD13 H 1 1.03 0.02 . 1 . . . . A 1 LEU HD13 . 34613 1 8 . 1 . 1 1 1 LEU HD21 H 1 1.02 0.02 . 1 . . . . A 1 LEU HD21 . 34613 1 9 . 1 . 1 1 1 LEU HD22 H 1 1.02 0.02 . 1 . . . . A 1 LEU HD22 . 34613 1 10 . 1 . 1 1 1 LEU HD23 H 1 1.02 0.02 . 1 . . . . A 1 LEU HD23 . 34613 1 11 . 1 . 1 1 1 LEU C C 13 177.94 0.05 . 1 . . . . A 1 LEU C . 34613 1 12 . 1 . 1 1 1 LEU CA C 13 58.03 0.05 . 1 . . . . A 1 LEU CA . 34613 1 13 . 1 . 1 1 1 LEU CB C 13 41.83 0.05 . 1 . . . . A 1 LEU CB . 34613 1 14 . 1 . 1 1 1 LEU CG C 13 27.29 0.05 . 1 . . . . A 1 LEU CG . 34613 1 15 . 1 . 1 1 1 LEU CD1 C 13 25.99 0.05 . 1 . . . . A 1 LEU CD1 . 34613 1 16 . 1 . 1 1 1 LEU CD2 C 13 25.13 0.05 . 1 . . . . A 1 LEU CD2 . 34613 1 17 . 1 . 1 2 2 ALA H H 1 8.37 0.02 . 1 . . . . A 2 ALA H . 34613 1 18 . 1 . 1 2 2 ALA HA H 1 4.23 0.02 . 1 . . . . A 2 ALA HA . 34613 1 19 . 1 . 1 2 2 ALA HB1 H 1 1.62 0.02 . 1 . . . . A 2 ALA HB1 . 34613 1 20 . 1 . 1 2 2 ALA HB2 H 1 1.62 0.02 . 1 . . . . A 2 ALA HB2 . 34613 1 21 . 1 . 1 2 2 ALA HB3 H 1 1.62 0.02 . 1 . . . . A 2 ALA HB3 . 34613 1 22 . 1 . 1 2 2 ALA C C 13 180.36 0.05 . 1 . . . . A 2 ALA C . 34613 1 23 . 1 . 1 2 2 ALA CA C 13 55.68 0.05 . 1 . . . . A 2 ALA CA . 34613 1 24 . 1 . 1 2 2 ALA CB C 13 18.26 0.05 . 1 . . . . A 2 ALA CB . 34613 1 25 . 1 . 1 2 2 ALA N N 15 120.72 0.05 . 1 . . . . A 2 ALA N . 34613 1 26 . 1 . 1 3 3 ALA H H 1 7.92 0.02 . 1 . . . . A 3 ALA H . 34613 1 27 . 1 . 1 3 3 ALA HA H 1 4.37 0.02 . 1 . . . . A 3 ALA HA . 34613 1 28 . 1 . 1 3 3 ALA HB1 H 1 1.62 0.02 . 1 . . . . A 3 ALA HB1 . 34613 1 29 . 1 . 1 3 3 ALA HB2 H 1 1.62 0.02 . 1 . . . . A 3 ALA HB2 . 34613 1 30 . 1 . 1 3 3 ALA HB3 H 1 1.62 0.02 . 1 . . . . A 3 ALA HB3 . 34613 1 31 . 1 . 1 3 3 ALA C C 13 180.34 0.05 . 1 . . . . A 3 ALA C . 34613 1 32 . 1 . 1 3 3 ALA CA C 13 54.82 0.05 . 1 . . . . A 3 ALA CA . 34613 1 33 . 1 . 1 3 3 ALA CB C 13 18.21 0.05 . 1 . . . . A 3 ALA CB . 34613 1 34 . 1 . 1 3 3 ALA N N 15 119.47 0.05 . 1 . . . . A 3 ALA N . 34613 1 35 . 1 . 1 4 4 ALA H H 1 8.06 0.02 . 1 . . . . A 4 ALA H . 34613 1 36 . 1 . 1 4 4 ALA HA H 1 4.24 0.02 . 1 . . . . A 4 ALA HA . 34613 1 37 . 1 . 1 4 4 ALA HB1 H 1 1.61 0.02 . 1 . . . . A 4 ALA HB1 . 34613 1 38 . 1 . 1 4 4 ALA HB2 H 1 1.61 0.02 . 1 . . . . A 4 ALA HB2 . 34613 1 39 . 1 . 1 4 4 ALA HB3 H 1 1.61 0.02 . 1 . . . . A 4 ALA HB3 . 34613 1 40 . 1 . 1 4 4 ALA C C 13 180.39 0.05 . 1 . . . . A 4 ALA C . 34613 1 41 . 1 . 1 4 4 ALA CA C 13 55.10 0.05 . 1 . . . . A 4 ALA CA . 34613 1 42 . 1 . 1 4 4 ALA CB C 13 18.64 0.05 . 1 . . . . A 4 ALA CB . 34613 1 43 . 1 . 1 4 4 ALA N N 15 121.54 0.05 . 1 . . . . A 4 ALA N . 34613 1 44 . 1 . 1 5 5 LEU H H 1 8.60 0.02 . 1 . . . . A 5 LEU H . 34613 1 45 . 1 . 1 5 5 LEU HA H 1 4.17 0.02 . 1 . . . . A 5 LEU HA . 34613 1 46 . 1 . 1 5 5 LEU HB2 H 1 2.06 0.02 . 1 . . . . A 5 LEU HB2 . 34613 1 47 . 1 . 1 5 5 LEU HB3 H 1 1.64 0.02 . 1 . . . . A 5 LEU HB3 . 34613 1 48 . 1 . 1 5 5 LEU HG H 1 2.11 0.02 . 1 . . . . A 5 LEU HG . 34613 1 49 . 1 . 1 5 5 LEU HD11 H 1 0.96 0.02 . 1 . . . . A 5 LEU HD11 . 34613 1 50 . 1 . 1 5 5 LEU HD12 H 1 0.96 0.02 . 1 . . . . A 5 LEU HD12 . 34613 1 51 . 1 . 1 5 5 LEU HD13 H 1 0.96 0.02 . 1 . . . . A 5 LEU HD13 . 34613 1 52 . 1 . 1 5 5 LEU HD21 H 1 0.98 0.02 . 1 . . . . A 5 LEU HD21 . 34613 1 53 . 1 . 1 5 5 LEU HD22 H 1 0.98 0.02 . 1 . . . . A 5 LEU HD22 . 34613 1 54 . 1 . 1 5 5 LEU HD23 H 1 0.98 0.02 . 1 . . . . A 5 LEU HD23 . 34613 1 55 . 1 . 1 5 5 LEU C C 13 181.68 0.05 . 1 . . . . A 5 LEU C . 34613 1 56 . 1 . 1 5 5 LEU CA C 13 58.24 0.05 . 1 . . . . A 5 LEU CA . 34613 1 57 . 1 . 1 5 5 LEU CB C 13 41.12 0.05 . 1 . . . . A 5 LEU CB . 34613 1 58 . 1 . 1 5 5 LEU CG C 13 27.00 0.05 . 1 . . . . A 5 LEU CG . 34613 1 59 . 1 . 1 5 5 LEU CD1 C 13 25.91 0.05 . 1 . . . . A 5 LEU CD1 . 34613 1 60 . 1 . 1 5 5 LEU CD2 C 13 22.98 0.05 . 1 . . . . A 5 LEU CD2 . 34613 1 61 . 1 . 1 5 5 LEU N N 15 116.84 0.05 . 1 . . . . A 5 LEU N . 34613 1 62 . 1 . 1 6 6 ALA H H 1 8.04 0.02 . 1 . . . . A 6 ALA H . 34613 1 63 . 1 . 1 6 6 ALA HA H 1 4.04 0.02 . 1 . . . . A 6 ALA HA . 34613 1 64 . 1 . 1 6 6 ALA HB1 H 1 1.71 0.02 . 1 . . . . A 6 ALA HB1 . 34613 1 65 . 1 . 1 6 6 ALA HB2 H 1 1.71 0.02 . 1 . . . . A 6 ALA HB2 . 34613 1 66 . 1 . 1 6 6 ALA HB3 H 1 1.71 0.02 . 1 . . . . A 6 ALA HB3 . 34613 1 67 . 1 . 1 6 6 ALA C C 13 180.58 0.05 . 1 . . . . A 6 ALA C . 34613 1 68 . 1 . 1 6 6 ALA CA C 13 55.65 0.05 . 1 . . . . A 6 ALA CA . 34613 1 69 . 1 . 1 6 6 ALA CB C 13 18.15 0.05 . 1 . . . . A 6 ALA CB . 34613 1 70 . 1 . 1 6 6 ALA N N 15 120.31 0.05 . 1 . . . . A 6 ALA N . 34613 1 71 . 1 . 1 7 7 GLU H H 1 7.94 0.02 . 1 . . . . A 7 GLU H . 34613 1 72 . 1 . 1 7 7 GLU HA H 1 4.16 0.02 . 1 . . . . A 7 GLU HA . 34613 1 73 . 1 . 1 7 7 GLU HB2 H 1 2.25 0.02 . 1 . . . . A 7 GLU HB2 . 34613 1 74 . 1 . 1 7 7 GLU HB3 H 1 1.86 0.02 . 1 . . . . A 7 GLU HB3 . 34613 1 75 . 1 . 1 7 7 GLU HG2 H 1 2.56 0.02 . 1 . . . . A 7 GLU HG2 . 34613 1 76 . 1 . 1 7 7 GLU HG3 H 1 2.36 0.02 . 1 . . . . A 7 GLU HG3 . 34613 1 77 . 1 . 1 7 7 GLU C C 13 180.26 0.05 . 1 . . . . A 7 GLU C . 34613 1 78 . 1 . 1 7 7 GLU CA C 13 59.51 0.05 . 1 . . . . A 7 GLU CA . 34613 1 79 . 1 . 1 7 7 GLU CB C 13 29.75 0.05 . 1 . . . . A 7 GLU CB . 34613 1 80 . 1 . 1 7 7 GLU CG C 13 36.25 0.05 . 1 . . . . A 7 GLU CG . 34613 1 81 . 1 . 1 7 7 GLU N N 15 118.57 0.05 . 1 . . . . A 7 GLU N . 34613 1 82 . 1 . 1 8 8 ILE H H 1 8.42 0.02 . 1 . . . . A 8 ILE H . 34613 1 83 . 1 . 1 8 8 ILE HA H 1 4.16 0.02 . 1 . . . . A 8 ILE HA . 34613 1 84 . 1 . 1 8 8 ILE HB H 1 2.05 0.02 . 1 . . . . A 8 ILE HB . 34613 1 85 . 1 . 1 8 8 ILE C C 13 177.55 0.05 . 1 . . . . A 8 ILE C . 34613 1 86 . 1 . 1 8 8 ILE CA C 13 65.58 0.05 . 1 . . . . A 8 ILE CA . 34613 1 87 . 1 . 1 8 8 ILE CB C 13 38.14 0.05 . 1 . . . . A 8 ILE CB . 34613 1 88 . 1 . 1 8 8 ILE N N 15 121.43 0.05 . 1 . . . . A 8 ILE N . 34613 1 89 . 1 . 1 9 9 TYR H H 1 8.97 0.02 . 1 . . . . A 9 TYR H . 34613 1 90 . 1 . 1 9 9 TYR HA H 1 4.13 0.02 . 1 . . . . A 9 TYR HA . 34613 1 91 . 1 . 1 9 9 TYR HB2 H 1 3.30 0.02 . 1 . . . . A 9 TYR HB2 . 34613 1 92 . 1 . 1 9 9 TYR HB3 H 1 3.24 0.02 . 1 . . . . A 9 TYR HB3 . 34613 1 93 . 1 . 1 9 9 TYR HD1 H 1 7.17 0.02 . 1 . . . . A 9 TYR HD1 . 34613 1 94 . 1 . 1 9 9 TYR HD2 H 1 7.17 0.02 . 1 . . . . A 9 TYR HD2 . 34613 1 95 . 1 . 1 9 9 TYR HE1 H 1 7.02 0.02 . 1 . . . . A 9 TYR HE1 . 34613 1 96 . 1 . 1 9 9 TYR HE2 H 1 7.02 0.02 . 1 . . . . A 9 TYR HE2 . 34613 1 97 . 1 . 1 9 9 TYR C C 13 177.55 0.05 . 1 . . . . A 9 TYR C . 34613 1 98 . 1 . 1 9 9 TYR CA C 13 62.71 0.05 . 1 . . . . A 9 TYR CA . 34613 1 99 . 1 . 1 9 9 TYR CB C 13 39.06 0.05 . 1 . . . . A 9 TYR CB . 34613 1 100 . 1 . 1 9 9 TYR CD1 C 13 133.06 0.05 . 1 . . . . A 9 TYR CD1 . 34613 1 101 . 1 . 1 9 9 TYR CD2 C 13 133.06 0.05 . 1 . . . . A 9 TYR CD2 . 34613 1 102 . 1 . 1 9 9 TYR CE1 C 13 117.36 0.05 . 1 . . . . A 9 TYR CE1 . 34613 1 103 . 1 . 1 9 9 TYR CE2 C 13 117.36 0.05 . 1 . . . . A 9 TYR CE2 . 34613 1 104 . 1 . 1 9 9 TYR N N 15 120.94 0.05 . 1 . . . . A 9 TYR N . 34613 1 105 . 1 . 1 10 10 LYS H H 1 8.32 0.02 . 1 . . . . A 10 LYS H . 34613 1 106 . 1 . 1 10 10 LYS HA H 1 4.09 0.02 . 1 . . . . A 10 LYS HA . 34613 1 107 . 1 . 1 10 10 LYS HB2 H 1 2.11 0.02 . 1 . . . . A 10 LYS HB2 . 34613 1 108 . 1 . 1 10 10 LYS HB3 H 1 2.06 0.02 . 1 . . . . A 10 LYS HB3 . 34613 1 109 . 1 . 1 10 10 LYS HG2 H 1 1.60 0.02 . 1 . . . . A 10 LYS HG2 . 34613 1 110 . 1 . 1 10 10 LYS HG3 H 1 1.50 0.02 . 1 . . . . A 10 LYS HG3 . 34613 1 111 . 1 . 1 10 10 LYS HD2 H 1 1.83 0.02 . 1 . . . . A 10 LYS HD2 . 34613 1 112 . 1 . 1 10 10 LYS HD3 H 1 1.83 0.02 . 1 . . . . A 10 LYS HD3 . 34613 1 113 . 1 . 1 10 10 LYS HE2 H 1 3.14 0.02 . 1 . . . . A 10 LYS HE2 . 34613 1 114 . 1 . 1 10 10 LYS HE3 H 1 3.14 0.02 . 1 . . . . A 10 LYS HE3 . 34613 1 115 . 1 . 1 10 10 LYS C C 13 179.63 0.05 . 1 . . . . A 10 LYS C . 34613 1 116 . 1 . 1 10 10 LYS CA C 13 59.63 0.05 . 1 . . . . A 10 LYS CA . 34613 1 117 . 1 . 1 10 10 LYS CB C 13 32.66 0.05 . 1 . . . . A 10 LYS CB . 34613 1 118 . 1 . 1 10 10 LYS CG C 13 25.07 0.05 . 1 . . . . A 10 LYS CG . 34613 1 119 . 1 . 1 10 10 LYS CD C 13 29.58 0.05 . 1 . . . . A 10 LYS CD . 34613 1 120 . 1 . 1 10 10 LYS CE C 13 42.19 0.05 . 1 . . . . A 10 LYS CE . 34613 1 121 . 1 . 1 10 10 LYS N N 15 118.53 0.05 . 1 . . . . A 10 LYS N . 34613 1 122 . 1 . 1 11 11 GLY H H 1 8.22 0.02 . 1 . . . . A 11 GLY H . 34613 1 123 . 1 . 1 11 11 GLY HA2 H 1 3.90 0.02 . 1 . . . . A 11 GLY HA2 . 34613 1 124 . 1 . 1 11 11 GLY HA3 H 1 3.76 0.02 . 1 . . . . A 11 GLY HA3 . 34613 1 125 . 1 . 1 11 11 GLY C C 13 175.75 0.05 . 1 . . . . A 11 GLY C . 34613 1 126 . 1 . 1 11 11 GLY CA C 13 47.17 0.05 . 1 . . . . A 11 GLY CA . 34613 1 127 . 1 . 1 11 11 GLY N N 15 107.00 0.05 . 1 . . . . A 11 GLY N . 34613 1 128 . 1 . 1 12 12 LEU H H 1 8.75 0.02 . 1 . . . . A 12 LEU H . 34613 1 129 . 1 . 1 12 12 LEU HA H 1 4.15 0.02 . 1 . . . . A 12 LEU HA . 34613 1 130 . 1 . 1 12 12 LEU HB2 H 1 1.96 0.02 . 1 . . . . A 12 LEU HB2 . 34613 1 131 . 1 . 1 12 12 LEU HB3 H 1 1.80 0.02 . 1 . . . . A 12 LEU HB3 . 34613 1 132 . 1 . 1 12 12 LEU HG H 1 2.10 0.02 . 1 . . . . A 12 LEU HG . 34613 1 133 . 1 . 1 12 12 LEU HD11 H 1 1.13 0.02 . 1 . . . . A 12 LEU HD11 . 34613 1 134 . 1 . 1 12 12 LEU HD12 H 1 1.13 0.02 . 1 . . . . A 12 LEU HD12 . 34613 1 135 . 1 . 1 12 12 LEU HD13 H 1 1.13 0.02 . 1 . . . . A 12 LEU HD13 . 34613 1 136 . 1 . 1 12 12 LEU HD21 H 1 1.19 0.02 . 1 . . . . A 12 LEU HD21 . 34613 1 137 . 1 . 1 12 12 LEU HD22 H 1 1.19 0.02 . 1 . . . . A 12 LEU HD22 . 34613 1 138 . 1 . 1 12 12 LEU HD23 H 1 1.19 0.02 . 1 . . . . A 12 LEU HD23 . 34613 1 139 . 1 . 1 12 12 LEU C C 13 179.08 0.05 . 1 . . . . A 12 LEU C . 34613 1 140 . 1 . 1 12 12 LEU CA C 13 58.42 0.05 . 1 . . . . A 12 LEU CA . 34613 1 141 . 1 . 1 12 12 LEU CB C 13 42.06 0.05 . 1 . . . . A 12 LEU CB . 34613 1 142 . 1 . 1 12 12 LEU CG C 13 26.91 0.05 . 1 . . . . A 12 LEU CG . 34613 1 143 . 1 . 1 12 12 LEU CD1 C 13 26.12 0.05 . 1 . . . . A 12 LEU CD1 . 34613 1 144 . 1 . 1 12 12 LEU CD2 C 13 24.29 0.05 . 1 . . . . A 12 LEU CD2 . 34613 1 145 . 1 . 1 12 12 LEU N N 15 122.23 0.05 . 1 . . . . A 12 LEU N . 34613 1 146 . 1 . 1 13 13 ALA H H 1 7.94 0.02 . 1 . . . . A 13 ALA H . 34613 1 147 . 1 . 1 13 13 ALA HA H 1 4.23 0.02 . 1 . . . . A 13 ALA HA . 34613 1 148 . 1 . 1 13 13 ALA HB1 H 1 1.46 0.02 . 1 . . . . A 13 ALA HB1 . 34613 1 149 . 1 . 1 13 13 ALA HB2 H 1 1.46 0.02 . 1 . . . . A 13 ALA HB2 . 34613 1 150 . 1 . 1 13 13 ALA HB3 H 1 1.46 0.02 . 1 . . . . A 13 ALA HB3 . 34613 1 151 . 1 . 1 13 13 ALA C C 13 181.12 0.05 . 1 . . . . A 13 ALA C . 34613 1 152 . 1 . 1 13 13 ALA CA C 13 55.28 0.05 . 1 . . . . A 13 ALA CA . 34613 1 153 . 1 . 1 13 13 ALA CB C 13 17.67 0.05 . 1 . . . . A 13 ALA CB . 34613 1 154 . 1 . 1 13 13 ALA N N 15 121.35 0.05 . 1 . . . . A 13 ALA N . 34613 1 155 . 1 . 1 14 14 GLU H H 1 7.79 0.02 . 1 . . . . A 14 GLU H . 34613 1 156 . 1 . 1 14 14 GLU HA H 1 4.15 0.02 . 1 . . . . A 14 GLU HA . 34613 1 157 . 1 . 1 14 14 GLU HB2 H 1 2.25 0.02 . 1 . . . . A 14 GLU HB2 . 34613 1 158 . 1 . 1 14 14 GLU HB3 H 1 1.86 0.02 . 1 . . . . A 14 GLU HB3 . 34613 1 159 . 1 . 1 14 14 GLU HG2 H 1 2.27 0.02 . 1 . . . . A 14 GLU HG2 . 34613 1 160 . 1 . 1 14 14 GLU HG3 H 1 2.02 0.02 . 1 . . . . A 14 GLU HG3 . 34613 1 161 . 1 . 1 14 14 GLU C C 13 179.69 0.05 . 1 . . . . A 14 GLU C . 34613 1 162 . 1 . 1 14 14 GLU CA C 13 59.23 0.05 . 1 . . . . A 14 GLU CA . 34613 1 163 . 1 . 1 14 14 GLU CB C 13 29.12 0.05 . 1 . . . . A 14 GLU CB . 34613 1 164 . 1 . 1 14 14 GLU CG C 13 35.94 0.05 . 1 . . . . A 14 GLU CG . 34613 1 165 . 1 . 1 14 14 GLU N N 15 119.70 0.05 . 1 . . . . A 14 GLU N . 34613 1 166 . 1 . 1 15 15 TYR H H 1 8.28 0.02 . 1 . . . . A 15 TYR H . 34613 1 167 . 1 . 1 15 15 TYR HA H 1 4.08 0.02 . 1 . . . . A 15 TYR HA . 34613 1 168 . 1 . 1 15 15 TYR HB2 H 1 2.92 0.02 . 1 . . . . A 15 TYR HB2 . 34613 1 169 . 1 . 1 15 15 TYR HB3 H 1 2.92 0.02 . 1 . . . . A 15 TYR HB3 . 34613 1 170 . 1 . 1 15 15 TYR HD1 H 1 6.88 0.02 . 1 . . . . A 15 TYR HD1 . 34613 1 171 . 1 . 1 15 15 TYR HD2 H 1 6.88 0.02 . 1 . . . . A 15 TYR HD2 . 34613 1 172 . 1 . 1 15 15 TYR HE1 H 1 6.54 0.02 . 1 . . . . A 15 TYR HE1 . 34613 1 173 . 1 . 1 15 15 TYR HE2 H 1 6.54 0.02 . 1 . . . . A 15 TYR HE2 . 34613 1 174 . 1 . 1 15 15 TYR C C 13 178.39 0.05 . 1 . . . . A 15 TYR C . 34613 1 175 . 1 . 1 15 15 TYR CA C 13 64.28 0.05 . 1 . . . . A 15 TYR CA . 34613 1 176 . 1 . 1 15 15 TYR CB C 13 38.79 0.05 . 1 . . . . A 15 TYR CB . 34613 1 177 . 1 . 1 15 15 TYR CD1 C 13 132.61 0.05 . 1 . . . . A 15 TYR CD1 . 34613 1 178 . 1 . 1 15 15 TYR CD2 C 13 132.61 0.05 . 1 . . . . A 15 TYR CD2 . 34613 1 179 . 1 . 1 15 15 TYR CE1 C 13 118.67 0.05 . 1 . . . . A 15 TYR CE1 . 34613 1 180 . 1 . 1 15 15 TYR CE2 C 13 118.67 0.05 . 1 . . . . A 15 TYR CE2 . 34613 1 181 . 1 . 1 15 15 TYR N N 15 117.13 0.05 . 1 . . . . A 15 TYR N . 34613 1 182 . 1 . 1 16 16 GLN H H 1 8.65 0.02 . 1 . . . . A 16 GLN H . 34613 1 183 . 1 . 1 16 16 GLN HA H 1 4.09 0.02 . 1 . . . . A 16 GLN HA . 34613 1 184 . 1 . 1 16 16 GLN HB2 H 1 2.40 0.02 . 1 . . . . A 16 GLN HB2 . 34613 1 185 . 1 . 1 16 16 GLN HB3 H 1 2.29 0.02 . 1 . . . . A 16 GLN HB3 . 34613 1 186 . 1 . 1 16 16 GLN HG2 H 1 2.67 0.02 . 1 . . . . A 16 GLN HG2 . 34613 1 187 . 1 . 1 16 16 GLN HG3 H 1 2.46 0.02 . 1 . . . . A 16 GLN HG3 . 34613 1 188 . 1 . 1 16 16 GLN HE21 H 1 7.23 0.02 . 1 . . . . A 16 GLN HE21 . 34613 1 189 . 1 . 1 16 16 GLN HE22 H 1 6.88 0.02 . 1 . . . . A 16 GLN HE22 . 34613 1 190 . 1 . 1 16 16 GLN C C 13 178.43 0.05 . 1 . . . . A 16 GLN C . 34613 1 191 . 1 . 1 16 16 GLN CA C 13 60.46 0.05 . 1 . . . . A 16 GLN CA . 34613 1 192 . 1 . 1 16 16 GLN CB C 13 29.49 0.05 . 1 . . . . A 16 GLN CB . 34613 1 193 . 1 . 1 16 16 GLN CG C 13 34.97 0.05 . 1 . . . . A 16 GLN CG . 34613 1 194 . 1 . 1 16 16 GLN N N 15 119.61 0.05 . 1 . . . . A 16 GLN N . 34613 1 195 . 1 . 1 16 16 GLN NE2 N 15 108.50 0.05 . 1 . . . . A 16 GLN NE2 . 34613 1 196 . 1 . 1 17 17 ALA H H 1 7.53 0.02 . 1 . . . . A 17 ALA H . 34613 1 197 . 1 . 1 17 17 ALA HA H 1 4.33 0.02 . 1 . . . . A 17 ALA HA . 34613 1 198 . 1 . 1 17 17 ALA HB1 H 1 1.59 0.02 . 1 . . . . A 17 ALA HB1 . 34613 1 199 . 1 . 1 17 17 ALA HB2 H 1 1.59 0.02 . 1 . . . . A 17 ALA HB2 . 34613 1 200 . 1 . 1 17 17 ALA HB3 H 1 1.59 0.02 . 1 . . . . A 17 ALA HB3 . 34613 1 201 . 1 . 1 17 17 ALA C C 13 180.94 0.05 . 1 . . . . A 17 ALA C . 34613 1 202 . 1 . 1 17 17 ALA CA C 13 55.13 0.05 . 1 . . . . A 17 ALA CA . 34613 1 203 . 1 . 1 17 17 ALA CB C 13 17.99 0.05 . 1 . . . . A 17 ALA CB . 34613 1 204 . 1 . 1 17 17 ALA N N 15 120.60 0.05 . 1 . . . . A 17 ALA N . 34613 1 205 . 1 . 1 18 18 ARG H H 1 8.11 0.02 . 1 . . . . A 18 ARG H . 34613 1 206 . 1 . 1 18 18 ARG HA H 1 4.25 0.02 . 1 . . . . A 18 ARG HA . 34613 1 207 . 1 . 1 18 18 ARG HB2 H 1 2.01 0.02 . 1 . . . . A 18 ARG HB2 . 34613 1 208 . 1 . 1 18 18 ARG HB3 H 1 1.93 0.02 . 1 . . . . A 18 ARG HB3 . 34613 1 209 . 1 . 1 18 18 ARG HG2 H 1 1.98 0.02 . 1 . . . . A 18 ARG HG2 . 34613 1 210 . 1 . 1 18 18 ARG HG3 H 1 1.80 0.02 . 1 . . . . A 18 ARG HG3 . 34613 1 211 . 1 . 1 18 18 ARG HD2 H 1 3.03 0.02 . 1 . . . . A 18 ARG HD2 . 34613 1 212 . 1 . 1 18 18 ARG HD3 H 1 3.03 0.02 . 1 . . . . A 18 ARG HD3 . 34613 1 213 . 1 . 1 18 18 ARG C C 13 179.44 0.05 . 1 . . . . A 18 ARG C . 34613 1 214 . 1 . 1 18 18 ARG CA C 13 59.08 0.05 . 1 . . . . A 18 ARG CA . 34613 1 215 . 1 . 1 18 18 ARG CB C 13 30.82 0.05 . 1 . . . . A 18 ARG CB . 34613 1 216 . 1 . 1 18 18 ARG CG C 13 27.28 0.05 . 1 . . . . A 18 ARG CG . 34613 1 217 . 1 . 1 18 18 ARG CD C 13 43.75 0.05 . 1 . . . . A 18 ARG CD . 34613 1 218 . 1 . 1 18 18 ARG N N 15 118.25 0.05 . 1 . . . . A 18 ARG N . 34613 1 219 . 1 . 1 19 19 LEU H H 1 8.39 0.02 . 1 . . . . A 19 LEU H . 34613 1 220 . 1 . 1 19 19 LEU HA H 1 4.19 0.02 . 1 . . . . A 19 LEU HA . 34613 1 221 . 1 . 1 19 19 LEU HB2 H 1 1.93 0.02 . 1 . . . . A 19 LEU HB2 . 34613 1 222 . 1 . 1 19 19 LEU HB3 H 1 1.61 0.02 . 1 . . . . A 19 LEU HB3 . 34613 1 223 . 1 . 1 19 19 LEU HG H 1 2.12 0.02 . 1 . . . . A 19 LEU HG . 34613 1 224 . 1 . 1 19 19 LEU HD11 H 1 0.98 0.02 . 1 . . . . A 19 LEU HD11 . 34613 1 225 . 1 . 1 19 19 LEU HD12 H 1 0.98 0.02 . 1 . . . . A 19 LEU HD12 . 34613 1 226 . 1 . 1 19 19 LEU HD13 H 1 0.98 0.02 . 1 . . . . A 19 LEU HD13 . 34613 1 227 . 1 . 1 19 19 LEU HD21 H 1 0.93 0.02 . 1 . . . . A 19 LEU HD21 . 34613 1 228 . 1 . 1 19 19 LEU HD22 H 1 0.93 0.02 . 1 . . . . A 19 LEU HD22 . 34613 1 229 . 1 . 1 19 19 LEU HD23 H 1 0.93 0.02 . 1 . . . . A 19 LEU HD23 . 34613 1 230 . 1 . 1 19 19 LEU C C 13 178.97 0.05 . 1 . . . . A 19 LEU C . 34613 1 231 . 1 . 1 19 19 LEU CA C 13 57.64 0.05 . 1 . . . . A 19 LEU CA . 34613 1 232 . 1 . 1 19 19 LEU CB C 13 41.93 0.05 . 1 . . . . A 19 LEU CB . 34613 1 233 . 1 . 1 19 19 LEU CG C 13 27.39 0.05 . 1 . . . . A 19 LEU CG . 34613 1 234 . 1 . 1 19 19 LEU CD1 C 13 26.35 0.05 . 1 . . . . A 19 LEU CD1 . 34613 1 235 . 1 . 1 19 19 LEU CD2 C 13 22.83 0.05 . 1 . . . . A 19 LEU CD2 . 34613 1 236 . 1 . 1 19 19 LEU N N 15 118.50 0.05 . 1 . . . . A 19 LEU N . 34613 1 237 . 1 . 1 20 20 LYS H H 1 7.78 0.02 . 1 . . . . A 20 LYS H . 34613 1 238 . 1 . 1 20 20 LYS HA H 1 4.18 0.02 . 1 . . . . A 20 LYS HA . 34613 1 239 . 1 . 1 20 20 LYS HB2 H 1 2.07 0.02 . 1 . . . . A 20 LYS HB2 . 34613 1 240 . 1 . 1 20 20 LYS HB3 H 1 2.07 0.02 . 1 . . . . A 20 LYS HB3 . 34613 1 241 . 1 . 1 20 20 LYS HG2 H 1 1.62 0.02 . 1 . . . . A 20 LYS HG2 . 34613 1 242 . 1 . 1 20 20 LYS HG3 H 1 1.62 0.02 . 1 . . . . A 20 LYS HG3 . 34613 1 243 . 1 . 1 20 20 LYS HD2 H 1 1.84 0.02 . 1 . . . . A 20 LYS HD2 . 34613 1 244 . 1 . 1 20 20 LYS HD3 H 1 1.84 0.02 . 1 . . . . A 20 LYS HD3 . 34613 1 245 . 1 . 1 20 20 LYS HE2 H 1 3.13 0.02 . 1 . . . . A 20 LYS HE2 . 34613 1 246 . 1 . 1 20 20 LYS HE3 H 1 3.13 0.02 . 1 . . . . A 20 LYS HE3 . 34613 1 247 . 1 . 1 20 20 LYS C C 13 178.64 0.05 . 1 . . . . A 20 LYS C . 34613 1 248 . 1 . 1 20 20 LYS CA C 13 59.10 0.05 . 1 . . . . A 20 LYS CA . 34613 1 249 . 1 . 1 20 20 LYS CB C 13 32.17 0.05 . 1 . . . . A 20 LYS CB . 34613 1 250 . 1 . 1 20 20 LYS CG C 13 25.02 0.05 . 1 . . . . A 20 LYS CG . 34613 1 251 . 1 . 1 20 20 LYS CD C 13 29.07 0.05 . 1 . . . . A 20 LYS CD . 34613 1 252 . 1 . 1 20 20 LYS CE C 13 42.18 0.05 . 1 . . . . A 20 LYS CE . 34613 1 253 . 1 . 1 20 20 LYS N N 15 119.35 0.05 . 1 . . . . A 20 LYS N . 34613 1 254 . 1 . 1 21 21 SER H H 1 7.74 0.02 . 1 . . . . A 21 SER H . 34613 1 255 . 1 . 1 21 21 SER HA H 1 4.49 0.02 . 1 . . . . A 21 SER HA . 34613 1 256 . 1 . 1 21 21 SER HB2 H 1 4.13 0.02 . 1 . . . . A 21 SER HB2 . 34613 1 257 . 1 . 1 21 21 SER HB3 H 1 4.13 0.02 . 1 . . . . A 21 SER HB3 . 34613 1 258 . 1 . 1 21 21 SER C C 13 174.76 0.05 . 1 . . . . A 21 SER C . 34613 1 259 . 1 . 1 21 21 SER CA C 13 60.39 0.05 . 1 . . . . A 21 SER CA . 34613 1 260 . 1 . 1 21 21 SER CB C 13 63.56 0.05 . 1 . . . . A 21 SER CB . 34613 1 261 . 1 . 1 21 21 SER N N 15 113.01 0.05 . 1 . . . . A 21 SER N . 34613 1 262 . 1 . 1 22 22 LEU H H 1 7.61 0.02 . 1 . . . . A 22 LEU H . 34613 1 263 . 1 . 1 22 22 LEU HA H 1 4.38 0.02 . 1 . . . . A 22 LEU HA . 34613 1 264 . 1 . 1 22 22 LEU HB2 H 1 2.04 0.02 . 1 . . . . A 22 LEU HB2 . 34613 1 265 . 1 . 1 22 22 LEU HB3 H 1 1.78 0.02 . 1 . . . . A 22 LEU HB3 . 34613 1 266 . 1 . 1 22 22 LEU HG H 1 1.94 0.02 . 1 . . . . A 22 LEU HG . 34613 1 267 . 1 . 1 22 22 LEU HD11 H 1 1.04 0.02 . 1 . . . . A 22 LEU HD11 . 34613 1 268 . 1 . 1 22 22 LEU HD12 H 1 1.04 0.02 . 1 . . . . A 22 LEU HD12 . 34613 1 269 . 1 . 1 22 22 LEU HD13 H 1 1.04 0.02 . 1 . . . . A 22 LEU HD13 . 34613 1 270 . 1 . 1 22 22 LEU HD21 H 1 1.06 0.02 . 1 . . . . A 22 LEU HD21 . 34613 1 271 . 1 . 1 22 22 LEU HD22 H 1 1.06 0.02 . 1 . . . . A 22 LEU HD22 . 34613 1 272 . 1 . 1 22 22 LEU HD23 H 1 1.06 0.02 . 1 . . . . A 22 LEU HD23 . 34613 1 273 . 1 . 1 22 22 LEU C C 13 176.64 0.05 . 1 . . . . A 22 LEU C . 34613 1 274 . 1 . 1 22 22 LEU CA C 13 55.79 0.05 . 1 . . . . A 22 LEU CA . 34613 1 275 . 1 . 1 22 22 LEU CB C 13 42.01 0.05 . 1 . . . . A 22 LEU CB . 34613 1 276 . 1 . 1 22 22 LEU CG C 13 27.81 0.05 . 1 . . . . A 22 LEU CG . 34613 1 277 . 1 . 1 22 22 LEU CD1 C 13 25.45 0.05 . 1 . . . . A 22 LEU CD1 . 34613 1 278 . 1 . 1 22 22 LEU CD2 C 13 24.10 0.05 . 1 . . . . A 22 LEU CD2 . 34613 1 279 . 1 . 1 22 22 LEU N N 15 121.26 0.05 . 1 . . . . A 22 LEU N . 34613 1 280 . 1 . 1 23 23 GLU H H 1 7.71 0.02 . 1 . . . . A 23 GLU H . 34613 1 281 . 1 . 1 23 23 GLU HA H 1 4.13 0.02 . 1 . . . . A 23 GLU HA . 34613 1 282 . 1 . 1 23 23 GLU HB2 H 1 2.16 0.02 . 1 . . . . A 23 GLU HB2 . 34613 1 283 . 1 . 1 23 23 GLU HB3 H 1 2.09 0.02 . 1 . . . . A 23 GLU HB3 . 34613 1 284 . 1 . 1 23 23 GLU HG2 H 1 2.48 0.02 . 1 . . . . A 23 GLU HG2 . 34613 1 285 . 1 . 1 23 23 GLU HG3 H 1 2.38 0.02 . 1 . . . . A 23 GLU HG3 . 34613 1 286 . 1 . 1 23 23 GLU CA C 13 57.74 0.05 . 1 . . . . A 23 GLU CA . 34613 1 287 . 1 . 1 23 23 GLU CB C 13 30.33 0.05 . 1 . . . . A 23 GLU CB . 34613 1 288 . 1 . 1 23 23 GLU CG C 13 36.61 0.05 . 1 . . . . A 23 GLU CG . 34613 1 289 . 1 . 1 23 23 GLU N N 15 119.37 0.05 . 1 . . . . A 23 GLU N . 34613 1 290 . 1 . 1 24 24 GLY HA2 H 1 4.11 0.02 . 1 . . . . A 24 GLY HA2 . 34613 1 291 . 1 . 1 24 24 GLY HA3 H 1 3.94 0.02 . 1 . . . . A 24 GLY HA3 . 34613 1 292 . 1 . 1 24 24 GLY C C 13 175.12 0.05 . 1 . . . . A 24 GLY C . 34613 1 293 . 1 . 1 24 24 GLY CA C 13 45.96 0.05 . 1 . . . . A 24 GLY CA . 34613 1 294 . 1 . 1 25 25 ILE H H 1 7.85 0.02 . 1 . . . . A 25 ILE H . 34613 1 295 . 1 . 1 25 25 ILE HA H 1 4.06 0.02 . 1 . . . . A 25 ILE HA . 34613 1 296 . 1 . 1 25 25 ILE HB H 1 1.98 0.02 . 1 . . . . A 25 ILE HB . 34613 1 297 . 1 . 1 25 25 ILE C C 13 175.89 0.05 . 1 . . . . A 25 ILE C . 34613 1 298 . 1 . 1 25 25 ILE CA C 13 63.15 0.05 . 1 . . . . A 25 ILE CA . 34613 1 299 . 1 . 1 25 25 ILE CB C 13 38.03 0.05 . 1 . . . . A 25 ILE CB . 34613 1 300 . 1 . 1 25 25 ILE N N 15 119.42 0.05 . 1 . . . . A 25 ILE N . 34613 1 301 . 1 . 1 26 26 SER H H 1 7.77 0.02 . 1 . . . . A 26 SER H . 34613 1 302 . 1 . 1 26 26 SER HA H 1 5.00 0.02 . 1 . . . . A 26 SER HA . 34613 1 303 . 1 . 1 26 26 SER HB2 H 1 4.16 0.02 . 1 . . . . A 26 SER HB2 . 34613 1 304 . 1 . 1 26 26 SER HB3 H 1 3.77 0.02 . 1 . . . . A 26 SER HB3 . 34613 1 305 . 1 . 1 26 26 SER CA C 13 56.01 0.05 . 1 . . . . A 26 SER CA . 34613 1 306 . 1 . 1 26 26 SER CB C 13 64.63 0.05 . 1 . . . . A 26 SER CB . 34613 1 307 . 1 . 1 26 26 SER N N 15 114.21 0.05 . 1 . . . . A 26 SER N . 34613 1 308 . 1 . 1 27 27 PRO HA H 1 4.58 0.02 . 1 . . . . A 27 PRO HA . 34613 1 309 . 1 . 1 27 27 PRO HB2 H 1 2.57 0.02 . 1 . . . . A 27 PRO HB2 . 34613 1 310 . 1 . 1 27 27 PRO HB3 H 1 2.15 0.02 . 1 . . . . A 27 PRO HB3 . 34613 1 311 . 1 . 1 27 27 PRO HG2 H 1 2.57 0.02 . 1 . . . . A 27 PRO HG2 . 34613 1 312 . 1 . 1 27 27 PRO HG3 H 1 2.21 0.02 . 1 . . . . A 27 PRO HG3 . 34613 1 313 . 1 . 1 27 27 PRO HD2 H 1 4.07 0.02 . 1 . . . . A 27 PRO HD2 . 34613 1 314 . 1 . 1 27 27 PRO HD3 H 1 3.95 0.02 . 1 . . . . A 27 PRO HD3 . 34613 1 315 . 1 . 1 27 27 PRO CA C 13 64.89 0.05 . 1 . . . . A 27 PRO CA . 34613 1 316 . 1 . 1 27 27 PRO CB C 13 31.97 0.05 . 1 . . . . A 27 PRO CB . 34613 1 317 . 1 . 1 27 27 PRO CG C 13 27.50 0.05 . 1 . . . . A 27 PRO CG . 34613 1 318 . 1 . 1 27 27 PRO CD C 13 51.35 0.05 . 1 . . . . A 27 PRO CD . 34613 1 319 . 1 . 1 28 28 GLU C C 13 177.69 0.05 . 1 . . . . A 28 GLU C . 34613 1 320 . 1 . 1 28 28 GLU CA C 13 58.59 0.05 . 1 . . . . A 28 GLU CA . 34613 1 321 . 1 . 1 28 28 GLU CB C 13 29.04 0.05 . 1 . . . . A 28 GLU CB . 34613 1 322 . 1 . 1 28 28 GLU CG C 13 36.44 0.05 . 1 . . . . A 28 GLU CG . 34613 1 323 . 1 . 1 29 29 LEU H H 1 7.71 0.02 . 1 . . . . A 29 LEU H . 34613 1 324 . 1 . 1 29 29 LEU HA H 1 4.46 0.02 . 1 . . . . A 29 LEU HA . 34613 1 325 . 1 . 1 29 29 LEU HB2 H 1 1.94 0.02 . 1 . . . . A 29 LEU HB2 . 34613 1 326 . 1 . 1 29 29 LEU HB3 H 1 1.71 0.02 . 1 . . . . A 29 LEU HB3 . 34613 1 327 . 1 . 1 29 29 LEU HG H 1 1.80 0.02 . 1 . . . . A 29 LEU HG . 34613 1 328 . 1 . 1 29 29 LEU HD11 H 1 0.90 0.02 . 1 . . . . A 29 LEU HD11 . 34613 1 329 . 1 . 1 29 29 LEU HD12 H 1 0.90 0.02 . 1 . . . . A 29 LEU HD12 . 34613 1 330 . 1 . 1 29 29 LEU HD13 H 1 0.90 0.02 . 1 . . . . A 29 LEU HD13 . 34613 1 331 . 1 . 1 29 29 LEU HD21 H 1 1.01 0.02 . 1 . . . . A 29 LEU HD21 . 34613 1 332 . 1 . 1 29 29 LEU HD22 H 1 1.01 0.02 . 1 . . . . A 29 LEU HD22 . 34613 1 333 . 1 . 1 29 29 LEU HD23 H 1 1.01 0.02 . 1 . . . . A 29 LEU HD23 . 34613 1 334 . 1 . 1 29 29 LEU C C 13 176.94 0.05 . 1 . . . . A 29 LEU C . 34613 1 335 . 1 . 1 29 29 LEU CA C 13 55.06 0.05 . 1 . . . . A 29 LEU CA . 34613 1 336 . 1 . 1 29 29 LEU CB C 13 42.55 0.05 . 1 . . . . A 29 LEU CB . 34613 1 337 . 1 . 1 29 29 LEU CG C 13 27.44 0.05 . 1 . . . . A 29 LEU CG . 34613 1 338 . 1 . 1 29 29 LEU CD1 C 13 23.64 0.05 . 1 . . . . A 29 LEU CD1 . 34613 1 339 . 1 . 1 29 29 LEU CD2 C 13 25.68 0.05 . 1 . . . . A 29 LEU CD2 . 34613 1 340 . 1 . 1 29 29 LEU N N 15 118.35 0.05 . 1 . . . . A 29 LEU N . 34613 1 341 . 1 . 1 30 30 GLY H H 1 7.84 0.02 . 1 . . . . A 30 GLY H . 34613 1 342 . 1 . 1 30 30 GLY HA2 H 1 4.31 0.02 . 1 . . . . A 30 GLY HA2 . 34613 1 343 . 1 . 1 30 30 GLY HA3 H 1 3.94 0.02 . 1 . . . . A 30 GLY HA3 . 34613 1 344 . 1 . 1 30 30 GLY CA C 13 49.10 0.05 . 1 . . . . A 30 GLY CA . 34613 1 345 . 1 . 1 30 30 GLY N N 15 106.18 0.05 . 1 . . . . A 30 GLY N . 34613 1 346 . 1 . 1 31 31 PRO HA H 1 4.48 0.02 . 1 . . . . A 31 PRO HA . 34613 1 347 . 1 . 1 31 31 PRO HB2 H 1 2.53 0.02 . 1 . . . . A 31 PRO HB2 . 34613 1 348 . 1 . 1 31 31 PRO HB3 H 1 2.05 0.02 . 1 . . . . A 31 PRO HB3 . 34613 1 349 . 1 . 1 31 31 PRO HG2 H 1 2.26 0.02 . 1 . . . . A 31 PRO HG2 . 34613 1 350 . 1 . 1 31 31 PRO HG3 H 1 2.10 0.02 . 1 . . . . A 31 PRO HG3 . 34613 1 351 . 1 . 1 31 31 PRO HD2 H 1 3.78 0.02 . 1 . . . . A 31 PRO HD2 . 34613 1 352 . 1 . 1 31 31 PRO HD3 H 1 3.78 0.02 . 1 . . . . A 31 PRO HD3 . 34613 1 353 . 1 . 1 31 31 PRO CA C 13 65.77 0.05 . 1 . . . . A 31 PRO CA . 34613 1 354 . 1 . 1 31 31 PRO CB C 13 31.81 0.05 . 1 . . . . A 31 PRO CB . 34613 1 355 . 1 . 1 31 31 PRO CG C 13 27.98 0.05 . 1 . . . . A 31 PRO CG . 34613 1 356 . 1 . 1 31 31 PRO CD C 13 50.86 0.05 . 1 . . . . A 31 PRO CD . 34613 1 357 . 1 . 1 32 32 ALA H H 1 7.76 0.02 . 1 . . . . A 32 ALA H . 34613 1 358 . 1 . 1 32 32 ALA HA H 1 4.31 0.02 . 1 . . . . A 32 ALA HA . 34613 1 359 . 1 . 1 32 32 ALA HB1 H 1 1.62 0.02 . 1 . . . . A 32 ALA HB1 . 34613 1 360 . 1 . 1 32 32 ALA HB2 H 1 1.62 0.02 . 1 . . . . A 32 ALA HB2 . 34613 1 361 . 1 . 1 32 32 ALA HB3 H 1 1.62 0.02 . 1 . . . . A 32 ALA HB3 . 34613 1 362 . 1 . 1 32 32 ALA C C 13 180.69 0.05 . 1 . . . . A 32 ALA C . 34613 1 363 . 1 . 1 32 32 ALA CA C 13 54.69 0.05 . 1 . . . . A 32 ALA CA . 34613 1 364 . 1 . 1 32 32 ALA CB C 13 18.27 0.05 . 1 . . . . A 32 ALA CB . 34613 1 365 . 1 . 1 32 32 ALA N N 15 120.27 0.05 . 1 . . . . A 32 ALA N . 34613 1 366 . 1 . 1 33 33 LEU H H 1 8.32 0.02 . 1 . . . . A 33 LEU H . 34613 1 367 . 1 . 1 33 33 LEU HA H 1 4.21 0.02 . 1 . . . . A 33 LEU HA . 34613 1 368 . 1 . 1 33 33 LEU HB2 H 1 1.93 0.02 . 1 . . . . A 33 LEU HB2 . 34613 1 369 . 1 . 1 33 33 LEU HB3 H 1 1.80 0.02 . 1 . . . . A 33 LEU HB3 . 34613 1 370 . 1 . 1 33 33 LEU HD11 H 1 1.02 0.02 . 1 . . . . A 33 LEU HD11 . 34613 1 371 . 1 . 1 33 33 LEU HD12 H 1 1.02 0.02 . 1 . . . . A 33 LEU HD12 . 34613 1 372 . 1 . 1 33 33 LEU HD13 H 1 1.02 0.02 . 1 . . . . A 33 LEU HD13 . 34613 1 373 . 1 . 1 33 33 LEU HD21 H 1 1.03 0.02 . 1 . . . . A 33 LEU HD21 . 34613 1 374 . 1 . 1 33 33 LEU HD22 H 1 1.03 0.02 . 1 . . . . A 33 LEU HD22 . 34613 1 375 . 1 . 1 33 33 LEU HD23 H 1 1.03 0.02 . 1 . . . . A 33 LEU HD23 . 34613 1 376 . 1 . 1 33 33 LEU C C 13 178.62 0.05 . 1 . . . . A 33 LEU C . 34613 1 377 . 1 . 1 33 33 LEU CA C 13 57.85 0.05 . 1 . . . . A 33 LEU CA . 34613 1 378 . 1 . 1 33 33 LEU CB C 13 41.94 0.05 . 1 . . . . A 33 LEU CB . 34613 1 379 . 1 . 1 33 33 LEU CG C 13 27.32 0.05 . 1 . . . . A 33 LEU CG . 34613 1 380 . 1 . 1 33 33 LEU CD1 C 13 23.98 0.05 . 1 . . . . A 33 LEU CD1 . 34613 1 381 . 1 . 1 33 33 LEU CD2 C 13 25.27 0.05 . 1 . . . . A 33 LEU CD2 . 34613 1 382 . 1 . 1 33 33 LEU N N 15 120.52 0.05 . 1 . . . . A 33 LEU N . 34613 1 383 . 1 . 1 34 34 ASP H H 1 8.77 0.02 . 1 . . . . A 34 ASP H . 34613 1 384 . 1 . 1 34 34 ASP HA H 1 4.48 0.02 . 1 . . . . A 34 ASP HA . 34613 1 385 . 1 . 1 34 34 ASP HB2 H 1 3.02 0.02 . 1 . . . . A 34 ASP HB2 . 34613 1 386 . 1 . 1 34 34 ASP HB3 H 1 2.87 0.02 . 1 . . . . A 34 ASP HB3 . 34613 1 387 . 1 . 1 34 34 ASP C C 13 178.35 0.05 . 1 . . . . A 34 ASP C . 34613 1 388 . 1 . 1 34 34 ASP CA C 13 57.80 0.05 . 1 . . . . A 34 ASP CA . 34613 1 389 . 1 . 1 34 34 ASP CB C 13 40.60 0.05 . 1 . . . . A 34 ASP CB . 34613 1 390 . 1 . 1 34 34 ASP N N 15 120.27 0.05 . 1 . . . . A 34 ASP N . 34613 1 391 . 1 . 1 35 35 ALA H H 1 7.95 0.02 . 1 . . . . A 35 ALA H . 34613 1 392 . 1 . 1 35 35 ALA HA H 1 4.28 0.02 . 1 . . . . A 35 ALA HA . 34613 1 393 . 1 . 1 35 35 ALA HB1 H 1 1.62 0.02 . 1 . . . . A 35 ALA HB1 . 34613 1 394 . 1 . 1 35 35 ALA HB2 H 1 1.62 0.02 . 1 . . . . A 35 ALA HB2 . 34613 1 395 . 1 . 1 35 35 ALA HB3 H 1 1.62 0.02 . 1 . . . . A 35 ALA HB3 . 34613 1 396 . 1 . 1 35 35 ALA C C 13 179.22 0.05 . 1 . . . . A 35 ALA C . 34613 1 397 . 1 . 1 35 35 ALA CA C 13 55.31 0.05 . 1 . . . . A 35 ALA CA . 34613 1 398 . 1 . 1 35 35 ALA CB C 13 18.00 0.05 . 1 . . . . A 35 ALA CB . 34613 1 399 . 1 . 1 35 35 ALA N N 15 121.19 0.05 . 1 . . . . A 35 ALA N . 34613 1 400 . 1 . 1 36 36 LEU H H 1 7.58 0.02 . 1 . . . . A 36 LEU H . 34613 1 401 . 1 . 1 36 36 LEU HA H 1 4.46 0.02 . 1 . . . . A 36 LEU HA . 34613 1 402 . 1 . 1 36 36 LEU HB2 H 1 1.92 0.02 . 1 . . . . A 36 LEU HB2 . 34613 1 403 . 1 . 1 36 36 LEU HB3 H 1 1.78 0.02 . 1 . . . . A 36 LEU HB3 . 34613 1 404 . 1 . 1 36 36 LEU HG H 1 1.91 0.02 . 1 . . . . A 36 LEU HG . 34613 1 405 . 1 . 1 36 36 LEU HD11 H 1 0.98 0.02 . 1 . . . . A 36 LEU HD11 . 34613 1 406 . 1 . 1 36 36 LEU HD12 H 1 0.98 0.02 . 1 . . . . A 36 LEU HD12 . 34613 1 407 . 1 . 1 36 36 LEU HD13 H 1 0.98 0.02 . 1 . . . . A 36 LEU HD13 . 34613 1 408 . 1 . 1 36 36 LEU HD21 H 1 1.11 0.02 . 1 . . . . A 36 LEU HD21 . 34613 1 409 . 1 . 1 36 36 LEU HD22 H 1 1.11 0.02 . 1 . . . . A 36 LEU HD22 . 34613 1 410 . 1 . 1 36 36 LEU HD23 H 1 1.11 0.02 . 1 . . . . A 36 LEU HD23 . 34613 1 411 . 1 . 1 36 36 LEU C C 13 178.78 0.05 . 1 . . . . A 36 LEU C . 34613 1 412 . 1 . 1 36 36 LEU CA C 13 58.02 0.05 . 1 . . . . A 36 LEU CA . 34613 1 413 . 1 . 1 36 36 LEU CB C 13 42.70 0.05 . 1 . . . . A 36 LEU CB . 34613 1 414 . 1 . 1 36 36 LEU CG C 13 27.26 0.05 . 1 . . . . A 36 LEU CG . 34613 1 415 . 1 . 1 36 36 LEU CD1 C 13 26.96 0.05 . 1 . . . . A 36 LEU CD1 . 34613 1 416 . 1 . 1 36 36 LEU CD2 C 13 25.30 0.05 . 1 . . . . A 36 LEU CD2 . 34613 1 417 . 1 . 1 36 36 LEU N N 15 118.11 0.05 . 1 . . . . A 36 LEU N . 34613 1 418 . 1 . 1 37 37 ARG H H 1 8.51 0.02 . 1 . . . . A 37 ARG H . 34613 1 419 . 1 . 1 37 37 ARG HA H 1 4.07 0.02 . 1 . . . . A 37 ARG HA . 34613 1 420 . 1 . 1 37 37 ARG HB2 H 1 2.16 0.02 . 1 . . . . A 37 ARG HB2 . 34613 1 421 . 1 . 1 37 37 ARG HB3 H 1 2.16 0.02 . 1 . . . . A 37 ARG HB3 . 34613 1 422 . 1 . 1 37 37 ARG HG2 H 1 2.03 0.02 . 1 . . . . A 37 ARG HG2 . 34613 1 423 . 1 . 1 37 37 ARG HG3 H 1 1.72 0.02 . 1 . . . . A 37 ARG HG3 . 34613 1 424 . 1 . 1 37 37 ARG HD2 H 1 3.36 0.02 . 1 . . . . A 37 ARG HD2 . 34613 1 425 . 1 . 1 37 37 ARG HD3 H 1 3.36 0.02 . 1 . . . . A 37 ARG HD3 . 34613 1 426 . 1 . 1 37 37 ARG C C 13 179.64 0.05 . 1 . . . . A 37 ARG C . 34613 1 427 . 1 . 1 37 37 ARG CA C 13 60.58 0.05 . 1 . . . . A 37 ARG CA . 34613 1 428 . 1 . 1 37 37 ARG CB C 13 30.28 0.05 . 1 . . . . A 37 ARG CB . 34613 1 429 . 1 . 1 37 37 ARG CG C 13 28.61 0.05 . 1 . . . . A 37 ARG CG . 34613 1 430 . 1 . 1 37 37 ARG CD C 13 43.02 0.05 . 1 . . . . A 37 ARG CD . 34613 1 431 . 1 . 1 37 37 ARG N N 15 118.02 0.05 . 1 . . . . A 37 ARG N . 34613 1 432 . 1 . 1 38 38 LEU H H 1 8.41 0.02 . 1 . . . . A 38 LEU H . 34613 1 433 . 1 . 1 38 38 LEU HA H 1 4.26 0.02 . 1 . . . . A 38 LEU HA . 34613 1 434 . 1 . 1 38 38 LEU HB2 H 1 1.97 0.02 . 1 . . . . A 38 LEU HB2 . 34613 1 435 . 1 . 1 38 38 LEU HB3 H 1 1.81 0.02 . 1 . . . . A 38 LEU HB3 . 34613 1 436 . 1 . 1 38 38 LEU HG H 1 1.71 0.02 . 1 . . . . A 38 LEU HG . 34613 1 437 . 1 . 1 38 38 LEU HD11 H 1 0.95 0.02 . 1 . . . . A 38 LEU HD11 . 34613 1 438 . 1 . 1 38 38 LEU HD12 H 1 0.95 0.02 . 1 . . . . A 38 LEU HD12 . 34613 1 439 . 1 . 1 38 38 LEU HD13 H 1 0.95 0.02 . 1 . . . . A 38 LEU HD13 . 34613 1 440 . 1 . 1 38 38 LEU HD21 H 1 1.04 0.02 . 1 . . . . A 38 LEU HD21 . 34613 1 441 . 1 . 1 38 38 LEU HD22 H 1 1.04 0.02 . 1 . . . . A 38 LEU HD22 . 34613 1 442 . 1 . 1 38 38 LEU HD23 H 1 1.04 0.02 . 1 . . . . A 38 LEU HD23 . 34613 1 443 . 1 . 1 38 38 LEU C C 13 179.59 0.05 . 1 . . . . A 38 LEU C . 34613 1 444 . 1 . 1 38 38 LEU CA C 13 58.31 0.05 . 1 . . . . A 38 LEU CA . 34613 1 445 . 1 . 1 38 38 LEU CB C 13 41.62 0.05 . 1 . . . . A 38 LEU CB . 34613 1 446 . 1 . 1 38 38 LEU CG C 13 27.15 0.05 . 1 . . . . A 38 LEU CG . 34613 1 447 . 1 . 1 38 38 LEU CD1 C 13 23.67 0.05 . 1 . . . . A 38 LEU CD1 . 34613 1 448 . 1 . 1 38 38 LEU CD2 C 13 24.86 0.05 . 1 . . . . A 38 LEU CD2 . 34613 1 449 . 1 . 1 38 38 LEU N N 15 121.51 0.05 . 1 . . . . A 38 LEU N . 34613 1 450 . 1 . 1 39 39 ASP H H 1 8.55 0.02 . 1 . . . . A 39 ASP H . 34613 1 451 . 1 . 1 39 39 ASP HA H 1 4.72 0.02 . 1 . . . . A 39 ASP HA . 34613 1 452 . 1 . 1 39 39 ASP HB2 H 1 3.03 0.02 . 1 . . . . A 39 ASP HB2 . 34613 1 453 . 1 . 1 39 39 ASP HB3 H 1 2.67 0.02 . 1 . . . . A 39 ASP HB3 . 34613 1 454 . 1 . 1 39 39 ASP C C 13 180.65 0.05 . 1 . . . . A 39 ASP C . 34613 1 455 . 1 . 1 39 39 ASP CA C 13 57.69 0.05 . 1 . . . . A 39 ASP CA . 34613 1 456 . 1 . 1 39 39 ASP CB C 13 39.57 0.05 . 1 . . . . A 39 ASP CB . 34613 1 457 . 1 . 1 39 39 ASP N N 15 120.54 0.05 . 1 . . . . A 39 ASP N . 34613 1 458 . 1 . 1 40 40 MET H H 1 8.82 0.02 . 1 . . . . A 40 MET H . 34613 1 459 . 1 . 1 40 40 MET HA H 1 4.27 0.02 . 1 . . . . A 40 MET HA . 34613 1 460 . 1 . 1 40 40 MET HB2 H 1 2.68 0.02 . 1 . . . . A 40 MET HB2 . 34613 1 461 . 1 . 1 40 40 MET HB3 H 1 2.27 0.02 . 1 . . . . A 40 MET HB3 . 34613 1 462 . 1 . 1 40 40 MET HG2 H 1 3.04 0.02 . 1 . . . . A 40 MET HG2 . 34613 1 463 . 1 . 1 40 40 MET HG3 H 1 2.49 0.02 . 1 . . . . A 40 MET HG3 . 34613 1 464 . 1 . 1 40 40 MET HE1 H 1 2.14 0.02 . 1 . . . . A 40 MET HE1 . 34613 1 465 . 1 . 1 40 40 MET HE2 H 1 2.14 0.02 . 1 . . . . A 40 MET HE2 . 34613 1 466 . 1 . 1 40 40 MET HE3 H 1 2.14 0.02 . 1 . . . . A 40 MET HE3 . 34613 1 467 . 1 . 1 40 40 MET C C 13 177.61 0.05 . 1 . . . . A 40 MET C . 34613 1 468 . 1 . 1 40 40 MET CA C 13 60.42 0.05 . 1 . . . . A 40 MET CA . 34613 1 469 . 1 . 1 40 40 MET CB C 13 33.94 0.05 . 1 . . . . A 40 MET CB . 34613 1 470 . 1 . 1 40 40 MET CG C 13 33.89 0.05 . 1 . . . . A 40 MET CG . 34613 1 471 . 1 . 1 40 40 MET CE C 13 17.81 0.05 . 1 . . . . A 40 MET CE . 34613 1 472 . 1 . 1 40 40 MET N N 15 120.09 0.05 . 1 . . . . A 40 MET N . 34613 1 473 . 1 . 1 41 41 ALA H H 1 8.31 0.02 . 1 . . . . A 41 ALA H . 34613 1 474 . 1 . 1 41 41 ALA HA H 1 4.32 0.02 . 1 . . . . A 41 ALA HA . 34613 1 475 . 1 . 1 41 41 ALA HB1 H 1 1.72 0.02 . 1 . . . . A 41 ALA HB1 . 34613 1 476 . 1 . 1 41 41 ALA HB2 H 1 1.72 0.02 . 1 . . . . A 41 ALA HB2 . 34613 1 477 . 1 . 1 41 41 ALA HB3 H 1 1.72 0.02 . 1 . . . . A 41 ALA HB3 . 34613 1 478 . 1 . 1 41 41 ALA C C 13 180.67 0.05 . 1 . . . . A 41 ALA C . 34613 1 479 . 1 . 1 41 41 ALA CA C 13 55.33 0.05 . 1 . . . . A 41 ALA CA . 34613 1 480 . 1 . 1 41 41 ALA CB C 13 18.03 0.05 . 1 . . . . A 41 ALA CB . 34613 1 481 . 1 . 1 41 41 ALA N N 15 123.21 0.05 . 1 . . . . A 41 ALA N . 34613 1 482 . 1 . 1 42 42 ASP H H 1 8.45 0.02 . 1 . . . . A 42 ASP H . 34613 1 483 . 1 . 1 42 42 ASP HA H 1 4.67 0.02 . 1 . . . . A 42 ASP HA . 34613 1 484 . 1 . 1 42 42 ASP HB2 H 1 3.02 0.02 . 1 . . . . A 42 ASP HB2 . 34613 1 485 . 1 . 1 42 42 ASP HB3 H 1 2.91 0.02 . 1 . . . . A 42 ASP HB3 . 34613 1 486 . 1 . 1 42 42 ASP C C 13 178.98 0.05 . 1 . . . . A 42 ASP C . 34613 1 487 . 1 . 1 42 42 ASP CA C 13 57.65 0.05 . 1 . . . . A 42 ASP CA . 34613 1 488 . 1 . 1 42 42 ASP CB C 13 41.03 0.05 . 1 . . . . A 42 ASP CB . 34613 1 489 . 1 . 1 42 42 ASP N N 15 120.03 0.05 . 1 . . . . A 42 ASP N . 34613 1 490 . 1 . 1 43 43 PHE H H 1 8.09 0.02 . 1 . . . . A 43 PHE H . 34613 1 491 . 1 . 1 43 43 PHE HA H 1 4.83 0.02 . 1 . . . . A 43 PHE HA . 34613 1 492 . 1 . 1 43 43 PHE HB2 H 1 3.45 0.02 . 1 . . . . A 43 PHE HB2 . 34613 1 493 . 1 . 1 43 43 PHE HB3 H 1 3.26 0.02 . 1 . . . . A 43 PHE HB3 . 34613 1 494 . 1 . 1 43 43 PHE HD1 H 1 7.43 0.02 . 1 . . . . A 43 PHE HD1 . 34613 1 495 . 1 . 1 43 43 PHE HD2 H 1 7.43 0.02 . 1 . . . . A 43 PHE HD2 . 34613 1 496 . 1 . 1 43 43 PHE HE1 H 1 7.24 0.02 . 1 . . . . A 43 PHE HE1 . 34613 1 497 . 1 . 1 43 43 PHE HE2 H 1 7.24 0.02 . 1 . . . . A 43 PHE HE2 . 34613 1 498 . 1 . 1 43 43 PHE HZ H 1 7.18 0.02 . 1 . . . . A 43 PHE HZ . 34613 1 499 . 1 . 1 43 43 PHE C C 13 177.34 0.05 . 1 . . . . A 43 PHE C . 34613 1 500 . 1 . 1 43 43 PHE CA C 13 59.80 0.05 . 1 . . . . A 43 PHE CA . 34613 1 501 . 1 . 1 43 43 PHE CB C 13 39.85 0.05 . 1 . . . . A 43 PHE CB . 34613 1 502 . 1 . 1 43 43 PHE CD1 C 13 131.69 0.05 . 1 . . . . A 43 PHE CD1 . 34613 1 503 . 1 . 1 43 43 PHE CD2 C 13 131.69 0.05 . 1 . . . . A 43 PHE CD2 . 34613 1 504 . 1 . 1 43 43 PHE CE1 C 13 130.21 0.05 . 1 . . . . A 43 PHE CE1 . 34613 1 505 . 1 . 1 43 43 PHE CE2 C 13 130.21 0.05 . 1 . . . . A 43 PHE CE2 . 34613 1 506 . 1 . 1 43 43 PHE CZ C 13 129.99 0.05 . 1 . . . . A 43 PHE CZ . 34613 1 507 . 1 . 1 43 43 PHE N N 15 121.15 0.05 . 1 . . . . A 43 PHE N . 34613 1 508 . 1 . 1 44 44 ALA H H 1 8.86 0.02 . 1 . . . . A 44 ALA H . 34613 1 509 . 1 . 1 44 44 ALA HA H 1 3.94 0.02 . 1 . . . . A 44 ALA HA . 34613 1 510 . 1 . 1 44 44 ALA HB1 H 1 1.72 0.02 . 1 . . . . A 44 ALA HB1 . 34613 1 511 . 1 . 1 44 44 ALA HB2 H 1 1.72 0.02 . 1 . . . . A 44 ALA HB2 . 34613 1 512 . 1 . 1 44 44 ALA HB3 H 1 1.72 0.02 . 1 . . . . A 44 ALA HB3 . 34613 1 513 . 1 . 1 44 44 ALA C C 13 179.82 0.05 . 1 . . . . A 44 ALA C . 34613 1 514 . 1 . 1 44 44 ALA CA C 13 56.06 0.05 . 1 . . . . A 44 ALA CA . 34613 1 515 . 1 . 1 44 44 ALA CB C 13 17.99 0.05 . 1 . . . . A 44 ALA CB . 34613 1 516 . 1 . 1 44 44 ALA N N 15 122.13 0.05 . 1 . . . . A 44 ALA N . 34613 1 517 . 1 . 1 45 45 THR H H 1 8.43 0.02 . 1 . . . . A 45 THR H . 34613 1 518 . 1 . 1 45 45 THR HA H 1 4.17 0.02 . 1 . . . . A 45 THR HA . 34613 1 519 . 1 . 1 45 45 THR HB H 1 4.63 0.02 . 1 . . . . A 45 THR HB . 34613 1 520 . 1 . 1 45 45 THR HG21 H 1 1.45 0.02 . 1 . . . . A 45 THR HG21 . 34613 1 521 . 1 . 1 45 45 THR HG22 H 1 1.45 0.02 . 1 . . . . A 45 THR HG22 . 34613 1 522 . 1 . 1 45 45 THR HG23 H 1 1.45 0.02 . 1 . . . . A 45 THR HG23 . 34613 1 523 . 1 . 1 45 45 THR C C 13 176.64 0.05 . 1 . . . . A 45 THR C . 34613 1 524 . 1 . 1 45 45 THR CA C 13 67.01 0.05 . 1 . . . . A 45 THR CA . 34613 1 525 . 1 . 1 45 45 THR CB C 13 68.83 0.05 . 1 . . . . A 45 THR CB . 34613 1 526 . 1 . 1 45 45 THR CG2 C 13 21.95 0.05 . 1 . . . . A 45 THR CG2 . 34613 1 527 . 1 . 1 45 45 THR N N 15 115.44 0.05 . 1 . . . . A 45 THR N . 34613 1 528 . 1 . 1 46 46 THR H H 1 8.12 0.02 . 1 . . . . A 46 THR H . 34613 1 529 . 1 . 1 46 46 THR HA H 1 4.17 0.02 . 1 . . . . A 46 THR HA . 34613 1 530 . 1 . 1 46 46 THR HB H 1 4.63 0.02 . 1 . . . . A 46 THR HB . 34613 1 531 . 1 . 1 46 46 THR HG21 H 1 1.39 0.02 . 1 . . . . A 46 THR HG21 . 34613 1 532 . 1 . 1 46 46 THR HG22 H 1 1.39 0.02 . 1 . . . . A 46 THR HG22 . 34613 1 533 . 1 . 1 46 46 THR HG23 H 1 1.39 0.02 . 1 . . . . A 46 THR HG23 . 34613 1 534 . 1 . 1 46 46 THR C C 13 179.50 0.05 . 1 . . . . A 46 THR C . 34613 1 535 . 1 . 1 46 46 THR CA C 13 66.85 0.05 . 1 . . . . A 46 THR CA . 34613 1 536 . 1 . 1 46 46 THR CB C 13 68.63 0.05 . 1 . . . . A 46 THR CB . 34613 1 537 . 1 . 1 46 46 THR CG2 C 13 22.27 0.05 . 1 . . . . A 46 THR CG2 . 34613 1 538 . 1 . 1 46 46 THR N N 15 120.07 0.05 . 1 . . . . A 46 THR N . 34613 1 539 . 1 . 1 47 47 MET H H 1 8.26 0.02 . 1 . . . . A 47 MET H . 34613 1 540 . 1 . 1 47 47 MET HA H 1 4.32 0.02 . 1 . . . . A 47 MET HA . 34613 1 541 . 1 . 1 47 47 MET HB2 H 1 2.50 0.02 . 1 . . . . A 47 MET HB2 . 34613 1 542 . 1 . 1 47 47 MET HB3 H 1 2.34 0.02 . 1 . . . . A 47 MET HB3 . 34613 1 543 . 1 . 1 47 47 MET HG2 H 1 2.69 0.02 . 1 . . . . A 47 MET HG2 . 34613 1 544 . 1 . 1 47 47 MET HG3 H 1 2.50 0.02 . 1 . . . . A 47 MET HG3 . 34613 1 545 . 1 . 1 47 47 MET HE1 H 1 1.91 0.02 . 1 . . . . A 47 MET HE1 . 34613 1 546 . 1 . 1 47 47 MET HE2 H 1 1.91 0.02 . 1 . . . . A 47 MET HE2 . 34613 1 547 . 1 . 1 47 47 MET HE3 H 1 1.91 0.02 . 1 . . . . A 47 MET HE3 . 34613 1 548 . 1 . 1 47 47 MET C C 13 177.45 0.05 . 1 . . . . A 47 MET C . 34613 1 549 . 1 . 1 47 47 MET CA C 13 58.38 0.05 . 1 . . . . A 47 MET CA . 34613 1 550 . 1 . 1 47 47 MET CB C 13 33.24 0.05 . 1 . . . . A 47 MET CB . 34613 1 551 . 1 . 1 47 47 MET CG C 13 32.94 0.05 . 1 . . . . A 47 MET CG . 34613 1 552 . 1 . 1 47 47 MET CE C 13 18.39 0.05 . 1 . . . . A 47 MET CE . 34613 1 553 . 1 . 1 47 47 MET N N 15 119.96 0.05 . 1 . . . . A 47 MET N . 34613 1 554 . 1 . 1 48 48 ALA H H 1 8.64 0.02 . 1 . . . . A 48 ALA H . 34613 1 555 . 1 . 1 48 48 ALA HA H 1 3.94 0.02 . 1 . . . . A 48 ALA HA . 34613 1 556 . 1 . 1 48 48 ALA HB1 H 1 1.57 0.02 . 1 . . . . A 48 ALA HB1 . 34613 1 557 . 1 . 1 48 48 ALA HB2 H 1 1.57 0.02 . 1 . . . . A 48 ALA HB2 . 34613 1 558 . 1 . 1 48 48 ALA HB3 H 1 1.57 0.02 . 1 . . . . A 48 ALA HB3 . 34613 1 559 . 1 . 1 48 48 ALA C C 13 180.71 0.05 . 1 . . . . A 48 ALA C . 34613 1 560 . 1 . 1 48 48 ALA CA C 13 55.40 0.05 . 1 . . . . A 48 ALA CA . 34613 1 561 . 1 . 1 48 48 ALA CB C 13 17.89 0.05 . 1 . . . . A 48 ALA CB . 34613 1 562 . 1 . 1 48 48 ALA N N 15 121.88 0.05 . 1 . . . . A 48 ALA N . 34613 1 563 . 1 . 1 49 49 GLN H H 1 8.20 0.02 . 1 . . . . A 49 GLN H . 34613 1 564 . 1 . 1 49 49 GLN HA H 1 4.16 0.02 . 1 . . . . A 49 GLN HA . 34613 1 565 . 1 . 1 49 49 GLN HB2 H 1 2.35 0.02 . 1 . . . . A 49 GLN HB2 . 34613 1 566 . 1 . 1 49 49 GLN HB3 H 1 2.35 0.02 . 1 . . . . A 49 GLN HB3 . 34613 1 567 . 1 . 1 49 49 GLN HG2 H 1 2.68 0.02 . 1 . . . . A 49 GLN HG2 . 34613 1 568 . 1 . 1 49 49 GLN HG3 H 1 2.47 0.02 . 1 . . . . A 49 GLN HG3 . 34613 1 569 . 1 . 1 49 49 GLN HE21 H 1 7.57 0.02 . 1 . . . . A 49 GLN HE21 . 34613 1 570 . 1 . 1 49 49 GLN HE22 H 1 6.78 0.02 . 1 . . . . A 49 GLN HE22 . 34613 1 571 . 1 . 1 49 49 GLN C C 13 178.30 0.05 . 1 . . . . A 49 GLN C . 34613 1 572 . 1 . 1 49 49 GLN CA C 13 58.89 0.05 . 1 . . . . A 49 GLN CA . 34613 1 573 . 1 . 1 49 49 GLN CB C 13 28.24 0.05 . 1 . . . . A 49 GLN CB . 34613 1 574 . 1 . 1 49 49 GLN CG C 13 34.02 0.05 . 1 . . . . A 49 GLN CG . 34613 1 575 . 1 . 1 49 49 GLN N N 15 117.50 0.05 . 1 . . . . A 49 GLN N . 34613 1 576 . 1 . 1 49 49 GLN NE2 N 15 111.08 0.05 . 1 . . . . A 49 GLN NE2 . 34613 1 577 . 1 . 1 50 50 ALA H H 1 7.70 0.02 . 1 . . . . A 50 ALA H . 34613 1 578 . 1 . 1 50 50 ALA HA H 1 3.99 0.02 . 1 . . . . A 50 ALA HA . 34613 1 579 . 1 . 1 50 50 ALA HB1 H 1 1.26 0.02 . 1 . . . . A 50 ALA HB1 . 34613 1 580 . 1 . 1 50 50 ALA HB2 H 1 1.26 0.02 . 1 . . . . A 50 ALA HB2 . 34613 1 581 . 1 . 1 50 50 ALA HB3 H 1 1.26 0.02 . 1 . . . . A 50 ALA HB3 . 34613 1 582 . 1 . 1 50 50 ALA C C 13 179.32 0.05 . 1 . . . . A 50 ALA C . 34613 1 583 . 1 . 1 50 50 ALA CA C 13 54.69 0.05 . 1 . . . . A 50 ALA CA . 34613 1 584 . 1 . 1 50 50 ALA CB C 13 18.27 0.05 . 1 . . . . A 50 ALA CB . 34613 1 585 . 1 . 1 50 50 ALA N N 15 121.11 0.05 . 1 . . . . A 50 ALA N . 34613 1 586 . 1 . 1 51 51 MET H H 1 7.88 0.02 . 1 . . . . A 51 MET H . 34613 1 587 . 1 . 1 51 51 MET HA H 1 4.06 0.02 . 1 . . . . A 51 MET HA . 34613 1 588 . 1 . 1 51 51 MET HB2 H 1 2.17 0.02 . 1 . . . . A 51 MET HB2 . 34613 1 589 . 1 . 1 51 51 MET HB3 H 1 2.17 0.02 . 1 . . . . A 51 MET HB3 . 34613 1 590 . 1 . 1 51 51 MET HG2 H 1 2.68 0.02 . 1 . . . . A 51 MET HG2 . 34613 1 591 . 1 . 1 51 51 MET HG3 H 1 2.50 0.02 . 1 . . . . A 51 MET HG3 . 34613 1 592 . 1 . 1 51 51 MET HE1 H 1 2.16 0.02 . 1 . . . . A 51 MET HE1 . 34613 1 593 . 1 . 1 51 51 MET HE2 H 1 2.16 0.02 . 1 . . . . A 51 MET HE2 . 34613 1 594 . 1 . 1 51 51 MET HE3 H 1 2.16 0.02 . 1 . . . . A 51 MET HE3 . 34613 1 595 . 1 . 1 51 51 MET C C 13 178.08 0.05 . 1 . . . . A 51 MET C . 34613 1 596 . 1 . 1 51 51 MET CA C 13 58.21 0.05 . 1 . . . . A 51 MET CA . 34613 1 597 . 1 . 1 51 51 MET CB C 13 33.27 0.05 . 1 . . . . A 51 MET CB . 34613 1 598 . 1 . 1 51 51 MET CG C 13 32.40 0.05 . 1 . . . . A 51 MET CG . 34613 1 599 . 1 . 1 51 51 MET CE C 13 17.33 0.05 . 1 . . . . A 51 MET CE . 34613 1 600 . 1 . 1 51 51 MET N N 15 114.35 0.05 . 1 . . . . A 51 MET N . 34613 1 601 . 1 . 1 52 52 GLU H H 1 7.83 0.02 . 1 . . . . A 52 GLU H . 34613 1 602 . 1 . 1 52 52 GLU HA H 1 4.18 0.02 . 1 . . . . A 52 GLU HA . 34613 1 603 . 1 . 1 52 52 GLU HB2 H 1 2.18 0.02 . 1 . . . . A 52 GLU HB2 . 34613 1 604 . 1 . 1 52 52 GLU HB3 H 1 2.18 0.02 . 1 . . . . A 52 GLU HB3 . 34613 1 605 . 1 . 1 52 52 GLU HG2 H 1 2.42 0.02 . 1 . . . . A 52 GLU HG2 . 34613 1 606 . 1 . 1 52 52 GLU HG3 H 1 2.42 0.02 . 1 . . . . A 52 GLU HG3 . 34613 1 607 . 1 . 1 52 52 GLU C C 13 177.92 0.05 . 1 . . . . A 52 GLU C . 34613 1 608 . 1 . 1 52 52 GLU CA C 13 58.44 0.05 . 1 . . . . A 52 GLU CA . 34613 1 609 . 1 . 1 52 52 GLU CB C 13 30.22 0.05 . 1 . . . . A 52 GLU CB . 34613 1 610 . 1 . 1 52 52 GLU CG C 13 36.37 0.05 . 1 . . . . A 52 GLU CG . 34613 1 611 . 1 . 1 52 52 GLU N N 15 119.15 0.05 . 1 . . . . A 52 GLU N . 34613 1 612 . 1 . 1 53 53 GLU H H 1 8.01 0.02 . 1 . . . . A 53 GLU H . 34613 1 613 . 1 . 1 53 53 GLU HA H 1 4.12 0.02 . 1 . . . . A 53 GLU HA . 34613 1 614 . 1 . 1 53 53 GLU HB2 H 1 2.16 0.02 . 1 . . . . A 53 GLU HB2 . 34613 1 615 . 1 . 1 53 53 GLU HB3 H 1 2.10 0.02 . 1 . . . . A 53 GLU HB3 . 34613 1 616 . 1 . 1 53 53 GLU HG2 H 1 2.47 0.02 . 1 . . . . A 53 GLU HG2 . 34613 1 617 . 1 . 1 53 53 GLU HG3 H 1 2.36 0.02 . 1 . . . . A 53 GLU HG3 . 34613 1 618 . 1 . 1 53 53 GLU C C 13 177.58 0.05 . 1 . . . . A 53 GLU C . 34613 1 619 . 1 . 1 53 53 GLU CA C 13 57.82 0.05 . 1 . . . . A 53 GLU CA . 34613 1 620 . 1 . 1 53 53 GLU CB C 13 30.22 0.05 . 1 . . . . A 53 GLU CB . 34613 1 621 . 1 . 1 53 53 GLU CG C 13 36.64 0.05 . 1 . . . . A 53 GLU CG . 34613 1 622 . 1 . 1 53 53 GLU N N 15 118.11 0.05 . 1 . . . . A 53 GLU N . 34613 1 623 . 1 . 1 54 54 GLY H H 1 7.71 0.02 . 1 . . . . A 54 GLY H . 34613 1 624 . 1 . 1 54 54 GLY HA2 H 1 4.35 0.02 . 1 . . . . A 54 GLY HA2 . 34613 1 625 . 1 . 1 54 54 GLY HA3 H 1 3.86 0.02 . 1 . . . . A 54 GLY HA3 . 34613 1 626 . 1 . 1 54 54 GLY C C 13 174.34 0.05 . 1 . . . . A 54 GLY C . 34613 1 627 . 1 . 1 54 54 GLY CA C 13 45.21 0.05 . 1 . . . . A 54 GLY CA . 34613 1 628 . 1 . 1 54 54 GLY N N 15 107.43 0.05 . 1 . . . . A 54 GLY N . 34613 1 629 . 1 . 1 55 55 LEU H H 1 8.39 0.02 . 1 . . . . A 55 LEU H . 34613 1 630 . 1 . 1 55 55 LEU HA H 1 4.21 0.02 . 1 . . . . A 55 LEU HA . 34613 1 631 . 1 . 1 55 55 LEU HB2 H 1 2.04 0.02 . 1 . . . . A 55 LEU HB2 . 34613 1 632 . 1 . 1 55 55 LEU HB3 H 1 1.80 0.02 . 1 . . . . A 55 LEU HB3 . 34613 1 633 . 1 . 1 55 55 LEU HG H 1 1.80 0.02 . 1 . . . . A 55 LEU HG . 34613 1 634 . 1 . 1 55 55 LEU HD11 H 1 0.98 0.02 . 1 . . . . A 55 LEU HD11 . 34613 1 635 . 1 . 1 55 55 LEU HD12 H 1 0.98 0.02 . 1 . . . . A 55 LEU HD12 . 34613 1 636 . 1 . 1 55 55 LEU HD13 H 1 0.98 0.02 . 1 . . . . A 55 LEU HD13 . 34613 1 637 . 1 . 1 55 55 LEU HD21 H 1 0.89 0.02 . 1 . . . . A 55 LEU HD21 . 34613 1 638 . 1 . 1 55 55 LEU HD22 H 1 0.89 0.02 . 1 . . . . A 55 LEU HD22 . 34613 1 639 . 1 . 1 55 55 LEU HD23 H 1 0.89 0.02 . 1 . . . . A 55 LEU HD23 . 34613 1 640 . 1 . 1 55 55 LEU C C 13 177.40 0.05 . 1 . . . . A 55 LEU C . 34613 1 641 . 1 . 1 55 55 LEU CA C 13 56.55 0.05 . 1 . . . . A 55 LEU CA . 34613 1 642 . 1 . 1 55 55 LEU CB C 13 42.00 0.05 . 1 . . . . A 55 LEU CB . 34613 1 643 . 1 . 1 55 55 LEU CG C 13 27.16 0.05 . 1 . . . . A 55 LEU CG . 34613 1 644 . 1 . 1 55 55 LEU CD1 C 13 25.52 0.05 . 1 . . . . A 55 LEU CD1 . 34613 1 645 . 1 . 1 55 55 LEU CD2 C 13 23.58 0.05 . 1 . . . . A 55 LEU CD2 . 34613 1 646 . 1 . 1 55 55 LEU N N 15 122.04 0.05 . 1 . . . . A 55 LEU N . 34613 1 647 . 1 . 1 56 56 ASP H H 1 8.55 0.02 . 1 . . . . A 56 ASP H . 34613 1 648 . 1 . 1 56 56 ASP HA H 1 4.65 0.02 . 1 . . . . A 56 ASP HA . 34613 1 649 . 1 . 1 56 56 ASP HB2 H 1 2.81 0.02 . 1 . . . . A 56 ASP HB2 . 34613 1 650 . 1 . 1 56 56 ASP HB3 H 1 2.81 0.02 . 1 . . . . A 56 ASP HB3 . 34613 1 651 . 1 . 1 56 56 ASP C C 13 176.41 0.05 . 1 . . . . A 56 ASP C . 34613 1 652 . 1 . 1 56 56 ASP CA C 13 55.49 0.05 . 1 . . . . A 56 ASP CA . 34613 1 653 . 1 . 1 56 56 ASP CB C 13 40.85 0.05 . 1 . . . . A 56 ASP CB . 34613 1 654 . 1 . 1 56 56 ASP N N 15 116.77 0.05 . 1 . . . . A 56 ASP N . 34613 1 655 . 1 . 1 57 57 SER H H 1 7.74 0.02 . 1 . . . . A 57 SER H . 34613 1 656 . 1 . 1 57 57 SER HA H 1 4.62 0.02 . 1 . . . . A 57 SER HA . 34613 1 657 . 1 . 1 57 57 SER HB2 H 1 3.95 0.02 . 1 . . . . A 57 SER HB2 . 34613 1 658 . 1 . 1 57 57 SER HB3 H 1 3.95 0.02 . 1 . . . . A 57 SER HB3 . 34613 1 659 . 1 . 1 57 57 SER C C 13 173.74 0.05 . 1 . . . . A 57 SER C . 34613 1 660 . 1 . 1 57 57 SER CA C 13 57.61 0.05 . 1 . . . . A 57 SER CA . 34613 1 661 . 1 . 1 57 57 SER CB C 13 64.10 0.05 . 1 . . . . A 57 SER CB . 34613 1 662 . 1 . 1 57 57 SER N N 15 113.04 0.05 . 1 . . . . A 57 SER N . 34613 1 663 . 1 . 1 58 58 LEU H H 1 7.76 0.02 . 1 . . . . A 58 LEU H . 34613 1 664 . 1 . 1 58 58 LEU HA H 1 4.65 0.02 . 1 . . . . A 58 LEU HA . 34613 1 665 . 1 . 1 58 58 LEU HB2 H 1 1.73 0.02 . 1 . . . . A 58 LEU HB2 . 34613 1 666 . 1 . 1 58 58 LEU HB3 H 1 1.51 0.02 . 1 . . . . A 58 LEU HB3 . 34613 1 667 . 1 . 1 58 58 LEU HG H 1 1.76 0.02 . 1 . . . . A 58 LEU HG . 34613 1 668 . 1 . 1 58 58 LEU HD11 H 1 0.73 0.02 . 1 . . . . A 58 LEU HD11 . 34613 1 669 . 1 . 1 58 58 LEU HD12 H 1 0.73 0.02 . 1 . . . . A 58 LEU HD12 . 34613 1 670 . 1 . 1 58 58 LEU HD13 H 1 0.73 0.02 . 1 . . . . A 58 LEU HD13 . 34613 1 671 . 1 . 1 58 58 LEU HD21 H 1 0.71 0.02 . 1 . . . . A 58 LEU HD21 . 34613 1 672 . 1 . 1 58 58 LEU HD22 H 1 0.71 0.02 . 1 . . . . A 58 LEU HD22 . 34613 1 673 . 1 . 1 58 58 LEU HD23 H 1 0.71 0.02 . 1 . . . . A 58 LEU HD23 . 34613 1 674 . 1 . 1 58 58 LEU CA C 13 52.89 0.05 . 1 . . . . A 58 LEU CA . 34613 1 675 . 1 . 1 58 58 LEU CB C 13 42.56 0.05 . 1 . . . . A 58 LEU CB . 34613 1 676 . 1 . 1 58 58 LEU CG C 13 26.40 0.05 . 1 . . . . A 58 LEU CG . 34613 1 677 . 1 . 1 58 58 LEU CD1 C 13 23.87 0.05 . 1 . . . . A 58 LEU CD1 . 34613 1 678 . 1 . 1 58 58 LEU CD2 C 13 25.74 0.05 . 1 . . . . A 58 LEU CD2 . 34613 1 679 . 1 . 1 58 58 LEU N N 15 123.57 0.05 . 1 . . . . A 58 LEU N . 34613 1 680 . 1 . 1 59 59 PRO HA H 1 4.78 0.02 . 1 . . . . A 59 PRO HA . 34613 1 681 . 1 . 1 59 59 PRO HB2 H 1 2.57 0.02 . 1 . . . . A 59 PRO HB2 . 34613 1 682 . 1 . 1 59 59 PRO HB3 H 1 2.27 0.02 . 1 . . . . A 59 PRO HB3 . 34613 1 683 . 1 . 1 59 59 PRO HG2 H 1 2.26 0.02 . 1 . . . . A 59 PRO HG2 . 34613 1 684 . 1 . 1 59 59 PRO HG3 H 1 2.26 0.02 . 1 . . . . A 59 PRO HG3 . 34613 1 685 . 1 . 1 59 59 PRO HD2 H 1 4.16 0.02 . 1 . . . . A 59 PRO HD2 . 34613 1 686 . 1 . 1 59 59 PRO HD3 H 1 3.67 0.02 . 1 . . . . A 59 PRO HD3 . 34613 1 687 . 1 . 1 59 59 PRO CA C 13 62.51 0.05 . 1 . . . . A 59 PRO CA . 34613 1 688 . 1 . 1 59 59 PRO CB C 13 32.15 0.05 . 1 . . . . A 59 PRO CB . 34613 1 689 . 1 . 1 59 59 PRO CG C 13 27.52 0.05 . 1 . . . . A 59 PRO CG . 34613 1 690 . 1 . 1 59 59 PRO CD C 13 50.62 0.05 . 1 . . . . A 59 PRO CD . 34613 1 691 . 1 . 1 60 60 GLN HE21 H 1 7.59 0.02 . 1 . . . . A 60 GLN HE21 . 34613 1 692 . 1 . 1 60 60 GLN HE22 H 1 6.97 0.02 . 1 . . . . A 60 GLN HE22 . 34613 1 693 . 1 . 1 60 60 GLN NE2 N 15 111.38 0.05 . 1 . . . . A 60 GLN NE2 . 34613 1 694 . 1 . 1 61 61 SER HA H 1 4.28 0.02 . 1 . . . . A 61 SER HA . 34613 1 695 . 1 . 1 61 61 SER HB2 H 1 4.11 0.02 . 1 . . . . A 61 SER HB2 . 34613 1 696 . 1 . 1 61 61 SER HB3 H 1 4.11 0.02 . 1 . . . . A 61 SER HB3 . 34613 1 697 . 1 . 1 61 61 SER C C 13 176.40 0.05 . 1 . . . . A 61 SER C . 34613 1 698 . 1 . 1 61 61 SER CA C 13 60.34 0.05 . 1 . . . . A 61 SER CA . 34613 1 699 . 1 . 1 61 61 SER CB C 13 62.18 0.05 . 1 . . . . A 61 SER CB . 34613 1 700 . 1 . 1 62 62 PHE H H 1 7.74 0.02 . 1 . . . . A 62 PHE H . 34613 1 701 . 1 . 1 62 62 PHE HA H 1 4.38 0.02 . 1 . . . . A 62 PHE HA . 34613 1 702 . 1 . 1 62 62 PHE HB2 H 1 3.44 0.02 . 1 . . . . A 62 PHE HB2 . 34613 1 703 . 1 . 1 62 62 PHE HB3 H 1 3.26 0.02 . 1 . . . . A 62 PHE HB3 . 34613 1 704 . 1 . 1 62 62 PHE HD1 H 1 7.29 0.02 . 1 . . . . A 62 PHE HD1 . 34613 1 705 . 1 . 1 62 62 PHE HD2 H 1 7.29 0.02 . 1 . . . . A 62 PHE HD2 . 34613 1 706 . 1 . 1 62 62 PHE HE1 H 1 7.28 0.02 . 1 . . . . A 62 PHE HE1 . 34613 1 707 . 1 . 1 62 62 PHE HE2 H 1 7.28 0.02 . 1 . . . . A 62 PHE HE2 . 34613 1 708 . 1 . 1 62 62 PHE HZ H 1 7.30 0.02 . 1 . . . . A 62 PHE HZ . 34613 1 709 . 1 . 1 62 62 PHE C C 13 177.04 0.05 . 1 . . . . A 62 PHE C . 34613 1 710 . 1 . 1 62 62 PHE CA C 13 61.41 0.05 . 1 . . . . A 62 PHE CA . 34613 1 711 . 1 . 1 62 62 PHE CB C 13 39.60 0.05 . 1 . . . . A 62 PHE CB . 34613 1 712 . 1 . 1 62 62 PHE CD1 C 13 132.71 0.05 . 1 . . . . A 62 PHE CD1 . 34613 1 713 . 1 . 1 62 62 PHE CD2 C 13 132.71 0.05 . 1 . . . . A 62 PHE CD2 . 34613 1 714 . 1 . 1 62 62 PHE CE1 C 13 133.15 0.05 . 1 . . . . A 62 PHE CE1 . 34613 1 715 . 1 . 1 62 62 PHE CE2 C 13 133.15 0.05 . 1 . . . . A 62 PHE CE2 . 34613 1 716 . 1 . 1 62 62 PHE CZ C 13 132.79 0.05 . 1 . . . . A 62 PHE CZ . 34613 1 717 . 1 . 1 62 62 PHE N N 15 122.95 0.05 . 1 . . . . A 62 PHE N . 34613 1 718 . 1 . 1 63 63 LEU H H 1 8.00 0.02 . 1 . . . . A 63 LEU H . 34613 1 719 . 1 . 1 63 63 LEU HA H 1 3.92 0.02 . 1 . . . . A 63 LEU HA . 34613 1 720 . 1 . 1 63 63 LEU HB2 H 1 1.95 0.02 . 1 . . . . A 63 LEU HB2 . 34613 1 721 . 1 . 1 63 63 LEU HB3 H 1 1.71 0.02 . 1 . . . . A 63 LEU HB3 . 34613 1 722 . 1 . 1 63 63 LEU HG H 1 1.91 0.02 . 1 . . . . A 63 LEU HG . 34613 1 723 . 1 . 1 63 63 LEU HD11 H 1 1.02 0.02 . 1 . . . . A 63 LEU HD11 . 34613 1 724 . 1 . 1 63 63 LEU HD12 H 1 1.02 0.02 . 1 . . . . A 63 LEU HD12 . 34613 1 725 . 1 . 1 63 63 LEU HD13 H 1 1.02 0.02 . 1 . . . . A 63 LEU HD13 . 34613 1 726 . 1 . 1 63 63 LEU HD21 H 1 1.04 0.02 . 1 . . . . A 63 LEU HD21 . 34613 1 727 . 1 . 1 63 63 LEU HD22 H 1 1.04 0.02 . 1 . . . . A 63 LEU HD22 . 34613 1 728 . 1 . 1 63 63 LEU HD23 H 1 1.04 0.02 . 1 . . . . A 63 LEU HD23 . 34613 1 729 . 1 . 1 63 63 LEU C C 13 178.24 0.05 . 1 . . . . A 63 LEU C . 34613 1 730 . 1 . 1 63 63 LEU CA C 13 58.16 0.05 . 1 . . . . A 63 LEU CA . 34613 1 731 . 1 . 1 63 63 LEU CB C 13 41.81 0.05 . 1 . . . . A 63 LEU CB . 34613 1 732 . 1 . 1 63 63 LEU CG C 13 27.28 0.05 . 1 . . . . A 63 LEU CG . 34613 1 733 . 1 . 1 63 63 LEU CD1 C 13 25.82 0.05 . 1 . . . . A 63 LEU CD1 . 34613 1 734 . 1 . 1 63 63 LEU CD2 C 13 24.19 0.05 . 1 . . . . A 63 LEU CD2 . 34613 1 735 . 1 . 1 63 63 LEU N N 15 119.26 0.05 . 1 . . . . A 63 LEU N . 34613 1 736 . 1 . 1 64 64 LEU H H 1 7.97 0.02 . 1 . . . . A 64 LEU H . 34613 1 737 . 1 . 1 64 64 LEU HA H 1 4.12 0.02 . 1 . . . . A 64 LEU HA . 34613 1 738 . 1 . 1 64 64 LEU HB2 H 1 2.06 0.02 . 1 . . . . A 64 LEU HB2 . 34613 1 739 . 1 . 1 64 64 LEU HB3 H 1 1.65 0.02 . 1 . . . . A 64 LEU HB3 . 34613 1 740 . 1 . 1 64 64 LEU HG H 1 1.91 0.02 . 1 . . . . A 64 LEU HG . 34613 1 741 . 1 . 1 64 64 LEU HD11 H 1 1.03 0.02 . 1 . . . . A 64 LEU HD11 . 34613 1 742 . 1 . 1 64 64 LEU HD12 H 1 1.03 0.02 . 1 . . . . A 64 LEU HD12 . 34613 1 743 . 1 . 1 64 64 LEU HD13 H 1 1.03 0.02 . 1 . . . . A 64 LEU HD13 . 34613 1 744 . 1 . 1 64 64 LEU HD21 H 1 0.96 0.02 . 1 . . . . A 64 LEU HD21 . 34613 1 745 . 1 . 1 64 64 LEU HD22 H 1 0.96 0.02 . 1 . . . . A 64 LEU HD22 . 34613 1 746 . 1 . 1 64 64 LEU HD23 H 1 0.96 0.02 . 1 . . . . A 64 LEU HD23 . 34613 1 747 . 1 . 1 64 64 LEU C C 13 180.15 0.05 . 1 . . . . A 64 LEU C . 34613 1 748 . 1 . 1 64 64 LEU CA C 13 58.18 0.05 . 1 . . . . A 64 LEU CA . 34613 1 749 . 1 . 1 64 64 LEU CB C 13 41.19 0.05 . 1 . . . . A 64 LEU CB . 34613 1 750 . 1 . 1 64 64 LEU CG C 13 27.23 0.05 . 1 . . . . A 64 LEU CG . 34613 1 751 . 1 . 1 64 64 LEU CD1 C 13 25.59 0.05 . 1 . . . . A 64 LEU CD1 . 34613 1 752 . 1 . 1 64 64 LEU CD2 C 13 22.82 0.05 . 1 . . . . A 64 LEU CD2 . 34613 1 753 . 1 . 1 64 64 LEU N N 15 117.02 0.05 . 1 . . . . A 64 LEU N . 34613 1 754 . 1 . 1 65 65 LYS H H 1 7.70 0.02 . 1 . . . . A 65 LYS H . 34613 1 755 . 1 . 1 65 65 LYS HA H 1 4.16 0.02 . 1 . . . . A 65 LYS HA . 34613 1 756 . 1 . 1 65 65 LYS HB2 H 1 1.97 0.02 . 1 . . . . A 65 LYS HB2 . 34613 1 757 . 1 . 1 65 65 LYS HB3 H 1 1.97 0.02 . 1 . . . . A 65 LYS HB3 . 34613 1 758 . 1 . 1 65 65 LYS HG2 H 1 1.68 0.02 . 1 . . . . A 65 LYS HG2 . 34613 1 759 . 1 . 1 65 65 LYS HG3 H 1 1.68 0.02 . 1 . . . . A 65 LYS HG3 . 34613 1 760 . 1 . 1 65 65 LYS HD2 H 1 1.81 0.02 . 1 . . . . A 65 LYS HD2 . 34613 1 761 . 1 . 1 65 65 LYS HD3 H 1 1.81 0.02 . 1 . . . . A 65 LYS HD3 . 34613 1 762 . 1 . 1 65 65 LYS HE2 H 1 3.12 0.02 . 1 . . . . A 65 LYS HE2 . 34613 1 763 . 1 . 1 65 65 LYS HE3 H 1 3.12 0.02 . 1 . . . . A 65 LYS HE3 . 34613 1 764 . 1 . 1 65 65 LYS C C 13 178.71 0.05 . 1 . . . . A 65 LYS C . 34613 1 765 . 1 . 1 65 65 LYS CA C 13 58.96 0.05 . 1 . . . . A 65 LYS CA . 34613 1 766 . 1 . 1 65 65 LYS CB C 13 31.83 0.05 . 1 . . . . A 65 LYS CB . 34613 1 767 . 1 . 1 65 65 LYS CG C 13 24.92 0.05 . 1 . . . . A 65 LYS CG . 34613 1 768 . 1 . 1 65 65 LYS CD C 13 28.97 0.05 . 1 . . . . A 65 LYS CD . 34613 1 769 . 1 . 1 65 65 LYS CE C 13 41.60 0.05 . 1 . . . . A 65 LYS CE . 34613 1 770 . 1 . 1 65 65 LYS N N 15 120.01 0.05 . 1 . . . . A 65 LYS N . 34613 1 771 . 1 . 1 66 66 ALA H H 1 8.23 0.02 . 1 . . . . A 66 ALA H . 34613 1 772 . 1 . 1 66 66 ALA HA H 1 3.94 0.02 . 1 . . . . A 66 ALA HA . 34613 1 773 . 1 . 1 66 66 ALA HB1 H 1 1.40 0.02 . 1 . . . . A 66 ALA HB1 . 34613 1 774 . 1 . 1 66 66 ALA HB2 H 1 1.40 0.02 . 1 . . . . A 66 ALA HB2 . 34613 1 775 . 1 . 1 66 66 ALA HB3 H 1 1.40 0.02 . 1 . . . . A 66 ALA HB3 . 34613 1 776 . 1 . 1 66 66 ALA C C 13 179.34 0.05 . 1 . . . . A 66 ALA C . 34613 1 777 . 1 . 1 66 66 ALA CA C 13 55.14 0.05 . 1 . . . . A 66 ALA CA . 34613 1 778 . 1 . 1 66 66 ALA CB C 13 17.66 0.05 . 1 . . . . A 66 ALA CB . 34613 1 779 . 1 . 1 66 66 ALA N N 15 122.38 0.05 . 1 . . . . A 66 ALA N . 34613 1 780 . 1 . 1 67 67 LEU H H 1 8.19 0.02 . 1 . . . . A 67 LEU H . 34613 1 781 . 1 . 1 67 67 LEU HA H 1 4.03 0.02 . 1 . . . . A 67 LEU HA . 34613 1 782 . 1 . 1 67 67 LEU HB2 H 1 2.02 0.02 . 1 . . . . A 67 LEU HB2 . 34613 1 783 . 1 . 1 67 67 LEU HB3 H 1 1.67 0.02 . 1 . . . . A 67 LEU HB3 . 34613 1 784 . 1 . 1 67 67 LEU HG H 1 1.88 0.02 . 1 . . . . A 67 LEU HG . 34613 1 785 . 1 . 1 67 67 LEU HD11 H 1 0.74 0.02 . 1 . . . . A 67 LEU HD11 . 34613 1 786 . 1 . 1 67 67 LEU HD12 H 1 0.74 0.02 . 1 . . . . A 67 LEU HD12 . 34613 1 787 . 1 . 1 67 67 LEU HD13 H 1 0.74 0.02 . 1 . . . . A 67 LEU HD13 . 34613 1 788 . 1 . 1 67 67 LEU HD21 H 1 0.51 0.02 . 1 . . . . A 67 LEU HD21 . 34613 1 789 . 1 . 1 67 67 LEU HD22 H 1 0.51 0.02 . 1 . . . . A 67 LEU HD22 . 34613 1 790 . 1 . 1 67 67 LEU HD23 H 1 0.51 0.02 . 1 . . . . A 67 LEU HD23 . 34613 1 791 . 1 . 1 67 67 LEU C C 13 178.96 0.05 . 1 . . . . A 67 LEU C . 34613 1 792 . 1 . 1 67 67 LEU CA C 13 58.46 0.05 . 1 . . . . A 67 LEU CA . 34613 1 793 . 1 . 1 67 67 LEU CB C 13 41.23 0.05 . 1 . . . . A 67 LEU CB . 34613 1 794 . 1 . 1 67 67 LEU CG C 13 26.64 0.05 . 1 . . . . A 67 LEU CG . 34613 1 795 . 1 . 1 67 67 LEU CD1 C 13 25.50 0.05 . 1 . . . . A 67 LEU CD1 . 34613 1 796 . 1 . 1 67 67 LEU CD2 C 13 24.07 0.05 . 1 . . . . A 67 LEU CD2 . 34613 1 797 . 1 . 1 67 67 LEU N N 15 116.86 0.05 . 1 . . . . A 67 LEU N . 34613 1 798 . 1 . 1 68 68 GLU H H 1 7.56 0.02 . 1 . . . . A 68 GLU H . 34613 1 799 . 1 . 1 68 68 GLU HA H 1 4.16 0.02 . 1 . . . . A 68 GLU HA . 34613 1 800 . 1 . 1 68 68 GLU HB2 H 1 2.21 0.02 . 1 . . . . A 68 GLU HB2 . 34613 1 801 . 1 . 1 68 68 GLU HB3 H 1 1.86 0.02 . 1 . . . . A 68 GLU HB3 . 34613 1 802 . 1 . 1 68 68 GLU HG2 H 1 2.54 0.02 . 1 . . . . A 68 GLU HG2 . 34613 1 803 . 1 . 1 68 68 GLU HG3 H 1 2.51 0.02 . 1 . . . . A 68 GLU HG3 . 34613 1 804 . 1 . 1 68 68 GLU C C 13 179.78 0.05 . 1 . . . . A 68 GLU C . 34613 1 805 . 1 . 1 68 68 GLU CA C 13 59.40 0.05 . 1 . . . . A 68 GLU CA . 34613 1 806 . 1 . 1 68 68 GLU CB C 13 29.67 0.05 . 1 . . . . A 68 GLU CB . 34613 1 807 . 1 . 1 68 68 GLU CG C 13 36.34 0.05 . 1 . . . . A 68 GLU CG . 34613 1 808 . 1 . 1 68 68 GLU N N 15 118.14 0.05 . 1 . . . . A 68 GLU N . 34613 1 809 . 1 . 1 69 69 GLN H H 1 8.34 0.02 . 1 . . . . A 69 GLN H . 34613 1 810 . 1 . 1 69 69 GLN HA H 1 4.11 0.02 . 1 . . . . A 69 GLN HA . 34613 1 811 . 1 . 1 69 69 GLN HB2 H 1 2.67 0.02 . 1 . . . . A 69 GLN HB2 . 34613 1 812 . 1 . 1 69 69 GLN HB3 H 1 1.97 0.02 . 1 . . . . A 69 GLN HB3 . 34613 1 813 . 1 . 1 69 69 GLN HG2 H 1 2.65 0.02 . 1 . . . . A 69 GLN HG2 . 34613 1 814 . 1 . 1 69 69 GLN HG3 H 1 2.61 0.02 . 1 . . . . A 69 GLN HG3 . 34613 1 815 . 1 . 1 69 69 GLN HE21 H 1 7.32 0.02 . 1 . . . . A 69 GLN HE21 . 34613 1 816 . 1 . 1 69 69 GLN HE22 H 1 6.72 0.02 . 1 . . . . A 69 GLN HE22 . 34613 1 817 . 1 . 1 69 69 GLN C C 13 179.01 0.05 . 1 . . . . A 69 GLN C . 34613 1 818 . 1 . 1 69 69 GLN CA C 13 59.26 0.05 . 1 . . . . A 69 GLN CA . 34613 1 819 . 1 . 1 69 69 GLN CB C 13 28.63 0.05 . 1 . . . . A 69 GLN CB . 34613 1 820 . 1 . 1 69 69 GLN CG C 13 34.48 0.05 . 1 . . . . A 69 GLN CG . 34613 1 821 . 1 . 1 69 69 GLN N N 15 120.10 0.05 . 1 . . . . A 69 GLN N . 34613 1 822 . 1 . 1 69 69 GLN NE2 N 15 108.77 0.05 . 1 . . . . A 69 GLN NE2 . 34613 1 823 . 1 . 1 70 70 ILE H H 1 8.48 0.02 . 1 . . . . A 70 ILE H . 34613 1 824 . 1 . 1 70 70 ILE HA H 1 3.42 0.02 . 1 . . . . A 70 ILE HA . 34613 1 825 . 1 . 1 70 70 ILE HB H 1 2.05 0.02 . 1 . . . . A 70 ILE HB . 34613 1 826 . 1 . 1 70 70 ILE C C 13 177.46 0.05 . 1 . . . . A 70 ILE C . 34613 1 827 . 1 . 1 70 70 ILE CA C 13 65.72 0.05 . 1 . . . . A 70 ILE CA . 34613 1 828 . 1 . 1 70 70 ILE CB C 13 37.30 0.05 . 1 . . . . A 70 ILE CB . 34613 1 829 . 1 . 1 70 70 ILE N N 15 119.82 0.05 . 1 . . . . A 70 ILE N . 34613 1 830 . 1 . 1 71 71 ARG H H 1 7.90 0.02 . 1 . . . . A 71 ARG H . 34613 1 831 . 1 . 1 71 71 ARG HA H 1 4.34 0.02 . 1 . . . . A 71 ARG HA . 34613 1 832 . 1 . 1 71 71 ARG HB2 H 1 2.02 0.02 . 1 . . . . A 71 ARG HB2 . 34613 1 833 . 1 . 1 71 71 ARG HB3 H 1 1.92 0.02 . 1 . . . . A 71 ARG HB3 . 34613 1 834 . 1 . 1 71 71 ARG HG2 H 1 1.90 0.02 . 1 . . . . A 71 ARG HG2 . 34613 1 835 . 1 . 1 71 71 ARG HG3 H 1 1.90 0.02 . 1 . . . . A 71 ARG HG3 . 34613 1 836 . 1 . 1 71 71 ARG HD2 H 1 3.16 0.02 . 1 . . . . A 71 ARG HD2 . 34613 1 837 . 1 . 1 71 71 ARG HD3 H 1 3.13 0.02 . 1 . . . . A 71 ARG HD3 . 34613 1 838 . 1 . 1 71 71 ARG C C 13 179.57 0.05 . 1 . . . . A 71 ARG C . 34613 1 839 . 1 . 1 71 71 ARG CA C 13 58.65 0.05 . 1 . . . . A 71 ARG CA . 34613 1 840 . 1 . 1 71 71 ARG CB C 13 29.97 0.05 . 1 . . . . A 71 ARG CB . 34613 1 841 . 1 . 1 71 71 ARG CG C 13 27.28 0.05 . 1 . . . . A 71 ARG CG . 34613 1 842 . 1 . 1 71 71 ARG CD C 13 43.44 0.05 . 1 . . . . A 71 ARG CD . 34613 1 843 . 1 . 1 71 71 ARG N N 15 118.89 0.05 . 1 . . . . A 71 ARG N . 34613 1 844 . 1 . 1 72 72 LYS H H 1 7.82 0.02 . 1 . . . . A 72 LYS H . 34613 1 845 . 1 . 1 72 72 LYS HA H 1 4.16 0.02 . 1 . . . . A 72 LYS HA . 34613 1 846 . 1 . 1 72 72 LYS HB2 H 1 2.11 0.02 . 1 . . . . A 72 LYS HB2 . 34613 1 847 . 1 . 1 72 72 LYS HB3 H 1 2.06 0.02 . 1 . . . . A 72 LYS HB3 . 34613 1 848 . 1 . 1 72 72 LYS HG2 H 1 1.61 0.02 . 1 . . . . A 72 LYS HG2 . 34613 1 849 . 1 . 1 72 72 LYS HG3 H 1 1.61 0.02 . 1 . . . . A 72 LYS HG3 . 34613 1 850 . 1 . 1 72 72 LYS HE2 H 1 3.12 0.02 . 1 . . . . A 72 LYS HE2 . 34613 1 851 . 1 . 1 72 72 LYS HE3 H 1 3.12 0.02 . 1 . . . . A 72 LYS HE3 . 34613 1 852 . 1 . 1 72 72 LYS C C 13 178.45 0.05 . 1 . . . . A 72 LYS C . 34613 1 853 . 1 . 1 72 72 LYS CA C 13 59.69 0.05 . 1 . . . . A 72 LYS CA . 34613 1 854 . 1 . 1 72 72 LYS CB C 13 32.51 0.05 . 1 . . . . A 72 LYS CB . 34613 1 855 . 1 . 1 72 72 LYS CG C 13 25.00 0.05 . 1 . . . . A 72 LYS CG . 34613 1 856 . 1 . 1 72 72 LYS CD C 13 29.09 0.05 . 1 . . . . A 72 LYS CD . 34613 1 857 . 1 . 1 72 72 LYS CE C 13 41.87 0.05 . 1 . . . . A 72 LYS CE . 34613 1 858 . 1 . 1 72 72 LYS N N 15 121.82 0.05 . 1 . . . . A 72 LYS N . 34613 1 859 . 1 . 1 73 73 ILE H H 1 8.04 0.02 . 1 . . . . A 73 ILE H . 34613 1 860 . 1 . 1 73 73 ILE HA H 1 3.93 0.02 . 1 . . . . A 73 ILE HA . 34613 1 861 . 1 . 1 73 73 ILE HB H 1 1.87 0.02 . 1 . . . . A 73 ILE HB . 34613 1 862 . 1 . 1 73 73 ILE C C 13 178.56 0.05 . 1 . . . . A 73 ILE C . 34613 1 863 . 1 . 1 73 73 ILE CA C 13 65.33 0.05 . 1 . . . . A 73 ILE CA . 34613 1 864 . 1 . 1 73 73 ILE CB C 13 37.94 0.05 . 1 . . . . A 73 ILE CB . 34613 1 865 . 1 . 1 73 73 ILE N N 15 119.33 0.05 . 1 . . . . A 73 ILE N . 34613 1 866 . 1 . 1 74 74 GLN H H 1 8.88 0.02 . 1 . . . . A 74 GLN H . 34613 1 867 . 1 . 1 74 74 GLN HA H 1 3.84 0.02 . 1 . . . . A 74 GLN HA . 34613 1 868 . 1 . 1 74 74 GLN HB2 H 1 2.39 0.02 . 1 . . . . A 74 GLN HB2 . 34613 1 869 . 1 . 1 74 74 GLN HB3 H 1 2.16 0.02 . 1 . . . . A 74 GLN HB3 . 34613 1 870 . 1 . 1 74 74 GLN HG2 H 1 2.57 0.02 . 1 . . . . A 74 GLN HG2 . 34613 1 871 . 1 . 1 74 74 GLN HG3 H 1 2.32 0.02 . 1 . . . . A 74 GLN HG3 . 34613 1 872 . 1 . 1 74 74 GLN HE21 H 1 7.24 0.02 . 1 . . . . A 74 GLN HE21 . 34613 1 873 . 1 . 1 74 74 GLN HE22 H 1 6.86 0.02 . 1 . . . . A 74 GLN HE22 . 34613 1 874 . 1 . 1 74 74 GLN C C 13 178.44 0.05 . 1 . . . . A 74 GLN C . 34613 1 875 . 1 . 1 74 74 GLN CA C 13 60.46 0.05 . 1 . . . . A 74 GLN CA . 34613 1 876 . 1 . 1 74 74 GLN CB C 13 29.65 0.05 . 1 . . . . A 74 GLN CB . 34613 1 877 . 1 . 1 74 74 GLN CG C 13 35.94 0.05 . 1 . . . . A 74 GLN CG . 34613 1 878 . 1 . 1 74 74 GLN N N 15 119.07 0.05 . 1 . . . . A 74 GLN N . 34613 1 879 . 1 . 1 74 74 GLN NE2 N 15 109.14 0.05 . 1 . . . . A 74 GLN NE2 . 34613 1 880 . 1 . 1 75 75 ALA H H 1 8.03 0.02 . 1 . . . . A 75 ALA H . 34613 1 881 . 1 . 1 75 75 ALA HA H 1 4.31 0.02 . 1 . . . . A 75 ALA HA . 34613 1 882 . 1 . 1 75 75 ALA HB1 H 1 1.66 0.02 . 1 . . . . A 75 ALA HB1 . 34613 1 883 . 1 . 1 75 75 ALA HB2 H 1 1.66 0.02 . 1 . . . . A 75 ALA HB2 . 34613 1 884 . 1 . 1 75 75 ALA HB3 H 1 1.66 0.02 . 1 . . . . A 75 ALA HB3 . 34613 1 885 . 1 . 1 75 75 ALA C C 13 181.19 0.05 . 1 . . . . A 75 ALA C . 34613 1 886 . 1 . 1 75 75 ALA CA C 13 55.18 0.05 . 1 . . . . A 75 ALA CA . 34613 1 887 . 1 . 1 75 75 ALA CB C 13 17.71 0.05 . 1 . . . . A 75 ALA CB . 34613 1 888 . 1 . 1 75 75 ALA N N 15 122.74 0.05 . 1 . . . . A 75 ALA N . 34613 1 889 . 1 . 1 76 76 ASP H H 1 8.40 0.02 . 1 . . . . A 76 ASP H . 34613 1 890 . 1 . 1 76 76 ASP HA H 1 4.58 0.02 . 1 . . . . A 76 ASP HA . 34613 1 891 . 1 . 1 76 76 ASP HB2 H 1 3.27 0.02 . 1 . . . . A 76 ASP HB2 . 34613 1 892 . 1 . 1 76 76 ASP HB3 H 1 2.76 0.02 . 1 . . . . A 76 ASP HB3 . 34613 1 893 . 1 . 1 76 76 ASP C C 13 179.41 0.05 . 1 . . . . A 76 ASP C . 34613 1 894 . 1 . 1 76 76 ASP CA C 13 56.57 0.05 . 1 . . . . A 76 ASP CA . 34613 1 895 . 1 . 1 76 76 ASP CB C 13 39.42 0.05 . 1 . . . . A 76 ASP CB . 34613 1 896 . 1 . 1 76 76 ASP N N 15 120.87 0.05 . 1 . . . . A 76 ASP N . 34613 1 897 . 1 . 1 77 77 ALA H H 1 9.11 0.02 . 1 . . . . A 77 ALA H . 34613 1 898 . 1 . 1 77 77 ALA HA H 1 4.12 0.02 . 1 . . . . A 77 ALA HA . 34613 1 899 . 1 . 1 77 77 ALA HB1 H 1 1.59 0.02 . 1 . . . . A 77 ALA HB1 . 34613 1 900 . 1 . 1 77 77 ALA HB2 H 1 1.59 0.02 . 1 . . . . A 77 ALA HB2 . 34613 1 901 . 1 . 1 77 77 ALA HB3 H 1 1.59 0.02 . 1 . . . . A 77 ALA HB3 . 34613 1 902 . 1 . 1 77 77 ALA C C 13 178.61 0.05 . 1 . . . . A 77 ALA C . 34613 1 903 . 1 . 1 77 77 ALA CA C 13 55.51 0.05 . 1 . . . . A 77 ALA CA . 34613 1 904 . 1 . 1 77 77 ALA CB C 13 17.75 0.05 . 1 . . . . A 77 ALA CB . 34613 1 905 . 1 . 1 77 77 ALA N N 15 125.85 0.05 . 1 . . . . A 77 ALA N . 34613 1 906 . 1 . 1 78 78 ALA H H 1 8.37 0.02 . 1 . . . . A 78 ALA H . 34613 1 907 . 1 . 1 78 78 ALA HA H 1 4.22 0.02 . 1 . . . . A 78 ALA HA . 34613 1 908 . 1 . 1 78 78 ALA HB1 H 1 1.62 0.02 . 1 . . . . A 78 ALA HB1 . 34613 1 909 . 1 . 1 78 78 ALA HB2 H 1 1.62 0.02 . 1 . . . . A 78 ALA HB2 . 34613 1 910 . 1 . 1 78 78 ALA HB3 H 1 1.62 0.02 . 1 . . . . A 78 ALA HB3 . 34613 1 911 . 1 . 1 78 78 ALA C C 13 180.36 0.05 . 1 . . . . A 78 ALA C . 34613 1 912 . 1 . 1 78 78 ALA CA C 13 55.26 0.05 . 1 . . . . A 78 ALA CA . 34613 1 913 . 1 . 1 78 78 ALA CB C 13 18.23 0.05 . 1 . . . . A 78 ALA CB . 34613 1 914 . 1 . 1 78 78 ALA N N 15 121.80 0.05 . 1 . . . . A 78 ALA N . 34613 1 915 . 1 . 1 79 79 ALA H H 1 8.02 0.02 . 1 . . . . A 79 ALA H . 34613 1 916 . 1 . 1 79 79 ALA HA H 1 4.31 0.02 . 1 . . . . A 79 ALA HA . 34613 1 917 . 1 . 1 79 79 ALA HB1 H 1 1.65 0.02 . 1 . . . . A 79 ALA HB1 . 34613 1 918 . 1 . 1 79 79 ALA HB2 H 1 1.65 0.02 . 1 . . . . A 79 ALA HB2 . 34613 1 919 . 1 . 1 79 79 ALA HB3 H 1 1.65 0.02 . 1 . . . . A 79 ALA HB3 . 34613 1 920 . 1 . 1 79 79 ALA C C 13 180.91 0.05 . 1 . . . . A 79 ALA C . 34613 1 921 . 1 . 1 79 79 ALA CA C 13 54.94 0.05 . 1 . . . . A 79 ALA CA . 34613 1 922 . 1 . 1 79 79 ALA CB C 13 18.21 0.05 . 1 . . . . A 79 ALA CB . 34613 1 923 . 1 . 1 79 79 ALA N N 15 120.22 0.05 . 1 . . . . A 79 ALA N . 34613 1 924 . 1 . 1 80 80 LEU H H 1 7.91 0.02 . 1 . . . . A 80 LEU H . 34613 1 925 . 1 . 1 80 80 LEU HA H 1 4.14 0.02 . 1 . . . . A 80 LEU HA . 34613 1 926 . 1 . 1 80 80 LEU HB2 H 1 2.16 0.02 . 1 . . . . A 80 LEU HB2 . 34613 1 927 . 1 . 1 80 80 LEU HB3 H 1 1.72 0.02 . 1 . . . . A 80 LEU HB3 . 34613 1 928 . 1 . 1 80 80 LEU HD11 H 1 1.02 0.02 . 1 . . . . A 80 LEU HD11 . 34613 1 929 . 1 . 1 80 80 LEU HD12 H 1 1.02 0.02 . 1 . . . . A 80 LEU HD12 . 34613 1 930 . 1 . 1 80 80 LEU HD13 H 1 1.02 0.02 . 1 . . . . A 80 LEU HD13 . 34613 1 931 . 1 . 1 80 80 LEU HD21 H 1 1.03 0.02 . 1 . . . . A 80 LEU HD21 . 34613 1 932 . 1 . 1 80 80 LEU HD22 H 1 1.03 0.02 . 1 . . . . A 80 LEU HD22 . 34613 1 933 . 1 . 1 80 80 LEU HD23 H 1 1.03 0.02 . 1 . . . . A 80 LEU HD23 . 34613 1 934 . 1 . 1 80 80 LEU C C 13 178.02 0.05 . 1 . . . . A 80 LEU C . 34613 1 935 . 1 . 1 80 80 LEU CA C 13 58.21 0.05 . 1 . . . . A 80 LEU CA . 34613 1 936 . 1 . 1 80 80 LEU CB C 13 41.78 0.05 . 1 . . . . A 80 LEU CB . 34613 1 937 . 1 . 1 80 80 LEU CG C 13 27.26 0.05 . 1 . . . . A 80 LEU CG . 34613 1 938 . 1 . 1 80 80 LEU CD1 C 13 24.28 0.05 . 1 . . . . A 80 LEU CD1 . 34613 1 939 . 1 . 1 80 80 LEU CD2 C 13 26.02 0.05 . 1 . . . . A 80 LEU CD2 . 34613 1 940 . 1 . 1 80 80 LEU N N 15 119.80 0.05 . 1 . . . . A 80 LEU N . 34613 1 941 . 1 . 1 81 81 ARG H H 1 8.50 0.02 . 1 . . . . A 81 ARG H . 34613 1 942 . 1 . 1 81 81 ARG HA H 1 3.88 0.02 . 1 . . . . A 81 ARG HA . 34613 1 943 . 1 . 1 81 81 ARG HB2 H 1 2.24 0.02 . 1 . . . . A 81 ARG HB2 . 34613 1 944 . 1 . 1 81 81 ARG HB3 H 1 2.00 0.02 . 1 . . . . A 81 ARG HB3 . 34613 1 945 . 1 . 1 81 81 ARG HG2 H 1 1.90 0.02 . 1 . . . . A 81 ARG HG2 . 34613 1 946 . 1 . 1 81 81 ARG HG3 H 1 1.79 0.02 . 1 . . . . A 81 ARG HG3 . 34613 1 947 . 1 . 1 81 81 ARG HD2 H 1 3.35 0.02 . 1 . . . . A 81 ARG HD2 . 34613 1 948 . 1 . 1 81 81 ARG HD3 H 1 3.25 0.02 . 1 . . . . A 81 ARG HD3 . 34613 1 949 . 1 . 1 81 81 ARG C C 13 178.37 0.05 . 1 . . . . A 81 ARG C . 34613 1 950 . 1 . 1 81 81 ARG CA C 13 60.87 0.05 . 1 . . . . A 81 ARG CA . 34613 1 951 . 1 . 1 81 81 ARG CB C 13 29.38 0.05 . 1 . . . . A 81 ARG CB . 34613 1 952 . 1 . 1 81 81 ARG CG C 13 27.10 0.05 . 1 . . . . A 81 ARG CG . 34613 1 953 . 1 . 1 81 81 ARG CD C 13 42.88 0.05 . 1 . . . . A 81 ARG CD . 34613 1 954 . 1 . 1 81 81 ARG N N 15 119.33 0.05 . 1 . . . . A 81 ARG N . 34613 1 955 . 1 . 1 82 82 GLU H H 1 8.30 0.02 . 1 . . . . A 82 GLU H . 34613 1 956 . 1 . 1 82 82 GLU HA H 1 4.14 0.02 . 1 . . . . A 82 GLU HA . 34613 1 957 . 1 . 1 82 82 GLU HB2 H 1 2.25 0.02 . 1 . . . . A 82 GLU HB2 . 34613 1 958 . 1 . 1 82 82 GLU HB3 H 1 2.25 0.02 . 1 . . . . A 82 GLU HB3 . 34613 1 959 . 1 . 1 82 82 GLU HG2 H 1 2.53 0.02 . 1 . . . . A 82 GLU HG2 . 34613 1 960 . 1 . 1 82 82 GLU HG3 H 1 2.53 0.02 . 1 . . . . A 82 GLU HG3 . 34613 1 961 . 1 . 1 82 82 GLU C C 13 179.56 0.05 . 1 . . . . A 82 GLU C . 34613 1 962 . 1 . 1 82 82 GLU CA C 13 59.57 0.05 . 1 . . . . A 82 GLU CA . 34613 1 963 . 1 . 1 82 82 GLU CB C 13 29.69 0.05 . 1 . . . . A 82 GLU CB . 34613 1 964 . 1 . 1 82 82 GLU CG C 13 36.40 0.05 . 1 . . . . A 82 GLU CG . 34613 1 965 . 1 . 1 82 82 GLU N N 15 117.90 0.05 . 1 . . . . A 82 GLU N . 34613 1 966 . 1 . 1 83 83 LYS H H 1 7.99 0.02 . 1 . . . . A 83 LYS H . 34613 1 967 . 1 . 1 83 83 LYS HA H 1 4.31 0.02 . 1 . . . . A 83 LYS HA . 34613 1 968 . 1 . 1 83 83 LYS HB2 H 1 2.31 0.02 . 1 . . . . A 83 LYS HB2 . 34613 1 969 . 1 . 1 83 83 LYS HB3 H 1 2.06 0.02 . 1 . . . . A 83 LYS HB3 . 34613 1 970 . 1 . 1 83 83 LYS HG2 H 1 1.69 0.02 . 1 . . . . A 83 LYS HG2 . 34613 1 971 . 1 . 1 83 83 LYS HG3 H 1 1.69 0.02 . 1 . . . . A 83 LYS HG3 . 34613 1 972 . 1 . 1 83 83 LYS HD2 H 1 1.84 0.02 . 1 . . . . A 83 LYS HD2 . 34613 1 973 . 1 . 1 83 83 LYS HD3 H 1 1.84 0.02 . 1 . . . . A 83 LYS HD3 . 34613 1 974 . 1 . 1 83 83 LYS HE2 H 1 3.12 0.02 . 1 . . . . A 83 LYS HE2 . 34613 1 975 . 1 . 1 83 83 LYS HE3 H 1 3.12 0.02 . 1 . . . . A 83 LYS HE3 . 34613 1 976 . 1 . 1 83 83 LYS C C 13 180.08 0.05 . 1 . . . . A 83 LYS C . 34613 1 977 . 1 . 1 83 83 LYS CA C 13 59.00 0.05 . 1 . . . . A 83 LYS CA . 34613 1 978 . 1 . 1 83 83 LYS CB C 13 32.59 0.05 . 1 . . . . A 83 LYS CB . 34613 1 979 . 1 . 1 83 83 LYS CG C 13 25.32 0.05 . 1 . . . . A 83 LYS CG . 34613 1 980 . 1 . 1 83 83 LYS CD C 13 29.30 0.05 . 1 . . . . A 83 LYS CD . 34613 1 981 . 1 . 1 83 83 LYS CE C 13 41.74 0.05 . 1 . . . . A 83 LYS CE . 34613 1 982 . 1 . 1 83 83 LYS N N 15 119.66 0.05 . 1 . . . . A 83 LYS N . 34613 1 983 . 1 . 1 84 84 LEU H H 1 8.70 0.02 . 1 . . . . A 84 LEU H . 34613 1 984 . 1 . 1 84 84 LEU HA H 1 4.21 0.02 . 1 . . . . A 84 LEU HA . 34613 1 985 . 1 . 1 84 84 LEU HB2 H 1 1.76 0.02 . 1 . . . . A 84 LEU HB2 . 34613 1 986 . 1 . 1 84 84 LEU HB3 H 1 2.07 0.02 . 1 . . . . A 84 LEU HB3 . 34613 1 987 . 1 . 1 84 84 LEU HG H 1 1.79 0.02 . 1 . . . . A 84 LEU HG . 34613 1 988 . 1 . 1 84 84 LEU HD11 H 1 0.89 0.02 . 1 . . . . A 84 LEU HD11 . 34613 1 989 . 1 . 1 84 84 LEU HD12 H 1 0.89 0.02 . 1 . . . . A 84 LEU HD12 . 34613 1 990 . 1 . 1 84 84 LEU HD13 H 1 0.89 0.02 . 1 . . . . A 84 LEU HD13 . 34613 1 991 . 1 . 1 84 84 LEU HD21 H 1 0.99 0.02 . 1 . . . . A 84 LEU HD21 . 34613 1 992 . 1 . 1 84 84 LEU HD22 H 1 0.99 0.02 . 1 . . . . A 84 LEU HD22 . 34613 1 993 . 1 . 1 84 84 LEU HD23 H 1 0.99 0.02 . 1 . . . . A 84 LEU HD23 . 34613 1 994 . 1 . 1 84 84 LEU C C 13 178.74 0.05 . 1 . . . . A 84 LEU C . 34613 1 995 . 1 . 1 84 84 LEU CA C 13 58.00 0.05 . 1 . . . . A 84 LEU CA . 34613 1 996 . 1 . 1 84 84 LEU CB C 13 42.76 0.05 . 1 . . . . A 84 LEU CB . 34613 1 997 . 1 . 1 84 84 LEU CG C 13 27.14 0.05 . 1 . . . . A 84 LEU CG . 34613 1 998 . 1 . 1 84 84 LEU CD1 C 13 26.36 0.05 . 1 . . . . A 84 LEU CD1 . 34613 1 999 . 1 . 1 84 84 LEU CD2 C 13 24.04 0.05 . 1 . . . . A 84 LEU CD2 . 34613 1 1000 . 1 . 1 84 84 LEU N N 15 120.78 0.05 . 1 . . . . A 84 LEU N . 34613 1 1001 . 1 . 1 85 85 ALA H H 1 8.30 0.02 . 1 . . . . A 85 ALA H . 34613 1 1002 . 1 . 1 85 85 ALA HA H 1 4.23 0.02 . 1 . . . . A 85 ALA HA . 34613 1 1003 . 1 . 1 85 85 ALA HB1 H 1 1.60 0.02 . 1 . . . . A 85 ALA HB1 . 34613 1 1004 . 1 . 1 85 85 ALA HB2 H 1 1.60 0.02 . 1 . . . . A 85 ALA HB2 . 34613 1 1005 . 1 . 1 85 85 ALA HB3 H 1 1.60 0.02 . 1 . . . . A 85 ALA HB3 . 34613 1 1006 . 1 . 1 85 85 ALA C C 13 179.05 0.05 . 1 . . . . A 85 ALA C . 34613 1 1007 . 1 . 1 85 85 ALA CA C 13 54.63 0.05 . 1 . . . . A 85 ALA CA . 34613 1 1008 . 1 . 1 85 85 ALA CB C 13 18.33 0.05 . 1 . . . . A 85 ALA CB . 34613 1 1009 . 1 . 1 85 85 ALA N N 15 120.61 0.05 . 1 . . . . A 85 ALA N . 34613 1 1010 . 1 . 1 86 86 ALA H H 1 7.73 0.02 . 1 . . . . A 86 ALA H . 34613 1 1011 . 1 . 1 86 86 ALA HA H 1 4.47 0.02 . 1 . . . . A 86 ALA HA . 34613 1 1012 . 1 . 1 86 86 ALA HB1 H 1 1.66 0.02 . 1 . . . . A 86 ALA HB1 . 34613 1 1013 . 1 . 1 86 86 ALA HB2 H 1 1.66 0.02 . 1 . . . . A 86 ALA HB2 . 34613 1 1014 . 1 . 1 86 86 ALA HB3 H 1 1.66 0.02 . 1 . . . . A 86 ALA HB3 . 34613 1 1015 . 1 . 1 86 86 ALA C C 13 179.16 0.05 . 1 . . . . A 86 ALA C . 34613 1 1016 . 1 . 1 86 86 ALA CA C 13 53.75 0.05 . 1 . . . . A 86 ALA CA . 34613 1 1017 . 1 . 1 86 86 ALA CB C 13 19.34 0.05 . 1 . . . . A 86 ALA CB . 34613 1 1018 . 1 . 1 86 86 ALA N N 15 117.56 0.05 . 1 . . . . A 86 ALA N . 34613 1 1019 . 1 . 1 87 87 THR H H 1 7.80 0.02 . 1 . . . . A 87 THR H . 34613 1 1020 . 1 . 1 87 87 THR HA H 1 4.37 0.02 . 1 . . . . A 87 THR HA . 34613 1 1021 . 1 . 1 87 87 THR HB H 1 4.15 0.02 . 1 . . . . A 87 THR HB . 34613 1 1022 . 1 . 1 87 87 THR HG21 H 1 1.08 0.02 . 1 . . . . A 87 THR HG21 . 34613 1 1023 . 1 . 1 87 87 THR HG22 H 1 1.08 0.02 . 1 . . . . A 87 THR HG22 . 34613 1 1024 . 1 . 1 87 87 THR HG23 H 1 1.08 0.02 . 1 . . . . A 87 THR HG23 . 34613 1 1025 . 1 . 1 87 87 THR C C 13 174.88 0.05 . 1 . . . . A 87 THR C . 34613 1 1026 . 1 . 1 87 87 THR CA C 13 63.89 0.05 . 1 . . . . A 87 THR CA . 34613 1 1027 . 1 . 1 87 87 THR CB C 13 70.34 0.05 . 1 . . . . A 87 THR CB . 34613 1 1028 . 1 . 1 87 87 THR CG2 C 13 21.43 0.05 . 1 . . . . A 87 THR CG2 . 34613 1 1029 . 1 . 1 87 87 THR N N 15 110.92 0.05 . 1 . . . . A 87 THR N . 34613 1 1030 . 1 . 1 88 88 TYR H H 1 7.89 0.02 . 1 . . . . A 88 TYR H . 34613 1 1031 . 1 . 1 88 88 TYR HA H 1 4.77 0.02 . 1 . . . . A 88 TYR HA . 34613 1 1032 . 1 . 1 88 88 TYR HB2 H 1 3.27 0.02 . 1 . . . . A 88 TYR HB2 . 34613 1 1033 . 1 . 1 88 88 TYR HB3 H 1 3.05 0.02 . 1 . . . . A 88 TYR HB3 . 34613 1 1034 . 1 . 1 88 88 TYR HD1 H 1 7.29 0.02 . 1 . . . . A 88 TYR HD1 . 34613 1 1035 . 1 . 1 88 88 TYR HD2 H 1 7.29 0.02 . 1 . . . . A 88 TYR HD2 . 34613 1 1036 . 1 . 1 88 88 TYR HE1 H 1 6.90 0.02 . 1 . . . . A 88 TYR HE1 . 34613 1 1037 . 1 . 1 88 88 TYR HE2 H 1 6.90 0.02 . 1 . . . . A 88 TYR HE2 . 34613 1 1038 . 1 . 1 88 88 TYR CA C 13 58.53 0.05 . 1 . . . . A 88 TYR CA . 34613 1 1039 . 1 . 1 88 88 TYR CB C 13 38.43 0.05 . 1 . . . . A 88 TYR CB . 34613 1 1040 . 1 . 1 88 88 TYR CD1 C 13 132.79 0.05 . 1 . . . . A 88 TYR CD1 . 34613 1 1041 . 1 . 1 88 88 TYR CD2 C 13 132.79 0.05 . 1 . . . . A 88 TYR CD2 . 34613 1 1042 . 1 . 1 88 88 TYR CE1 C 13 118.38 0.05 . 1 . . . . A 88 TYR CE1 . 34613 1 1043 . 1 . 1 88 88 TYR CE2 C 13 118.38 0.05 . 1 . . . . A 88 TYR CE2 . 34613 1 1044 . 1 . 1 88 88 TYR N N 15 120.72 0.05 . 1 . . . . A 88 TYR N . 34613 1 1045 . 1 . 1 91 91 ASN HA H 1 4.99 0.02 . 1 . . . . A 91 ASN HA . 34613 1 1046 . 1 . 1 91 91 ASN HB2 H 1 3.15 0.02 . 1 . . . . A 91 ASN HB2 . 34613 1 1047 . 1 . 1 91 91 ASN HB3 H 1 2.95 0.02 . 1 . . . . A 91 ASN HB3 . 34613 1 1048 . 1 . 1 91 91 ASN HD21 H 1 7.88 0.02 . 1 . . . . A 91 ASN HD21 . 34613 1 1049 . 1 . 1 91 91 ASN HD22 H 1 7.06 0.02 . 1 . . . . A 91 ASN HD22 . 34613 1 1050 . 1 . 1 91 91 ASN CA C 13 52.86 0.05 . 1 . . . . A 91 ASN CA . 34613 1 1051 . 1 . 1 91 91 ASN CB C 13 39.59 0.05 . 1 . . . . A 91 ASN CB . 34613 1 1052 . 1 . 1 91 91 ASN ND2 N 15 112.58 0.05 . 1 . . . . A 91 ASN ND2 . 34613 1 1053 . 1 . 1 92 92 ASP HA H 1 4.59 0.02 . 1 . . . . A 92 ASP HA . 34613 1 1054 . 1 . 1 92 92 ASP HB2 H 1 2.86 0.02 . 1 . . . . A 92 ASP HB2 . 34613 1 1055 . 1 . 1 92 92 ASP HB3 H 1 2.86 0.02 . 1 . . . . A 92 ASP HB3 . 34613 1 1056 . 1 . 1 92 92 ASP CA C 13 56.86 0.05 . 1 . . . . A 92 ASP CA . 34613 1 1057 . 1 . 1 92 92 ASP CB C 13 41.01 0.05 . 1 . . . . A 92 ASP CB . 34613 1 1058 . 1 . 1 93 93 ARG HA H 1 4.34 0.02 . 1 . . . . A 93 ARG HA . 34613 1 1059 . 1 . 1 93 93 ARG HB2 H 1 2.01 0.02 . 1 . . . . A 93 ARG HB2 . 34613 1 1060 . 1 . 1 93 93 ARG HB3 H 1 2.01 0.02 . 1 . . . . A 93 ARG HB3 . 34613 1 1061 . 1 . 1 93 93 ARG HG2 H 1 1.79 0.02 . 1 . . . . A 93 ARG HG2 . 34613 1 1062 . 1 . 1 93 93 ARG HG3 H 1 1.79 0.02 . 1 . . . . A 93 ARG HG3 . 34613 1 1063 . 1 . 1 93 93 ARG HD2 H 1 3.13 0.02 . 1 . . . . A 93 ARG HD2 . 34613 1 1064 . 1 . 1 93 93 ARG HD3 H 1 3.13 0.02 . 1 . . . . A 93 ARG HD3 . 34613 1 1065 . 1 . 1 93 93 ARG C C 13 178.09 0.05 . 1 . . . . A 93 ARG C . 34613 1 1066 . 1 . 1 93 93 ARG CA C 13 58.23 0.05 . 1 . . . . A 93 ARG CA . 34613 1 1067 . 1 . 1 93 93 ARG CB C 13 29.95 0.05 . 1 . . . . A 93 ARG CB . 34613 1 1068 . 1 . 1 93 93 ARG CG C 13 27.54 0.05 . 1 . . . . A 93 ARG CG . 34613 1 1069 . 1 . 1 93 93 ARG CD C 13 43.31 0.05 . 1 . . . . A 93 ARG CD . 34613 1 1070 . 1 . 1 94 94 ALA H H 1 8.01 0.02 . 1 . . . . A 94 ALA H . 34613 1 1071 . 1 . 1 94 94 ALA HA H 1 4.39 0.02 . 1 . . . . A 94 ALA HA . 34613 1 1072 . 1 . 1 94 94 ALA HB1 H 1 1.51 0.02 . 1 . . . . A 94 ALA HB1 . 34613 1 1073 . 1 . 1 94 94 ALA HB2 H 1 1.51 0.02 . 1 . . . . A 94 ALA HB2 . 34613 1 1074 . 1 . 1 94 94 ALA HB3 H 1 1.51 0.02 . 1 . . . . A 94 ALA HB3 . 34613 1 1075 . 1 . 1 94 94 ALA C C 13 178.29 0.05 . 1 . . . . A 94 ALA C . 34613 1 1076 . 1 . 1 94 94 ALA CA C 13 54.15 0.05 . 1 . . . . A 94 ALA CA . 34613 1 1077 . 1 . 1 94 94 ALA CB C 13 18.89 0.05 . 1 . . . . A 94 ALA CB . 34613 1 1078 . 1 . 1 94 94 ALA N N 15 121.69 0.05 . 1 . . . . A 94 ALA N . 34613 1 1079 . 1 . 1 95 95 ALA H H 1 7.99 0.02 . 1 . . . . A 95 ALA H . 34613 1 1080 . 1 . 1 95 95 ALA HA H 1 4.29 0.02 . 1 . . . . A 95 ALA HA . 34613 1 1081 . 1 . 1 95 95 ALA HB1 H 1 1.63 0.02 . 1 . . . . A 95 ALA HB1 . 34613 1 1082 . 1 . 1 95 95 ALA HB2 H 1 1.63 0.02 . 1 . . . . A 95 ALA HB2 . 34613 1 1083 . 1 . 1 95 95 ALA HB3 H 1 1.63 0.02 . 1 . . . . A 95 ALA HB3 . 34613 1 1084 . 1 . 1 95 95 ALA CA C 13 55.21 0.05 . 1 . . . . A 95 ALA CA . 34613 1 1085 . 1 . 1 95 95 ALA CB C 13 18.14 0.05 . 1 . . . . A 95 ALA CB . 34613 1 1086 . 1 . 1 95 95 ALA N N 15 120.40 0.05 . 1 . . . . A 95 ALA N . 34613 1 1087 . 1 . 1 96 96 ALA HB1 H 1 1.57 0.02 . 1 . . . . A 96 ALA HB1 . 34613 1 1088 . 1 . 1 96 96 ALA HB2 H 1 1.57 0.02 . 1 . . . . A 96 ALA HB2 . 34613 1 1089 . 1 . 1 96 96 ALA HB3 H 1 1.57 0.02 . 1 . . . . A 96 ALA HB3 . 34613 1 1090 . 1 . 1 96 96 ALA C C 13 180.17 0.05 . 1 . . . . A 96 ALA C . 34613 1 1091 . 1 . 1 96 96 ALA CA C 13 54.86 0.05 . 1 . . . . A 96 ALA CA . 34613 1 1092 . 1 . 1 96 96 ALA CB C 13 18.16 0.05 . 1 . . . . A 96 ALA CB . 34613 1 1093 . 1 . 1 97 97 ALA H H 1 7.85 0.02 . 1 . . . . A 97 ALA H . 34613 1 1094 . 1 . 1 97 97 ALA HA H 1 4.16 0.02 . 1 . . . . A 97 ALA HA . 34613 1 1095 . 1 . 1 97 97 ALA HB1 H 1 1.61 0.02 . 1 . . . . A 97 ALA HB1 . 34613 1 1096 . 1 . 1 97 97 ALA HB2 H 1 1.61 0.02 . 1 . . . . A 97 ALA HB2 . 34613 1 1097 . 1 . 1 97 97 ALA HB3 H 1 1.61 0.02 . 1 . . . . A 97 ALA HB3 . 34613 1 1098 . 1 . 1 97 97 ALA C C 13 178.66 0.05 . 1 . . . . A 97 ALA C . 34613 1 1099 . 1 . 1 97 97 ALA CA C 13 54.88 0.05 . 1 . . . . A 97 ALA CA . 34613 1 1100 . 1 . 1 97 97 ALA CB C 13 19.48 0.05 . 1 . . . . A 97 ALA CB . 34613 1 1101 . 1 . 1 97 97 ALA N N 15 120.20 0.05 . 1 . . . . A 97 ALA N . 34613 1 1102 . 1 . 1 98 98 VAL H H 1 8.08 0.02 . 1 . . . . A 98 VAL H . 34613 1 1103 . 1 . 1 98 98 VAL HA H 1 3.57 0.02 . 1 . . . . A 98 VAL HA . 34613 1 1104 . 1 . 1 98 98 VAL HB H 1 2.34 0.02 . 1 . . . . A 98 VAL HB . 34613 1 1105 . 1 . 1 98 98 VAL HG11 H 1 1.08 0.02 . 1 . . . . A 98 VAL HG11 . 34613 1 1106 . 1 . 1 98 98 VAL HG12 H 1 1.08 0.02 . 1 . . . . A 98 VAL HG12 . 34613 1 1107 . 1 . 1 98 98 VAL HG13 H 1 1.08 0.02 . 1 . . . . A 98 VAL HG13 . 34613 1 1108 . 1 . 1 98 98 VAL HG21 H 1 1.19 0.02 . 1 . . . . A 98 VAL HG21 . 34613 1 1109 . 1 . 1 98 98 VAL HG22 H 1 1.19 0.02 . 1 . . . . A 98 VAL HG22 . 34613 1 1110 . 1 . 1 98 98 VAL HG23 H 1 1.19 0.02 . 1 . . . . A 98 VAL HG23 . 34613 1 1111 . 1 . 1 98 98 VAL C C 13 177.53 0.05 . 1 . . . . A 98 VAL C . 34613 1 1112 . 1 . 1 98 98 VAL CA C 13 67.03 0.05 . 1 . . . . A 98 VAL CA . 34613 1 1113 . 1 . 1 98 98 VAL CB C 13 31.86 0.05 . 1 . . . . A 98 VAL CB . 34613 1 1114 . 1 . 1 98 98 VAL CG1 C 13 21.28 0.05 . 1 . . . . A 98 VAL CG1 . 34613 1 1115 . 1 . 1 98 98 VAL CG2 C 13 23.70 0.05 . 1 . . . . A 98 VAL CG2 . 34613 1 1116 . 1 . 1 98 98 VAL N N 15 117.74 0.05 . 1 . . . . A 98 VAL N . 34613 1 1117 . 1 . 1 99 99 GLU H H 1 7.56 0.02 . 1 . . . . A 99 GLU H . 34613 1 1118 . 1 . 1 99 99 GLU HA H 1 4.15 0.02 . 1 . . . . A 99 GLU HA . 34613 1 1119 . 1 . 1 99 99 GLU HB2 H 1 2.26 0.02 . 1 . . . . A 99 GLU HB2 . 34613 1 1120 . 1 . 1 99 99 GLU HB3 H 1 2.26 0.02 . 1 . . . . A 99 GLU HB3 . 34613 1 1121 . 1 . 1 99 99 GLU HG2 H 1 2.38 0.02 . 1 . . . . A 99 GLU HG2 . 34613 1 1122 . 1 . 1 99 99 GLU HG3 H 1 2.38 0.02 . 1 . . . . A 99 GLU HG3 . 34613 1 1123 . 1 . 1 99 99 GLU C C 13 178.95 0.05 . 1 . . . . A 99 GLU C . 34613 1 1124 . 1 . 1 99 99 GLU CA C 13 59.38 0.05 . 1 . . . . A 99 GLU CA . 34613 1 1125 . 1 . 1 99 99 GLU CB C 13 29.63 0.05 . 1 . . . . A 99 GLU CB . 34613 1 1126 . 1 . 1 99 99 GLU CG C 13 36.29 0.05 . 1 . . . . A 99 GLU CG . 34613 1 1127 . 1 . 1 99 99 GLU N N 15 118.45 0.05 . 1 . . . . A 99 GLU N . 34613 1 1128 . 1 . 1 100 100 ILE H H 1 7.86 0.02 . 1 . . . . A 100 ILE H . 34613 1 1129 . 1 . 1 100 100 ILE HA H 1 3.93 0.02 . 1 . . . . A 100 ILE HA . 34613 1 1130 . 1 . 1 100 100 ILE HB H 1 2.05 0.02 . 1 . . . . A 100 ILE HB . 34613 1 1131 . 1 . 1 100 100 ILE C C 13 177.66 0.05 . 1 . . . . A 100 ILE C . 34613 1 1132 . 1 . 1 100 100 ILE CA C 13 65.32 0.05 . 1 . . . . A 100 ILE CA . 34613 1 1133 . 1 . 1 100 100 ILE CB C 13 37.91 0.05 . 1 . . . . A 100 ILE CB . 34613 1 1134 . 1 . 1 100 100 ILE N N 15 118.89 0.05 . 1 . . . . A 100 ILE N . 34613 1 1135 . 1 . 1 101 101 ALA H H 1 8.24 0.02 . 1 . . . . A 101 ALA H . 34613 1 1136 . 1 . 1 101 101 ALA HA H 1 3.94 0.02 . 1 . . . . A 101 ALA HA . 34613 1 1137 . 1 . 1 101 101 ALA HB1 H 1 1.56 0.02 . 1 . . . . A 101 ALA HB1 . 34613 1 1138 . 1 . 1 101 101 ALA HB2 H 1 1.56 0.02 . 1 . . . . A 101 ALA HB2 . 34613 1 1139 . 1 . 1 101 101 ALA HB3 H 1 1.56 0.02 . 1 . . . . A 101 ALA HB3 . 34613 1 1140 . 1 . 1 101 101 ALA C C 13 178.78 0.05 . 1 . . . . A 101 ALA C . 34613 1 1141 . 1 . 1 101 101 ALA CA C 13 55.76 0.05 . 1 . . . . A 101 ALA CA . 34613 1 1142 . 1 . 1 101 101 ALA CB C 13 17.57 0.05 . 1 . . . . A 101 ALA CB . 34613 1 1143 . 1 . 1 101 101 ALA N N 15 121.27 0.05 . 1 . . . . A 101 ALA N . 34613 1 1144 . 1 . 1 102 102 ALA H H 1 8.52 0.02 . 1 . . . . A 102 ALA H . 34613 1 1145 . 1 . 1 102 102 ALA HA H 1 4.39 0.02 . 1 . . . . A 102 ALA HA . 34613 1 1146 . 1 . 1 102 102 ALA HB1 H 1 1.64 0.02 . 1 . . . . A 102 ALA HB1 . 34613 1 1147 . 1 . 1 102 102 ALA HB2 H 1 1.64 0.02 . 1 . . . . A 102 ALA HB2 . 34613 1 1148 . 1 . 1 102 102 ALA HB3 H 1 1.64 0.02 . 1 . . . . A 102 ALA HB3 . 34613 1 1149 . 1 . 1 102 102 ALA C C 13 178.75 0.05 . 1 . . . . A 102 ALA C . 34613 1 1150 . 1 . 1 102 102 ALA CA C 13 55.24 0.05 . 1 . . . . A 102 ALA CA . 34613 1 1151 . 1 . 1 102 102 ALA CB C 13 18.27 0.05 . 1 . . . . A 102 ALA CB . 34613 1 1152 . 1 . 1 102 102 ALA N N 15 119.69 0.05 . 1 . . . . A 102 ALA N . 34613 1 1153 . 1 . 1 103 103 GLN H H 1 8.50 0.02 . 1 . . . . A 103 GLN H . 34613 1 1154 . 1 . 1 103 103 GLN HA H 1 4.23 0.02 . 1 . . . . A 103 GLN HA . 34613 1 1155 . 1 . 1 103 103 GLN HB2 H 1 2.66 0.02 . 1 . . . . A 103 GLN HB2 . 34613 1 1156 . 1 . 1 103 103 GLN HB3 H 1 2.52 0.02 . 1 . . . . A 103 GLN HB3 . 34613 1 1157 . 1 . 1 103 103 GLN HG2 H 1 2.91 0.02 . 1 . . . . A 103 GLN HG2 . 34613 1 1158 . 1 . 1 103 103 GLN HG3 H 1 2.65 0.02 . 1 . . . . A 103 GLN HG3 . 34613 1 1159 . 1 . 1 103 103 GLN HE21 H 1 7.60 0.02 . 1 . . . . A 103 GLN HE21 . 34613 1 1160 . 1 . 1 103 103 GLN HE22 H 1 6.87 0.02 . 1 . . . . A 103 GLN HE22 . 34613 1 1161 . 1 . 1 103 103 GLN C C 13 179.28 0.05 . 1 . . . . A 103 GLN C . 34613 1 1162 . 1 . 1 103 103 GLN CA C 13 59.24 0.05 . 1 . . . . A 103 GLN CA . 34613 1 1163 . 1 . 1 103 103 GLN CB C 13 28.03 0.05 . 1 . . . . A 103 GLN CB . 34613 1 1164 . 1 . 1 103 103 GLN CG C 13 34.43 0.05 . 1 . . . . A 103 GLN CG . 34613 1 1165 . 1 . 1 103 103 GLN N N 15 120.42 0.05 . 1 . . . . A 103 GLN N . 34613 1 1166 . 1 . 1 103 103 GLN NE2 N 15 111.10 0.05 . 1 . . . . A 103 GLN NE2 . 34613 1 1167 . 1 . 1 104 104 LEU H H 1 8.69 0.02 . 1 . . . . A 104 LEU H . 34613 1 1168 . 1 . 1 104 104 LEU HA H 1 3.51 0.02 . 1 . . . . A 104 LEU HA . 34613 1 1169 . 1 . 1 104 104 LEU HB2 H 1 2.19 0.02 . 1 . . . . A 104 LEU HB2 . 34613 1 1170 . 1 . 1 104 104 LEU HB3 H 1 1.30 0.02 . 1 . . . . A 104 LEU HB3 . 34613 1 1171 . 1 . 1 104 104 LEU HG H 1 1.45 0.02 . 1 . . . . A 104 LEU HG . 34613 1 1172 . 1 . 1 104 104 LEU HD11 H 1 0.74 0.02 . 1 . . . . A 104 LEU HD11 . 34613 1 1173 . 1 . 1 104 104 LEU HD12 H 1 0.74 0.02 . 1 . . . . A 104 LEU HD12 . 34613 1 1174 . 1 . 1 104 104 LEU HD13 H 1 0.74 0.02 . 1 . . . . A 104 LEU HD13 . 34613 1 1175 . 1 . 1 104 104 LEU HD21 H 1 0.96 0.02 . 1 . . . . A 104 LEU HD21 . 34613 1 1176 . 1 . 1 104 104 LEU HD22 H 1 0.96 0.02 . 1 . . . . A 104 LEU HD22 . 34613 1 1177 . 1 . 1 104 104 LEU HD23 H 1 0.96 0.02 . 1 . . . . A 104 LEU HD23 . 34613 1 1178 . 1 . 1 104 104 LEU C C 13 178.34 0.05 . 1 . . . . A 104 LEU C . 34613 1 1179 . 1 . 1 104 104 LEU CA C 13 57.96 0.05 . 1 . . . . A 104 LEU CA . 34613 1 1180 . 1 . 1 104 104 LEU CB C 13 41.11 0.05 . 1 . . . . A 104 LEU CB . 34613 1 1181 . 1 . 1 104 104 LEU CG C 13 27.44 0.05 . 1 . . . . A 104 LEU CG . 34613 1 1182 . 1 . 1 104 104 LEU CD1 C 13 22.56 0.05 . 1 . . . . A 104 LEU CD1 . 34613 1 1183 . 1 . 1 104 104 LEU CD2 C 13 26.80 0.05 . 1 . . . . A 104 LEU CD2 . 34613 1 1184 . 1 . 1 104 104 LEU N N 15 123.11 0.05 . 1 . . . . A 104 LEU N . 34613 1 1185 . 1 . 1 105 105 GLU H H 1 8.47 0.02 . 1 . . . . A 105 GLU H . 34613 1 1186 . 1 . 1 105 105 GLU HA H 1 3.86 0.02 . 1 . . . . A 105 GLU HA . 34613 1 1187 . 1 . 1 105 105 GLU HB2 H 1 2.34 0.02 . 1 . . . . A 105 GLU HB2 . 34613 1 1188 . 1 . 1 105 105 GLU HB3 H 1 2.27 0.02 . 1 . . . . A 105 GLU HB3 . 34613 1 1189 . 1 . 1 105 105 GLU HG2 H 1 2.60 0.02 . 1 . . . . A 105 GLU HG2 . 34613 1 1190 . 1 . 1 105 105 GLU HG3 H 1 2.22 0.02 . 1 . . . . A 105 GLU HG3 . 34613 1 1191 . 1 . 1 105 105 GLU C C 13 178.82 0.05 . 1 . . . . A 105 GLU C . 34613 1 1192 . 1 . 1 105 105 GLU CA C 13 61.55 0.05 . 1 . . . . A 105 GLU CA . 34613 1 1193 . 1 . 1 105 105 GLU CB C 13 30.64 0.05 . 1 . . . . A 105 GLU CB . 34613 1 1194 . 1 . 1 105 105 GLU CG C 13 37.80 0.05 . 1 . . . . A 105 GLU CG . 34613 1 1195 . 1 . 1 105 105 GLU N N 15 118.95 0.05 . 1 . . . . A 105 GLU N . 34613 1 1196 . 1 . 1 106 106 ALA H H 1 7.77 0.02 . 1 . . . . A 106 ALA H . 34613 1 1197 . 1 . 1 106 106 ALA HA H 1 4.36 0.02 . 1 . . . . A 106 ALA HA . 34613 1 1198 . 1 . 1 106 106 ALA HB1 H 1 1.69 0.02 . 1 . . . . A 106 ALA HB1 . 34613 1 1199 . 1 . 1 106 106 ALA HB2 H 1 1.69 0.02 . 1 . . . . A 106 ALA HB2 . 34613 1 1200 . 1 . 1 106 106 ALA HB3 H 1 1.69 0.02 . 1 . . . . A 106 ALA HB3 . 34613 1 1201 . 1 . 1 106 106 ALA C C 13 177.44 0.05 . 1 . . . . A 106 ALA C . 34613 1 1202 . 1 . 1 106 106 ALA CA C 13 55.09 0.05 . 1 . . . . A 106 ALA CA . 34613 1 1203 . 1 . 1 106 106 ALA CB C 13 18.18 0.05 . 1 . . . . A 106 ALA CB . 34613 1 1204 . 1 . 1 106 106 ALA N N 15 121.00 0.05 . 1 . . . . A 106 ALA N . 34613 1 1205 . 1 . 1 107 107 PHE H H 1 8.52 0.02 . 1 . . . . A 107 PHE H . 34613 1 1206 . 1 . 1 107 107 PHE HA H 1 4.49 0.02 . 1 . . . . A 107 PHE HA . 34613 1 1207 . 1 . 1 107 107 PHE HB2 H 1 3.59 0.02 . 1 . . . . A 107 PHE HB2 . 34613 1 1208 . 1 . 1 107 107 PHE HB3 H 1 3.17 0.02 . 1 . . . . A 107 PHE HB3 . 34613 1 1209 . 1 . 1 107 107 PHE HD1 H 1 7.37 0.02 . 1 . . . . A 107 PHE HD1 . 34613 1 1210 . 1 . 1 107 107 PHE HD2 H 1 7.37 0.02 . 1 . . . . A 107 PHE HD2 . 34613 1 1211 . 1 . 1 107 107 PHE HE1 H 1 7.44 0.02 . 1 . . . . A 107 PHE HE1 . 34613 1 1212 . 1 . 1 107 107 PHE HE2 H 1 7.44 0.02 . 1 . . . . A 107 PHE HE2 . 34613 1 1213 . 1 . 1 107 107 PHE HZ H 1 7.94 0.02 . 1 . . . . A 107 PHE HZ . 34613 1 1214 . 1 . 1 107 107 PHE C C 13 178.03 0.05 . 1 . . . . A 107 PHE C . 34613 1 1215 . 1 . 1 107 107 PHE CA C 13 61.03 0.05 . 1 . . . . A 107 PHE CA . 34613 1 1216 . 1 . 1 107 107 PHE CB C 13 39.20 0.05 . 1 . . . . A 107 PHE CB . 34613 1 1217 . 1 . 1 107 107 PHE CD1 C 13 132.83 0.05 . 1 . . . . A 107 PHE CD1 . 34613 1 1218 . 1 . 1 107 107 PHE CD2 C 13 132.83 0.05 . 1 . . . . A 107 PHE CD2 . 34613 1 1219 . 1 . 1 107 107 PHE CE1 C 13 131.06 0.05 . 1 . . . . A 107 PHE CE1 . 34613 1 1220 . 1 . 1 107 107 PHE CE2 C 13 131.06 0.05 . 1 . . . . A 107 PHE CE2 . 34613 1 1221 . 1 . 1 107 107 PHE CZ C 13 130.34 0.05 . 1 . . . . A 107 PHE CZ . 34613 1 1222 . 1 . 1 107 107 PHE N N 15 122.34 0.05 . 1 . . . . A 107 PHE N . 34613 1 1223 . 1 . 1 108 108 LEU H H 1 8.68 0.02 . 1 . . . . A 108 LEU H . 34613 1 1224 . 1 . 1 108 108 LEU HA H 1 3.82 0.02 . 1 . . . . A 108 LEU HA . 34613 1 1225 . 1 . 1 108 108 LEU HB2 H 1 2.09 0.02 . 1 . . . . A 108 LEU HB2 . 34613 1 1226 . 1 . 1 108 108 LEU HB3 H 1 1.44 0.02 . 1 . . . . A 108 LEU HB3 . 34613 1 1227 . 1 . 1 108 108 LEU HG H 1 2.15 0.02 . 1 . . . . A 108 LEU HG . 34613 1 1228 . 1 . 1 108 108 LEU HD11 H 1 0.93 0.02 . 1 . . . . A 108 LEU HD11 . 34613 1 1229 . 1 . 1 108 108 LEU HD12 H 1 0.93 0.02 . 1 . . . . A 108 LEU HD12 . 34613 1 1230 . 1 . 1 108 108 LEU HD13 H 1 0.93 0.02 . 1 . . . . A 108 LEU HD13 . 34613 1 1231 . 1 . 1 108 108 LEU HD21 H 1 0.89 0.02 . 1 . . . . A 108 LEU HD21 . 34613 1 1232 . 1 . 1 108 108 LEU HD22 H 1 0.89 0.02 . 1 . . . . A 108 LEU HD22 . 34613 1 1233 . 1 . 1 108 108 LEU HD23 H 1 0.89 0.02 . 1 . . . . A 108 LEU HD23 . 34613 1 1234 . 1 . 1 108 108 LEU C C 13 178.03 0.05 . 1 . . . . A 108 LEU C . 34613 1 1235 . 1 . 1 108 108 LEU CA C 13 57.33 0.05 . 1 . . . . A 108 LEU CA . 34613 1 1236 . 1 . 1 108 108 LEU CB C 13 41.50 0.05 . 1 . . . . A 108 LEU CB . 34613 1 1237 . 1 . 1 108 108 LEU CG C 13 27.04 0.05 . 1 . . . . A 108 LEU CG . 34613 1 1238 . 1 . 1 108 108 LEU CD1 C 13 21.73 0.05 . 1 . . . . A 108 LEU CD1 . 34613 1 1239 . 1 . 1 108 108 LEU CD2 C 13 27.01 0.05 . 1 . . . . A 108 LEU CD2 . 34613 1 1240 . 1 . 1 108 108 LEU N N 15 119.38 0.05 . 1 . . . . A 108 LEU N . 34613 1 1241 . 1 . 1 109 109 GLU H H 1 7.95 0.02 . 1 . . . . A 109 GLU H . 34613 1 1242 . 1 . 1 109 109 GLU HA H 1 4.16 0.02 . 1 . . . . A 109 GLU HA . 34613 1 1243 . 1 . 1 109 109 GLU HB2 H 1 2.18 0.02 . 1 . . . . A 109 GLU HB2 . 34613 1 1244 . 1 . 1 109 109 GLU HB3 H 1 2.18 0.02 . 1 . . . . A 109 GLU HB3 . 34613 1 1245 . 1 . 1 109 109 GLU HG2 H 1 2.44 0.02 . 1 . . . . A 109 GLU HG2 . 34613 1 1246 . 1 . 1 109 109 GLU HG3 H 1 2.44 0.02 . 1 . . . . A 109 GLU HG3 . 34613 1 1247 . 1 . 1 109 109 GLU C C 13 178.61 0.05 . 1 . . . . A 109 GLU C . 34613 1 1248 . 1 . 1 109 109 GLU CA C 13 59.09 0.05 . 1 . . . . A 109 GLU CA . 34613 1 1249 . 1 . 1 109 109 GLU CB C 13 29.09 0.05 . 1 . . . . A 109 GLU CB . 34613 1 1250 . 1 . 1 109 109 GLU CG C 13 35.34 0.05 . 1 . . . . A 109 GLU CG . 34613 1 1251 . 1 . 1 109 109 GLU N N 15 120.22 0.05 . 1 . . . . A 109 GLU N . 34613 1 1252 . 1 . 1 110 110 LYS H H 1 7.61 0.02 . 1 . . . . A 110 LYS H . 34613 1 1253 . 1 . 1 110 110 LYS HA H 1 4.17 0.02 . 1 . . . . A 110 LYS HA . 34613 1 1254 . 1 . 1 110 110 LYS HB2 H 1 2.06 0.02 . 1 . . . . A 110 LYS HB2 . 34613 1 1255 . 1 . 1 110 110 LYS HB3 H 1 2.06 0.02 . 1 . . . . A 110 LYS HB3 . 34613 1 1256 . 1 . 1 110 110 LYS HG2 H 1 1.67 0.02 . 1 . . . . A 110 LYS HG2 . 34613 1 1257 . 1 . 1 110 110 LYS HG3 H 1 1.64 0.02 . 1 . . . . A 110 LYS HG3 . 34613 1 1258 . 1 . 1 110 110 LYS HD2 H 1 1.83 0.02 . 1 . . . . A 110 LYS HD2 . 34613 1 1259 . 1 . 1 110 110 LYS HD3 H 1 1.79 0.02 . 1 . . . . A 110 LYS HD3 . 34613 1 1260 . 1 . 1 110 110 LYS HE2 H 1 3.07 0.02 . 1 . . . . A 110 LYS HE2 . 34613 1 1261 . 1 . 1 110 110 LYS HE3 H 1 3.07 0.02 . 1 . . . . A 110 LYS HE3 . 34613 1 1262 . 1 . 1 110 110 LYS C C 13 178.84 0.05 . 1 . . . . A 110 LYS C . 34613 1 1263 . 1 . 1 110 110 LYS CA C 13 59.48 0.05 . 1 . . . . A 110 LYS CA . 34613 1 1264 . 1 . 1 110 110 LYS CB C 13 31.90 0.05 . 1 . . . . A 110 LYS CB . 34613 1 1265 . 1 . 1 110 110 LYS CG C 13 25.07 0.05 . 1 . . . . A 110 LYS CG . 34613 1 1266 . 1 . 1 110 110 LYS CD C 13 29.19 0.05 . 1 . . . . A 110 LYS CD . 34613 1 1267 . 1 . 1 110 110 LYS CE C 13 41.90 0.05 . 1 . . . . A 110 LYS CE . 34613 1 1268 . 1 . 1 110 110 LYS N N 15 119.95 0.05 . 1 . . . . A 110 LYS N . 34613 1 1269 . 1 . 1 111 111 ALA H H 1 8.25 0.02 . 1 . . . . A 111 ALA H . 34613 1 1270 . 1 . 1 111 111 ALA HA H 1 3.94 0.02 . 1 . . . . A 111 ALA HA . 34613 1 1271 . 1 . 1 111 111 ALA HB1 H 1 1.32 0.02 . 1 . . . . A 111 ALA HB1 . 34613 1 1272 . 1 . 1 111 111 ALA HB2 H 1 1.32 0.02 . 1 . . . . A 111 ALA HB2 . 34613 1 1273 . 1 . 1 111 111 ALA HB3 H 1 1.32 0.02 . 1 . . . . A 111 ALA HB3 . 34613 1 1274 . 1 . 1 111 111 ALA C C 13 178.31 0.05 . 1 . . . . A 111 ALA C . 34613 1 1275 . 1 . 1 111 111 ALA CA C 13 55.15 0.05 . 1 . . . . A 111 ALA CA . 34613 1 1276 . 1 . 1 111 111 ALA CB C 13 17.74 0.05 . 1 . . . . A 111 ALA CB . 34613 1 1277 . 1 . 1 111 111 ALA N N 15 121.40 0.05 . 1 . . . . A 111 ALA N . 34613 1 1278 . 1 . 1 112 112 TYR H H 1 8.71 0.02 . 1 . . . . A 112 TYR H . 34613 1 1279 . 1 . 1 112 112 TYR HA H 1 3.85 0.02 . 1 . . . . A 112 TYR HA . 34613 1 1280 . 1 . 1 112 112 TYR HB2 H 1 3.40 0.02 . 1 . . . . A 112 TYR HB2 . 34613 1 1281 . 1 . 1 112 112 TYR HB3 H 1 3.14 0.02 . 1 . . . . A 112 TYR HB3 . 34613 1 1282 . 1 . 1 112 112 TYR HD1 H 1 7.01 0.02 . 1 . . . . A 112 TYR HD1 . 34613 1 1283 . 1 . 1 112 112 TYR HD2 H 1 7.01 0.02 . 1 . . . . A 112 TYR HD2 . 34613 1 1284 . 1 . 1 112 112 TYR HE1 H 1 6.85 0.02 . 1 . . . . A 112 TYR HE1 . 34613 1 1285 . 1 . 1 112 112 TYR HE2 H 1 6.85 0.02 . 1 . . . . A 112 TYR HE2 . 34613 1 1286 . 1 . 1 112 112 TYR C C 13 176.77 0.05 . 1 . . . . A 112 TYR C . 34613 1 1287 . 1 . 1 112 112 TYR CA C 13 62.06 0.05 . 1 . . . . A 112 TYR CA . 34613 1 1288 . 1 . 1 112 112 TYR CB C 13 38.36 0.05 . 1 . . . . A 112 TYR CB . 34613 1 1289 . 1 . 1 112 112 TYR CD1 C 13 133.84 0.05 . 1 . . . . A 112 TYR CD1 . 34613 1 1290 . 1 . 1 112 112 TYR CD2 C 13 133.84 0.05 . 1 . . . . A 112 TYR CD2 . 34613 1 1291 . 1 . 1 112 112 TYR CE1 C 13 118.29 0.05 . 1 . . . . A 112 TYR CE1 . 34613 1 1292 . 1 . 1 112 112 TYR CE2 C 13 118.29 0.05 . 1 . . . . A 112 TYR CE2 . 34613 1 1293 . 1 . 1 112 112 TYR N N 15 118.10 0.05 . 1 . . . . A 112 TYR N . 34613 1 1294 . 1 . 1 113 113 GLN H H 1 8.12 0.02 . 1 . . . . A 113 GLN H . 34613 1 1295 . 1 . 1 113 113 GLN HA H 1 3.97 0.02 . 1 . . . . A 113 GLN HA . 34613 1 1296 . 1 . 1 113 113 GLN HB2 H 1 2.35 0.02 . 1 . . . . A 113 GLN HB2 . 34613 1 1297 . 1 . 1 113 113 GLN HB3 H 1 2.35 0.02 . 1 . . . . A 113 GLN HB3 . 34613 1 1298 . 1 . 1 113 113 GLN HG2 H 1 2.80 0.02 . 1 . . . . A 113 GLN HG2 . 34613 1 1299 . 1 . 1 113 113 GLN HG3 H 1 2.80 0.02 . 1 . . . . A 113 GLN HG3 . 34613 1 1300 . 1 . 1 113 113 GLN HE21 H 1 7.88 0.02 . 1 . . . . A 113 GLN HE21 . 34613 1 1301 . 1 . 1 113 113 GLN HE22 H 1 6.97 0.02 . 1 . . . . A 113 GLN HE22 . 34613 1 1302 . 1 . 1 113 113 GLN C C 13 176.97 0.05 . 1 . . . . A 113 GLN C . 34613 1 1303 . 1 . 1 113 113 GLN CA C 13 58.99 0.05 . 1 . . . . A 113 GLN CA . 34613 1 1304 . 1 . 1 113 113 GLN CB C 13 27.91 0.05 . 1 . . . . A 113 GLN CB . 34613 1 1305 . 1 . 1 113 113 GLN CG C 13 33.36 0.05 . 1 . . . . A 113 GLN CG . 34613 1 1306 . 1 . 1 113 113 GLN N N 15 115.94 0.05 . 1 . . . . A 113 GLN N . 34613 1 1307 . 1 . 1 113 113 GLN NE2 N 15 112.43 0.05 . 1 . . . . A 113 GLN NE2 . 34613 1 1308 . 1 . 1 114 114 ILE H H 1 8.26 0.02 . 1 . . . . A 114 ILE H . 34613 1 1309 . 1 . 1 114 114 ILE HA H 1 3.94 0.02 . 1 . . . . A 114 ILE HA . 34613 1 1310 . 1 . 1 114 114 ILE HB H 1 2.24 0.02 . 1 . . . . A 114 ILE HB . 34613 1 1311 . 1 . 1 114 114 ILE C C 13 178.39 0.05 . 1 . . . . A 114 ILE C . 34613 1 1312 . 1 . 1 114 114 ILE CA C 13 64.90 0.05 . 1 . . . . A 114 ILE CA . 34613 1 1313 . 1 . 1 114 114 ILE CB C 13 38.29 0.05 . 1 . . . . A 114 ILE CB . 34613 1 1314 . 1 . 1 114 114 ILE N N 15 120.03 0.05 . 1 . . . . A 114 ILE N . 34613 1 1315 . 1 . 1 115 115 LEU H H 1 8.14 0.02 . 1 . . . . A 115 LEU H . 34613 1 1316 . 1 . 1 115 115 LEU HA H 1 4.15 0.02 . 1 . . . . A 115 LEU HA . 34613 1 1317 . 1 . 1 115 115 LEU HB2 H 1 1.93 0.02 . 1 . . . . A 115 LEU HB2 . 34613 1 1318 . 1 . 1 115 115 LEU HB3 H 1 1.31 0.02 . 1 . . . . A 115 LEU HB3 . 34613 1 1319 . 1 . 1 115 115 LEU HG H 1 2.11 0.02 . 1 . . . . A 115 LEU HG . 34613 1 1320 . 1 . 1 115 115 LEU HD11 H 1 0.96 0.02 . 1 . . . . A 115 LEU HD11 . 34613 1 1321 . 1 . 1 115 115 LEU HD12 H 1 0.96 0.02 . 1 . . . . A 115 LEU HD12 . 34613 1 1322 . 1 . 1 115 115 LEU HD13 H 1 0.96 0.02 . 1 . . . . A 115 LEU HD13 . 34613 1 1323 . 1 . 1 115 115 LEU HD21 H 1 0.88 0.02 . 1 . . . . A 115 LEU HD21 . 34613 1 1324 . 1 . 1 115 115 LEU HD22 H 1 0.88 0.02 . 1 . . . . A 115 LEU HD22 . 34613 1 1325 . 1 . 1 115 115 LEU HD23 H 1 0.88 0.02 . 1 . . . . A 115 LEU HD23 . 34613 1 1326 . 1 . 1 115 115 LEU C C 13 178.61 0.05 . 1 . . . . A 115 LEU C . 34613 1 1327 . 1 . 1 115 115 LEU CA C 13 58.02 0.05 . 1 . . . . A 115 LEU CA . 34613 1 1328 . 1 . 1 115 115 LEU CB C 13 41.57 0.05 . 1 . . . . A 115 LEU CB . 34613 1 1329 . 1 . 1 115 115 LEU CG C 13 26.94 0.05 . 1 . . . . A 115 LEU CG . 34613 1 1330 . 1 . 1 115 115 LEU CD1 C 13 25.86 0.05 . 1 . . . . A 115 LEU CD1 . 34613 1 1331 . 1 . 1 115 115 LEU CD2 C 13 22.77 0.05 . 1 . . . . A 115 LEU CD2 . 34613 1 1332 . 1 . 1 115 115 LEU N N 15 119.03 0.05 . 1 . . . . A 115 LEU N . 34613 1 1333 . 1 . 1 116 116 ARG H H 1 8.74 0.02 . 1 . . . . A 116 ARG H . 34613 1 1334 . 1 . 1 116 116 ARG HA H 1 3.84 0.02 . 1 . . . . A 116 ARG HA . 34613 1 1335 . 1 . 1 116 116 ARG HB2 H 1 1.72 0.02 . 1 . . . . A 116 ARG HB2 . 34613 1 1336 . 1 . 1 116 116 ARG HB3 H 1 1.65 0.02 . 1 . . . . A 116 ARG HB3 . 34613 1 1337 . 1 . 1 116 116 ARG HG2 H 1 1.54 0.02 . 1 . . . . A 116 ARG HG2 . 34613 1 1338 . 1 . 1 116 116 ARG HG3 H 1 1.54 0.02 . 1 . . . . A 116 ARG HG3 . 34613 1 1339 . 1 . 1 116 116 ARG HD2 H 1 3.15 0.02 . 1 . . . . A 116 ARG HD2 . 34613 1 1340 . 1 . 1 116 116 ARG HD3 H 1 3.08 0.02 . 1 . . . . A 116 ARG HD3 . 34613 1 1341 . 1 . 1 116 116 ARG C C 13 178.88 0.05 . 1 . . . . A 116 ARG C . 34613 1 1342 . 1 . 1 116 116 ARG CA C 13 59.30 0.05 . 1 . . . . A 116 ARG CA . 34613 1 1343 . 1 . 1 116 116 ARG CB C 13 29.33 0.05 . 1 . . . . A 116 ARG CB . 34613 1 1344 . 1 . 1 116 116 ARG CG C 13 27.00 0.05 . 1 . . . . A 116 ARG CG . 34613 1 1345 . 1 . 1 116 116 ARG CD C 13 43.55 0.05 . 1 . . . . A 116 ARG CD . 34613 1 1346 . 1 . 1 116 116 ARG N N 15 118.90 0.05 . 1 . . . . A 116 ARG N . 34613 1 1347 . 1 . 1 117 117 HIS H H 1 7.74 0.02 . 1 . . . . A 117 HIS H . 34613 1 1348 . 1 . 1 117 117 HIS HA H 1 4.52 0.02 . 1 . . . . A 117 HIS HA . 34613 1 1349 . 1 . 1 117 117 HIS HB2 H 1 3.42 0.02 . 1 . . . . A 117 HIS HB2 . 34613 1 1350 . 1 . 1 117 117 HIS HB3 H 1 3.31 0.02 . 1 . . . . A 117 HIS HB3 . 34613 1 1351 . 1 . 1 117 117 HIS HD2 H 1 7.12 0.02 . 1 . . . . A 117 HIS HD2 . 34613 1 1352 . 1 . 1 117 117 HIS C C 13 177.99 0.05 . 1 . . . . A 117 HIS C . 34613 1 1353 . 1 . 1 117 117 HIS CA C 13 59.27 0.05 . 1 . . . . A 117 HIS CA . 34613 1 1354 . 1 . 1 117 117 HIS CB C 13 30.45 0.05 . 1 . . . . A 117 HIS CB . 34613 1 1355 . 1 . 1 117 117 HIS CD2 C 13 120.37 0.05 . 1 . . . . A 117 HIS CD2 . 34613 1 1356 . 1 . 1 117 117 HIS CE1 C 13 136.09 0.05 . 1 . . . . A 117 HIS CE1 . 34613 1 1357 . 1 . 1 117 117 HIS N N 15 117.92 0.05 . 1 . . . . A 117 HIS N . 34613 1 1358 . 1 . 1 118 118 LEU H H 1 7.86 0.02 . 1 . . . . A 118 LEU H . 34613 1 1359 . 1 . 1 118 118 LEU HA H 1 4.24 0.02 . 1 . . . . A 118 LEU HA . 34613 1 1360 . 1 . 1 118 118 LEU HB2 H 1 2.04 0.02 . 1 . . . . A 118 LEU HB2 . 34613 1 1361 . 1 . 1 118 118 LEU HB3 H 1 1.61 0.02 . 1 . . . . A 118 LEU HB3 . 34613 1 1362 . 1 . 1 118 118 LEU HG H 1 2.08 0.02 . 1 . . . . A 118 LEU HG . 34613 1 1363 . 1 . 1 118 118 LEU HD11 H 1 0.97 0.02 . 1 . . . . A 118 LEU HD11 . 34613 1 1364 . 1 . 1 118 118 LEU HD12 H 1 0.97 0.02 . 1 . . . . A 118 LEU HD12 . 34613 1 1365 . 1 . 1 118 118 LEU HD13 H 1 0.97 0.02 . 1 . . . . A 118 LEU HD13 . 34613 1 1366 . 1 . 1 118 118 LEU HD21 H 1 0.98 0.02 . 1 . . . . A 118 LEU HD21 . 34613 1 1367 . 1 . 1 118 118 LEU HD22 H 1 0.98 0.02 . 1 . . . . A 118 LEU HD22 . 34613 1 1368 . 1 . 1 118 118 LEU HD23 H 1 0.98 0.02 . 1 . . . . A 118 LEU HD23 . 34613 1 1369 . 1 . 1 118 118 LEU C C 13 177.96 0.05 . 1 . . . . A 118 LEU C . 34613 1 1370 . 1 . 1 118 118 LEU CA C 13 56.88 0.05 . 1 . . . . A 118 LEU CA . 34613 1 1371 . 1 . 1 118 118 LEU CB C 13 42.47 0.05 . 1 . . . . A 118 LEU CB . 34613 1 1372 . 1 . 1 118 118 LEU CG C 13 26.83 0.05 . 1 . . . . A 118 LEU CG . 34613 1 1373 . 1 . 1 118 118 LEU CD1 C 13 26.79 0.05 . 1 . . . . A 118 LEU CD1 . 34613 1 1374 . 1 . 1 118 118 LEU CD2 C 13 23.08 0.05 . 1 . . . . A 118 LEU CD2 . 34613 1 1375 . 1 . 1 118 118 LEU N N 15 118.69 0.05 . 1 . . . . A 118 LEU N . 34613 1 1376 . 1 . 1 119 119 ALA H H 1 8.03 0.02 . 1 . . . . A 119 ALA H . 34613 1 1377 . 1 . 1 119 119 ALA HA H 1 4.38 0.02 . 1 . . . . A 119 ALA HA . 34613 1 1378 . 1 . 1 119 119 ALA HB1 H 1 1.49 0.02 . 1 . . . . A 119 ALA HB1 . 34613 1 1379 . 1 . 1 119 119 ALA HB2 H 1 1.49 0.02 . 1 . . . . A 119 ALA HB2 . 34613 1 1380 . 1 . 1 119 119 ALA HB3 H 1 1.49 0.02 . 1 . . . . A 119 ALA HB3 . 34613 1 1381 . 1 . 1 119 119 ALA C C 13 176.82 0.05 . 1 . . . . A 119 ALA C . 34613 1 1382 . 1 . 1 119 119 ALA CA C 13 52.77 0.05 . 1 . . . . A 119 ALA CA . 34613 1 1383 . 1 . 1 119 119 ALA CB C 13 19.05 0.05 . 1 . . . . A 119 ALA CB . 34613 1 1384 . 1 . 1 119 119 ALA N N 15 120.22 0.05 . 1 . . . . A 119 ALA N . 34613 1 1385 . 1 . 1 120 120 ALA H H 1 7.64 0.02 . 1 . . . . A 120 ALA H . 34613 1 1386 . 1 . 1 120 120 ALA HA H 1 4.40 0.02 . 1 . . . . A 120 ALA HA . 34613 1 1387 . 1 . 1 120 120 ALA HB1 H 1 1.50 0.02 . 1 . . . . A 120 ALA HB1 . 34613 1 1388 . 1 . 1 120 120 ALA HB2 H 1 1.50 0.02 . 1 . . . . A 120 ALA HB2 . 34613 1 1389 . 1 . 1 120 120 ALA HB3 H 1 1.50 0.02 . 1 . . . . A 120 ALA HB3 . 34613 1 1390 . 1 . 1 120 120 ALA C C 13 176.14 0.05 . 1 . . . . A 120 ALA C . 34613 1 1391 . 1 . 1 120 120 ALA CA C 13 52.47 0.05 . 1 . . . . A 120 ALA CA . 34613 1 1392 . 1 . 1 120 120 ALA CB C 13 18.95 0.05 . 1 . . . . A 120 ALA CB . 34613 1 1393 . 1 . 1 120 120 ALA N N 15 121.11 0.05 . 1 . . . . A 120 ALA N . 34613 1 1394 . 1 . 1 121 121 ALA H H 1 7.60 0.02 . 1 . . . . A 121 ALA H . 34613 1 1395 . 1 . 1 121 121 ALA HA H 1 4.22 0.02 . 1 . . . . A 121 ALA HA . 34613 1 1396 . 1 . 1 121 121 ALA HB1 H 1 1.38 0.02 . 1 . . . . A 121 ALA HB1 . 34613 1 1397 . 1 . 1 121 121 ALA HB2 H 1 1.38 0.02 . 1 . . . . A 121 ALA HB2 . 34613 1 1398 . 1 . 1 121 121 ALA HB3 H 1 1.38 0.02 . 1 . . . . A 121 ALA HB3 . 34613 1 1399 . 1 . 1 121 121 ALA CA C 13 53.87 0.05 . 1 . . . . A 121 ALA CA . 34613 1 1400 . 1 . 1 121 121 ALA CB C 13 20.26 0.05 . 1 . . . . A 121 ALA CB . 34613 1 1401 . 1 . 1 121 121 ALA N N 15 128.14 0.05 . 1 . . . . A 121 ALA N . 34613 1 stop_ save_