data_7079 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7079 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID . ; Solution structure of conserved unknown protein RPA2825 from Rhodopseudomonas palustris (Northeast Structural Genomics Consortium Target RpT4; Ontario Centre for Structural Proteomics Target RP2812) ; 'Structure analysis' ; The data from this entry is used in the calculation of Solution structure of conserved unknown protein RPA2825 from Rhodopseudomonas palustris; Northeast Structural Genomics Consortium Target RpT4; Ontario Centre for Structural Proteomics Target rp2812. ; 7079 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'hypothetical protein RP2812' 7079 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7079 _Entry.Title ; Sequence specific assignment of a hypothetical protein RP2812 (NESG ID: RPT4) from Rhodopseudomonas palustris ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-04-20 _Entry.Accession_date 2006-04-20 _Entry.Last_release_date 2006-11-06 _Entry.Original_release_date 2006-11-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Sampath Srisailam . . . 7079 2 Jonathan Lukin . A. . 7079 3 Adelinda Yee . . . 7079 4 Alexander Lemak . . . 7079 5 Cheryl Arrowsmith . H. . 7079 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . NESGC . 7079 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7079 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 497 7079 '15N chemical shifts' 124 7079 '1H chemical shifts' 835 7079 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 1 . . 2006-11-06 2006-04-20 original author . 7079 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7079 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Sequence specific assignment of a hypothetical protein RP2812 (NESG ID: RPT4) from Rhodopseudomonas palustris ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 . _Citation.Page_last . _Citation.Year . _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.Entry_ID _Citation_author.Citation_ID 1 Sampath Srisailam . . . 7079 1 2 Jonathan Lukin . A. . 7079 1 3 Adelinda Yee . . . 7079 1 4 Alexander Lemak . . . 7079 1 5 Cheryl Arrowsmith . H. . 7079 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7079 _Assembly.ID 1 _Assembly.Name RP2812 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not available' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7079 1 stop_ 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 RP2812 1 $RP2812 . . no native no no . . . 7079 1 stop_ loop_ _Assembly_systematic_name.Name _Assembly_systematic_name.Naming_system _Assembly_systematic_name.Entry_ID _Assembly_systematic_name.Assembly_ID . BMRB 7079 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RP2812 _Entity.Sf_category entity _Entity.Sf_framecode RP2812 _Entity.Entry_ID 7079 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'conserved unknown protein RPA2825 from Rhodopseudomonas palustris' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSIFGKIMSAIFGDSAAASP GGAQAPATTGAAGTAPTAPQ PTAAPSIDVAPILDKAVKAK GEKLEWRTSIVDLMKALDID SSLSARKELAKELGYSGDMN DSASMNIWLHKQVMSKLVAN GGKLPPEIKH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2GQB . "Solution Structure Of A Conserved Unknown Protein Rpa2825 From Rhodopseudomonas Palustris; (Northeast Structural Genomics Conso" . . . . . 100.00 130 100.00 100.00 6.40e-86 . . . . 7079 1 2 no EMBL CAE28267 . "conserved unknown protein [Rhodopseudomonas palustris CGA009]" . . . . . 100.00 130 100.00 100.00 6.40e-86 . . . . 7079 1 3 no GB ACF01669 . "conserved hypothetical protein [Rhodopseudomonas palustris TIE-1]" . . . . . 100.00 130 100.00 100.00 6.40e-86 . . . . 7079 1 4 no REF NP_948168 . "hypothetical protein RPA2825 [Rhodopseudomonas palustris CGA009]" . . . . . 100.00 130 100.00 100.00 6.40e-86 . . . . 7079 1 5 no REF WP_011158376 . "hypothetical protein [Rhodopseudomonas palustris]" . . . . . 100.00 130 100.00 100.00 6.40e-86 . . . . 7079 1 6 no REF YP_001992144 . "hypothetical protein Rpal_3165 [Rhodopseudomonas palustris TIE-1]" . . . . . 100.00 130 100.00 100.00 6.40e-86 . . . . 7079 1 stop_ 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 . MET . 7079 1 2 . SER . 7079 1 3 . ILE . 7079 1 4 . PHE . 7079 1 5 . GLY . 7079 1 6 . LYS . 7079 1 7 . ILE . 7079 1 8 . MET . 7079 1 9 . SER . 7079 1 10 . ALA . 7079 1 11 . ILE . 7079 1 12 . PHE . 7079 1 13 . GLY . 7079 1 14 . ASP . 7079 1 15 . SER . 7079 1 16 . ALA . 7079 1 17 . ALA . 7079 1 18 . ALA . 7079 1 19 . SER . 7079 1 20 . PRO . 7079 1 21 . GLY . 7079 1 22 . GLY . 7079 1 23 . ALA . 7079 1 24 . GLN . 7079 1 25 . ALA . 7079 1 26 . PRO . 7079 1 27 . ALA . 7079 1 28 . THR . 7079 1 29 . THR . 7079 1 30 . GLY . 7079 1 31 . ALA . 7079 1 32 . ALA . 7079 1 33 . GLY . 7079 1 34 . THR . 7079 1 35 . ALA . 7079 1 36 . PRO . 7079 1 37 . THR . 7079 1 38 . ALA . 7079 1 39 . PRO . 7079 1 40 . GLN . 7079 1 41 . PRO . 7079 1 42 . THR . 7079 1 43 . ALA . 7079 1 44 . ALA . 7079 1 45 . PRO . 7079 1 46 . SER . 7079 1 47 . ILE . 7079 1 48 . ASP . 7079 1 49 . VAL . 7079 1 50 . ALA . 7079 1 51 . PRO . 7079 1 52 . ILE . 7079 1 53 . LEU . 7079 1 54 . ASP . 7079 1 55 . LYS . 7079 1 56 . ALA . 7079 1 57 . VAL . 7079 1 58 . LYS . 7079 1 59 . ALA . 7079 1 60 . LYS . 7079 1 61 . GLY . 7079 1 62 . GLU . 7079 1 63 . LYS . 7079 1 64 . LEU . 7079 1 65 . GLU . 7079 1 66 . TRP . 7079 1 67 . ARG . 7079 1 68 . THR . 7079 1 69 . SER . 7079 1 70 . ILE . 7079 1 71 . VAL . 7079 1 72 . ASP . 7079 1 73 . LEU . 7079 1 74 . MET . 7079 1 75 . LYS . 7079 1 76 . ALA . 7079 1 77 . LEU . 7079 1 78 . ASP . 7079 1 79 . ILE . 7079 1 80 . ASP . 7079 1 81 . SER . 7079 1 82 . SER . 7079 1 83 . LEU . 7079 1 84 . SER . 7079 1 85 . ALA . 7079 1 86 . ARG . 7079 1 87 . LYS . 7079 1 88 . GLU . 7079 1 89 . LEU . 7079 1 90 . ALA . 7079 1 91 . LYS . 7079 1 92 . GLU . 7079 1 93 . LEU . 7079 1 94 . GLY . 7079 1 95 . TYR . 7079 1 96 . SER . 7079 1 97 . GLY . 7079 1 98 . ASP . 7079 1 99 . MET . 7079 1 100 . ASN . 7079 1 101 . ASP . 7079 1 102 . SER . 7079 1 103 . ALA . 7079 1 104 . SER . 7079 1 105 . MET . 7079 1 106 . ASN . 7079 1 107 . ILE . 7079 1 108 . TRP . 7079 1 109 . LEU . 7079 1 110 . HIS . 7079 1 111 . LYS . 7079 1 112 . GLN . 7079 1 113 . VAL . 7079 1 114 . MET . 7079 1 115 . SER . 7079 1 116 . LYS . 7079 1 117 . LEU . 7079 1 118 . VAL . 7079 1 119 . ALA . 7079 1 120 . ASN . 7079 1 121 . GLY . 7079 1 122 . GLY . 7079 1 123 . LYS . 7079 1 124 . LEU . 7079 1 125 . PRO . 7079 1 126 . PRO . 7079 1 127 . GLU . 7079 1 128 . ILE . 7079 1 129 . LYS . 7079 1 130 . HIS . 7079 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 . MET 1 1 7079 1 . SER 2 2 7079 1 . ILE 3 3 7079 1 . PHE 4 4 7079 1 . GLY 5 5 7079 1 . LYS 6 6 7079 1 . ILE 7 7 7079 1 . MET 8 8 7079 1 . SER 9 9 7079 1 . ALA 10 10 7079 1 . ILE 11 11 7079 1 . PHE 12 12 7079 1 . GLY 13 13 7079 1 . ASP 14 14 7079 1 . SER 15 15 7079 1 . ALA 16 16 7079 1 . ALA 17 17 7079 1 . ALA 18 18 7079 1 . SER 19 19 7079 1 . PRO 20 20 7079 1 . GLY 21 21 7079 1 . GLY 22 22 7079 1 . ALA 23 23 7079 1 . GLN 24 24 7079 1 . ALA 25 25 7079 1 . PRO 26 26 7079 1 . ALA 27 27 7079 1 . THR 28 28 7079 1 . THR 29 29 7079 1 . GLY 30 30 7079 1 . ALA 31 31 7079 1 . ALA 32 32 7079 1 . GLY 33 33 7079 1 . THR 34 34 7079 1 . ALA 35 35 7079 1 . PRO 36 36 7079 1 . THR 37 37 7079 1 . ALA 38 38 7079 1 . PRO 39 39 7079 1 . GLN 40 40 7079 1 . PRO 41 41 7079 1 . THR 42 42 7079 1 . ALA 43 43 7079 1 . ALA 44 44 7079 1 . PRO 45 45 7079 1 . SER 46 46 7079 1 . ILE 47 47 7079 1 . ASP 48 48 7079 1 . VAL 49 49 7079 1 . ALA 50 50 7079 1 . PRO 51 51 7079 1 . ILE 52 52 7079 1 . LEU 53 53 7079 1 . ASP 54 54 7079 1 . LYS 55 55 7079 1 . ALA 56 56 7079 1 . VAL 57 57 7079 1 . LYS 58 58 7079 1 . ALA 59 59 7079 1 . LYS 60 60 7079 1 . GLY 61 61 7079 1 . GLU 62 62 7079 1 . LYS 63 63 7079 1 . LEU 64 64 7079 1 . GLU 65 65 7079 1 . TRP 66 66 7079 1 . ARG 67 67 7079 1 . THR 68 68 7079 1 . SER 69 69 7079 1 . ILE 70 70 7079 1 . VAL 71 71 7079 1 . ASP 72 72 7079 1 . LEU 73 73 7079 1 . MET 74 74 7079 1 . LYS 75 75 7079 1 . ALA 76 76 7079 1 . LEU 77 77 7079 1 . ASP 78 78 7079 1 . ILE 79 79 7079 1 . ASP 80 80 7079 1 . SER 81 81 7079 1 . SER 82 82 7079 1 . LEU 83 83 7079 1 . SER 84 84 7079 1 . ALA 85 85 7079 1 . ARG 86 86 7079 1 . LYS 87 87 7079 1 . GLU 88 88 7079 1 . LEU 89 89 7079 1 . ALA 90 90 7079 1 . LYS 91 91 7079 1 . GLU 92 92 7079 1 . LEU 93 93 7079 1 . GLY 94 94 7079 1 . TYR 95 95 7079 1 . SER 96 96 7079 1 . GLY 97 97 7079 1 . ASP 98 98 7079 1 . MET 99 99 7079 1 . ASN 100 100 7079 1 . ASP 101 101 7079 1 . SER 102 102 7079 1 . ALA 103 103 7079 1 . SER 104 104 7079 1 . MET 105 105 7079 1 . ASN 106 106 7079 1 . ILE 107 107 7079 1 . TRP 108 108 7079 1 . LEU 109 109 7079 1 . HIS 110 110 7079 1 . LYS 111 111 7079 1 . GLN 112 112 7079 1 . VAL 113 113 7079 1 . MET 114 114 7079 1 . SER 115 115 7079 1 . LYS 116 116 7079 1 . LEU 117 117 7079 1 . VAL 118 118 7079 1 . ALA 119 119 7079 1 . ASN 120 120 7079 1 . GLY 121 121 7079 1 . GLY 122 122 7079 1 . LYS 123 123 7079 1 . LEU 124 124 7079 1 . PRO 125 125 7079 1 . PRO 126 126 7079 1 . GLU 127 127 7079 1 . ILE 128 128 7079 1 . LYS 129 129 7079 1 . HIS 130 130 7079 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 7079 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RP2812 . 1076 . no . 'Rhodopseudomonas palustris' . . Eubacteria . Rhodopseudomonas palustris . . . . . . . . . . . . . . . . . . . . . 7079 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 7079 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RP2812 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7079 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7079 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'conserved unknown protein RPA2825 from Rhodopseudomonas palustris' '[U-15N; U-13C]' . . 1 $RP2812 . protein 1 . . mM 0.2 . . . 7079 1 2 MOPS . . . . . . buffer 10 . . mM 0.05 . . . 7079 1 3 'Sodium Chloride' . . . . . . salt 450 . . mM 0.05 . . . 7079 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7079 _Sample_condition_list.ID 1 _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 pH 6.5 0.3 pH 7079 1 temperature 298 0.5 K 7079 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7079 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.95 _Software.Details 'Used for Analysis and Assignment' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7079 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7079 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '1H15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7079 1 2 '1H13C HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7079 1 3 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7079 1 4 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7079 1 5 'CCTOCSY NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7079 1 6 'HCCTOCSY NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7079 1 7 HC(C)H-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7079 1 8 HCC(H)-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7079 1 9 15N-NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7079 1 10 13C-NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7079 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7079 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0.0 internal indirect 0.251449530 . . . . . . . . . 7079 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7079 1 N 15 DSS 'methyl carbons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . . . . . 7079 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7079 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 '1H15N HSQC' 1 $sample_1 isotropic 7079 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 7079 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 MET H H 1 8.006 0.020 . 1 . . . . 1 MET H . 7079 1 2 . 1 1 1 1 MET HA H 1 4.475 0.020 . 1 . . . . 1 MET HA . 7079 1 3 . 1 1 1 1 MET HB2 H 1 2.009 0.020 . 2 . . . . 1 MET HB2 . 7079 1 4 . 1 1 1 1 MET HB3 H 1 2.087 0.020 . 2 . . . . 1 MET HB3 . 7079 1 5 . 1 1 1 1 MET HG2 H 1 2.530 0.020 . 2 . . . . 1 MET HG2 . 7079 1 6 . 1 1 1 1 MET HG3 H 1 2.569 0.020 . 2 . . . . 1 MET HG3 . 7079 1 7 . 1 1 1 1 MET C C 13 175.815 0.400 . 1 . . . . 1 MET C . 7079 1 8 . 1 1 1 1 MET CA C 13 55.526 0.400 . 1 . . . . 1 MET CA . 7079 1 9 . 1 1 1 1 MET CB C 13 33.750 0.400 . 1 . . . . 1 MET CB . 7079 1 10 . 1 1 1 1 MET CG C 13 32.110 0.400 . 1 . . . . 1 MET CG . 7079 1 11 . 1 1 1 1 MET N N 15 120.020 0.400 . 1 . . . . 1 MET N . 7079 1 12 . 1 1 2 2 SER H H 1 8.268 0.020 . 1 . . . . 2 SER H . 7079 1 13 . 1 1 2 2 SER HA H 1 4.482 0.020 . 1 . . . . 2 SER HA . 7079 1 14 . 1 1 2 2 SER HB2 H 1 3.910 0.020 . 2 . . . . 2 SER HB2 . 7079 1 15 . 1 1 2 2 SER HB3 H 1 4.274 0.020 . 2 . . . . 2 SER HB3 . 7079 1 16 . 1 1 2 2 SER C C 13 175.156 0.400 . 1 . . . . 2 SER C . 7079 1 17 . 1 1 2 2 SER CA C 13 58.627 0.400 . 1 . . . . 2 SER CA . 7079 1 18 . 1 1 2 2 SER CB C 13 64.000 0.400 . 1 . . . . 2 SER CB . 7079 1 19 . 1 1 2 2 SER N N 15 118.476 0.400 . 1 . . . . 2 SER N . 7079 1 20 . 1 1 3 3 ILE H H 1 10.275 0.020 . 1 . . . . 3 ILE H . 7079 1 21 . 1 1 3 3 ILE HA H 1 3.747 0.020 . 1 . . . . 3 ILE HA . 7079 1 22 . 1 1 3 3 ILE HB H 1 2.020 0.020 . 1 . . . . 3 ILE HB . 7079 1 23 . 1 1 3 3 ILE HG12 H 1 1.364 0.020 . 2 . . . . 3 ILE HG12 . 7079 1 24 . 1 1 3 3 ILE HG13 H 1 1.770 0.020 . 2 . . . . 3 ILE HG13 . 7079 1 25 . 1 1 3 3 ILE HG21 H 1 0.930 0.020 . 1 . . . . 3 ILE HG2 . 7079 1 26 . 1 1 3 3 ILE HG22 H 1 0.930 0.020 . 1 . . . . 3 ILE HG2 . 7079 1 27 . 1 1 3 3 ILE HG23 H 1 0.930 0.020 . 1 . . . . 3 ILE HG2 . 7079 1 28 . 1 1 3 3 ILE HD11 H 1 0.887 0.020 . 1 . . . . 3 ILE HD1 . 7079 1 29 . 1 1 3 3 ILE HD12 H 1 0.887 0.020 . 1 . . . . 3 ILE HD1 . 7079 1 30 . 1 1 3 3 ILE HD13 H 1 0.887 0.020 . 1 . . . . 3 ILE HD1 . 7079 1 31 . 1 1 3 3 ILE C C 13 178.751 0.400 . 1 . . . . 3 ILE C . 7079 1 32 . 1 1 3 3 ILE CA C 13 64.761 0.400 . 1 . . . . 3 ILE CA . 7079 1 33 . 1 1 3 3 ILE CB C 13 36.325 0.400 . 1 . . . . 3 ILE CB . 7079 1 34 . 1 1 3 3 ILE CG1 C 13 28.260 0.400 . 1 . . . . 3 ILE CG1 . 7079 1 35 . 1 1 3 3 ILE CG2 C 13 18.790 0.400 . 1 . . . . 3 ILE CG2 . 7079 1 36 . 1 1 3 3 ILE CD1 C 13 12.270 0.400 . 1 . . . . 3 ILE CD1 . 7079 1 37 . 1 1 3 3 ILE N N 15 127.514 0.400 . 1 . . . . 3 ILE N . 7079 1 38 . 1 1 4 4 PHE H H 1 9.984 0.020 . 1 . . . . 4 PHE H . 7079 1 39 . 1 1 4 4 PHE HA H 1 4.019 0.020 . 1 . . . . 4 PHE HA . 7079 1 40 . 1 1 4 4 PHE HB2 H 1 2.930 0.020 . 2 . . . . 4 PHE HB2 . 7079 1 41 . 1 1 4 4 PHE HB3 H 1 3.062 0.020 . 2 . . . . 4 PHE HB3 . 7079 1 42 . 1 1 4 4 PHE HD1 H 1 7.065 0.020 . 1 . . . . 4 PHE HD1 . 7079 1 43 . 1 1 4 4 PHE HD2 H 1 7.065 0.020 . 1 . . . . 4 PHE HD2 . 7079 1 44 . 1 1 4 4 PHE HE1 H 1 7.182 0.020 . 1 . . . . 4 PHE HE1 . 7079 1 45 . 1 1 4 4 PHE HE2 H 1 7.182 0.020 . 1 . . . . 4 PHE HE2 . 7079 1 46 . 1 1 4 4 PHE C C 13 177.504 0.400 . 1 . . . . 4 PHE C . 7079 1 47 . 1 1 4 4 PHE CA C 13 62.100 0.400 . 1 . . . . 4 PHE CA . 7079 1 48 . 1 1 4 4 PHE CB C 13 38.620 0.400 . 1 . . . . 4 PHE CB . 7079 1 49 . 1 1 4 4 PHE CD1 C 13 131.132 0.400 . 1 . . . . 4 PHE CD1 . 7079 1 50 . 1 1 4 4 PHE CD2 C 13 131.132 0.400 . 1 . . . . 4 PHE CD2 . 7079 1 51 . 1 1 4 4 PHE N N 15 122.354 0.400 . 1 . . . . 4 PHE N . 7079 1 52 . 1 1 5 5 GLY H H 1 8.479 0.020 . 1 . . . . 5 GLY H . 7079 1 53 . 1 1 5 5 GLY HA2 H 1 3.454 0.020 . 2 . . . . 5 GLY HA2 . 7079 1 54 . 1 1 5 5 GLY HA3 H 1 3.809 0.020 . 2 . . . . 5 GLY HA3 . 7079 1 55 . 1 1 5 5 GLY C C 13 176.787 0.400 . 1 . . . . 5 GLY C . 7079 1 56 . 1 1 5 5 GLY CA C 13 47.000 0.400 . 1 . . . . 5 GLY CA . 7079 1 57 . 1 1 5 5 GLY N N 15 105.925 0.400 . 1 . . . . 5 GLY N . 7079 1 58 . 1 1 6 6 LYS H H 1 7.987 0.020 . 1 . . . . 6 LYS H . 7079 1 59 . 1 1 6 6 LYS HA H 1 3.957 0.020 . 1 . . . . 6 LYS HA . 7079 1 60 . 1 1 6 6 LYS HB2 H 1 1.860 0.020 . 1 . . . . 6 LYS HB2 . 7079 1 61 . 1 1 6 6 LYS HB3 H 1 1.860 0.020 . 1 . . . . 6 LYS HB3 . 7079 1 62 . 1 1 6 6 LYS HG2 H 1 1.353 0.020 . 2 . . . . 6 LYS HG2 . 7079 1 63 . 1 1 6 6 LYS HG3 H 1 1.726 0.020 . 2 . . . . 6 LYS HG3 . 7079 1 64 . 1 1 6 6 LYS HD2 H 1 1.601 0.020 . 2 . . . . 6 LYS HD2 . 7079 1 65 . 1 1 6 6 LYS HD3 H 1 1.691 0.020 . 2 . . . . 6 LYS HD3 . 7079 1 66 . 1 1 6 6 LYS HE2 H 1 2.961 0.020 . 1 . . . . 6 LYS HE2 . 7079 1 67 . 1 1 6 6 LYS HE3 H 1 2.961 0.020 . 1 . . . . 6 LYS HE3 . 7079 1 68 . 1 1 6 6 LYS C C 13 179.345 0.400 . 1 . . . . 6 LYS C . 7079 1 69 . 1 1 6 6 LYS CA C 13 59.860 0.400 . 1 . . . . 6 LYS CA . 7079 1 70 . 1 1 6 6 LYS CB C 13 32.490 0.400 . 1 . . . . 6 LYS CB . 7079 1 71 . 1 1 6 6 LYS CG C 13 25.760 0.400 . 1 . . . . 6 LYS CG . 7079 1 72 . 1 1 6 6 LYS CD C 13 29.800 0.400 . 1 . . . . 6 LYS CD . 7079 1 73 . 1 1 6 6 LYS CE C 13 41.580 0.400 . 1 . . . . 6 LYS CE . 7079 1 74 . 1 1 6 6 LYS N N 15 123.176 0.400 . 1 . . . . 6 LYS N . 7079 1 75 . 1 1 7 7 ILE H H 1 7.732 0.020 . 1 . . . . 7 ILE H . 7079 1 76 . 1 1 7 7 ILE HA H 1 3.295 0.020 . 1 . . . . 7 ILE HA . 7079 1 77 . 1 1 7 7 ILE HB H 1 1.823 0.020 . 1 . . . . 7 ILE HB . 7079 1 78 . 1 1 7 7 ILE HG12 H 1 1.495 0.020 . 2 . . . . 7 ILE HG12 . 7079 1 79 . 1 1 7 7 ILE HG13 H 1 0.780 0.020 . 2 . . . . 7 ILE HG13 . 7079 1 80 . 1 1 7 7 ILE HG21 H 1 0.637 0.020 . 1 . . . . 7 ILE HG2 . 7079 1 81 . 1 1 7 7 ILE HG22 H 1 0.637 0.020 . 1 . . . . 7 ILE HG2 . 7079 1 82 . 1 1 7 7 ILE HG23 H 1 0.637 0.020 . 1 . . . . 7 ILE HG2 . 7079 1 83 . 1 1 7 7 ILE HD11 H 1 0.538 0.020 . 1 . . . . 7 ILE HD1 . 7079 1 84 . 1 1 7 7 ILE HD12 H 1 0.538 0.020 . 1 . . . . 7 ILE HD1 . 7079 1 85 . 1 1 7 7 ILE HD13 H 1 0.538 0.020 . 1 . . . . 7 ILE HD1 . 7079 1 86 . 1 1 7 7 ILE C C 13 176.718 0.400 . 1 . . . . 7 ILE C . 7079 1 87 . 1 1 7 7 ILE CA C 13 65.930 0.400 . 1 . . . . 7 ILE CA . 7079 1 88 . 1 1 7 7 ILE CB C 13 37.770 0.400 . 1 . . . . 7 ILE CB . 7079 1 89 . 1 1 7 7 ILE CG1 C 13 29.550 0.400 . 1 . . . . 7 ILE CG1 . 7079 1 90 . 1 1 7 7 ILE CG2 C 13 15.070 0.400 . 1 . . . . 7 ILE CG2 . 7079 1 91 . 1 1 7 7 ILE CD1 C 13 16.280 0.400 . 1 . . . . 7 ILE CD1 . 7079 1 92 . 1 1 7 7 ILE N N 15 121.397 0.400 . 1 . . . . 7 ILE N . 7079 1 93 . 1 1 8 8 MET H H 1 7.845 0.020 . 1 . . . . 8 MET H . 7079 1 94 . 1 1 8 8 MET HA H 1 4.012 0.020 . 1 . . . . 8 MET HA . 7079 1 95 . 1 1 8 8 MET HB2 H 1 1.533 0.020 . 1 . . . . 8 MET HB2 . 7079 1 96 . 1 1 8 8 MET HB3 H 1 1.533 0.020 . 1 . . . . 8 MET HB3 . 7079 1 97 . 1 1 8 8 MET HG2 H 1 1.756 0.020 . 1 . . . . 8 MET HG2 . 7079 1 98 . 1 1 8 8 MET HG3 H 1 1.756 0.020 . 1 . . . . 8 MET HG3 . 7079 1 99 . 1 1 8 8 MET C C 13 179.386 0.400 . 1 . . . . 8 MET C . 7079 1 100 . 1 1 8 8 MET CA C 13 57.550 0.400 . 1 . . . . 8 MET CA . 7079 1 101 . 1 1 8 8 MET CB C 13 32.730 0.400 . 1 . . . . 8 MET CB . 7079 1 102 . 1 1 8 8 MET CG C 13 31.440 0.400 . 1 . . . . 8 MET CG . 7079 1 103 . 1 1 8 8 MET N N 15 115.257 0.400 . 1 . . . . 8 MET N . 7079 1 104 . 1 1 9 9 SER H H 1 8.462 0.020 . 1 . . . . 9 SER H . 7079 1 105 . 1 1 9 9 SER HA H 1 4.122 0.020 . 1 . . . . 9 SER HA . 7079 1 106 . 1 1 9 9 SER HB2 H 1 3.852 0.020 . 1 . . . . 9 SER HB2 . 7079 1 107 . 1 1 9 9 SER HB3 H 1 3.852 0.020 . 1 . . . . 9 SER HB3 . 7079 1 108 . 1 1 9 9 SER C C 13 176.924 0.400 . 1 . . . . 9 SER C . 7079 1 109 . 1 1 9 9 SER CA C 13 61.490 0.400 . 1 . . . . 9 SER CA . 7079 1 110 . 1 1 9 9 SER CB C 13 63.200 0.400 . 1 . . . . 9 SER CB . 7079 1 111 . 1 1 9 9 SER N N 15 114.631 0.400 . 1 . . . . 9 SER N . 7079 1 112 . 1 1 10 10 ALA H H 1 7.707 0.020 . 1 . . . . 10 ALA H . 7079 1 113 . 1 1 10 10 ALA HA H 1 4.088 0.020 . 1 . . . . 10 ALA HA . 7079 1 114 . 1 1 10 10 ALA HB1 H 1 1.515 0.020 . 1 . . . . 10 ALA HB . 7079 1 115 . 1 1 10 10 ALA HB2 H 1 1.515 0.020 . 1 . . . . 10 ALA HB . 7079 1 116 . 1 1 10 10 ALA HB3 H 1 1.515 0.020 . 1 . . . . 10 ALA HB . 7079 1 117 . 1 1 10 10 ALA C C 13 178.373 0.400 . 1 . . . . 10 ALA C . 7079 1 118 . 1 1 10 10 ALA CA C 13 54.620 0.400 . 1 . . . . 10 ALA CA . 7079 1 119 . 1 1 10 10 ALA CB C 13 19.700 0.400 . 1 . . . . 10 ALA CB . 7079 1 120 . 1 1 10 10 ALA N N 15 122.924 0.400 . 1 . . . . 10 ALA N . 7079 1 121 . 1 1 11 11 ILE H H 1 7.279 0.020 . 1 . . . . 11 ILE H . 7079 1 122 . 1 1 11 11 ILE HA H 1 3.658 0.020 . 1 . . . . 11 ILE HA . 7079 1 123 . 1 1 11 11 ILE HB H 1 1.333 0.020 . 1 . . . . 11 ILE HB . 7079 1 124 . 1 1 11 11 ILE HG12 H 1 0.661 0.020 . 2 . . . . 11 ILE HG12 . 7079 1 125 . 1 1 11 11 ILE HG13 H 1 1.568 0.020 . 2 . . . . 11 ILE HG13 . 7079 1 126 . 1 1 11 11 ILE HG21 H 1 -0.021 0.020 . 1 . . . . 11 ILE HG2 . 7079 1 127 . 1 1 11 11 ILE HG22 H 1 -0.021 0.020 . 1 . . . . 11 ILE HG2 . 7079 1 128 . 1 1 11 11 ILE HG23 H 1 -0.021 0.020 . 1 . . . . 11 ILE HG2 . 7079 1 129 . 1 1 11 11 ILE HD11 H 1 0.466 0.020 . 1 . . . . 11 ILE HD1 . 7079 1 130 . 1 1 11 11 ILE HD12 H 1 0.466 0.020 . 1 . . . . 11 ILE HD1 . 7079 1 131 . 1 1 11 11 ILE HD13 H 1 0.466 0.020 . 1 . . . . 11 ILE HD1 . 7079 1 132 . 1 1 11 11 ILE C C 13 175.505 0.400 . 1 . . . . 11 ILE C . 7079 1 133 . 1 1 11 11 ILE CA C 13 63.330 0.400 . 1 . . . . 11 ILE CA . 7079 1 134 . 1 1 11 11 ILE CB C 13 38.950 0.400 . 1 . . . . 11 ILE CB . 7079 1 135 . 1 1 11 11 ILE CG1 C 13 28.580 0.400 . 1 . . . . 11 ILE CG1 . 7079 1 136 . 1 1 11 11 ILE CG2 C 13 16.810 0.400 . 1 . . . . 11 ILE CG2 . 7079 1 137 . 1 1 11 11 ILE CD1 C 13 13.470 0.400 . 1 . . . . 11 ILE CD1 . 7079 1 138 . 1 1 11 11 ILE N N 15 115.285 0.400 . 1 . . . . 11 ILE N . 7079 1 139 . 1 1 12 12 PHE H H 1 8.471 0.020 . 1 . . . . 12 PHE H . 7079 1 140 . 1 1 12 12 PHE HA H 1 4.374 0.020 . 1 . . . . 12 PHE HA . 7079 1 141 . 1 1 12 12 PHE HB2 H 1 2.883 0.020 . 2 . . . . 12 PHE HB2 . 7079 1 142 . 1 1 12 12 PHE HB3 H 1 3.188 0.020 . 2 . . . . 12 PHE HB3 . 7079 1 143 . 1 1 12 12 PHE HD1 H 1 7.377 0.020 . 1 . . . . 12 PHE HD1 . 7079 1 144 . 1 1 12 12 PHE HD2 H 1 7.377 0.020 . 1 . . . . 12 PHE HD2 . 7079 1 145 . 1 1 12 12 PHE HE1 H 1 7.122 0.020 . 1 . . . . 12 PHE HE1 . 7079 1 146 . 1 1 12 12 PHE HE2 H 1 7.122 0.020 . 1 . . . . 12 PHE HE2 . 7079 1 147 . 1 1 12 12 PHE C C 13 177.420 0.400 . 1 . . . . 12 PHE C . 7079 1 148 . 1 1 12 12 PHE CA C 13 58.883 0.400 . 1 . . . . 12 PHE CA . 7079 1 149 . 1 1 12 12 PHE CB C 13 39.450 0.400 . 1 . . . . 12 PHE CB . 7079 1 150 . 1 1 12 12 PHE CD1 C 13 131.998 0.400 . 1 . . . . 12 PHE CD1 . 7079 1 151 . 1 1 12 12 PHE CD2 C 13 131.998 0.400 . 1 . . . . 12 PHE CD2 . 7079 1 152 . 1 1 12 12 PHE CE1 C 13 131.247 0.400 . 1 . . . . 12 PHE CE1 . 7079 1 153 . 1 1 12 12 PHE CE2 C 13 131.247 0.400 . 1 . . . . 12 PHE CE2 . 7079 1 154 . 1 1 12 12 PHE N N 15 114.000 0.400 . 1 . . . . 12 PHE N . 7079 1 155 . 1 1 13 13 GLY H H 1 7.811 0.020 . 1 . . . . 13 GLY H . 7079 1 156 . 1 1 13 13 GLY HA2 H 1 3.967 0.020 . 2 . . . . 13 GLY HA2 . 7079 1 157 . 1 1 13 13 GLY HA3 H 1 4.180 0.020 . 2 . . . . 13 GLY HA3 . 7079 1 158 . 1 1 13 13 GLY C C 13 174.078 0.400 . 1 . . . . 13 GLY C . 7079 1 159 . 1 1 13 13 GLY CA C 13 45.740 0.400 . 1 . . . . 13 GLY CA . 7079 1 160 . 1 1 13 13 GLY N N 15 109.000 0.400 . 1 . . . . 13 GLY N . 7079 1 161 . 1 1 14 14 ASP H H 1 8.278 0.020 . 1 . . . . 14 ASP H . 7079 1 162 . 1 1 14 14 ASP HA H 1 4.634 0.020 . 1 . . . . 14 ASP HA . 7079 1 163 . 1 1 14 14 ASP HB2 H 1 2.645 0.020 . 2 . . . . 14 ASP HB2 . 7079 1 164 . 1 1 14 14 ASP HB3 H 1 2.697 0.020 . 2 . . . . 14 ASP HB3 . 7079 1 165 . 1 1 14 14 ASP C C 13 176.963 0.400 . 1 . . . . 14 ASP C . 7079 1 166 . 1 1 14 14 ASP CA C 13 54.660 0.400 . 1 . . . . 14 ASP CA . 7079 1 167 . 1 1 14 14 ASP CB C 13 41.520 0.400 . 1 . . . . 14 ASP CB . 7079 1 168 . 1 1 14 14 ASP N N 15 120.600 0.400 . 1 . . . . 14 ASP N . 7079 1 169 . 1 1 15 15 SER H H 1 8.312 0.020 . 1 . . . . 15 SER H . 7079 1 170 . 1 1 15 15 SER HA H 1 4.368 0.020 . 1 . . . . 15 SER HA . 7079 1 171 . 1 1 15 15 SER HB2 H 1 3.928 0.020 . 2 . . . . 15 SER HB2 . 7079 1 172 . 1 1 15 15 SER HB3 H 1 3.877 0.020 . 2 . . . . 15 SER HB3 . 7079 1 173 . 1 1 15 15 SER C C 13 174.758 0.400 . 1 . . . . 15 SER C . 7079 1 174 . 1 1 15 15 SER CA C 13 59.170 0.400 . 1 . . . . 15 SER CA . 7079 1 175 . 1 1 15 15 SER CB C 13 63.750 0.400 . 1 . . . . 15 SER CB . 7079 1 176 . 1 1 15 15 SER N N 15 116.400 0.400 . 1 . . . . 15 SER N . 7079 1 177 . 1 1 16 16 ALA H H 1 8.229 0.020 . 1 . . . . 16 ALA H . 7079 1 178 . 1 1 16 16 ALA HA H 1 4.235 0.020 . 1 . . . . 16 ALA HA . 7079 1 179 . 1 1 16 16 ALA HB1 H 1 1.359 0.020 . 1 . . . . 16 ALA HB . 7079 1 180 . 1 1 16 16 ALA HB2 H 1 1.359 0.020 . 1 . . . . 16 ALA HB . 7079 1 181 . 1 1 16 16 ALA HB3 H 1 1.359 0.020 . 1 . . . . 16 ALA HB . 7079 1 182 . 1 1 16 16 ALA C C 13 177.527 0.400 . 1 . . . . 16 ALA C . 7079 1 183 . 1 1 16 16 ALA CA C 13 52.670 0.400 . 1 . . . . 16 ALA CA . 7079 1 184 . 1 1 16 16 ALA CB C 13 19.308 0.400 . 1 . . . . 16 ALA CB . 7079 1 185 . 1 1 16 16 ALA N N 15 125.200 0.400 . 1 . . . . 16 ALA N . 7079 1 186 . 1 1 17 17 ALA H H 1 7.995 0.020 . 1 . . . . 17 ALA H . 7079 1 187 . 1 1 17 17 ALA HA H 1 4.317 0.020 . 1 . . . . 17 ALA HA . 7079 1 188 . 1 1 17 17 ALA HB1 H 1 1.360 0.020 . 1 . . . . 17 ALA HB . 7079 1 189 . 1 1 17 17 ALA HB2 H 1 1.360 0.020 . 1 . . . . 17 ALA HB . 7079 1 190 . 1 1 17 17 ALA HB3 H 1 1.360 0.020 . 1 . . . . 17 ALA HB . 7079 1 191 . 1 1 17 17 ALA C C 13 177.275 0.400 . 1 . . . . 17 ALA C . 7079 1 192 . 1 1 17 17 ALA CA C 13 52.590 0.400 . 1 . . . . 17 ALA CA . 7079 1 193 . 1 1 17 17 ALA CB C 13 19.260 0.400 . 1 . . . . 17 ALA CB . 7079 1 194 . 1 1 17 17 ALA N N 15 122.100 0.400 . 1 . . . . 17 ALA N . 7079 1 195 . 1 1 18 18 ALA H H 1 7.995 0.020 . 1 . . . . 18 ALA H . 7079 1 196 . 1 1 18 18 ALA HA H 1 4.317 0.020 . 1 . . . . 18 ALA HA . 7079 1 197 . 1 1 18 18 ALA HB1 H 1 1.360 0.020 . 1 . . . . 18 ALA HB . 7079 1 198 . 1 1 18 18 ALA HB2 H 1 1.360 0.020 . 1 . . . . 18 ALA HB . 7079 1 199 . 1 1 18 18 ALA HB3 H 1 1.360 0.020 . 1 . . . . 18 ALA HB . 7079 1 200 . 1 1 18 18 ALA C C 13 177.373 0.400 . 1 . . . . 18 ALA C . 7079 1 201 . 1 1 18 18 ALA CA C 13 52.590 0.400 . 1 . . . . 18 ALA CA . 7079 1 202 . 1 1 18 18 ALA CB C 13 19.260 0.400 . 1 . . . . 18 ALA CB . 7079 1 203 . 1 1 18 18 ALA N N 15 122.100 0.400 . 1 . . . . 18 ALA N . 7079 1 204 . 1 1 19 19 SER H H 1 8.163 0.020 . 1 . . . . 19 SER H . 7079 1 205 . 1 1 19 19 SER HA H 1 4.753 0.020 . 1 . . . . 19 SER HA . 7079 1 206 . 1 1 19 19 SER HB2 H 1 3.842 0.020 . 1 . . . . 19 SER HB2 . 7079 1 207 . 1 1 19 19 SER HB3 H 1 3.842 0.020 . 1 . . . . 19 SER HB3 . 7079 1 208 . 1 1 19 19 SER C C 13 172.878 0.400 . 1 . . . . 19 SER C . 7079 1 209 . 1 1 19 19 SER CA C 13 56.287 0.400 . 1 . . . . 19 SER CA . 7079 1 210 . 1 1 19 19 SER CB C 13 63.506 0.400 . 1 . . . . 19 SER CB . 7079 1 211 . 1 1 19 19 SER N N 15 115.900 0.400 . 1 . . . . 19 SER N . 7079 1 212 . 1 1 20 20 PRO HA H 1 4.775 0.020 . 1 . . . . 20 PRO HA . 7079 1 213 . 1 1 20 20 PRO HB2 H 1 2.187 0.020 . 2 . . . . 20 PRO HB2 . 7079 1 214 . 1 1 20 20 PRO HB3 H 1 2.332 0.020 . 2 . . . . 20 PRO HB3 . 7079 1 215 . 1 1 20 20 PRO HG2 H 1 1.855 0.020 . 2 . . . . 20 PRO HG2 . 7079 1 216 . 1 1 20 20 PRO HG3 H 1 1.963 0.020 . 2 . . . . 20 PRO HG3 . 7079 1 217 . 1 1 20 20 PRO HD2 H 1 3.662 0.020 . 2 . . . . 20 PRO HD2 . 7079 1 218 . 1 1 20 20 PRO HD3 H 1 3.800 0.020 . 2 . . . . 20 PRO HD3 . 7079 1 219 . 1 1 20 20 PRO C C 13 178.195 0.400 . 1 . . . . 20 PRO C . 7079 1 220 . 1 1 20 20 PRO CA C 13 62.820 0.400 . 1 . . . . 20 PRO CA . 7079 1 221 . 1 1 20 20 PRO CB C 13 34.300 0.400 . 1 . . . . 20 PRO CB . 7079 1 222 . 1 1 20 20 PRO CG C 13 24.700 0.400 . 1 . . . . 20 PRO CG . 7079 1 223 . 1 1 20 20 PRO CD C 13 50.200 0.400 . 1 . . . . 20 PRO CD . 7079 1 224 . 1 1 21 21 GLY H H 1 8.591 0.020 . 1 . . . . 21 GLY H . 7079 1 225 . 1 1 21 21 GLY HA2 H 1 3.966 0.020 . 2 . . . . 21 GLY HA2 . 7079 1 226 . 1 1 21 21 GLY HA3 H 1 4.000 0.020 . 2 . . . . 21 GLY HA3 . 7079 1 227 . 1 1 21 21 GLY C C 13 174.756 0.400 . 1 . . . . 21 GLY C . 7079 1 228 . 1 1 21 21 GLY CA C 13 45.280 0.400 . 1 . . . . 21 GLY CA . 7079 1 229 . 1 1 21 21 GLY N N 15 110.952 0.400 . 1 . . . . 21 GLY N . 7079 1 230 . 1 1 22 22 GLY H H 1 8.200 0.020 . 1 . . . . 22 GLY H . 7079 1 231 . 1 1 22 22 GLY HA2 H 1 3.966 0.020 . 1 . . . . 22 GLY HA2 . 7079 1 232 . 1 1 22 22 GLY HA3 H 1 3.966 0.020 . 1 . . . . 22 GLY HA3 . 7079 1 233 . 1 1 22 22 GLY C C 13 173.999 0.400 . 1 . . . . 22 GLY C . 7079 1 234 . 1 1 22 22 GLY CA C 13 45.280 0.400 . 1 . . . . 22 GLY CA . 7079 1 235 . 1 1 22 22 GLY N N 15 108.800 0.400 . 1 . . . . 22 GLY N . 7079 1 236 . 1 1 23 23 ALA H H 1 8.229 0.020 . 1 . . . . 23 ALA H . 7079 1 237 . 1 1 23 23 ALA HA H 1 4.313 0.020 . 1 . . . . 23 ALA HA . 7079 1 238 . 1 1 23 23 ALA HB1 H 1 1.419 0.020 . 1 . . . . 23 ALA HB . 7079 1 239 . 1 1 23 23 ALA HB2 H 1 1.419 0.020 . 1 . . . . 23 ALA HB . 7079 1 240 . 1 1 23 23 ALA HB3 H 1 1.419 0.020 . 1 . . . . 23 ALA HB . 7079 1 241 . 1 1 23 23 ALA C C 13 177.673 0.400 . 1 . . . . 23 ALA C . 7079 1 242 . 1 1 23 23 ALA CA C 13 52.593 0.400 . 1 . . . . 23 ALA CA . 7079 1 243 . 1 1 23 23 ALA CB C 13 19.180 0.400 . 1 . . . . 23 ALA CB . 7079 1 244 . 1 1 23 23 ALA N N 15 123.700 0.400 . 1 . . . . 23 ALA N . 7079 1 245 . 1 1 24 24 GLN H H 1 8.325 0.020 . 1 . . . . 24 GLN H . 7079 1 246 . 1 1 24 24 GLN HA H 1 4.319 0.020 . 1 . . . . 24 GLN HA . 7079 1 247 . 1 1 24 24 GLN HB2 H 1 1.955 0.020 . 2 . . . . 24 GLN HB2 . 7079 1 248 . 1 1 24 24 GLN HB3 H 1 2.099 0.020 . 2 . . . . 24 GLN HB3 . 7079 1 249 . 1 1 24 24 GLN HG2 H 1 2.367 0.020 . 1 . . . . 24 GLN HG2 . 7079 1 250 . 1 1 24 24 GLN HG3 H 1 2.367 0.020 . 1 . . . . 24 GLN HG3 . 7079 1 251 . 1 1 24 24 GLN C C 13 175.365 0.400 . 1 . . . . 24 GLN C . 7079 1 252 . 1 1 24 24 GLN CA C 13 55.460 0.400 . 1 . . . . 24 GLN CA . 7079 1 253 . 1 1 24 24 GLN CB C 13 29.650 0.400 . 1 . . . . 24 GLN CB . 7079 1 254 . 1 1 24 24 GLN CG C 13 33.920 0.400 . 1 . . . . 24 GLN CG . 7079 1 255 . 1 1 24 24 GLN N N 15 119.300 0.400 . 1 . . . . 24 GLN N . 7079 1 256 . 1 1 25 25 ALA H H 1 8.290 0.020 . 1 . . . . 25 ALA H . 7079 1 257 . 1 1 25 25 ALA HA H 1 4.566 0.020 . 1 . . . . 25 ALA HA . 7079 1 258 . 1 1 25 25 ALA HB1 H 1 1.364 0.020 . 1 . . . . 25 ALA HB . 7079 1 259 . 1 1 25 25 ALA HB2 H 1 1.364 0.020 . 1 . . . . 25 ALA HB . 7079 1 260 . 1 1 25 25 ALA HB3 H 1 1.364 0.020 . 1 . . . . 25 ALA HB . 7079 1 261 . 1 1 25 25 ALA CA C 13 50.510 0.400 . 1 . . . . 25 ALA CA . 7079 1 262 . 1 1 25 25 ALA CB C 13 18.306 0.400 . 1 . . . . 25 ALA CB . 7079 1 263 . 1 1 25 25 ALA N N 15 126.800 0.400 . 1 . . . . 25 ALA N . 7079 1 264 . 1 1 26 26 PRO HA H 1 4.428 0.020 . 1 . . . . 26 PRO HA . 7079 1 265 . 1 1 26 26 PRO HB2 H 1 2.288 0.020 . 2 . . . . 26 PRO HB2 . 7079 1 266 . 1 1 26 26 PRO HB3 H 1 1.920 0.020 . 2 . . . . 26 PRO HB3 . 7079 1 267 . 1 1 26 26 PRO HG2 H 1 2.033 0.020 . 1 . . . . 26 PRO HG2 . 7079 1 268 . 1 1 26 26 PRO HG3 H 1 2.033 0.020 . 1 . . . . 26 PRO HG3 . 7079 1 269 . 1 1 26 26 PRO HD2 H 1 3.670 0.020 . 2 . . . . 26 PRO HD2 . 7079 1 270 . 1 1 26 26 PRO HD3 H 1 3.800 0.020 . 2 . . . . 26 PRO HD3 . 7079 1 271 . 1 1 26 26 PRO C C 13 176.727 0.400 . 1 . . . . 26 PRO C . 7079 1 272 . 1 1 26 26 PRO CA C 13 63.079 0.400 . 1 . . . . 26 PRO CA . 7079 1 273 . 1 1 26 26 PRO CB C 13 32.150 0.400 . 1 . . . . 26 PRO CB . 7079 1 274 . 1 1 26 26 PRO CG C 13 27.449 0.400 . 1 . . . . 26 PRO CG . 7079 1 275 . 1 1 26 26 PRO CD C 13 50.583 0.400 . 1 . . . . 26 PRO CD . 7079 1 276 . 1 1 27 27 ALA H H 1 8.465 0.020 . 1 . . . . 27 ALA H . 7079 1 277 . 1 1 27 27 ALA HA H 1 4.373 0.020 . 1 . . . . 27 ALA HA . 7079 1 278 . 1 1 27 27 ALA HB1 H 1 1.420 0.020 . 1 . . . . 27 ALA HB . 7079 1 279 . 1 1 27 27 ALA HB2 H 1 1.420 0.020 . 1 . . . . 27 ALA HB . 7079 1 280 . 1 1 27 27 ALA HB3 H 1 1.420 0.020 . 1 . . . . 27 ALA HB . 7079 1 281 . 1 1 27 27 ALA C C 13 178.129 0.400 . 1 . . . . 27 ALA C . 7079 1 282 . 1 1 27 27 ALA CA C 13 52.628 0.400 . 1 . . . . 27 ALA CA . 7079 1 283 . 1 1 27 27 ALA CB C 13 19.200 0.400 . 1 . . . . 27 ALA CB . 7079 1 284 . 1 1 27 27 ALA N N 15 124.200 0.400 . 1 . . . . 27 ALA N . 7079 1 285 . 1 1 28 28 THR H H 1 8.177 0.020 . 1 . . . . 28 THR H . 7079 1 286 . 1 1 28 28 THR HA H 1 4.433 0.020 . 1 . . . . 28 THR HA . 7079 1 287 . 1 1 28 28 THR HB H 1 4.284 0.020 . 1 . . . . 28 THR HB . 7079 1 288 . 1 1 28 28 THR HG21 H 1 1.199 0.020 . 1 . . . . 28 THR HG2 . 7079 1 289 . 1 1 28 28 THR HG22 H 1 1.199 0.020 . 1 . . . . 28 THR HG2 . 7079 1 290 . 1 1 28 28 THR HG23 H 1 1.199 0.020 . 1 . . . . 28 THR HG2 . 7079 1 291 . 1 1 28 28 THR C C 13 174.846 0.400 . 1 . . . . 28 THR C . 7079 1 292 . 1 1 28 28 THR CA C 13 61.600 0.400 . 1 . . . . 28 THR CA . 7079 1 293 . 1 1 28 28 THR CB C 13 69.919 0.400 . 1 . . . . 28 THR CB . 7079 1 294 . 1 1 28 28 THR CG2 C 13 20.470 0.400 . 1 . . . . 28 THR CG2 . 7079 1 295 . 1 1 28 28 THR N N 15 112.900 0.400 . 1 . . . . 28 THR N . 7079 1 296 . 1 1 29 29 THR H H 1 8.149 0.020 . 1 . . . . 29 THR H . 7079 1 297 . 1 1 29 29 THR HA H 1 4.363 0.020 . 1 . . . . 29 THR HA . 7079 1 298 . 1 1 29 29 THR HB H 1 4.210 0.020 . 1 . . . . 29 THR HB . 7079 1 299 . 1 1 29 29 THR HG21 H 1 1.229 0.020 . 1 . . . . 29 THR HG2 . 7079 1 300 . 1 1 29 29 THR HG22 H 1 1.229 0.020 . 1 . . . . 29 THR HG2 . 7079 1 301 . 1 1 29 29 THR HG23 H 1 1.229 0.020 . 1 . . . . 29 THR HG2 . 7079 1 302 . 1 1 29 29 THR C C 13 175.122 0.400 . 1 . . . . 29 THR C . 7079 1 303 . 1 1 29 29 THR CA C 13 61.741 0.400 . 1 . . . . 29 THR CA . 7079 1 304 . 1 1 29 29 THR CB C 13 69.991 0.400 . 1 . . . . 29 THR CB . 7079 1 305 . 1 1 29 29 THR CG2 C 13 21.732 0.400 . 1 . . . . 29 THR CG2 . 7079 1 306 . 1 1 29 29 THR N N 15 115.500 0.400 . 1 . . . . 29 THR N . 7079 1 307 . 1 1 30 30 GLY H H 1 8.420 0.020 . 1 . . . . 30 GLY H . 7079 1 308 . 1 1 30 30 GLY HA2 H 1 3.979 0.020 . 1 . . . . 30 GLY HA2 . 7079 1 309 . 1 1 30 30 GLY HA3 H 1 3.979 0.020 . 1 . . . . 30 GLY HA3 . 7079 1 310 . 1 1 30 30 GLY C C 13 173.981 0.400 . 1 . . . . 30 GLY C . 7079 1 311 . 1 1 30 30 GLY CA C 13 45.340 0.400 . 1 . . . . 30 GLY CA . 7079 1 312 . 1 1 30 30 GLY N N 15 111.300 0.400 . 1 . . . . 30 GLY N . 7079 1 313 . 1 1 31 31 ALA H H 1 8.196 0.020 . 1 . . . . 31 ALA H . 7079 1 314 . 1 1 31 31 ALA HA H 1 4.313 0.020 . 1 . . . . 31 ALA HA . 7079 1 315 . 1 1 31 31 ALA HB1 H 1 1.419 0.020 . 1 . . . . 31 ALA HB . 7079 1 316 . 1 1 31 31 ALA HB2 H 1 1.419 0.020 . 1 . . . . 31 ALA HB . 7079 1 317 . 1 1 31 31 ALA HB3 H 1 1.419 0.020 . 1 . . . . 31 ALA HB . 7079 1 318 . 1 1 31 31 ALA C C 13 177.724 0.400 . 1 . . . . 31 ALA C . 7079 1 319 . 1 1 31 31 ALA CA C 13 52.593 0.400 . 1 . . . . 31 ALA CA . 7079 1 320 . 1 1 31 31 ALA CB C 13 19.190 0.400 . 1 . . . . 31 ALA CB . 7079 1 321 . 1 1 31 31 ALA N N 15 124.000 0.400 . 1 . . . . 31 ALA N . 7079 1 322 . 1 1 32 32 ALA H H 1 8.383 0.020 . 1 . . . . 32 ALA H . 7079 1 323 . 1 1 32 32 ALA HA H 1 4.323 0.020 . 1 . . . . 32 ALA HA . 7079 1 324 . 1 1 32 32 ALA HB1 H 1 1.420 0.020 . 1 . . . . 32 ALA HB . 7079 1 325 . 1 1 32 32 ALA HB2 H 1 1.420 0.020 . 1 . . . . 32 ALA HB . 7079 1 326 . 1 1 32 32 ALA HB3 H 1 1.420 0.020 . 1 . . . . 32 ALA HB . 7079 1 327 . 1 1 32 32 ALA C C 13 178.397 0.400 . 1 . . . . 32 ALA C . 7079 1 328 . 1 1 32 32 ALA CA C 13 52.930 0.400 . 1 . . . . 32 ALA CA . 7079 1 329 . 1 1 32 32 ALA CB C 13 19.100 0.400 . 1 . . . . 32 ALA CB . 7079 1 330 . 1 1 32 32 ALA N N 15 123.300 0.400 . 1 . . . . 32 ALA N . 7079 1 331 . 1 1 33 33 GLY H H 1 8.358 0.020 . 1 . . . . 33 GLY H . 7079 1 332 . 1 1 33 33 GLY HA2 H 1 3.950 0.020 . 2 . . . . 33 GLY HA2 . 7079 1 333 . 1 1 33 33 GLY HA3 H 1 4.020 0.020 . 2 . . . . 33 GLY HA3 . 7079 1 334 . 1 1 33 33 GLY C C 13 174.373 0.400 . 1 . . . . 33 GLY C . 7079 1 335 . 1 1 33 33 GLY CA C 13 45.392 0.400 . 1 . . . . 33 GLY CA . 7079 1 336 . 1 1 33 33 GLY N N 15 108.200 0.400 . 1 . . . . 33 GLY N . 7079 1 337 . 1 1 34 34 THR H H 1 7.961 0.020 . 1 . . . . 34 THR H . 7079 1 338 . 1 1 34 34 THR HA H 1 4.383 0.020 . 1 . . . . 34 THR HA . 7079 1 339 . 1 1 34 34 THR HB H 1 4.211 0.020 . 1 . . . . 34 THR HB . 7079 1 340 . 1 1 34 34 THR HG21 H 1 1.196 0.020 . 1 . . . . 34 THR HG2 . 7079 1 341 . 1 1 34 34 THR HG22 H 1 1.196 0.020 . 1 . . . . 34 THR HG2 . 7079 1 342 . 1 1 34 34 THR HG23 H 1 1.196 0.020 . 1 . . . . 34 THR HG2 . 7079 1 343 . 1 1 34 34 THR C C 13 174.097 0.400 . 1 . . . . 34 THR C . 7079 1 344 . 1 1 34 34 THR CA C 13 62.200 0.400 . 1 . . . . 34 THR CA . 7079 1 345 . 1 1 34 34 THR CB C 13 70.022 0.400 . 1 . . . . 34 THR CB . 7079 1 346 . 1 1 34 34 THR CG2 C 13 21.413 0.400 . 1 . . . . 34 THR CG2 . 7079 1 347 . 1 1 34 34 THR N N 15 113.200 0.400 . 1 . . . . 34 THR N . 7079 1 348 . 1 1 35 35 ALA H H 1 8.340 0.020 . 1 . . . . 35 ALA H . 7079 1 349 . 1 1 35 35 ALA HA H 1 4.630 0.020 . 1 . . . . 35 ALA HA . 7079 1 350 . 1 1 35 35 ALA HB1 H 1 1.379 0.020 . 1 . . . . 35 ALA HB . 7079 1 351 . 1 1 35 35 ALA HB2 H 1 1.379 0.020 . 1 . . . . 35 ALA HB . 7079 1 352 . 1 1 35 35 ALA HB3 H 1 1.379 0.020 . 1 . . . . 35 ALA HB . 7079 1 353 . 1 1 35 35 ALA C C 13 175.620 0.400 . 1 . . . . 35 ALA C . 7079 1 354 . 1 1 35 35 ALA CA C 13 50.690 0.400 . 1 . . . . 35 ALA CA . 7079 1 355 . 1 1 35 35 ALA CB C 13 18.375 0.400 . 1 . . . . 35 ALA CB . 7079 1 356 . 1 1 35 35 ALA N N 15 127.800 0.400 . 1 . . . . 35 ALA N . 7079 1 357 . 1 1 36 36 PRO HA H 1 4.501 0.020 . 1 . . . . 36 PRO HA . 7079 1 358 . 1 1 36 36 PRO HB2 H 1 1.945 0.020 . 2 . . . . 36 PRO HB2 . 7079 1 359 . 1 1 36 36 PRO HB3 H 1 2.319 0.020 . 2 . . . . 36 PRO HB3 . 7079 1 360 . 1 1 36 36 PRO HG2 H 1 2.033 0.020 . 2 . . . . 36 PRO HG2 . 7079 1 361 . 1 1 36 36 PRO HG3 H 1 2.292 0.020 . 2 . . . . 36 PRO HG3 . 7079 1 362 . 1 1 36 36 PRO HD2 H 1 3.680 0.020 . 2 . . . . 36 PRO HD2 . 7079 1 363 . 1 1 36 36 PRO HD3 H 1 3.801 0.020 . 2 . . . . 36 PRO HD3 . 7079 1 364 . 1 1 36 36 PRO C C 13 177.113 0.400 . 1 . . . . 36 PRO C . 7079 1 365 . 1 1 36 36 PRO CA C 13 63.324 0.400 . 1 . . . . 36 PRO CA . 7079 1 366 . 1 1 36 36 PRO CB C 13 32.167 0.400 . 1 . . . . 36 PRO CB . 7079 1 367 . 1 1 36 36 PRO CG C 13 27.450 0.400 . 1 . . . . 36 PRO CG . 7079 1 368 . 1 1 36 36 PRO CD C 13 50.600 0.400 . 1 . . . . 36 PRO CD . 7079 1 369 . 1 1 37 37 THR H H 1 8.134 0.020 . 1 . . . . 37 THR H . 7079 1 370 . 1 1 37 37 THR HA H 1 4.295 0.020 . 1 . . . . 37 THR HA . 7079 1 371 . 1 1 37 37 THR HB H 1 4.210 0.020 . 1 . . . . 37 THR HB . 7079 1 372 . 1 1 37 37 THR HG21 H 1 1.227 0.020 . 1 . . . . 37 THR HG2 . 7079 1 373 . 1 1 37 37 THR HG22 H 1 1.227 0.020 . 1 . . . . 37 THR HG2 . 7079 1 374 . 1 1 37 37 THR HG23 H 1 1.227 0.020 . 1 . . . . 37 THR HG2 . 7079 1 375 . 1 1 37 37 THR C C 13 174.005 0.400 . 1 . . . . 37 THR C . 7079 1 376 . 1 1 37 37 THR CA C 13 61.727 0.400 . 1 . . . . 37 THR CA . 7079 1 377 . 1 1 37 37 THR CB C 13 70.020 0.400 . 1 . . . . 37 THR CB . 7079 1 378 . 1 1 37 37 THR CG2 C 13 21.700 0.400 . 1 . . . . 37 THR CG2 . 7079 1 379 . 1 1 37 37 THR N N 15 113.600 0.400 . 1 . . . . 37 THR N . 7079 1 380 . 1 1 38 38 ALA H H 1 8.213 0.020 . 1 . . . . 38 ALA H . 7079 1 381 . 1 1 38 38 ALA HA H 1 4.620 0.020 . 1 . . . . 38 ALA HA . 7079 1 382 . 1 1 38 38 ALA HB1 H 1 1.360 0.020 . 1 . . . . 38 ALA HB . 7079 1 383 . 1 1 38 38 ALA HB2 H 1 1.360 0.020 . 1 . . . . 38 ALA HB . 7079 1 384 . 1 1 38 38 ALA HB3 H 1 1.360 0.020 . 1 . . . . 38 ALA HB . 7079 1 385 . 1 1 38 38 ALA C C 13 175.287 0.400 . 1 . . . . 38 ALA C . 7079 1 386 . 1 1 38 38 ALA CA C 13 50.420 0.400 . 1 . . . . 38 ALA CA . 7079 1 387 . 1 1 38 38 ALA CB C 13 18.140 0.400 . 1 . . . . 38 ALA CB . 7079 1 388 . 1 1 38 38 ALA N N 15 127.700 0.400 . 1 . . . . 38 ALA N . 7079 1 389 . 1 1 41 41 PRO HA H 1 4.497 0.020 . 1 . . . . 41 PRO HA . 7079 1 390 . 1 1 41 41 PRO HB2 H 1 1.900 0.020 . 2 . . . . 41 PRO HB2 . 7079 1 391 . 1 1 41 41 PRO HB3 H 1 2.290 0.020 . 2 . . . . 41 PRO HB3 . 7079 1 392 . 1 1 41 41 PRO HG2 H 1 2.033 0.020 . 2 . . . . 41 PRO HG2 . 7079 1 393 . 1 1 41 41 PRO HG3 H 1 2.292 0.020 . 2 . . . . 41 PRO HG3 . 7079 1 394 . 1 1 41 41 PRO HD2 H 1 3.680 0.020 . 2 . . . . 41 PRO HD2 . 7079 1 395 . 1 1 41 41 PRO HD3 H 1 3.801 0.020 . 2 . . . . 41 PRO HD3 . 7079 1 396 . 1 1 41 41 PRO C C 13 177.018 0.400 . 1 . . . . 41 PRO C . 7079 1 397 . 1 1 41 41 PRO CA C 13 63.320 0.400 . 1 . . . . 41 PRO CA . 7079 1 398 . 1 1 41 41 PRO CB C 13 32.100 0.400 . 1 . . . . 41 PRO CB . 7079 1 399 . 1 1 41 41 PRO CG C 13 27.450 0.400 . 1 . . . . 41 PRO CG . 7079 1 400 . 1 1 41 41 PRO CD C 13 50.600 0.400 . 1 . . . . 41 PRO CD . 7079 1 401 . 1 1 42 42 THR H H 1 8.211 0.020 . 1 . . . . 42 THR H . 7079 1 402 . 1 1 42 42 THR HA H 1 4.295 0.020 . 1 . . . . 42 THR HA . 7079 1 403 . 1 1 42 42 THR HB H 1 4.220 0.020 . 1 . . . . 42 THR HB . 7079 1 404 . 1 1 42 42 THR HG21 H 1 1.229 0.020 . 1 . . . . 42 THR HG2 . 7079 1 405 . 1 1 42 42 THR HG22 H 1 1.229 0.020 . 1 . . . . 42 THR HG2 . 7079 1 406 . 1 1 42 42 THR HG23 H 1 1.229 0.020 . 1 . . . . 42 THR HG2 . 7079 1 407 . 1 1 42 42 THR C C 13 174.097 0.400 . 1 . . . . 42 THR C . 7079 1 408 . 1 1 42 42 THR CA C 13 61.700 0.400 . 1 . . . . 42 THR CA . 7079 1 409 . 1 1 42 42 THR CB C 13 69.690 0.400 . 1 . . . . 42 THR CB . 7079 1 410 . 1 1 42 42 THR CG2 C 13 21.730 0.400 . 1 . . . . 42 THR CG2 . 7079 1 411 . 1 1 42 42 THR N N 15 114.500 0.400 . 1 . . . . 42 THR N . 7079 1 412 . 1 1 43 43 ALA H H 1 8.255 0.020 . 1 . . . . 43 ALA H . 7079 1 413 . 1 1 43 43 ALA HA H 1 4.342 0.020 . 1 . . . . 43 ALA HA . 7079 1 414 . 1 1 43 43 ALA HB1 H 1 1.360 0.020 . 1 . . . . 43 ALA HB . 7079 1 415 . 1 1 43 43 ALA HB2 H 1 1.360 0.020 . 1 . . . . 43 ALA HB . 7079 1 416 . 1 1 43 43 ALA HB3 H 1 1.360 0.020 . 1 . . . . 43 ALA HB . 7079 1 417 . 1 1 43 43 ALA C C 13 176.844 0.400 . 1 . . . . 43 ALA C . 7079 1 418 . 1 1 43 43 ALA CA C 13 52.070 0.400 . 1 . . . . 43 ALA CA . 7079 1 419 . 1 1 43 43 ALA CB C 13 19.260 0.400 . 1 . . . . 43 ALA CB . 7079 1 420 . 1 1 43 43 ALA N N 15 126.600 0.400 . 1 . . . . 43 ALA N . 7079 1 421 . 1 1 44 44 ALA H H 1 8.307 0.020 . 1 . . . . 44 ALA H . 7079 1 422 . 1 1 44 44 ALA HA H 1 4.565 0.020 . 1 . . . . 44 ALA HA . 7079 1 423 . 1 1 44 44 ALA HB1 H 1 1.350 0.020 . 1 . . . . 44 ALA HB . 7079 1 424 . 1 1 44 44 ALA HB2 H 1 1.350 0.020 . 1 . . . . 44 ALA HB . 7079 1 425 . 1 1 44 44 ALA HB3 H 1 1.350 0.020 . 1 . . . . 44 ALA HB . 7079 1 426 . 1 1 44 44 ALA C C 13 175.392 0.400 . 1 . . . . 44 ALA C . 7079 1 427 . 1 1 44 44 ALA CA C 13 50.550 0.400 . 1 . . . . 44 ALA CA . 7079 1 428 . 1 1 44 44 ALA CB C 13 18.140 0.400 . 1 . . . . 44 ALA CB . 7079 1 429 . 1 1 44 44 ALA N N 15 125.400 0.400 . 1 . . . . 44 ALA N . 7079 1 430 . 1 1 45 45 PRO HA H 1 4.431 0.020 . 1 . . . . 45 PRO HA . 7079 1 431 . 1 1 45 45 PRO HB2 H 1 1.945 0.020 . 2 . . . . 45 PRO HB2 . 7079 1 432 . 1 1 45 45 PRO HB3 H 1 2.039 0.020 . 2 . . . . 45 PRO HB3 . 7079 1 433 . 1 1 45 45 PRO HG2 H 1 2.033 0.020 . 2 . . . . 45 PRO HG2 . 7079 1 434 . 1 1 45 45 PRO HG3 H 1 2.292 0.020 . 2 . . . . 45 PRO HG3 . 7079 1 435 . 1 1 45 45 PRO HD2 H 1 3.680 0.020 . 2 . . . . 45 PRO HD2 . 7079 1 436 . 1 1 45 45 PRO HD3 H 1 3.801 0.020 . 2 . . . . 45 PRO HD3 . 7079 1 437 . 1 1 45 45 PRO C C 13 176.520 0.400 . 1 . . . . 45 PRO C . 7079 1 438 . 1 1 45 45 PRO CA C 13 63.080 0.400 . 1 . . . . 45 PRO CA . 7079 1 439 . 1 1 45 45 PRO CB C 13 32.200 0.400 . 1 . . . . 45 PRO CB . 7079 1 440 . 1 1 45 45 PRO CG C 13 27.450 0.400 . 1 . . . . 45 PRO CG . 7079 1 441 . 1 1 45 45 PRO CD C 13 50.600 0.400 . 1 . . . . 45 PRO CD . 7079 1 442 . 1 1 46 46 SER H H 1 8.372 0.020 . 1 . . . . 46 SER H . 7079 1 443 . 1 1 46 46 SER HA H 1 4.838 0.020 . 1 . . . . 46 SER HA . 7079 1 444 . 1 1 46 46 SER HB2 H 1 3.771 0.020 . 1 . . . . 46 SER HB2 . 7079 1 445 . 1 1 46 46 SER HB3 H 1 3.771 0.020 . 1 . . . . 46 SER HB3 . 7079 1 446 . 1 1 46 46 SER C C 13 174.123 0.400 . 1 . . . . 46 SER C . 7079 1 447 . 1 1 46 46 SER CA C 13 58.000 0.400 . 1 . . . . 46 SER CA . 7079 1 448 . 1 1 46 46 SER CB C 13 64.480 0.400 . 1 . . . . 46 SER CB . 7079 1 449 . 1 1 46 46 SER N N 15 116.100 0.400 . 1 . . . . 46 SER N . 7079 1 450 . 1 1 47 47 ILE H H 1 8.189 0.020 . 1 . . . . 47 ILE H . 7079 1 451 . 1 1 47 47 ILE HA H 1 4.371 0.020 . 1 . . . . 47 ILE HA . 7079 1 452 . 1 1 47 47 ILE HB H 1 1.684 0.020 . 1 . . . . 47 ILE HB . 7079 1 453 . 1 1 47 47 ILE HG12 H 1 1.406 0.020 . 2 . . . . 47 ILE HG12 . 7079 1 454 . 1 1 47 47 ILE HG13 H 1 1.194 0.020 . 2 . . . . 47 ILE HG13 . 7079 1 455 . 1 1 47 47 ILE HG21 H 1 0.685 0.020 . 1 . . . . 47 ILE HG2 . 7079 1 456 . 1 1 47 47 ILE HG22 H 1 0.685 0.020 . 1 . . . . 47 ILE HG2 . 7079 1 457 . 1 1 47 47 ILE HG23 H 1 0.685 0.020 . 1 . . . . 47 ILE HG2 . 7079 1 458 . 1 1 47 47 ILE HD11 H 1 0.732 0.020 . 1 . . . . 47 ILE HD1 . 7079 1 459 . 1 1 47 47 ILE HD12 H 1 0.732 0.020 . 1 . . . . 47 ILE HD1 . 7079 1 460 . 1 1 47 47 ILE HD13 H 1 0.732 0.020 . 1 . . . . 47 ILE HD1 . 7079 1 461 . 1 1 47 47 ILE C C 13 174.693 0.400 . 1 . . . . 47 ILE C . 7079 1 462 . 1 1 47 47 ILE CA C 13 59.170 0.400 . 1 . . . . 47 ILE CA . 7079 1 463 . 1 1 47 47 ILE CB C 13 40.450 0.400 . 1 . . . . 47 ILE CB . 7079 1 464 . 1 1 47 47 ILE CG1 C 13 27.350 0.400 . 1 . . . . 47 ILE CG1 . 7079 1 465 . 1 1 47 47 ILE CG2 C 13 17.510 0.400 . 1 . . . . 47 ILE CG2 . 7079 1 466 . 1 1 47 47 ILE CD1 C 13 12.920 0.400 . 1 . . . . 47 ILE CD1 . 7079 1 467 . 1 1 47 47 ILE N N 15 123.200 0.400 . 1 . . . . 47 ILE N . 7079 1 468 . 1 1 48 48 ASP H H 1 8.633 0.020 . 1 . . . . 48 ASP H . 7079 1 469 . 1 1 48 48 ASP HA H 1 4.810 0.020 . 1 . . . . 48 ASP HA . 7079 1 470 . 1 1 48 48 ASP HB2 H 1 2.564 0.020 . 2 . . . . 48 ASP HB2 . 7079 1 471 . 1 1 48 48 ASP HB3 H 1 2.729 0.020 . 2 . . . . 48 ASP HB3 . 7079 1 472 . 1 1 48 48 ASP C C 13 175.995 0.400 . 1 . . . . 48 ASP C . 7079 1 473 . 1 1 48 48 ASP CA C 13 54.290 0.400 . 1 . . . . 48 ASP CA . 7079 1 474 . 1 1 48 48 ASP CB C 13 40.410 0.400 . 1 . . . . 48 ASP CB . 7079 1 475 . 1 1 48 48 ASP N N 15 127.300 0.400 . 1 . . . . 48 ASP N . 7079 1 476 . 1 1 49 49 VAL H H 1 8.125 0.020 . 1 . . . . 49 VAL H . 7079 1 477 . 1 1 49 49 VAL HA H 1 3.569 0.020 . 1 . . . . 49 VAL HA . 7079 1 478 . 1 1 49 49 VAL HB H 1 1.905 0.020 . 1 . . . . 49 VAL HB . 7079 1 479 . 1 1 49 49 VAL HG11 H 1 0.568 0.020 . 2 . . . . 49 VAL HG1 . 7079 1 480 . 1 1 49 49 VAL HG12 H 1 0.568 0.020 . 2 . . . . 49 VAL HG1 . 7079 1 481 . 1 1 49 49 VAL HG13 H 1 0.568 0.020 . 2 . . . . 49 VAL HG1 . 7079 1 482 . 1 1 49 49 VAL HG21 H 1 0.821 0.020 . 2 . . . . 49 VAL HG2 . 7079 1 483 . 1 1 49 49 VAL HG22 H 1 0.821 0.020 . 2 . . . . 49 VAL HG2 . 7079 1 484 . 1 1 49 49 VAL HG23 H 1 0.821 0.020 . 2 . . . . 49 VAL HG2 . 7079 1 485 . 1 1 49 49 VAL C C 13 176.697 0.400 . 1 . . . . 49 VAL C . 7079 1 486 . 1 1 49 49 VAL CA C 13 64.850 0.400 . 1 . . . . 49 VAL CA . 7079 1 487 . 1 1 49 49 VAL CB C 13 32.670 0.400 . 1 . . . . 49 VAL CB . 7079 1 488 . 1 1 49 49 VAL CG1 C 13 21.900 0.400 . 1 . . . . 49 VAL CG1 . 7079 1 489 . 1 1 49 49 VAL CG2 C 13 21.600 0.400 . 1 . . . . 49 VAL CG2 . 7079 1 490 . 1 1 49 49 VAL N N 15 124.400 0.400 . 1 . . . . 49 VAL N . 7079 1 491 . 1 1 50 50 ALA H H 1 9.424 0.020 . 1 . . . . 50 ALA H . 7079 1 492 . 1 1 50 50 ALA HA H 1 4.383 0.020 . 1 . . . . 50 ALA HA . 7079 1 493 . 1 1 50 50 ALA HB1 H 1 1.716 0.020 . 1 . . . . 50 ALA HB . 7079 1 494 . 1 1 50 50 ALA HB2 H 1 1.716 0.020 . 1 . . . . 50 ALA HB . 7079 1 495 . 1 1 50 50 ALA HB3 H 1 1.716 0.020 . 1 . . . . 50 ALA HB . 7079 1 496 . 1 1 50 50 ALA C C 13 175.273 0.400 . 1 . . . . 50 ALA C . 7079 1 497 . 1 1 50 50 ALA CA C 13 56.820 0.400 . 1 . . . . 50 ALA CA . 7079 1 498 . 1 1 50 50 ALA CB C 13 15.900 0.400 . 1 . . . . 50 ALA CB . 7079 1 499 . 1 1 50 50 ALA N N 15 121.900 0.400 . 1 . . . . 50 ALA N . 7079 1 500 . 1 1 51 51 PRO HA H 1 4.428 0.020 . 1 . . . . 51 PRO HA . 7079 1 501 . 1 1 51 51 PRO HB2 H 1 1.816 0.020 . 2 . . . . 51 PRO HB2 . 7079 1 502 . 1 1 51 51 PRO HB3 H 1 2.378 0.020 . 2 . . . . 51 PRO HB3 . 7079 1 503 . 1 1 51 51 PRO HG2 H 1 1.994 0.020 . 2 . . . . 51 PRO HG2 . 7079 1 504 . 1 1 51 51 PRO HG3 H 1 2.072 0.020 . 2 . . . . 51 PRO HG3 . 7079 1 505 . 1 1 51 51 PRO HD2 H 1 3.497 0.020 . 2 . . . . 51 PRO HD2 . 7079 1 506 . 1 1 51 51 PRO HD3 H 1 3.600 0.020 . 2 . . . . 51 PRO HD3 . 7079 1 507 . 1 1 51 51 PRO C C 13 179.640 0.400 . 1 . . . . 51 PRO C . 7079 1 508 . 1 1 51 51 PRO CA C 13 65.860 0.400 . 1 . . . . 51 PRO CA . 7079 1 509 . 1 1 51 51 PRO CB C 13 31.300 0.400 . 1 . . . . 51 PRO CB . 7079 1 510 . 1 1 51 51 PRO CG C 13 28.500 0.400 . 1 . . . . 51 PRO CG . 7079 1 511 . 1 1 51 51 PRO CD C 13 50.160 0.400 . 1 . . . . 51 PRO CD . 7079 1 512 . 1 1 52 52 ILE H H 1 6.712 0.020 . 1 . . . . 52 ILE H . 7079 1 513 . 1 1 52 52 ILE HA H 1 3.583 0.020 . 1 . . . . 52 ILE HA . 7079 1 514 . 1 1 52 52 ILE HB H 1 1.783 0.020 . 1 . . . . 52 ILE HB . 7079 1 515 . 1 1 52 52 ILE HG12 H 1 1.029 0.020 . 2 . . . . 52 ILE HG12 . 7079 1 516 . 1 1 52 52 ILE HG13 H 1 1.667 0.020 . 2 . . . . 52 ILE HG13 . 7079 1 517 . 1 1 52 52 ILE HG21 H 1 0.796 0.020 . 1 . . . . 52 ILE HG2 . 7079 1 518 . 1 1 52 52 ILE HG22 H 1 0.796 0.020 . 1 . . . . 52 ILE HG2 . 7079 1 519 . 1 1 52 52 ILE HG23 H 1 0.796 0.020 . 1 . . . . 52 ILE HG2 . 7079 1 520 . 1 1 52 52 ILE HD11 H 1 0.821 0.020 . 1 . . . . 52 ILE HD1 . 7079 1 521 . 1 1 52 52 ILE HD12 H 1 0.821 0.020 . 1 . . . . 52 ILE HD1 . 7079 1 522 . 1 1 52 52 ILE HD13 H 1 0.821 0.020 . 1 . . . . 52 ILE HD1 . 7079 1 523 . 1 1 52 52 ILE C C 13 178.877 0.400 . 1 . . . . 52 ILE C . 7079 1 524 . 1 1 52 52 ILE CA C 13 65.328 0.400 . 1 . . . . 52 ILE CA . 7079 1 525 . 1 1 52 52 ILE CB C 13 38.830 0.400 . 1 . . . . 52 ILE CB . 7079 1 526 . 1 1 52 52 ILE CG1 C 13 28.420 0.400 . 1 . . . . 52 ILE CG1 . 7079 1 527 . 1 1 52 52 ILE CG2 C 13 16.790 0.400 . 1 . . . . 52 ILE CG2 . 7079 1 528 . 1 1 52 52 ILE CD1 C 13 14.290 0.400 . 1 . . . . 52 ILE CD1 . 7079 1 529 . 1 1 52 52 ILE N N 15 116.700 0.400 . 1 . . . . 52 ILE N . 7079 1 530 . 1 1 53 53 LEU H H 1 7.256 0.020 . 1 . . . . 53 LEU H . 7079 1 531 . 1 1 53 53 LEU HA H 1 3.654 0.020 . 1 . . . . 53 LEU HA . 7079 1 532 . 1 1 53 53 LEU HB2 H 1 -0.603 0.020 . 2 . . . . 53 LEU HB2 . 7079 1 533 . 1 1 53 53 LEU HB3 H 1 0.335 0.020 . 2 . . . . 53 LEU HB3 . 7079 1 534 . 1 1 53 53 LEU HG H 1 0.706 0.020 . 1 . . . . 53 LEU HG . 7079 1 535 . 1 1 53 53 LEU HD11 H 1 -0.393 0.020 . 2 . . . . 53 LEU HD1 . 7079 1 536 . 1 1 53 53 LEU HD12 H 1 -0.393 0.020 . 2 . . . . 53 LEU HD1 . 7079 1 537 . 1 1 53 53 LEU HD13 H 1 -0.393 0.020 . 2 . . . . 53 LEU HD1 . 7079 1 538 . 1 1 53 53 LEU HD21 H 1 0.253 0.020 . 2 . . . . 53 LEU HD2 . 7079 1 539 . 1 1 53 53 LEU HD22 H 1 0.253 0.020 . 2 . . . . 53 LEU HD2 . 7079 1 540 . 1 1 53 53 LEU HD23 H 1 0.253 0.020 . 2 . . . . 53 LEU HD2 . 7079 1 541 . 1 1 53 53 LEU C C 13 178.571 0.400 . 1 . . . . 53 LEU C . 7079 1 542 . 1 1 53 53 LEU CA C 13 57.270 0.400 . 1 . . . . 53 LEU CA . 7079 1 543 . 1 1 53 53 LEU CB C 13 38.760 0.400 . 1 . . . . 53 LEU CB . 7079 1 544 . 1 1 53 53 LEU CG C 13 27.200 0.400 . 1 . . . . 53 LEU CG . 7079 1 545 . 1 1 53 53 LEU CD1 C 13 24.500 0.400 . 1 . . . . 53 LEU CD1 . 7079 1 546 . 1 1 53 53 LEU CD2 C 13 23.290 0.400 . 1 . . . . 53 LEU CD2 . 7079 1 547 . 1 1 53 53 LEU N N 15 121.700 0.400 . 1 . . . . 53 LEU N . 7079 1 548 . 1 1 54 54 ASP H H 1 9.372 0.020 . 1 . . . . 54 ASP H . 7079 1 549 . 1 1 54 54 ASP HA H 1 4.778 0.020 . 1 . . . . 54 ASP HA . 7079 1 550 . 1 1 54 54 ASP HB2 H 1 2.750 0.020 . 2 . . . . 54 ASP HB2 . 7079 1 551 . 1 1 54 54 ASP HB3 H 1 2.812 0.020 . 2 . . . . 54 ASP HB3 . 7079 1 552 . 1 1 54 54 ASP C C 13 179.746 0.400 . 1 . . . . 54 ASP C . 7079 1 553 . 1 1 54 54 ASP CA C 13 57.860 0.400 . 1 . . . . 54 ASP CA . 7079 1 554 . 1 1 54 54 ASP CB C 13 39.300 0.400 . 1 . . . . 54 ASP CB . 7079 1 555 . 1 1 54 54 ASP N N 15 119.200 0.400 . 1 . . . . 54 ASP N . 7079 1 556 . 1 1 55 55 LYS H H 1 7.761 0.020 . 1 . . . . 55 LYS H . 7079 1 557 . 1 1 55 55 LYS HA H 1 4.101 0.020 . 1 . . . . 55 LYS HA . 7079 1 558 . 1 1 55 55 LYS HB2 H 1 1.997 0.020 . 1 . . . . 55 LYS HB2 . 7079 1 559 . 1 1 55 55 LYS HB3 H 1 1.997 0.020 . 1 . . . . 55 LYS HB3 . 7079 1 560 . 1 1 55 55 LYS HG2 H 1 1.423 0.020 . 2 . . . . 55 LYS HG2 . 7079 1 561 . 1 1 55 55 LYS HG3 H 1 1.614 0.020 . 2 . . . . 55 LYS HG3 . 7079 1 562 . 1 1 55 55 LYS HD2 H 1 1.692 0.020 . 2 . . . . 55 LYS HD2 . 7079 1 563 . 1 1 55 55 LYS HD3 H 1 1.744 0.020 . 2 . . . . 55 LYS HD3 . 7079 1 564 . 1 1 55 55 LYS HE2 H 1 2.950 0.020 . 2 . . . . 55 LYS HE2 . 7079 1 565 . 1 1 55 55 LYS HE3 H 1 3.000 0.020 . 2 . . . . 55 LYS HE3 . 7079 1 566 . 1 1 55 55 LYS C C 13 178.703 0.400 . 1 . . . . 55 LYS C . 7079 1 567 . 1 1 55 55 LYS CA C 13 59.790 0.400 . 1 . . . . 55 LYS CA . 7079 1 568 . 1 1 55 55 LYS CB C 13 32.320 0.400 . 1 . . . . 55 LYS CB . 7079 1 569 . 1 1 55 55 LYS CG C 13 25.310 0.400 . 1 . . . . 55 LYS CG . 7079 1 570 . 1 1 55 55 LYS CD C 13 29.550 0.400 . 1 . . . . 55 LYS CD . 7079 1 571 . 1 1 55 55 LYS CE C 13 42.130 0.400 . 1 . . . . 55 LYS CE . 7079 1 572 . 1 1 55 55 LYS N N 15 121.800 0.400 . 1 . . . . 55 LYS N . 7079 1 573 . 1 1 56 56 ALA H H 1 7.492 0.020 . 1 . . . . 56 ALA H . 7079 1 574 . 1 1 56 56 ALA HA H 1 4.223 0.020 . 1 . . . . 56 ALA HA . 7079 1 575 . 1 1 56 56 ALA HB1 H 1 1.513 0.020 . 1 . . . . 56 ALA HB . 7079 1 576 . 1 1 56 56 ALA HB2 H 1 1.513 0.020 . 1 . . . . 56 ALA HB . 7079 1 577 . 1 1 56 56 ALA HB3 H 1 1.513 0.020 . 1 . . . . 56 ALA HB . 7079 1 578 . 1 1 56 56 ALA C C 13 180.776 0.400 . 1 . . . . 56 ALA C . 7079 1 579 . 1 1 56 56 ALA CA C 13 55.020 0.400 . 1 . . . . 56 ALA CA . 7079 1 580 . 1 1 56 56 ALA CB C 13 17.200 0.400 . 1 . . . . 56 ALA CB . 7079 1 581 . 1 1 56 56 ALA N N 15 123.400 0.400 . 1 . . . . 56 ALA N . 7079 1 582 . 1 1 57 57 VAL H H 1 8.296 0.020 . 1 . . . . 57 VAL H . 7079 1 583 . 1 1 57 57 VAL HA H 1 3.620 0.020 . 1 . . . . 57 VAL HA . 7079 1 584 . 1 1 57 57 VAL HB H 1 2.514 0.020 . 1 . . . . 57 VAL HB . 7079 1 585 . 1 1 57 57 VAL HG11 H 1 1.318 0.020 . 2 . . . . 57 VAL HG1 . 7079 1 586 . 1 1 57 57 VAL HG12 H 1 1.318 0.020 . 2 . . . . 57 VAL HG1 . 7079 1 587 . 1 1 57 57 VAL HG13 H 1 1.318 0.020 . 2 . . . . 57 VAL HG1 . 7079 1 588 . 1 1 57 57 VAL HG21 H 1 1.468 0.020 . 2 . . . . 57 VAL HG2 . 7079 1 589 . 1 1 57 57 VAL HG22 H 1 1.468 0.020 . 2 . . . . 57 VAL HG2 . 7079 1 590 . 1 1 57 57 VAL HG23 H 1 1.468 0.020 . 2 . . . . 57 VAL HG2 . 7079 1 591 . 1 1 57 57 VAL C C 13 178.727 0.400 . 1 . . . . 57 VAL C . 7079 1 592 . 1 1 57 57 VAL CA C 13 67.570 0.400 . 1 . . . . 57 VAL CA . 7079 1 593 . 1 1 57 57 VAL CB C 13 32.240 0.400 . 1 . . . . 57 VAL CB . 7079 1 594 . 1 1 57 57 VAL CG1 C 13 22.410 0.400 . 1 . . . . 57 VAL CG1 . 7079 1 595 . 1 1 57 57 VAL CG2 C 13 26.920 0.400 . 1 . . . . 57 VAL CG2 . 7079 1 596 . 1 1 57 57 VAL N N 15 117.300 0.400 . 1 . . . . 57 VAL N . 7079 1 597 . 1 1 58 58 LYS H H 1 8.079 0.020 . 1 . . . . 58 LYS H . 7079 1 598 . 1 1 58 58 LYS HA H 1 4.125 0.020 . 1 . . . . 58 LYS HA . 7079 1 599 . 1 1 58 58 LYS HB2 H 1 1.990 0.020 . 1 . . . . 58 LYS HB2 . 7079 1 600 . 1 1 58 58 LYS HB3 H 1 1.990 0.020 . 1 . . . . 58 LYS HB3 . 7079 1 601 . 1 1 58 58 LYS HG2 H 1 1.511 0.020 . 1 . . . . 58 LYS HG2 . 7079 1 602 . 1 1 58 58 LYS HG3 H 1 1.511 0.020 . 1 . . . . 58 LYS HG3 . 7079 1 603 . 1 1 58 58 LYS HD2 H 1 1.747 0.020 . 1 . . . . 58 LYS HD2 . 7079 1 604 . 1 1 58 58 LYS HD3 H 1 1.747 0.020 . 1 . . . . 58 LYS HD3 . 7079 1 605 . 1 1 58 58 LYS HE2 H 1 3.000 0.020 . 1 . . . . 58 LYS HE2 . 7079 1 606 . 1 1 58 58 LYS HE3 H 1 3.000 0.020 . 1 . . . . 58 LYS HE3 . 7079 1 607 . 1 1 58 58 LYS C C 13 179.148 0.400 . 1 . . . . 58 LYS C . 7079 1 608 . 1 1 58 58 LYS CA C 13 59.370 0.400 . 1 . . . . 58 LYS CA . 7079 1 609 . 1 1 58 58 LYS CB C 13 32.280 0.400 . 1 . . . . 58 LYS CB . 7079 1 610 . 1 1 58 58 LYS CG C 13 25.070 0.400 . 1 . . . . 58 LYS CG . 7079 1 611 . 1 1 58 58 LYS CD C 13 29.380 0.400 . 1 . . . . 58 LYS CD . 7079 1 612 . 1 1 58 58 LYS CE C 13 42.100 0.400 . 1 . . . . 58 LYS CE . 7079 1 613 . 1 1 58 58 LYS N N 15 120.900 0.400 . 1 . . . . 58 LYS N . 7079 1 614 . 1 1 59 59 ALA H H 1 7.918 0.020 . 1 . . . . 59 ALA H . 7079 1 615 . 1 1 59 59 ALA HA H 1 4.207 0.020 . 1 . . . . 59 ALA HA . 7079 1 616 . 1 1 59 59 ALA HB1 H 1 1.544 0.020 . 1 . . . . 59 ALA HB . 7079 1 617 . 1 1 59 59 ALA HB2 H 1 1.544 0.020 . 1 . . . . 59 ALA HB . 7079 1 618 . 1 1 59 59 ALA HB3 H 1 1.544 0.020 . 1 . . . . 59 ALA HB . 7079 1 619 . 1 1 59 59 ALA C C 13 179.446 0.400 . 1 . . . . 59 ALA C . 7079 1 620 . 1 1 59 59 ALA CA C 13 54.240 0.400 . 1 . . . . 59 ALA CA . 7079 1 621 . 1 1 59 59 ALA CB C 13 18.370 0.400 . 1 . . . . 59 ALA CB . 7079 1 622 . 1 1 59 59 ALA N N 15 120.000 0.400 . 1 . . . . 59 ALA N . 7079 1 623 . 1 1 60 60 LYS H H 1 7.697 0.020 . 1 . . . . 60 LYS H . 7079 1 624 . 1 1 60 60 LYS HA H 1 4.282 0.020 . 1 . . . . 60 LYS HA . 7079 1 625 . 1 1 60 60 LYS HB2 H 1 1.976 0.020 . 2 . . . . 60 LYS HB2 . 7079 1 626 . 1 1 60 60 LYS HB3 H 1 2.110 0.020 . 2 . . . . 60 LYS HB3 . 7079 1 627 . 1 1 60 60 LYS HG2 H 1 1.640 0.020 . 1 . . . . 60 LYS HG2 . 7079 1 628 . 1 1 60 60 LYS HG3 H 1 1.640 0.020 . 1 . . . . 60 LYS HG3 . 7079 1 629 . 1 1 60 60 LYS HD2 H 1 1.670 0.020 . 1 . . . . 60 LYS HD2 . 7079 1 630 . 1 1 60 60 LYS HD3 H 1 1.670 0.020 . 1 . . . . 60 LYS HD3 . 7079 1 631 . 1 1 60 60 LYS HE2 H 1 2.974 0.020 . 1 . . . . 60 LYS HE2 . 7079 1 632 . 1 1 60 60 LYS HE3 H 1 2.974 0.020 . 1 . . . . 60 LYS HE3 . 7079 1 633 . 1 1 60 60 LYS C C 13 178.329 0.400 . 1 . . . . 60 LYS C . 7079 1 634 . 1 1 60 60 LYS CA C 13 56.910 0.400 . 1 . . . . 60 LYS CA . 7079 1 635 . 1 1 60 60 LYS CB C 13 33.130 0.400 . 1 . . . . 60 LYS CB . 7079 1 636 . 1 1 60 60 LYS CG C 13 25.380 0.400 . 1 . . . . 60 LYS CG . 7079 1 637 . 1 1 60 60 LYS CD C 13 29.150 0.400 . 1 . . . . 60 LYS CD . 7079 1 638 . 1 1 60 60 LYS N N 15 116.600 0.400 . 1 . . . . 60 LYS N . 7079 1 639 . 1 1 61 61 GLY H H 1 8.035 0.020 . 1 . . . . 61 GLY H . 7079 1 640 . 1 1 61 61 GLY HA2 H 1 3.950 0.020 . 2 . . . . 61 GLY HA2 . 7079 1 641 . 1 1 61 61 GLY HA3 H 1 3.980 0.020 . 2 . . . . 61 GLY HA3 . 7079 1 642 . 1 1 61 61 GLY C C 13 173.719 0.400 . 1 . . . . 61 GLY C . 7079 1 643 . 1 1 61 61 GLY CA C 13 46.513 0.400 . 1 . . . . 61 GLY CA . 7079 1 644 . 1 1 61 61 GLY N N 15 106.300 0.400 . 1 . . . . 61 GLY N . 7079 1 645 . 1 1 62 62 GLU H H 1 6.920 0.020 . 1 . . . . 62 GLU H . 7079 1 646 . 1 1 62 62 GLU HA H 1 4.575 0.020 . 1 . . . . 62 GLU HA . 7079 1 647 . 1 1 62 62 GLU HB2 H 1 1.661 0.020 . 2 . . . . 62 GLU HB2 . 7079 1 648 . 1 1 62 62 GLU HB3 H 1 1.969 0.020 . 2 . . . . 62 GLU HB3 . 7079 1 649 . 1 1 62 62 GLU HG2 H 1 2.135 0.020 . 1 . . . . 62 GLU HG2 . 7079 1 650 . 1 1 62 62 GLU HG3 H 1 2.135 0.020 . 1 . . . . 62 GLU HG3 . 7079 1 651 . 1 1 62 62 GLU C C 13 175.315 0.400 . 1 . . . . 62 GLU C . 7079 1 652 . 1 1 62 62 GLU CA C 13 54.230 0.400 . 1 . . . . 62 GLU CA . 7079 1 653 . 1 1 62 62 GLU CB C 13 36.040 0.400 . 1 . . . . 62 GLU CB . 7079 1 654 . 1 1 62 62 GLU CG C 13 33.700 0.400 . 1 . . . . 62 GLU CG . 7079 1 655 . 1 1 62 62 GLU N N 15 116.300 0.400 . 1 . . . . 62 GLU N . 7079 1 656 . 1 1 63 63 LYS H H 1 8.697 0.020 . 1 . . . . 63 LYS H . 7079 1 657 . 1 1 63 63 LYS HA H 1 4.298 0.020 . 1 . . . . 63 LYS HA . 7079 1 658 . 1 1 63 63 LYS HB2 H 1 1.774 0.020 . 2 . . . . 63 LYS HB2 . 7079 1 659 . 1 1 63 63 LYS HB3 H 1 1.817 0.020 . 2 . . . . 63 LYS HB3 . 7079 1 660 . 1 1 63 63 LYS HG2 H 1 1.299 0.020 . 2 . . . . 63 LYS HG2 . 7079 1 661 . 1 1 63 63 LYS HG3 H 1 1.435 0.020 . 2 . . . . 63 LYS HG3 . 7079 1 662 . 1 1 63 63 LYS HD2 H 1 1.679 0.020 . 1 . . . . 63 LYS HD2 . 7079 1 663 . 1 1 63 63 LYS HD3 H 1 1.679 0.020 . 1 . . . . 63 LYS HD3 . 7079 1 664 . 1 1 63 63 LYS HE2 H 1 2.970 0.020 . 2 . . . . 63 LYS HE2 . 7079 1 665 . 1 1 63 63 LYS HE3 H 1 3.148 0.020 . 2 . . . . 63 LYS HE3 . 7079 1 666 . 1 1 63 63 LYS C C 13 175.461 0.400 . 1 . . . . 63 LYS C . 7079 1 667 . 1 1 63 63 LYS CA C 13 56.380 0.400 . 1 . . . . 63 LYS CA . 7079 1 668 . 1 1 63 63 LYS CB C 13 32.620 0.400 . 1 . . . . 63 LYS CB . 7079 1 669 . 1 1 63 63 LYS CG C 13 24.710 0.400 . 1 . . . . 63 LYS CG . 7079 1 670 . 1 1 63 63 LYS CD C 13 28.860 0.400 . 1 . . . . 63 LYS CD . 7079 1 671 . 1 1 63 63 LYS CE C 13 42.100 0.400 . 1 . . . . 63 LYS CE . 7079 1 672 . 1 1 63 63 LYS N N 15 123.900 0.400 . 1 . . . . 63 LYS N . 7079 1 673 . 1 1 64 64 LEU H H 1 7.461 0.020 . 1 . . . . 64 LEU H . 7079 1 674 . 1 1 64 64 LEU HA H 1 4.576 0.020 . 1 . . . . 64 LEU HA . 7079 1 675 . 1 1 64 64 LEU HB2 H 1 1.240 0.020 . 2 . . . . 64 LEU HB2 . 7079 1 676 . 1 1 64 64 LEU HB3 H 1 2.021 0.020 . 2 . . . . 64 LEU HB3 . 7079 1 677 . 1 1 64 64 LEU HG H 1 1.540 0.020 . 1 . . . . 64 LEU HG . 7079 1 678 . 1 1 64 64 LEU HD11 H 1 0.898 0.020 . 2 . . . . 64 LEU HD1 . 7079 1 679 . 1 1 64 64 LEU HD12 H 1 0.898 0.020 . 2 . . . . 64 LEU HD1 . 7079 1 680 . 1 1 64 64 LEU HD13 H 1 0.898 0.020 . 2 . . . . 64 LEU HD1 . 7079 1 681 . 1 1 64 64 LEU HD21 H 1 0.910 0.020 . 2 . . . . 64 LEU HD2 . 7079 1 682 . 1 1 64 64 LEU HD22 H 1 0.910 0.020 . 2 . . . . 64 LEU HD2 . 7079 1 683 . 1 1 64 64 LEU HD23 H 1 0.910 0.020 . 2 . . . . 64 LEU HD2 . 7079 1 684 . 1 1 64 64 LEU C C 13 176.327 0.400 . 1 . . . . 64 LEU C . 7079 1 685 . 1 1 64 64 LEU CA C 13 53.460 0.400 . 1 . . . . 64 LEU CA . 7079 1 686 . 1 1 64 64 LEU CB C 13 45.260 0.400 . 1 . . . . 64 LEU CB . 7079 1 687 . 1 1 64 64 LEU CG C 13 26.658 0.400 . 1 . . . . 64 LEU CG . 7079 1 688 . 1 1 64 64 LEU CD1 C 13 23.510 0.400 . 1 . . . . 64 LEU CD1 . 7079 1 689 . 1 1 64 64 LEU CD2 C 13 25.530 0.400 . 1 . . . . 64 LEU CD2 . 7079 1 690 . 1 1 64 64 LEU N N 15 126.800 0.400 . 1 . . . . 64 LEU N . 7079 1 691 . 1 1 65 65 GLU H H 1 10.933 0.020 . 1 . . . . 65 GLU H . 7079 1 692 . 1 1 65 65 GLU HA H 1 4.620 0.020 . 1 . . . . 65 GLU HA . 7079 1 693 . 1 1 65 65 GLU HB2 H 1 1.828 0.020 . 2 . . . . 65 GLU HB2 . 7079 1 694 . 1 1 65 65 GLU HB3 H 1 1.974 0.020 . 2 . . . . 65 GLU HB3 . 7079 1 695 . 1 1 65 65 GLU HG2 H 1 2.107 0.020 . 2 . . . . 65 GLU HG2 . 7079 1 696 . 1 1 65 65 GLU HG3 H 1 2.282 0.020 . 2 . . . . 65 GLU HG3 . 7079 1 697 . 1 1 65 65 GLU C C 13 176.340 0.400 . 1 . . . . 65 GLU C . 7079 1 698 . 1 1 65 65 GLU CA C 13 54.330 0.400 . 1 . . . . 65 GLU CA . 7079 1 699 . 1 1 65 65 GLU CB C 13 28.660 0.400 . 1 . . . . 65 GLU CB . 7079 1 700 . 1 1 65 65 GLU CG C 13 35.970 0.400 . 1 . . . . 65 GLU CG . 7079 1 701 . 1 1 65 65 GLU N N 15 128.541 0.400 . 1 . . . . 65 GLU N . 7079 1 702 . 1 1 66 66 TRP H H 1 7.269 0.020 . 1 . . . . 66 TRP H . 7079 1 703 . 1 1 66 66 TRP HA H 1 4.439 0.020 . 1 . . . . 66 TRP HA . 7079 1 704 . 1 1 66 66 TRP HB2 H 1 2.614 0.020 . 2 . . . . 66 TRP HB2 . 7079 1 705 . 1 1 66 66 TRP HB3 H 1 3.506 0.020 . 2 . . . . 66 TRP HB3 . 7079 1 706 . 1 1 66 66 TRP HD1 H 1 7.275 0.020 . 1 . . . . 66 TRP HD1 . 7079 1 707 . 1 1 66 66 TRP HE1 H 1 10.630 0.020 . 1 . . . . 66 TRP HE1 . 7079 1 708 . 1 1 66 66 TRP HE3 H 1 7.291 0.020 . 1 . . . . 66 TRP HE3 . 7079 1 709 . 1 1 66 66 TRP HZ2 H 1 7.425 0.020 . 1 . . . . 66 TRP HZ2 . 7079 1 710 . 1 1 66 66 TRP HZ3 H 1 6.711 0.020 . 1 . . . . 66 TRP HZ3 . 7079 1 711 . 1 1 66 66 TRP HH2 H 1 6.719 0.020 . 1 . . . . 66 TRP HH2 . 7079 1 712 . 1 1 66 66 TRP C C 13 177.035 0.400 . 1 . . . . 66 TRP C . 7079 1 713 . 1 1 66 66 TRP CA C 13 59.220 0.400 . 1 . . . . 66 TRP CA . 7079 1 714 . 1 1 66 66 TRP CB C 13 29.000 0.400 . 1 . . . . 66 TRP CB . 7079 1 715 . 1 1 66 66 TRP CD1 C 13 127.109 0.400 . 1 . . . . 66 TRP CD1 . 7079 1 716 . 1 1 66 66 TRP CE3 C 13 121.198 0.400 . 1 . . . . 66 TRP CE3 . 7079 1 717 . 1 1 66 66 TRP CZ2 C 13 115.345 0.400 . 1 . . . . 66 TRP CZ2 . 7079 1 718 . 1 1 66 66 TRP CZ3 C 13 121.654 0.400 . 1 . . . . 66 TRP CZ3 . 7079 1 719 . 1 1 66 66 TRP CH2 C 13 122.570 0.400 . 1 . . . . 66 TRP CH2 . 7079 1 720 . 1 1 66 66 TRP N N 15 121.700 0.400 . 1 . . . . 66 TRP N . 7079 1 721 . 1 1 66 66 TRP NE1 N 15 131.900 0.400 . 1 . . . . 66 TRP NE1 . 7079 1 722 . 1 1 67 67 ARG H H 1 7.799 0.020 . 1 . . . . 67 ARG H . 7079 1 723 . 1 1 67 67 ARG HA H 1 3.385 0.020 . 1 . . . . 67 ARG HA . 7079 1 724 . 1 1 67 67 ARG HB2 H 1 1.030 0.020 . 2 . . . . 67 ARG HB2 . 7079 1 725 . 1 1 67 67 ARG HB3 H 1 1.419 0.020 . 2 . . . . 67 ARG HB3 . 7079 1 726 . 1 1 67 67 ARG HE H 1 7.194 0.020 . 1 . . . . 67 ARG HE . 7079 1 727 . 1 1 67 67 ARG C C 13 176.215 0.400 . 1 . . . . 67 ARG C . 7079 1 728 . 1 1 67 67 ARG CA C 13 59.380 0.400 . 1 . . . . 67 ARG CA . 7079 1 729 . 1 1 67 67 ARG CB C 13 30.095 0.400 . 1 . . . . 67 ARG CB . 7079 1 730 . 1 1 67 67 ARG N N 15 119.700 0.400 . 1 . . . . 67 ARG N . 7079 1 731 . 1 1 67 67 ARG NE N 15 117.300 0.400 . 1 . . . . 67 ARG NE . 7079 1 732 . 1 1 68 68 THR H H 1 6.915 0.020 . 1 . . . . 68 THR H . 7079 1 733 . 1 1 68 68 THR HA H 1 4.054 0.020 . 1 . . . . 68 THR HA . 7079 1 734 . 1 1 68 68 THR HB H 1 4.189 0.020 . 1 . . . . 68 THR HB . 7079 1 735 . 1 1 68 68 THR HG21 H 1 0.894 0.020 . 1 . . . . 68 THR HG2 . 7079 1 736 . 1 1 68 68 THR HG22 H 1 0.894 0.020 . 1 . . . . 68 THR HG2 . 7079 1 737 . 1 1 68 68 THR HG23 H 1 0.894 0.020 . 1 . . . . 68 THR HG2 . 7079 1 738 . 1 1 68 68 THR C C 13 173.627 0.400 . 1 . . . . 68 THR C . 7079 1 739 . 1 1 68 68 THR CA C 13 60.380 0.400 . 1 . . . . 68 THR CA . 7079 1 740 . 1 1 68 68 THR CB C 13 70.470 0.400 . 1 . . . . 68 THR CB . 7079 1 741 . 1 1 68 68 THR CG2 C 13 21.590 0.400 . 1 . . . . 68 THR CG2 . 7079 1 742 . 1 1 69 69 SER H H 1 7.257 0.020 . 1 . . . . 69 SER H . 7079 1 743 . 1 1 69 69 SER HA H 1 4.922 0.020 . 1 . . . . 69 SER HA . 7079 1 744 . 1 1 69 69 SER HB2 H 1 3.687 0.020 . 2 . . . . 69 SER HB2 . 7079 1 745 . 1 1 69 69 SER HB3 H 1 3.926 0.020 . 2 . . . . 69 SER HB3 . 7079 1 746 . 1 1 69 69 SER C C 13 175.521 0.400 . 1 . . . . 69 SER C . 7079 1 747 . 1 1 69 69 SER CA C 13 55.360 0.400 . 1 . . . . 69 SER CA . 7079 1 748 . 1 1 69 69 SER CB C 13 64.200 0.400 . 1 . . . . 69 SER CB . 7079 1 749 . 1 1 69 69 SER N N 15 114.800 0.400 . 1 . . . . 69 SER N . 7079 1 750 . 1 1 70 70 ILE H H 1 9.482 0.020 . 1 . . . . 70 ILE H . 7079 1 751 . 1 1 70 70 ILE HA H 1 4.468 0.020 . 1 . . . . 70 ILE HA . 7079 1 752 . 1 1 70 70 ILE HB H 1 1.945 0.020 . 1 . . . . 70 ILE HB . 7079 1 753 . 1 1 70 70 ILE HG12 H 1 1.735 0.020 . 1 . . . . 70 ILE HG12 . 7079 1 754 . 1 1 70 70 ILE HG13 H 1 1.735 0.020 . 1 . . . . 70 ILE HG13 . 7079 1 755 . 1 1 70 70 ILE HG21 H 1 1.185 0.020 . 1 . . . . 70 ILE HG2 . 7079 1 756 . 1 1 70 70 ILE HG22 H 1 1.185 0.020 . 1 . . . . 70 ILE HG2 . 7079 1 757 . 1 1 70 70 ILE HG23 H 1 1.185 0.020 . 1 . . . . 70 ILE HG2 . 7079 1 758 . 1 1 70 70 ILE HD11 H 1 0.970 0.020 . 1 . . . . 70 ILE HD1 . 7079 1 759 . 1 1 70 70 ILE HD12 H 1 0.970 0.020 . 1 . . . . 70 ILE HD1 . 7079 1 760 . 1 1 70 70 ILE HD13 H 1 0.970 0.020 . 1 . . . . 70 ILE HD1 . 7079 1 761 . 1 1 70 70 ILE C C 13 175.186 0.400 . 1 . . . . 70 ILE C . 7079 1 762 . 1 1 70 70 ILE CA C 13 59.850 0.400 . 1 . . . . 70 ILE CA . 7079 1 763 . 1 1 70 70 ILE CB C 13 38.324 0.400 . 1 . . . . 70 ILE CB . 7079 1 764 . 1 1 70 70 ILE CG1 C 13 29.600 0.400 . 1 . . . . 70 ILE CG1 . 7079 1 765 . 1 1 70 70 ILE CG2 C 13 20.430 0.400 . 1 . . . . 70 ILE CG2 . 7079 1 766 . 1 1 70 70 ILE CD1 C 13 14.320 0.400 . 1 . . . . 70 ILE CD1 . 7079 1 767 . 1 1 70 70 ILE N N 15 129.600 0.400 . 1 . . . . 70 ILE N . 7079 1 768 . 1 1 71 71 VAL H H 1 7.536 0.020 . 1 . . . . 71 VAL H . 7079 1 769 . 1 1 71 71 VAL HA H 1 3.510 0.020 . 1 . . . . 71 VAL HA . 7079 1 770 . 1 1 71 71 VAL HB H 1 1.863 0.020 . 1 . . . . 71 VAL HB . 7079 1 771 . 1 1 71 71 VAL HG11 H 1 1.000 0.020 . 2 . . . . 71 VAL HG1 . 7079 1 772 . 1 1 71 71 VAL HG12 H 1 1.000 0.020 . 2 . . . . 71 VAL HG1 . 7079 1 773 . 1 1 71 71 VAL HG13 H 1 1.000 0.020 . 2 . . . . 71 VAL HG1 . 7079 1 774 . 1 1 71 71 VAL HG21 H 1 1.037 0.020 . 2 . . . . 71 VAL HG2 . 7079 1 775 . 1 1 71 71 VAL HG22 H 1 1.037 0.020 . 2 . . . . 71 VAL HG2 . 7079 1 776 . 1 1 71 71 VAL HG23 H 1 1.037 0.020 . 2 . . . . 71 VAL HG2 . 7079 1 777 . 1 1 71 71 VAL C C 13 177.082 0.400 . 1 . . . . 71 VAL C . 7079 1 778 . 1 1 71 71 VAL CA C 13 67.010 0.400 . 1 . . . . 71 VAL CA . 7079 1 779 . 1 1 71 71 VAL CB C 13 32.250 0.400 . 1 . . . . 71 VAL CB . 7079 1 780 . 1 1 71 71 VAL CG1 C 13 20.670 0.400 . 1 . . . . 71 VAL CG1 . 7079 1 781 . 1 1 71 71 VAL CG2 C 13 22.780 0.400 . 1 . . . . 71 VAL CG2 . 7079 1 782 . 1 1 71 71 VAL N N 15 124.900 0.400 . 1 . . . . 71 VAL N . 7079 1 783 . 1 1 72 72 ASP H H 1 7.725 0.020 . 1 . . . . 72 ASP H . 7079 1 784 . 1 1 72 72 ASP HA H 1 4.265 0.020 . 1 . . . . 72 ASP HA . 7079 1 785 . 1 1 72 72 ASP HB2 H 1 2.380 0.020 . 2 . . . . 72 ASP HB2 . 7079 1 786 . 1 1 72 72 ASP HB3 H 1 2.482 0.020 . 2 . . . . 72 ASP HB3 . 7079 1 787 . 1 1 72 72 ASP C C 13 178.158 0.400 . 1 . . . . 72 ASP C . 7079 1 788 . 1 1 72 72 ASP CA C 13 56.780 0.400 . 1 . . . . 72 ASP CA . 7079 1 789 . 1 1 72 72 ASP CB C 13 39.150 0.400 . 1 . . . . 72 ASP CB . 7079 1 790 . 1 1 72 72 ASP N N 15 120.400 0.400 . 1 . . . . 72 ASP N . 7079 1 791 . 1 1 73 73 LEU H H 1 8.002 0.020 . 1 . . . . 73 LEU H . 7079 1 792 . 1 1 73 73 LEU HA H 1 3.972 0.020 . 1 . . . . 73 LEU HA . 7079 1 793 . 1 1 73 73 LEU HB2 H 1 2.145 0.020 . 2 . . . . 73 LEU HB2 . 7079 1 794 . 1 1 73 73 LEU HB3 H 1 2.185 0.020 . 2 . . . . 73 LEU HB3 . 7079 1 795 . 1 1 73 73 LEU HG H 1 1.581 0.020 . 1 . . . . 73 LEU HG . 7079 1 796 . 1 1 73 73 LEU HD11 H 1 0.745 0.020 . 2 . . . . 73 LEU HD1 . 7079 1 797 . 1 1 73 73 LEU HD12 H 1 0.745 0.020 . 2 . . . . 73 LEU HD1 . 7079 1 798 . 1 1 73 73 LEU HD13 H 1 0.745 0.020 . 2 . . . . 73 LEU HD1 . 7079 1 799 . 1 1 73 73 LEU HD21 H 1 0.868 0.020 . 2 . . . . 73 LEU HD2 . 7079 1 800 . 1 1 73 73 LEU HD22 H 1 0.868 0.020 . 2 . . . . 73 LEU HD2 . 7079 1 801 . 1 1 73 73 LEU HD23 H 1 0.868 0.020 . 2 . . . . 73 LEU HD2 . 7079 1 802 . 1 1 73 73 LEU C C 13 176.926 0.400 . 1 . . . . 73 LEU C . 7079 1 803 . 1 1 73 73 LEU CA C 13 59.860 0.400 . 1 . . . . 73 LEU CA . 7079 1 804 . 1 1 73 73 LEU CB C 13 42.190 0.400 . 1 . . . . 73 LEU CB . 7079 1 805 . 1 1 73 73 LEU CG C 13 27.960 0.400 . 1 . . . . 73 LEU CG . 7079 1 806 . 1 1 73 73 LEU CD1 C 13 25.400 0.400 . 1 . . . . 73 LEU CD1 . 7079 1 807 . 1 1 73 73 LEU CD2 C 13 26.990 0.400 . 1 . . . . 73 LEU CD2 . 7079 1 808 . 1 1 73 73 LEU N N 15 120.900 0.400 . 1 . . . . 73 LEU N . 7079 1 809 . 1 1 74 74 MET H H 1 7.924 0.020 . 1 . . . . 74 MET H . 7079 1 810 . 1 1 74 74 MET HA H 1 3.493 0.020 . 1 . . . . 74 MET HA . 7079 1 811 . 1 1 74 74 MET HB2 H 1 1.722 0.020 . 2 . . . . 74 MET HB2 . 7079 1 812 . 1 1 74 74 MET HB3 H 1 3.096 0.020 . 2 . . . . 74 MET HB3 . 7079 1 813 . 1 1 74 74 MET HG2 H 1 2.034 0.020 . 2 . . . . 74 MET HG2 . 7079 1 814 . 1 1 74 74 MET HG3 H 1 2.143 0.020 . 2 . . . . 74 MET HG3 . 7079 1 815 . 1 1 74 74 MET HE1 H 1 0.950 0.020 . 1 . . . . 74 MET HE . 7079 1 816 . 1 1 74 74 MET HE2 H 1 0.950 0.020 . 1 . . . . 74 MET HE . 7079 1 817 . 1 1 74 74 MET HE3 H 1 0.950 0.020 . 1 . . . . 74 MET HE . 7079 1 818 . 1 1 74 74 MET C C 13 178.115 0.400 . 1 . . . . 74 MET C . 7079 1 819 . 1 1 74 74 MET CA C 13 61.050 0.400 . 1 . . . . 74 MET CA . 7079 1 820 . 1 1 74 74 MET CB C 13 34.570 0.400 . 1 . . . . 74 MET CB . 7079 1 821 . 1 1 74 74 MET CE C 13 17.175 0.400 . 1 . . . . 74 MET CE . 7079 1 822 . 1 1 74 74 MET N N 15 116.800 0.400 . 1 . . . . 74 MET N . 7079 1 823 . 1 1 75 75 LYS H H 1 8.716 0.020 . 1 . . . . 75 LYS H . 7079 1 824 . 1 1 75 75 LYS HA H 1 4.100 0.020 . 1 . . . . 75 LYS HA . 7079 1 825 . 1 1 75 75 LYS HB2 H 1 1.760 0.020 . 2 . . . . 75 LYS HB2 . 7079 1 826 . 1 1 75 75 LYS HB3 H 1 1.850 0.020 . 2 . . . . 75 LYS HB3 . 7079 1 827 . 1 1 75 75 LYS HG2 H 1 1.427 0.020 . 2 . . . . 75 LYS HG2 . 7079 1 828 . 1 1 75 75 LYS HG3 H 1 1.839 0.020 . 2 . . . . 75 LYS HG3 . 7079 1 829 . 1 1 75 75 LYS HD2 H 1 1.615 0.020 . 1 . . . . 75 LYS HD2 . 7079 1 830 . 1 1 75 75 LYS HD3 H 1 1.615 0.020 . 1 . . . . 75 LYS HD3 . 7079 1 831 . 1 1 75 75 LYS HE2 H 1 2.840 0.020 . 2 . . . . 75 LYS HE2 . 7079 1 832 . 1 1 75 75 LYS HE3 H 1 2.970 0.020 . 2 . . . . 75 LYS HE3 . 7079 1 833 . 1 1 75 75 LYS C C 13 181.131 0.400 . 1 . . . . 75 LYS C . 7079 1 834 . 1 1 75 75 LYS CA C 13 60.300 0.400 . 1 . . . . 75 LYS CA . 7079 1 835 . 1 1 75 75 LYS CG C 13 26.560 0.400 . 1 . . . . 75 LYS CG . 7079 1 836 . 1 1 75 75 LYS CE C 13 42.000 0.400 . 1 . . . . 75 LYS CE . 7079 1 837 . 1 1 75 75 LYS N N 15 118.200 0.400 . 1 . . . . 75 LYS N . 7079 1 838 . 1 1 76 76 ALA H H 1 8.414 0.020 . 1 . . . . 76 ALA H . 7079 1 839 . 1 1 76 76 ALA HA H 1 3.642 0.020 . 1 . . . . 76 ALA HA . 7079 1 840 . 1 1 76 76 ALA HB1 H 1 1.408 0.020 . 1 . . . . 76 ALA HB . 7079 1 841 . 1 1 76 76 ALA HB2 H 1 1.408 0.020 . 1 . . . . 76 ALA HB . 7079 1 842 . 1 1 76 76 ALA HB3 H 1 1.408 0.020 . 1 . . . . 76 ALA HB . 7079 1 843 . 1 1 76 76 ALA C C 13 176.652 0.400 . 1 . . . . 76 ALA C . 7079 1 844 . 1 1 76 76 ALA CA C 13 55.210 0.400 . 1 . . . . 76 ALA CA . 7079 1 845 . 1 1 76 76 ALA CB C 13 17.098 0.400 . 1 . . . . 76 ALA CB . 7079 1 846 . 1 1 76 76 ALA N N 15 121.614 0.400 . 1 . . . . 76 ALA N . 7079 1 847 . 1 1 77 77 LEU H H 1 6.950 0.020 . 1 . . . . 77 LEU H . 7079 1 848 . 1 1 77 77 LEU HA H 1 4.256 0.020 . 1 . . . . 77 LEU HA . 7079 1 849 . 1 1 77 77 LEU HB2 H 1 1.524 0.020 . 1 . . . . 77 LEU HB2 . 7079 1 850 . 1 1 77 77 LEU HB3 H 1 1.524 0.020 . 1 . . . . 77 LEU HB3 . 7079 1 851 . 1 1 77 77 LEU HG H 1 0.668 0.020 . 1 . . . . 77 LEU HG . 7079 1 852 . 1 1 77 77 LEU HD11 H 1 0.488 0.020 . 2 . . . . 77 LEU HD1 . 7079 1 853 . 1 1 77 77 LEU HD12 H 1 0.488 0.020 . 2 . . . . 77 LEU HD1 . 7079 1 854 . 1 1 77 77 LEU HD13 H 1 0.488 0.020 . 2 . . . . 77 LEU HD1 . 7079 1 855 . 1 1 77 77 LEU C C 13 175.284 0.400 . 1 . . . . 77 LEU C . 7079 1 856 . 1 1 77 77 LEU CA C 13 53.030 0.400 . 1 . . . . 77 LEU CA . 7079 1 857 . 1 1 77 77 LEU CB C 13 41.760 0.400 . 1 . . . . 77 LEU CB . 7079 1 858 . 1 1 77 77 LEU CG C 13 26.670 0.400 . 1 . . . . 77 LEU CG . 7079 1 859 . 1 1 77 77 LEU CD1 C 13 20.770 0.400 . 1 . . . . 77 LEU CD1 . 7079 1 860 . 1 1 77 77 LEU N N 15 113.300 0.400 . 1 . . . . 77 LEU N . 7079 1 861 . 1 1 78 78 ASP H H 1 8.130 0.020 . 1 . . . . 78 ASP H . 7079 1 862 . 1 1 78 78 ASP HA H 1 4.213 0.020 . 1 . . . . 78 ASP HA . 7079 1 863 . 1 1 78 78 ASP HB2 H 1 2.732 0.020 . 2 . . . . 78 ASP HB2 . 7079 1 864 . 1 1 78 78 ASP HB3 H 1 2.961 0.020 . 2 . . . . 78 ASP HB3 . 7079 1 865 . 1 1 78 78 ASP C C 13 174.412 0.400 . 1 . . . . 78 ASP C . 7079 1 866 . 1 1 78 78 ASP CA C 13 56.170 0.400 . 1 . . . . 78 ASP CA . 7079 1 867 . 1 1 78 78 ASP CB C 13 39.140 0.400 . 1 . . . . 78 ASP CB . 7079 1 868 . 1 1 78 78 ASP N N 15 115.600 0.400 . 1 . . . . 78 ASP N . 7079 1 869 . 1 1 79 79 ILE H H 1 8.101 0.020 . 1 . . . . 79 ILE H . 7079 1 870 . 1 1 79 79 ILE HA H 1 4.099 0.020 . 1 . . . . 79 ILE HA . 7079 1 871 . 1 1 79 79 ILE HB H 1 1.443 0.020 . 1 . . . . 79 ILE HB . 7079 1 872 . 1 1 79 79 ILE HG12 H 1 0.835 0.020 . 2 . . . . 79 ILE HG12 . 7079 1 873 . 1 1 79 79 ILE HG13 H 1 0.950 0.020 . 2 . . . . 79 ILE HG13 . 7079 1 874 . 1 1 79 79 ILE HG21 H 1 0.634 0.020 . 1 . . . . 79 ILE HG2 . 7079 1 875 . 1 1 79 79 ILE HG22 H 1 0.634 0.020 . 1 . . . . 79 ILE HG2 . 7079 1 876 . 1 1 79 79 ILE HG23 H 1 0.634 0.020 . 1 . . . . 79 ILE HG2 . 7079 1 877 . 1 1 79 79 ILE HD11 H 1 0.953 0.020 . 1 . . . . 79 ILE HD1 . 7079 1 878 . 1 1 79 79 ILE HD12 H 1 0.953 0.020 . 1 . . . . 79 ILE HD1 . 7079 1 879 . 1 1 79 79 ILE HD13 H 1 0.953 0.020 . 1 . . . . 79 ILE HD1 . 7079 1 880 . 1 1 79 79 ILE C C 13 175.471 0.400 . 1 . . . . 79 ILE C . 7079 1 881 . 1 1 79 79 ILE CA C 13 59.790 0.400 . 1 . . . . 79 ILE CA . 7079 1 882 . 1 1 79 79 ILE CB C 13 39.990 0.400 . 1 . . . . 79 ILE CB . 7079 1 883 . 1 1 79 79 ILE CG1 C 13 27.520 0.400 . 1 . . . . 79 ILE CG1 . 7079 1 884 . 1 1 79 79 ILE CG2 C 13 15.070 0.400 . 1 . . . . 79 ILE CG2 . 7079 1 885 . 1 1 79 79 ILE CD1 C 13 17.190 0.400 . 1 . . . . 79 ILE CD1 . 7079 1 886 . 1 1 79 79 ILE N N 15 119.500 0.400 . 1 . . . . 79 ILE N . 7079 1 887 . 1 1 80 80 ASP H H 1 8.213 0.020 . 1 . . . . 80 ASP H . 7079 1 888 . 1 1 80 80 ASP HA H 1 4.150 0.020 . 1 . . . . 80 ASP HA . 7079 1 889 . 1 1 80 80 ASP HB2 H 1 2.735 0.020 . 1 . . . . 80 ASP HB2 . 7079 1 890 . 1 1 80 80 ASP HB3 H 1 2.735 0.020 . 1 . . . . 80 ASP HB3 . 7079 1 891 . 1 1 80 80 ASP C C 13 173.644 0.400 . 1 . . . . 80 ASP C . 7079 1 892 . 1 1 80 80 ASP CA C 13 56.120 0.400 . 1 . . . . 80 ASP CA . 7079 1 893 . 1 1 80 80 ASP CB C 13 41.130 0.400 . 1 . . . . 80 ASP CB . 7079 1 894 . 1 1 80 80 ASP N N 15 127.500 0.400 . 1 . . . . 80 ASP N . 7079 1 895 . 1 1 81 81 SER H H 1 7.715 0.020 . 1 . . . . 81 SER H . 7079 1 896 . 1 1 81 81 SER HA H 1 4.925 0.020 . 1 . . . . 81 SER HA . 7079 1 897 . 1 1 81 81 SER HB2 H 1 3.741 0.020 . 2 . . . . 81 SER HB2 . 7079 1 898 . 1 1 81 81 SER HB3 H 1 4.389 0.020 . 2 . . . . 81 SER HB3 . 7079 1 899 . 1 1 81 81 SER C C 13 176.081 0.400 . 1 . . . . 81 SER C . 7079 1 900 . 1 1 81 81 SER CA C 13 56.930 0.400 . 1 . . . . 81 SER CA . 7079 1 901 . 1 1 81 81 SER CB C 13 65.470 0.400 . 1 . . . . 81 SER CB . 7079 1 902 . 1 1 81 81 SER N N 15 117.100 0.400 . 1 . . . . 81 SER N . 7079 1 903 . 1 1 82 82 SER H H 1 8.464 0.020 . 1 . . . . 82 SER H . 7079 1 904 . 1 1 82 82 SER HA H 1 4.334 0.020 . 1 . . . . 82 SER HA . 7079 1 905 . 1 1 82 82 SER HB2 H 1 3.930 0.020 . 1 . . . . 82 SER HB2 . 7079 1 906 . 1 1 82 82 SER HB3 H 1 3.930 0.020 . 1 . . . . 82 SER HB3 . 7079 1 907 . 1 1 82 82 SER C C 13 174.020 0.400 . 1 . . . . 82 SER C . 7079 1 908 . 1 1 82 82 SER CA C 13 58.840 0.400 . 1 . . . . 82 SER CA . 7079 1 909 . 1 1 82 82 SER N N 15 120.900 0.400 . 1 . . . . 82 SER N . 7079 1 910 . 1 1 83 83 LEU H H 1 8.936 0.020 . 1 . . . . 83 LEU H . 7079 1 911 . 1 1 83 83 LEU HA H 1 3.993 0.020 . 1 . . . . 83 LEU HA . 7079 1 912 . 1 1 83 83 LEU HB2 H 1 1.660 0.020 . 2 . . . . 83 LEU HB2 . 7079 1 913 . 1 1 83 83 LEU HB3 H 1 1.900 0.020 . 2 . . . . 83 LEU HB3 . 7079 1 914 . 1 1 83 83 LEU HG H 1 1.557 0.020 . 1 . . . . 83 LEU HG . 7079 1 915 . 1 1 83 83 LEU HD11 H 1 1.023 0.020 . 2 . . . . 83 LEU HD1 . 7079 1 916 . 1 1 83 83 LEU HD12 H 1 1.023 0.020 . 2 . . . . 83 LEU HD1 . 7079 1 917 . 1 1 83 83 LEU HD13 H 1 1.023 0.020 . 2 . . . . 83 LEU HD1 . 7079 1 918 . 1 1 83 83 LEU HD21 H 1 1.026 0.020 . 2 . . . . 83 LEU HD2 . 7079 1 919 . 1 1 83 83 LEU HD22 H 1 1.026 0.020 . 2 . . . . 83 LEU HD2 . 7079 1 920 . 1 1 83 83 LEU HD23 H 1 1.026 0.020 . 2 . . . . 83 LEU HD2 . 7079 1 921 . 1 1 83 83 LEU C C 13 178.619 0.400 . 1 . . . . 83 LEU C . 7079 1 922 . 1 1 83 83 LEU CA C 13 58.690 0.400 . 1 . . . . 83 LEU CA . 7079 1 923 . 1 1 83 83 LEU CB C 13 41.300 0.400 . 1 . . . . 83 LEU CB . 7079 1 924 . 1 1 83 83 LEU CG C 13 27.160 0.400 . 1 . . . . 83 LEU CG . 7079 1 925 . 1 1 83 83 LEU CD1 C 13 25.420 0.400 . 1 . . . . 83 LEU CD1 . 7079 1 926 . 1 1 83 83 LEU CD2 C 13 22.960 0.400 . 1 . . . . 83 LEU CD2 . 7079 1 927 . 1 1 83 83 LEU N N 15 123.500 0.400 . 1 . . . . 83 LEU N . 7079 1 928 . 1 1 84 84 SER H H 1 8.433 0.020 . 1 . . . . 84 SER H . 7079 1 929 . 1 1 84 84 SER HA H 1 3.906 0.020 . 1 . . . . 84 SER HA . 7079 1 930 . 1 1 84 84 SER HB2 H 1 4.038 0.020 . 1 . . . . 84 SER HB2 . 7079 1 931 . 1 1 84 84 SER HB3 H 1 4.038 0.020 . 1 . . . . 84 SER HB3 . 7079 1 932 . 1 1 84 84 SER C C 13 176.696 0.400 . 1 . . . . 84 SER C . 7079 1 933 . 1 1 84 84 SER CA C 13 62.530 0.400 . 1 . . . . 84 SER CA . 7079 1 934 . 1 1 84 84 SER CB C 13 62.280 0.400 . 1 . . . . 84 SER CB . 7079 1 935 . 1 1 84 84 SER N N 15 112.400 0.400 . 1 . . . . 84 SER N . 7079 1 936 . 1 1 85 85 ALA H H 1 7.460 0.020 . 1 . . . . 85 ALA H . 7079 1 937 . 1 1 85 85 ALA HA H 1 4.095 0.020 . 1 . . . . 85 ALA HA . 7079 1 938 . 1 1 85 85 ALA HB1 H 1 1.331 0.020 . 1 . . . . 85 ALA HB . 7079 1 939 . 1 1 85 85 ALA HB2 H 1 1.331 0.020 . 1 . . . . 85 ALA HB . 7079 1 940 . 1 1 85 85 ALA HB3 H 1 1.331 0.020 . 1 . . . . 85 ALA HB . 7079 1 941 . 1 1 85 85 ALA C C 13 180.052 0.400 . 1 . . . . 85 ALA C . 7079 1 942 . 1 1 85 85 ALA CA C 13 55.330 0.400 . 1 . . . . 85 ALA CA . 7079 1 943 . 1 1 85 85 ALA CB C 13 18.630 0.400 . 1 . . . . 85 ALA CB . 7079 1 944 . 1 1 85 85 ALA N N 15 126.300 0.400 . 1 . . . . 85 ALA N . 7079 1 945 . 1 1 86 86 ARG H H 1 8.308 0.020 . 1 . . . . 86 ARG H . 7079 1 946 . 1 1 86 86 ARG HA H 1 3.838 0.020 . 1 . . . . 86 ARG HA . 7079 1 947 . 1 1 86 86 ARG HB2 H 1 1.598 0.020 . 1 . . . . 86 ARG HB2 . 7079 1 948 . 1 1 86 86 ARG HB3 H 1 1.598 0.020 . 1 . . . . 86 ARG HB3 . 7079 1 949 . 1 1 86 86 ARG HE H 1 6.908 0.020 . 1 . . . . 86 ARG HE . 7079 1 950 . 1 1 86 86 ARG C C 13 178.145 0.400 . 1 . . . . 86 ARG C . 7079 1 951 . 1 1 86 86 ARG CA C 13 60.950 0.400 . 1 . . . . 86 ARG CA . 7079 1 952 . 1 1 86 86 ARG CB C 13 30.490 0.400 . 1 . . . . 86 ARG CB . 7079 1 953 . 1 1 86 86 ARG N N 15 117.200 0.400 . 1 . . . . 86 ARG N . 7079 1 954 . 1 1 86 86 ARG NE N 15 119.400 0.400 . 1 . . . . 86 ARG NE . 7079 1 955 . 1 1 87 87 LYS H H 1 8.784 0.020 . 1 . . . . 87 LYS H . 7079 1 956 . 1 1 87 87 LYS HA H 1 4.119 0.020 . 1 . . . . 87 LYS HA . 7079 1 957 . 1 1 87 87 LYS HB2 H 1 1.827 0.020 . 2 . . . . 87 LYS HB2 . 7079 1 958 . 1 1 87 87 LYS HB3 H 1 1.971 0.020 . 2 . . . . 87 LYS HB3 . 7079 1 959 . 1 1 87 87 LYS HG2 H 1 1.313 0.020 . 2 . . . . 87 LYS HG2 . 7079 1 960 . 1 1 87 87 LYS HG3 H 1 1.777 0.020 . 2 . . . . 87 LYS HG3 . 7079 1 961 . 1 1 87 87 LYS HD2 H 1 1.652 0.020 . 1 . . . . 87 LYS HD2 . 7079 1 962 . 1 1 87 87 LYS HD3 H 1 1.652 0.020 . 1 . . . . 87 LYS HD3 . 7079 1 963 . 1 1 87 87 LYS HE2 H 1 2.780 0.020 . 2 . . . . 87 LYS HE2 . 7079 1 964 . 1 1 87 87 LYS HE3 H 1 2.980 0.020 . 2 . . . . 87 LYS HE3 . 7079 1 965 . 1 1 87 87 LYS C C 13 179.183 0.400 . 1 . . . . 87 LYS C . 7079 1 966 . 1 1 87 87 LYS CA C 13 60.520 0.400 . 1 . . . . 87 LYS CA . 7079 1 967 . 1 1 87 87 LYS CB C 13 32.910 0.400 . 1 . . . . 87 LYS CB . 7079 1 968 . 1 1 87 87 LYS CG C 13 27.190 0.400 . 1 . . . . 87 LYS CG . 7079 1 969 . 1 1 87 87 LYS CD C 13 30.070 0.400 . 1 . . . . 87 LYS CD . 7079 1 970 . 1 1 87 87 LYS CE C 13 41.910 0.400 . 1 . . . . 87 LYS CE . 7079 1 971 . 1 1 87 87 LYS N N 15 119.400 0.400 . 1 . . . . 87 LYS N . 7079 1 972 . 1 1 88 88 GLU H H 1 7.830 0.020 . 1 . . . . 88 GLU H . 7079 1 973 . 1 1 88 88 GLU HA H 1 4.097 0.020 . 1 . . . . 88 GLU HA . 7079 1 974 . 1 1 88 88 GLU HB2 H 1 2.228 0.020 . 1 . . . . 88 GLU HB2 . 7079 1 975 . 1 1 88 88 GLU HB3 H 1 2.228 0.020 . 1 . . . . 88 GLU HB3 . 7079 1 976 . 1 1 88 88 GLU HG2 H 1 2.423 0.020 . 1 . . . . 88 GLU HG2 . 7079 1 977 . 1 1 88 88 GLU HG3 H 1 2.423 0.020 . 1 . . . . 88 GLU HG3 . 7079 1 978 . 1 1 88 88 GLU C C 13 179.452 0.400 . 1 . . . . 88 GLU C . 7079 1 979 . 1 1 88 88 GLU CA C 13 59.620 0.400 . 1 . . . . 88 GLU CA . 7079 1 980 . 1 1 88 88 GLU CB C 13 28.670 0.400 . 1 . . . . 88 GLU CB . 7079 1 981 . 1 1 88 88 GLU CG C 13 35.880 0.400 . 1 . . . . 88 GLU CG . 7079 1 982 . 1 1 88 88 GLU N N 15 120.600 0.400 . 1 . . . . 88 GLU N . 7079 1 983 . 1 1 89 89 LEU H H 1 8.502 0.020 . 1 . . . . 89 LEU H . 7079 1 984 . 1 1 89 89 LEU HA H 1 4.271 0.020 . 1 . . . . 89 LEU HA . 7079 1 985 . 1 1 89 89 LEU HB2 H 1 1.490 0.020 . 2 . . . . 89 LEU HB2 . 7079 1 986 . 1 1 89 89 LEU HB3 H 1 2.220 0.020 . 2 . . . . 89 LEU HB3 . 7079 1 987 . 1 1 89 89 LEU HG H 1 0.889 0.020 . 1 . . . . 89 LEU HG . 7079 1 988 . 1 1 89 89 LEU HD11 H 1 0.754 0.020 . 2 . . . . 89 LEU HD1 . 7079 1 989 . 1 1 89 89 LEU HD12 H 1 0.754 0.020 . 2 . . . . 89 LEU HD1 . 7079 1 990 . 1 1 89 89 LEU HD13 H 1 0.754 0.020 . 2 . . . . 89 LEU HD1 . 7079 1 991 . 1 1 89 89 LEU HD21 H 1 1.070 0.020 . 2 . . . . 89 LEU HD2 . 7079 1 992 . 1 1 89 89 LEU HD22 H 1 1.070 0.020 . 2 . . . . 89 LEU HD2 . 7079 1 993 . 1 1 89 89 LEU HD23 H 1 1.070 0.020 . 2 . . . . 89 LEU HD2 . 7079 1 994 . 1 1 89 89 LEU C C 13 177.613 0.400 . 1 . . . . 89 LEU C . 7079 1 995 . 1 1 89 89 LEU CA C 13 57.660 0.400 . 1 . . . . 89 LEU CA . 7079 1 996 . 1 1 89 89 LEU CB C 13 41.160 0.400 . 1 . . . . 89 LEU CB . 7079 1 997 . 1 1 89 89 LEU CG C 13 26.180 0.400 . 1 . . . . 89 LEU CG . 7079 1 998 . 1 1 89 89 LEU CD1 C 13 25.590 0.400 . 1 . . . . 89 LEU CD1 . 7079 1 999 . 1 1 89 89 LEU CD2 C 13 23.060 0.400 . 1 . . . . 89 LEU CD2 . 7079 1 1000 . 1 1 89 89 LEU N N 15 122.600 0.400 . 1 . . . . 89 LEU N . 7079 1 1001 . 1 1 90 90 ALA H H 1 8.825 0.020 . 1 . . . . 90 ALA H . 7079 1 1002 . 1 1 90 90 ALA HA H 1 4.008 0.020 . 1 . . . . 90 ALA HA . 7079 1 1003 . 1 1 90 90 ALA HB1 H 1 1.473 0.020 . 1 . . . . 90 ALA HB . 7079 1 1004 . 1 1 90 90 ALA HB2 H 1 1.473 0.020 . 1 . . . . 90 ALA HB . 7079 1 1005 . 1 1 90 90 ALA HB3 H 1 1.473 0.020 . 1 . . . . 90 ALA HB . 7079 1 1006 . 1 1 90 90 ALA C C 13 179.535 0.400 . 1 . . . . 90 ALA C . 7079 1 1007 . 1 1 90 90 ALA CA C 13 56.120 0.400 . 1 . . . . 90 ALA CA . 7079 1 1008 . 1 1 90 90 ALA CB C 13 17.520 0.400 . 1 . . . . 90 ALA CB . 7079 1 1009 . 1 1 90 90 ALA N N 15 121.400 0.400 . 1 . . . . 90 ALA N . 7079 1 1010 . 1 1 91 91 LYS H H 1 8.287 0.020 . 1 . . . . 91 LYS H . 7079 1 1011 . 1 1 91 91 LYS HA H 1 4.257 0.020 . 1 . . . . 91 LYS HA . 7079 1 1012 . 1 1 91 91 LYS HB2 H 1 2.032 0.020 . 1 . . . . 91 LYS HB2 . 7079 1 1013 . 1 1 91 91 LYS HB3 H 1 2.032 0.020 . 1 . . . . 91 LYS HB3 . 7079 1 1014 . 1 1 91 91 LYS HG2 H 1 1.469 0.020 . 2 . . . . 91 LYS HG2 . 7079 1 1015 . 1 1 91 91 LYS HG3 H 1 1.691 0.020 . 2 . . . . 91 LYS HG3 . 7079 1 1016 . 1 1 91 91 LYS HD2 H 1 1.689 0.020 . 2 . . . . 91 LYS HD2 . 7079 1 1017 . 1 1 91 91 LYS HD3 H 1 1.710 0.020 . 2 . . . . 91 LYS HD3 . 7079 1 1018 . 1 1 91 91 LYS HE2 H 1 2.968 0.020 . 1 . . . . 91 LYS HE2 . 7079 1 1019 . 1 1 91 91 LYS HE3 H 1 2.968 0.020 . 1 . . . . 91 LYS HE3 . 7079 1 1020 . 1 1 91 91 LYS C C 13 180.891 0.400 . 1 . . . . 91 LYS C . 7079 1 1021 . 1 1 91 91 LYS CA C 13 59.500 0.400 . 1 . . . . 91 LYS CA . 7079 1 1022 . 1 1 91 91 LYS CG C 13 25.140 0.400 . 1 . . . . 91 LYS CG . 7079 1 1023 . 1 1 91 91 LYS CD C 13 29.340 0.400 . 1 . . . . 91 LYS CD . 7079 1 1024 . 1 1 91 91 LYS CE C 13 41.980 0.400 . 1 . . . . 91 LYS CE . 7079 1 1025 . 1 1 91 91 LYS N N 15 119.500 0.400 . 1 . . . . 91 LYS N . 7079 1 1026 . 1 1 92 92 GLU H H 1 8.531 0.020 . 1 . . . . 92 GLU H . 7079 1 1027 . 1 1 92 92 GLU HA H 1 4.033 0.020 . 1 . . . . 92 GLU HA . 7079 1 1028 . 1 1 92 92 GLU HB2 H 1 2.237 0.020 . 2 . . . . 92 GLU HB2 . 7079 1 1029 . 1 1 92 92 GLU HB3 H 1 2.455 0.020 . 2 . . . . 92 GLU HB3 . 7079 1 1030 . 1 1 92 92 GLU HG2 H 1 2.649 0.020 . 1 . . . . 92 GLU HG2 . 7079 1 1031 . 1 1 92 92 GLU HG3 H 1 2.649 0.020 . 1 . . . . 92 GLU HG3 . 7079 1 1032 . 1 1 92 92 GLU C C 13 178.902 0.400 . 1 . . . . 92 GLU C . 7079 1 1033 . 1 1 92 92 GLU CA C 13 59.630 0.400 . 1 . . . . 92 GLU CA . 7079 1 1034 . 1 1 92 92 GLU CB C 13 29.640 0.400 . 1 . . . . 92 GLU CB . 7079 1 1035 . 1 1 92 92 GLU CG C 13 36.090 0.400 . 1 . . . . 92 GLU CG . 7079 1 1036 . 1 1 92 92 GLU N N 15 122.500 0.400 . 1 . . . . 92 GLU N . 7079 1 1037 . 1 1 93 93 LEU H H 1 7.979 0.020 . 1 . . . . 93 LEU H . 7079 1 1038 . 1 1 93 93 LEU HA H 1 4.335 0.020 . 1 . . . . 93 LEU HA . 7079 1 1039 . 1 1 93 93 LEU HB2 H 1 1.848 0.020 . 2 . . . . 93 LEU HB2 . 7079 1 1040 . 1 1 93 93 LEU HB3 H 1 2.059 0.020 . 2 . . . . 93 LEU HB3 . 7079 1 1041 . 1 1 93 93 LEU HG H 1 1.843 0.020 . 1 . . . . 93 LEU HG . 7079 1 1042 . 1 1 93 93 LEU HD11 H 1 0.346 0.020 . 2 . . . . 93 LEU HD1 . 7079 1 1043 . 1 1 93 93 LEU HD12 H 1 0.346 0.020 . 2 . . . . 93 LEU HD1 . 7079 1 1044 . 1 1 93 93 LEU HD13 H 1 0.346 0.020 . 2 . . . . 93 LEU HD1 . 7079 1 1045 . 1 1 93 93 LEU HD21 H 1 0.663 0.020 . 2 . . . . 93 LEU HD2 . 7079 1 1046 . 1 1 93 93 LEU HD22 H 1 0.663 0.020 . 2 . . . . 93 LEU HD2 . 7079 1 1047 . 1 1 93 93 LEU HD23 H 1 0.663 0.020 . 2 . . . . 93 LEU HD2 . 7079 1 1048 . 1 1 93 93 LEU C C 13 177.144 0.400 . 1 . . . . 93 LEU C . 7079 1 1049 . 1 1 93 93 LEU CA C 13 54.760 0.400 . 1 . . . . 93 LEU CA . 7079 1 1050 . 1 1 93 93 LEU CB C 13 42.680 0.400 . 1 . . . . 93 LEU CB . 7079 1 1051 . 1 1 93 93 LEU CG C 13 26.590 0.400 . 1 . . . . 93 LEU CG . 7079 1 1052 . 1 1 93 93 LEU CD1 C 13 21.520 0.400 . 1 . . . . 93 LEU CD1 . 7079 1 1053 . 1 1 93 93 LEU CD2 C 13 26.060 0.400 . 1 . . . . 93 LEU CD2 . 7079 1 1054 . 1 1 93 93 LEU N N 15 115.000 0.400 . 1 . . . . 93 LEU N . 7079 1 1055 . 1 1 94 94 GLY H H 1 7.957 0.020 . 1 . . . . 94 GLY H . 7079 1 1056 . 1 1 94 94 GLY HA2 H 1 4.159 0.020 . 2 . . . . 94 GLY HA2 . 7079 1 1057 . 1 1 94 94 GLY HA3 H 1 3.902 0.020 . 2 . . . . 94 GLY HA3 . 7079 1 1058 . 1 1 94 94 GLY C C 13 174.898 0.400 . 1 . . . . 94 GLY C . 7079 1 1059 . 1 1 94 94 GLY CA C 13 46.300 0.400 . 1 . . . . 94 GLY CA . 7079 1 1060 . 1 1 94 94 GLY N N 15 108.800 0.400 . 1 . . . . 94 GLY N . 7079 1 1061 . 1 1 95 95 TYR H H 1 8.355 0.020 . 1 . . . . 95 TYR H . 7079 1 1062 . 1 1 95 95 TYR HA H 1 3.350 0.020 . 1 . . . . 95 TYR HA . 7079 1 1063 . 1 1 95 95 TYR HB2 H 1 2.137 0.020 . 2 . . . . 95 TYR HB2 . 7079 1 1064 . 1 1 95 95 TYR HB3 H 1 2.454 0.020 . 2 . . . . 95 TYR HB3 . 7079 1 1065 . 1 1 95 95 TYR HD1 H 1 6.966 0.020 . 1 . . . . 95 TYR HD1 . 7079 1 1066 . 1 1 95 95 TYR HD2 H 1 6.966 0.020 . 1 . . . . 95 TYR HD2 . 7079 1 1067 . 1 1 95 95 TYR HE1 H 1 6.750 0.020 . 1 . . . . 95 TYR HE1 . 7079 1 1068 . 1 1 95 95 TYR HE2 H 1 6.750 0.020 . 1 . . . . 95 TYR HE2 . 7079 1 1069 . 1 1 95 95 TYR C C 13 176.497 0.400 . 1 . . . . 95 TYR C . 7079 1 1070 . 1 1 95 95 TYR CA C 13 58.490 0.400 . 1 . . . . 95 TYR CA . 7079 1 1071 . 1 1 95 95 TYR CB C 13 39.240 0.400 . 1 . . . . 95 TYR CB . 7079 1 1072 . 1 1 95 95 TYR N N 15 121.700 0.400 . 1 . . . . 95 TYR N . 7079 1 1073 . 1 1 97 97 GLY HA2 H 1 2.776 0.020 . 2 . . . . 97 GLY HA2 . 7079 1 1074 . 1 1 97 97 GLY HA3 H 1 3.923 0.020 . 2 . . . . 97 GLY HA3 . 7079 1 1075 . 1 1 97 97 GLY C C 13 171.457 0.400 . 1 . . . . 97 GLY C . 7079 1 1076 . 1 1 97 97 GLY CA C 13 44.080 0.400 . 1 . . . . 97 GLY CA . 7079 1 1077 . 1 1 98 98 ASP H H 1 8.232 0.020 . 1 . . . . 98 ASP H . 7079 1 1078 . 1 1 98 98 ASP HA H 1 4.475 0.020 . 1 . . . . 98 ASP HA . 7079 1 1079 . 1 1 98 98 ASP HB2 H 1 2.653 0.020 . 2 . . . . 98 ASP HB2 . 7079 1 1080 . 1 1 98 98 ASP HB3 H 1 2.910 0.020 . 2 . . . . 98 ASP HB3 . 7079 1 1081 . 1 1 98 98 ASP C C 13 179.314 0.400 . 1 . . . . 98 ASP C . 7079 1 1082 . 1 1 98 98 ASP CA C 13 53.850 0.400 . 1 . . . . 98 ASP CA . 7079 1 1083 . 1 1 98 98 ASP CB C 13 41.200 0.400 . 1 . . . . 98 ASP CB . 7079 1 1084 . 1 1 98 98 ASP N N 15 117.200 0.400 . 1 . . . . 98 ASP N . 7079 1 1085 . 1 1 99 99 MET H H 1 9.224 0.020 . 1 . . . . 99 MET H . 7079 1 1086 . 1 1 99 99 MET HA H 1 4.429 0.020 . 1 . . . . 99 MET HA . 7079 1 1087 . 1 1 99 99 MET HB2 H 1 2.091 0.020 . 1 . . . . 99 MET HB2 . 7079 1 1088 . 1 1 99 99 MET HB3 H 1 2.091 0.020 . 1 . . . . 99 MET HB3 . 7079 1 1089 . 1 1 99 99 MET HG2 H 1 2.080 0.020 . 1 . . . . 99 MET HG2 . 7079 1 1090 . 1 1 99 99 MET HG3 H 1 2.080 0.020 . 1 . . . . 99 MET HG3 . 7079 1 1091 . 1 1 99 99 MET C C 13 175.441 0.400 . 1 . . . . 99 MET C . 7079 1 1092 . 1 1 99 99 MET CA C 13 57.110 0.400 . 1 . . . . 99 MET CA . 7079 1 1093 . 1 1 99 99 MET CG C 13 31.960 0.400 . 1 . . . . 99 MET CG . 7079 1 1094 . 1 1 99 99 MET N N 15 129.400 0.400 . 1 . . . . 99 MET N . 7079 1 1095 . 1 1 100 100 ASN H H 1 8.638 0.020 . 1 . . . . 100 ASN H . 7079 1 1096 . 1 1 100 100 ASN HA H 1 4.764 0.020 . 1 . . . . 100 ASN HA . 7079 1 1097 . 1 1 100 100 ASN HB2 H 1 2.874 0.020 . 1 . . . . 100 ASN HB2 . 7079 1 1098 . 1 1 100 100 ASN HB3 H 1 2.874 0.020 . 1 . . . . 100 ASN HB3 . 7079 1 1099 . 1 1 100 100 ASN HD21 H 1 7.017 0.020 . 2 . . . . 100 ASN HD21 . 7079 1 1100 . 1 1 100 100 ASN HD22 H 1 7.986 0.020 . 2 . . . . 100 ASN HD22 . 7079 1 1101 . 1 1 100 100 ASN C C 13 175.385 0.400 . 1 . . . . 100 ASN C . 7079 1 1102 . 1 1 100 100 ASN CA C 13 53.620 0.400 . 1 . . . . 100 ASN CA . 7079 1 1103 . 1 1 100 100 ASN CB C 13 38.910 0.400 . 1 . . . . 100 ASN CB . 7079 1 1104 . 1 1 100 100 ASN N N 15 114.100 0.400 . 1 . . . . 100 ASN N . 7079 1 1105 . 1 1 100 100 ASN ND2 N 15 115.600 0.400 . 1 . . . . 100 ASN ND2 . 7079 1 1106 . 1 1 101 101 ASP H H 1 7.322 0.020 . 1 . . . . 101 ASP H . 7079 1 1107 . 1 1 101 101 ASP HA H 1 4.929 0.020 . 1 . . . . 101 ASP HA . 7079 1 1108 . 1 1 101 101 ASP HB2 H 1 3.011 0.020 . 2 . . . . 101 ASP HB2 . 7079 1 1109 . 1 1 101 101 ASP HB3 H 1 3.142 0.020 . 2 . . . . 101 ASP HB3 . 7079 1 1110 . 1 1 101 101 ASP C C 13 174.335 0.400 . 1 . . . . 101 ASP C . 7079 1 1111 . 1 1 101 101 ASP CA C 13 51.870 0.400 . 1 . . . . 101 ASP CA . 7079 1 1112 . 1 1 101 101 ASP CB C 13 39.450 0.400 . 1 . . . . 101 ASP CB . 7079 1 1113 . 1 1 101 101 ASP N N 15 119.800 0.400 . 1 . . . . 101 ASP N . 7079 1 1114 . 1 1 102 102 SER H H 1 8.182 0.020 . 1 . . . . 102 SER H . 7079 1 1115 . 1 1 102 102 SER HA H 1 3.944 0.020 . 1 . . . . 102 SER HA . 7079 1 1116 . 1 1 102 102 SER HB2 H 1 3.917 0.020 . 1 . . . . 102 SER HB2 . 7079 1 1117 . 1 1 102 102 SER HB3 H 1 3.917 0.020 . 1 . . . . 102 SER HB3 . 7079 1 1118 . 1 1 102 102 SER C C 13 175.410 0.400 . 1 . . . . 102 SER C . 7079 1 1119 . 1 1 102 102 SER CA C 13 61.810 0.400 . 1 . . . . 102 SER CA . 7079 1 1120 . 1 1 102 102 SER CB C 13 62.800 0.400 . 1 . . . . 102 SER CB . 7079 1 1121 . 1 1 102 102 SER N N 15 119.900 0.400 . 1 . . . . 102 SER N . 7079 1 1122 . 1 1 103 103 ALA H H 1 8.436 0.020 . 1 . . . . 103 ALA H . 7079 1 1123 . 1 1 103 103 ALA HA H 1 4.268 0.020 . 1 . . . . 103 ALA HA . 7079 1 1124 . 1 1 103 103 ALA HB1 H 1 1.565 0.020 . 1 . . . . 103 ALA HB . 7079 1 1125 . 1 1 103 103 ALA HB2 H 1 1.565 0.020 . 1 . . . . 103 ALA HB . 7079 1 1126 . 1 1 103 103 ALA HB3 H 1 1.565 0.020 . 1 . . . . 103 ALA HB . 7079 1 1127 . 1 1 103 103 ALA C C 13 181.049 0.400 . 1 . . . . 103 ALA C . 7079 1 1128 . 1 1 103 103 ALA CA C 13 55.750 0.400 . 1 . . . . 103 ALA CA . 7079 1 1129 . 1 1 103 103 ALA CB C 13 18.150 0.400 . 1 . . . . 103 ALA CB . 7079 1 1130 . 1 1 103 103 ALA N N 15 124.000 0.400 . 1 . . . . 103 ALA N . 7079 1 1131 . 1 1 104 104 SER H H 1 7.723 0.020 . 1 . . . . 104 SER H . 7079 1 1132 . 1 1 104 104 SER HA H 1 4.321 0.020 . 1 . . . . 104 SER HA . 7079 1 1133 . 1 1 104 104 SER HB2 H 1 3.900 0.020 . 1 . . . . 104 SER HB2 . 7079 1 1134 . 1 1 104 104 SER HB3 H 1 3.900 0.020 . 1 . . . . 104 SER HB3 . 7079 1 1135 . 1 1 104 104 SER C C 13 177.521 0.400 . 1 . . . . 104 SER C . 7079 1 1136 . 1 1 104 104 SER CA C 13 61.440 0.400 . 1 . . . . 104 SER CA . 7079 1 1137 . 1 1 104 104 SER N N 15 113.400 0.400 . 1 . . . . 104 SER N . 7079 1 1138 . 1 1 105 105 MET H H 1 8.204 0.020 . 1 . . . . 105 MET H . 7079 1 1139 . 1 1 105 105 MET HA H 1 3.689 0.020 . 1 . . . . 105 MET HA . 7079 1 1140 . 1 1 105 105 MET HB2 H 1 1.921 0.020 . 2 . . . . 105 MET HB2 . 7079 1 1141 . 1 1 105 105 MET HB3 H 1 2.125 0.020 . 2 . . . . 105 MET HB3 . 7079 1 1142 . 1 1 105 105 MET HG2 H 1 1.975 0.020 . 1 . . . . 105 MET HG2 . 7079 1 1143 . 1 1 105 105 MET HG3 H 1 1.975 0.020 . 1 . . . . 105 MET HG3 . 7079 1 1144 . 1 1 105 105 MET C C 13 177.542 0.400 . 1 . . . . 105 MET C . 7079 1 1145 . 1 1 105 105 MET CA C 13 59.540 0.400 . 1 . . . . 105 MET CA . 7079 1 1146 . 1 1 105 105 MET N N 15 124.200 0.400 . 1 . . . . 105 MET N . 7079 1 1147 . 1 1 106 106 ASN H H 1 8.904 0.020 . 1 . . . . 106 ASN H . 7079 1 1148 . 1 1 106 106 ASN HA H 1 4.535 0.020 . 1 . . . . 106 ASN HA . 7079 1 1149 . 1 1 106 106 ASN HB2 H 1 3.084 0.020 . 1 . . . . 106 ASN HB2 . 7079 1 1150 . 1 1 106 106 ASN HB3 H 1 3.084 0.020 . 1 . . . . 106 ASN HB3 . 7079 1 1151 . 1 1 106 106 ASN C C 13 179.548 0.400 . 1 . . . . 106 ASN C . 7079 1 1152 . 1 1 106 106 ASN CA C 13 58.120 0.400 . 1 . . . . 106 ASN CA . 7079 1 1153 . 1 1 106 106 ASN CB C 13 37.500 0.400 . 1 . . . . 106 ASN CB . 7079 1 1154 . 1 1 106 106 ASN N N 15 118.300 0.400 . 1 . . . . 106 ASN N . 7079 1 1155 . 1 1 107 107 ILE H H 1 7.598 0.020 . 1 . . . . 107 ILE H . 7079 1 1156 . 1 1 107 107 ILE HA H 1 3.904 0.020 . 1 . . . . 107 ILE HA . 7079 1 1157 . 1 1 107 107 ILE HB H 1 2.037 0.020 . 1 . . . . 107 ILE HB . 7079 1 1158 . 1 1 107 107 ILE HG12 H 1 1.329 0.020 . 2 . . . . 107 ILE HG12 . 7079 1 1159 . 1 1 107 107 ILE HG13 H 1 1.880 0.020 . 2 . . . . 107 ILE HG13 . 7079 1 1160 . 1 1 107 107 ILE HG21 H 1 1.115 0.020 . 1 . . . . 107 ILE HG2 . 7079 1 1161 . 1 1 107 107 ILE HG22 H 1 1.115 0.020 . 1 . . . . 107 ILE HG2 . 7079 1 1162 . 1 1 107 107 ILE HG23 H 1 1.115 0.020 . 1 . . . . 107 ILE HG2 . 7079 1 1163 . 1 1 107 107 ILE HD11 H 1 0.991 0.020 . 1 . . . . 107 ILE HD1 . 7079 1 1164 . 1 1 107 107 ILE HD12 H 1 0.991 0.020 . 1 . . . . 107 ILE HD1 . 7079 1 1165 . 1 1 107 107 ILE HD13 H 1 0.991 0.020 . 1 . . . . 107 ILE HD1 . 7079 1 1166 . 1 1 107 107 ILE C C 13 177.858 0.400 . 1 . . . . 107 ILE C . 7079 1 1167 . 1 1 107 107 ILE CA C 13 65.330 0.400 . 1 . . . . 107 ILE CA . 7079 1 1168 . 1 1 107 107 ILE CB C 13 39.050 0.400 . 1 . . . . 107 ILE CB . 7079 1 1169 . 1 1 107 107 ILE CG1 C 13 29.430 0.400 . 1 . . . . 107 ILE CG1 . 7079 1 1170 . 1 1 107 107 ILE CG2 C 13 17.150 0.400 . 1 . . . . 107 ILE CG2 . 7079 1 1171 . 1 1 107 107 ILE CD1 C 13 13.260 0.400 . 1 . . . . 107 ILE CD1 . 7079 1 1172 . 1 1 107 107 ILE N N 15 122.700 0.400 . 1 . . . . 107 ILE N . 7079 1 1173 . 1 1 108 108 TRP H H 1 7.902 0.020 . 1 . . . . 108 TRP H . 7079 1 1174 . 1 1 108 108 TRP HA H 1 4.168 0.020 . 1 . . . . 108 TRP HA . 7079 1 1175 . 1 1 108 108 TRP HB2 H 1 3.338 0.020 . 2 . . . . 108 TRP HB2 . 7079 1 1176 . 1 1 108 108 TRP HB3 H 1 3.480 0.020 . 2 . . . . 108 TRP HB3 . 7079 1 1177 . 1 1 108 108 TRP HD1 H 1 7.596 0.020 . 1 . . . . 108 TRP HD1 . 7079 1 1178 . 1 1 108 108 TRP HE1 H 1 10.452 0.020 . 1 . . . . 108 TRP HE1 . 7079 1 1179 . 1 1 108 108 TRP HE3 H 1 7.270 0.020 . 1 . . . . 108 TRP HE3 . 7079 1 1180 . 1 1 108 108 TRP HZ2 H 1 7.544 0.020 . 1 . . . . 108 TRP HZ2 . 7079 1 1181 . 1 1 108 108 TRP HZ3 H 1 6.874 0.020 . 1 . . . . 108 TRP HZ3 . 7079 1 1182 . 1 1 108 108 TRP HH2 H 1 7.026 0.020 . 1 . . . . 108 TRP HH2 . 7079 1 1183 . 1 1 108 108 TRP C C 13 178.596 0.400 . 1 . . . . 108 TRP C . 7079 1 1184 . 1 1 108 108 TRP CA C 13 62.630 0.400 . 1 . . . . 108 TRP CA . 7079 1 1185 . 1 1 108 108 TRP CB C 13 29.340 0.400 . 1 . . . . 108 TRP CB . 7079 1 1186 . 1 1 108 108 TRP CD1 C 13 128.300 0.400 . 1 . . . . 108 TRP CD1 . 7079 1 1187 . 1 1 108 108 TRP CZ2 C 13 115.500 0.400 . 1 . . . . 108 TRP CZ2 . 7079 1 1188 . 1 1 108 108 TRP N N 15 122.200 0.400 . 1 . . . . 108 TRP N . 7079 1 1189 . 1 1 108 108 TRP NE1 N 15 130.800 0.400 . 1 . . . . 108 TRP NE1 . 7079 1 1190 . 1 1 109 109 LEU H H 1 9.372 0.020 . 1 . . . . 109 LEU H . 7079 1 1191 . 1 1 109 109 LEU HA H 1 3.812 0.020 . 1 . . . . 109 LEU HA . 7079 1 1192 . 1 1 109 109 LEU HB2 H 1 1.245 0.020 . 2 . . . . 109 LEU HB2 . 7079 1 1193 . 1 1 109 109 LEU HB3 H 1 2.356 0.020 . 2 . . . . 109 LEU HB3 . 7079 1 1194 . 1 1 109 109 LEU HG H 1 1.060 0.020 . 1 . . . . 109 LEU HG . 7079 1 1195 . 1 1 109 109 LEU HD11 H 1 1.011 0.020 . 2 . . . . 109 LEU HD1 . 7079 1 1196 . 1 1 109 109 LEU HD12 H 1 1.011 0.020 . 2 . . . . 109 LEU HD1 . 7079 1 1197 . 1 1 109 109 LEU HD13 H 1 1.011 0.020 . 2 . . . . 109 LEU HD1 . 7079 1 1198 . 1 1 109 109 LEU HD21 H 1 1.011 0.020 . 2 . . . . 109 LEU HD2 . 7079 1 1199 . 1 1 109 109 LEU HD22 H 1 1.011 0.020 . 2 . . . . 109 LEU HD2 . 7079 1 1200 . 1 1 109 109 LEU HD23 H 1 1.011 0.020 . 2 . . . . 109 LEU HD2 . 7079 1 1201 . 1 1 109 109 LEU C C 13 178.254 0.400 . 1 . . . . 109 LEU C . 7079 1 1202 . 1 1 109 109 LEU CA C 13 57.920 0.400 . 1 . . . . 109 LEU CA . 7079 1 1203 . 1 1 109 109 LEU CB C 13 44.850 0.400 . 1 . . . . 109 LEU CB . 7079 1 1204 . 1 1 109 109 LEU CG C 13 26.170 0.400 . 1 . . . . 109 LEU CG . 7079 1 1205 . 1 1 109 109 LEU CD1 C 13 23.460 0.400 . 1 . . . . 109 LEU CD1 . 7079 1 1206 . 1 1 109 109 LEU CD2 C 13 23.460 0.400 . 1 . . . . 109 LEU CD2 . 7079 1 1207 . 1 1 109 109 LEU N N 15 117.000 0.400 . 1 . . . . 109 LEU N . 7079 1 1208 . 1 1 110 110 HIS H H 1 7.922 0.020 . 1 . . . . 110 HIS H . 7079 1 1209 . 1 1 110 110 HIS HA H 1 3.781 0.020 . 1 . . . . 110 HIS HA . 7079 1 1210 . 1 1 110 110 HIS HB2 H 1 3.152 0.020 . 2 . . . . 110 HIS HB2 . 7079 1 1211 . 1 1 110 110 HIS HB3 H 1 3.281 0.020 . 2 . . . . 110 HIS HB3 . 7079 1 1212 . 1 1 110 110 HIS HD2 H 1 6.392 0.020 . 1 . . . . 110 HIS HD2 . 7079 1 1213 . 1 1 110 110 HIS C C 13 176.530 0.400 . 1 . . . . 110 HIS C . 7079 1 1214 . 1 1 110 110 HIS CA C 13 63.660 0.400 . 1 . . . . 110 HIS CA . 7079 1 1215 . 1 1 110 110 HIS CB C 13 31.750 0.400 . 1 . . . . 110 HIS CB . 7079 1 1216 . 1 1 110 110 HIS CD2 C 13 115.057 0.400 . 1 . . . . 110 HIS CD2 . 7079 1 1217 . 1 1 110 110 HIS N N 15 117.700 0.400 . 1 . . . . 110 HIS N . 7079 1 1218 . 1 1 111 111 LYS H H 1 7.578 0.020 . 1 . . . . 111 LYS H . 7079 1 1219 . 1 1 111 111 LYS HA H 1 3.969 0.020 . 1 . . . . 111 LYS HA . 7079 1 1220 . 1 1 111 111 LYS HB2 H 1 1.857 0.020 . 1 . . . . 111 LYS HB2 . 7079 1 1221 . 1 1 111 111 LYS HB3 H 1 1.857 0.020 . 1 . . . . 111 LYS HB3 . 7079 1 1222 . 1 1 111 111 LYS HG2 H 1 1.424 0.020 . 2 . . . . 111 LYS HG2 . 7079 1 1223 . 1 1 111 111 LYS HG3 H 1 1.500 0.020 . 2 . . . . 111 LYS HG3 . 7079 1 1224 . 1 1 111 111 LYS HD2 H 1 1.687 0.020 . 1 . . . . 111 LYS HD2 . 7079 1 1225 . 1 1 111 111 LYS HD3 H 1 1.687 0.020 . 1 . . . . 111 LYS HD3 . 7079 1 1226 . 1 1 111 111 LYS HE2 H 1 2.964 0.020 . 1 . . . . 111 LYS HE2 . 7079 1 1227 . 1 1 111 111 LYS HE3 H 1 2.964 0.020 . 1 . . . . 111 LYS HE3 . 7079 1 1228 . 1 1 111 111 LYS C C 13 179.356 0.400 . 1 . . . . 111 LYS C . 7079 1 1229 . 1 1 111 111 LYS CA C 13 59.860 0.400 . 1 . . . . 111 LYS CA . 7079 1 1230 . 1 1 111 111 LYS CB C 13 32.490 0.400 . 1 . . . . 111 LYS CB . 7079 1 1231 . 1 1 111 111 LYS CG C 13 25.450 0.400 . 1 . . . . 111 LYS CG . 7079 1 1232 . 1 1 111 111 LYS CD C 13 29.680 0.400 . 1 . . . . 111 LYS CD . 7079 1 1233 . 1 1 111 111 LYS CE C 13 42.050 0.400 . 1 . . . . 111 LYS CE . 7079 1 1234 . 1 1 111 111 LYS N N 15 116.500 0.400 . 1 . . . . 111 LYS N . 7079 1 1235 . 1 1 112 112 GLN H H 1 8.375 0.020 . 1 . . . . 112 GLN H . 7079 1 1236 . 1 1 112 112 GLN HA H 1 3.713 0.020 . 1 . . . . 112 GLN HA . 7079 1 1237 . 1 1 112 112 GLN HB2 H 1 1.060 0.020 . 2 . . . . 112 GLN HB2 . 7079 1 1238 . 1 1 112 112 GLN HB3 H 1 1.445 0.020 . 2 . . . . 112 GLN HB3 . 7079 1 1239 . 1 1 112 112 GLN HG3 H 1 1.412 0.020 . 2 . . . . 112 GLN HG3 . 7079 1 1240 . 1 1 112 112 GLN HE21 H 1 6.505 0.020 . 2 . . . . 112 GLN HE21 . 7079 1 1241 . 1 1 112 112 GLN HE22 H 1 6.830 0.020 . 2 . . . . 112 GLN HE22 . 7079 1 1242 . 1 1 112 112 GLN C C 13 179.206 0.400 . 1 . . . . 112 GLN C . 7079 1 1243 . 1 1 112 112 GLN CA C 13 57.910 0.400 . 1 . . . . 112 GLN CA . 7079 1 1244 . 1 1 112 112 GLN CB C 13 27.780 0.400 . 1 . . . . 112 GLN CB . 7079 1 1245 . 1 1 112 112 GLN CG C 13 31.960 0.400 . 1 . . . . 112 GLN CG . 7079 1 1246 . 1 1 112 112 GLN N N 15 118.200 0.400 . 1 . . . . 112 GLN N . 7079 1 1247 . 1 1 112 112 GLN NE2 N 15 111.696 0.400 . 1 . . . . 112 GLN NE2 . 7079 1 1248 . 1 1 113 113 VAL H H 1 8.600 0.020 . 1 . . . . 113 VAL H . 7079 1 1249 . 1 1 113 113 VAL HA H 1 3.445 0.020 . 1 . . . . 113 VAL HA . 7079 1 1250 . 1 1 113 113 VAL HB H 1 2.053 0.020 . 1 . . . . 113 VAL HB . 7079 1 1251 . 1 1 113 113 VAL HG11 H 1 0.821 0.020 . 2 . . . . 113 VAL HG1 . 7079 1 1252 . 1 1 113 113 VAL HG12 H 1 0.821 0.020 . 2 . . . . 113 VAL HG1 . 7079 1 1253 . 1 1 113 113 VAL HG13 H 1 0.821 0.020 . 2 . . . . 113 VAL HG1 . 7079 1 1254 . 1 1 113 113 VAL HG21 H 1 1.053 0.020 . 2 . . . . 113 VAL HG2 . 7079 1 1255 . 1 1 113 113 VAL HG22 H 1 1.053 0.020 . 2 . . . . 113 VAL HG2 . 7079 1 1256 . 1 1 113 113 VAL HG23 H 1 1.053 0.020 . 2 . . . . 113 VAL HG2 . 7079 1 1257 . 1 1 113 113 VAL C C 13 177.635 0.400 . 1 . . . . 113 VAL C . 7079 1 1258 . 1 1 113 113 VAL CA C 13 67.810 0.400 . 1 . . . . 113 VAL CA . 7079 1 1259 . 1 1 113 113 VAL CB C 13 31.130 0.400 . 1 . . . . 113 VAL CB . 7079 1 1260 . 1 1 113 113 VAL CG1 C 13 21.330 0.400 . 1 . . . . 113 VAL CG1 . 7079 1 1261 . 1 1 113 113 VAL CG2 C 13 24.520 0.400 . 1 . . . . 113 VAL CG2 . 7079 1 1262 . 1 1 113 113 VAL N N 15 119.400 0.400 . 1 . . . . 113 VAL N . 7079 1 1263 . 1 1 114 114 MET H H 1 8.218 0.020 . 1 . . . . 114 MET H . 7079 1 1264 . 1 1 114 114 MET HA H 1 4.319 0.020 . 1 . . . . 114 MET HA . 7079 1 1265 . 1 1 114 114 MET HB2 H 1 1.590 0.020 . 2 . . . . 114 MET HB2 . 7079 1 1266 . 1 1 114 114 MET HB3 H 1 2.307 0.020 . 2 . . . . 114 MET HB3 . 7079 1 1267 . 1 1 114 114 MET C C 13 178.523 0.400 . 1 . . . . 114 MET C . 7079 1 1268 . 1 1 114 114 MET CA C 13 57.590 0.400 . 1 . . . . 114 MET CA . 7079 1 1269 . 1 1 114 114 MET CB C 13 32.070 0.400 . 1 . . . . 114 MET CB . 7079 1 1270 . 1 1 114 114 MET N N 15 117.300 0.400 . 1 . . . . 114 MET N . 7079 1 1271 . 1 1 115 115 SER H H 1 8.244 0.020 . 1 . . . . 115 SER H . 7079 1 1272 . 1 1 115 115 SER HA H 1 4.010 0.020 . 1 . . . . 115 SER HA . 7079 1 1273 . 1 1 115 115 SER HB2 H 1 4.003 0.020 . 1 . . . . 115 SER HB2 . 7079 1 1274 . 1 1 115 115 SER HB3 H 1 4.003 0.020 . 1 . . . . 115 SER HB3 . 7079 1 1275 . 1 1 115 115 SER C C 13 177.856 0.400 . 1 . . . . 115 SER C . 7079 1 1276 . 1 1 115 115 SER CA C 13 62.000 0.400 . 1 . . . . 115 SER CA . 7079 1 1277 . 1 1 115 115 SER CB C 13 63.000 0.400 . 1 . . . . 115 SER CB . 7079 1 1278 . 1 1 115 115 SER N N 15 113.700 0.400 . 1 . . . . 115 SER N . 7079 1 1279 . 1 1 116 116 LYS H H 1 8.252 0.020 . 1 . . . . 116 LYS H . 7079 1 1280 . 1 1 116 116 LYS HA H 1 4.154 0.020 . 1 . . . . 116 LYS HA . 7079 1 1281 . 1 1 116 116 LYS HB2 H 1 1.835 0.020 . 2 . . . . 116 LYS HB2 . 7079 1 1282 . 1 1 116 116 LYS HB3 H 1 2.093 0.020 . 2 . . . . 116 LYS HB3 . 7079 1 1283 . 1 1 116 116 LYS HG2 H 1 1.335 0.020 . 1 . . . . 116 LYS HG2 . 7079 1 1284 . 1 1 116 116 LYS HG3 H 1 1.335 0.020 . 1 . . . . 116 LYS HG3 . 7079 1 1285 . 1 1 116 116 LYS HD2 H 1 1.973 0.020 . 2 . . . . 116 LYS HD2 . 7079 1 1286 . 1 1 116 116 LYS HD3 H 1 2.096 0.020 . 2 . . . . 116 LYS HD3 . 7079 1 1287 . 1 1 116 116 LYS HE2 H 1 2.633 0.020 . 2 . . . . 116 LYS HE2 . 7079 1 1288 . 1 1 116 116 LYS HE3 H 1 2.942 0.020 . 2 . . . . 116 LYS HE3 . 7079 1 1289 . 1 1 116 116 LYS C C 13 179.790 0.400 . 1 . . . . 116 LYS C . 7079 1 1290 . 1 1 116 116 LYS CA C 13 56.580 0.400 . 1 . . . . 116 LYS CA . 7079 1 1291 . 1 1 116 116 LYS CB C 13 32.470 0.400 . 1 . . . . 116 LYS CB . 7079 1 1292 . 1 1 116 116 LYS CD C 13 29.100 0.400 . 1 . . . . 116 LYS CD . 7079 1 1293 . 1 1 116 116 LYS CE C 13 41.920 0.400 . 1 . . . . 116 LYS CE . 7079 1 1294 . 1 1 116 116 LYS N N 15 122.300 0.400 . 1 . . . . 116 LYS N . 7079 1 1295 . 1 1 117 117 LEU H H 1 8.651 0.020 . 1 . . . . 117 LEU H . 7079 1 1296 . 1 1 117 117 LEU HA H 1 4.252 0.020 . 1 . . . . 117 LEU HA . 7079 1 1297 . 1 1 117 117 LEU HB2 H 1 1.236 0.020 . 2 . . . . 117 LEU HB2 . 7079 1 1298 . 1 1 117 117 LEU HB3 H 1 2.369 0.020 . 2 . . . . 117 LEU HB3 . 7079 1 1299 . 1 1 117 117 LEU HG H 1 0.780 0.020 . 1 . . . . 117 LEU HG . 7079 1 1300 . 1 1 117 117 LEU HD11 H 1 0.772 0.020 . 2 . . . . 117 LEU HD1 . 7079 1 1301 . 1 1 117 117 LEU HD12 H 1 0.772 0.020 . 2 . . . . 117 LEU HD1 . 7079 1 1302 . 1 1 117 117 LEU HD13 H 1 0.772 0.020 . 2 . . . . 117 LEU HD1 . 7079 1 1303 . 1 1 117 117 LEU HD21 H 1 0.816 0.020 . 2 . . . . 117 LEU HD2 . 7079 1 1304 . 1 1 117 117 LEU HD22 H 1 0.816 0.020 . 2 . . . . 117 LEU HD2 . 7079 1 1305 . 1 1 117 117 LEU HD23 H 1 0.816 0.020 . 2 . . . . 117 LEU HD2 . 7079 1 1306 . 1 1 117 117 LEU C C 13 180.339 0.400 . 1 . . . . 117 LEU C . 7079 1 1307 . 1 1 117 117 LEU CA C 13 59.020 0.400 . 1 . . . . 117 LEU CA . 7079 1 1308 . 1 1 117 117 LEU CB C 13 41.800 0.400 . 1 . . . . 117 LEU CB . 7079 1 1309 . 1 1 117 117 LEU CD1 C 13 25.620 0.400 . 1 . . . . 117 LEU CD1 . 7079 1 1310 . 1 1 117 117 LEU CD2 C 13 23.860 0.400 . 1 . . . . 117 LEU CD2 . 7079 1 1311 . 1 1 117 117 LEU N N 15 121.000 0.400 . 1 . . . . 117 LEU N . 7079 1 1312 . 1 1 118 118 VAL H H 1 7.857 0.020 . 1 . . . . 118 VAL H . 7079 1 1313 . 1 1 118 118 VAL HA H 1 4.370 0.020 . 1 . . . . 118 VAL HA . 7079 1 1314 . 1 1 118 118 VAL HB H 1 2.152 0.020 . 1 . . . . 118 VAL HB . 7079 1 1315 . 1 1 118 118 VAL HG11 H 1 0.979 0.020 . 2 . . . . 118 VAL HG1 . 7079 1 1316 . 1 1 118 118 VAL HG12 H 1 0.979 0.020 . 2 . . . . 118 VAL HG1 . 7079 1 1317 . 1 1 118 118 VAL HG13 H 1 0.979 0.020 . 2 . . . . 118 VAL HG1 . 7079 1 1318 . 1 1 118 118 VAL HG21 H 1 1.021 0.020 . 2 . . . . 118 VAL HG2 . 7079 1 1319 . 1 1 118 118 VAL HG22 H 1 1.021 0.020 . 2 . . . . 118 VAL HG2 . 7079 1 1320 . 1 1 118 118 VAL HG23 H 1 1.021 0.020 . 2 . . . . 118 VAL HG2 . 7079 1 1321 . 1 1 118 118 VAL C C 13 180.264 0.400 . 1 . . . . 118 VAL C . 7079 1 1322 . 1 1 118 118 VAL CA C 13 65.090 0.400 . 1 . . . . 118 VAL CA . 7079 1 1323 . 1 1 118 118 VAL CB C 13 31.970 0.400 . 1 . . . . 118 VAL CB . 7079 1 1324 . 1 1 118 118 VAL CG1 C 13 22.740 0.400 . 1 . . . . 118 VAL CG1 . 7079 1 1325 . 1 1 118 118 VAL CG2 C 13 21.160 0.400 . 1 . . . . 118 VAL CG2 . 7079 1 1326 . 1 1 118 118 VAL N N 15 120.400 0.400 . 1 . . . . 118 VAL N . 7079 1 1327 . 1 1 119 119 ALA H H 1 8.118 0.020 . 1 . . . . 119 ALA H . 7079 1 1328 . 1 1 119 119 ALA HA H 1 4.246 0.020 . 1 . . . . 119 ALA HA . 7079 1 1329 . 1 1 119 119 ALA HB1 H 1 1.551 0.020 . 1 . . . . 119 ALA HB . 7079 1 1330 . 1 1 119 119 ALA HB2 H 1 1.551 0.020 . 1 . . . . 119 ALA HB . 7079 1 1331 . 1 1 119 119 ALA HB3 H 1 1.551 0.020 . 1 . . . . 119 ALA HB . 7079 1 1332 . 1 1 119 119 ALA C C 13 178.194 0.400 . 1 . . . . 119 ALA C . 7079 1 1333 . 1 1 119 119 ALA CB C 13 18.820 0.400 . 1 . . . . 119 ALA CB . 7079 1 1334 . 1 1 119 119 ALA N N 15 123.100 0.400 . 1 . . . . 119 ALA N . 7079 1 1335 . 1 1 120 120 ASN H H 1 7.434 0.020 . 1 . . . . 120 ASN H . 7079 1 1336 . 1 1 120 120 ASN HA H 1 4.726 0.020 . 1 . . . . 120 ASN HA . 7079 1 1337 . 1 1 120 120 ASN HB2 H 1 2.421 0.020 . 2 . . . . 120 ASN HB2 . 7079 1 1338 . 1 1 120 120 ASN HB3 H 1 2.505 0.020 . 2 . . . . 120 ASN HB3 . 7079 1 1339 . 1 1 120 120 ASN HD21 H 1 6.646 0.020 . 2 . . . . 120 ASN HD21 . 7079 1 1340 . 1 1 120 120 ASN HD22 H 1 7.208 0.020 . 2 . . . . 120 ASN HD22 . 7079 1 1341 . 1 1 120 120 ASN C C 13 173.586 0.400 . 1 . . . . 120 ASN C . 7079 1 1342 . 1 1 120 120 ASN CA C 13 53.230 0.400 . 1 . . . . 120 ASN CA . 7079 1 1343 . 1 1 120 120 ASN CB C 13 40.430 0.400 . 1 . . . . 120 ASN CB . 7079 1 1344 . 1 1 120 120 ASN N N 15 114.500 0.400 . 1 . . . . 120 ASN N . 7079 1 1345 . 1 1 120 120 ASN ND2 N 15 112.905 0.400 . 1 . . . . 120 ASN ND2 . 7079 1 1346 . 1 1 121 121 GLY H H 1 7.801 0.020 . 1 . . . . 121 GLY H . 7079 1 1347 . 1 1 121 121 GLY HA2 H 1 4.410 0.020 . 2 . . . . 121 GLY HA2 . 7079 1 1348 . 1 1 121 121 GLY HA3 H 1 3.763 0.020 . 2 . . . . 121 GLY HA3 . 7079 1 1349 . 1 1 121 121 GLY C C 13 174.561 0.400 . 1 . . . . 121 GLY C . 7079 1 1350 . 1 1 121 121 GLY CA C 13 45.650 0.400 . 1 . . . . 121 GLY CA . 7079 1 1351 . 1 1 121 121 GLY N N 15 105.300 0.400 . 1 . . . . 121 GLY N . 7079 1 1352 . 1 1 122 122 GLY H H 1 8.840 0.020 . 1 . . . . 122 GLY H . 7079 1 1353 . 1 1 122 122 GLY HA2 H 1 3.060 0.020 . 2 . . . . 122 GLY HA2 . 7079 1 1354 . 1 1 122 122 GLY HA3 H 1 4.712 0.020 . 2 . . . . 122 GLY HA3 . 7079 1 1355 . 1 1 122 122 GLY C C 13 171.890 0.400 . 1 . . . . 122 GLY C . 7079 1 1356 . 1 1 122 122 GLY CA C 13 44.850 0.400 . 1 . . . . 122 GLY CA . 7079 1 1357 . 1 1 122 122 GLY N N 15 109.400 0.400 . 1 . . . . 122 GLY N . 7079 1 1358 . 1 1 123 123 LYS H H 1 8.895 0.020 . 1 . . . . 123 LYS H . 7079 1 1359 . 1 1 123 123 LYS HA H 1 4.705 0.020 . 1 . . . . 123 LYS HA . 7079 1 1360 . 1 1 123 123 LYS HB2 H 1 1.757 0.020 . 2 . . . . 123 LYS HB2 . 7079 1 1361 . 1 1 123 123 LYS HB3 H 1 1.839 0.020 . 2 . . . . 123 LYS HB3 . 7079 1 1362 . 1 1 123 123 LYS HG2 H 1 1.343 0.020 . 2 . . . . 123 LYS HG2 . 7079 1 1363 . 1 1 123 123 LYS HG3 H 1 1.440 0.020 . 2 . . . . 123 LYS HG3 . 7079 1 1364 . 1 1 123 123 LYS HD2 H 1 1.665 0.020 . 1 . . . . 123 LYS HD2 . 7079 1 1365 . 1 1 123 123 LYS HD3 H 1 1.665 0.020 . 1 . . . . 123 LYS HD3 . 7079 1 1366 . 1 1 123 123 LYS HE2 H 1 2.965 0.020 . 1 . . . . 123 LYS HE2 . 7079 1 1367 . 1 1 123 123 LYS HE3 H 1 2.965 0.020 . 1 . . . . 123 LYS HE3 . 7079 1 1368 . 1 1 123 123 LYS C C 13 176.310 0.400 . 1 . . . . 123 LYS C . 7079 1 1369 . 1 1 123 123 LYS CA C 13 54.940 0.400 . 1 . . . . 123 LYS CA . 7079 1 1370 . 1 1 123 123 LYS CB C 13 33.920 0.400 . 1 . . . . 123 LYS CB . 7079 1 1371 . 1 1 123 123 LYS CG C 13 24.632 0.400 . 1 . . . . 123 LYS CG . 7079 1 1372 . 1 1 123 123 LYS CD C 13 29.200 0.400 . 1 . . . . 123 LYS CD . 7079 1 1373 . 1 1 123 123 LYS CE C 13 41.740 0.400 . 1 . . . . 123 LYS CE . 7079 1 1374 . 1 1 123 123 LYS N N 15 123.200 0.400 . 1 . . . . 123 LYS N . 7079 1 1375 . 1 1 124 124 LEU H H 1 8.905 0.020 . 1 . . . . 124 LEU H . 7079 1 1376 . 1 1 124 124 LEU HA H 1 4.875 0.020 . 1 . . . . 124 LEU HA . 7079 1 1377 . 1 1 124 124 LEU HB2 H 1 1.509 0.020 . 2 . . . . 124 LEU HB2 . 7079 1 1378 . 1 1 124 124 LEU HB3 H 1 1.655 0.020 . 2 . . . . 124 LEU HB3 . 7079 1 1379 . 1 1 124 124 LEU HG H 1 0.870 0.020 . 1 . . . . 124 LEU HG . 7079 1 1380 . 1 1 124 124 LEU HD11 H 1 0.955 0.020 . 2 . . . . 124 LEU HD1 . 7079 1 1381 . 1 1 124 124 LEU HD12 H 1 0.955 0.020 . 2 . . . . 124 LEU HD1 . 7079 1 1382 . 1 1 124 124 LEU HD13 H 1 0.955 0.020 . 2 . . . . 124 LEU HD1 . 7079 1 1383 . 1 1 124 124 LEU HD21 H 1 0.955 0.020 . 2 . . . . 124 LEU HD2 . 7079 1 1384 . 1 1 124 124 LEU HD22 H 1 0.955 0.020 . 2 . . . . 124 LEU HD2 . 7079 1 1385 . 1 1 124 124 LEU HD23 H 1 0.955 0.020 . 2 . . . . 124 LEU HD2 . 7079 1 1386 . 1 1 124 124 LEU C C 13 174.221 0.400 . 1 . . . . 124 LEU C . 7079 1 1387 . 1 1 124 124 LEU CA C 13 51.810 0.400 . 1 . . . . 124 LEU CA . 7079 1 1388 . 1 1 124 124 LEU CB C 13 42.980 0.400 . 1 . . . . 124 LEU CB . 7079 1 1389 . 1 1 124 124 LEU N N 15 126.800 0.400 . 1 . . . . 124 LEU N . 7079 1 1390 . 1 1 125 125 PRO HD2 H 1 3.722 0.020 . 1 . . . . 125 PRO HD2 . 7079 1 1391 . 1 1 125 125 PRO HD3 H 1 3.722 0.020 . 1 . . . . 125 PRO HD3 . 7079 1 1392 . 1 1 126 126 PRO HA H 1 4.390 0.020 . 1 . . . . 126 PRO HA . 7079 1 1393 . 1 1 126 126 PRO HB2 H 1 1.996 0.020 . 2 . . . . 126 PRO HB2 . 7079 1 1394 . 1 1 126 126 PRO HB3 H 1 2.379 0.020 . 2 . . . . 126 PRO HB3 . 7079 1 1395 . 1 1 126 126 PRO HG2 H 1 2.103 0.020 . 1 . . . . 126 PRO HG2 . 7079 1 1396 . 1 1 126 126 PRO HG3 H 1 2.103 0.020 . 1 . . . . 126 PRO HG3 . 7079 1 1397 . 1 1 126 126 PRO HD2 H 1 3.827 0.020 . 1 . . . . 126 PRO HD2 . 7079 1 1398 . 1 1 126 126 PRO HD3 H 1 3.827 0.020 . 1 . . . . 126 PRO HD3 . 7079 1 1399 . 1 1 126 126 PRO C C 13 177.230 0.400 . 1 . . . . 126 PRO C . 7079 1 1400 . 1 1 126 126 PRO CA C 13 64.370 0.400 . 1 . . . . 126 PRO CA . 7079 1 1401 . 1 1 126 126 PRO CB C 13 32.100 0.400 . 1 . . . . 126 PRO CB . 7079 1 1402 . 1 1 126 126 PRO CG C 13 27.490 0.400 . 1 . . . . 126 PRO CG . 7079 1 1403 . 1 1 126 126 PRO CD C 13 50.680 0.400 . 1 . . . . 126 PRO CD . 7079 1 1404 . 1 1 127 127 GLU H H 1 9.313 0.020 . 1 . . . . 127 GLU H . 7079 1 1405 . 1 1 127 127 GLU HA H 1 4.190 0.020 . 1 . . . . 127 GLU HA . 7079 1 1406 . 1 1 127 127 GLU HB2 H 1 2.095 0.020 . 2 . . . . 127 GLU HB2 . 7079 1 1407 . 1 1 127 127 GLU HB3 H 1 2.283 0.020 . 2 . . . . 127 GLU HB3 . 7079 1 1408 . 1 1 127 127 GLU HG2 H 1 2.037 0.020 . 1 . . . . 127 GLU HG2 . 7079 1 1409 . 1 1 127 127 GLU HG3 H 1 2.037 0.020 . 1 . . . . 127 GLU HG3 . 7079 1 1410 . 1 1 127 127 GLU C C 13 176.800 0.400 . 1 . . . . 127 GLU C . 7079 1 1411 . 1 1 127 127 GLU CA C 13 57.840 0.400 . 1 . . . . 127 GLU CA . 7079 1 1412 . 1 1 127 127 GLU CB C 13 35.950 0.400 . 1 . . . . 127 GLU CB . 7079 1 1413 . 1 1 127 127 GLU N N 15 116.700 0.400 . 1 . . . . 127 GLU N . 7079 1 1414 . 1 1 128 128 ILE H H 1 7.518 0.020 . 1 . . . . 128 ILE H . 7079 1 1415 . 1 1 128 128 ILE HA H 1 4.160 0.020 . 1 . . . . 128 ILE HA . 7079 1 1416 . 1 1 128 128 ILE HB H 1 1.997 0.020 . 1 . . . . 128 ILE HB . 7079 1 1417 . 1 1 128 128 ILE HG12 H 1 1.370 0.020 . 2 . . . . 128 ILE HG12 . 7079 1 1418 . 1 1 128 128 ILE HG13 H 1 1.517 0.020 . 2 . . . . 128 ILE HG13 . 7079 1 1419 . 1 1 128 128 ILE HG21 H 1 1.029 0.020 . 1 . . . . 128 ILE HG2 . 7079 1 1420 . 1 1 128 128 ILE HG22 H 1 1.029 0.020 . 1 . . . . 128 ILE HG2 . 7079 1 1421 . 1 1 128 128 ILE HG23 H 1 1.029 0.020 . 1 . . . . 128 ILE HG2 . 7079 1 1422 . 1 1 128 128 ILE HD11 H 1 1.005 0.020 . 1 . . . . 128 ILE HD1 . 7079 1 1423 . 1 1 128 128 ILE HD12 H 1 1.005 0.020 . 1 . . . . 128 ILE HD1 . 7079 1 1424 . 1 1 128 128 ILE HD13 H 1 1.005 0.020 . 1 . . . . 128 ILE HD1 . 7079 1 1425 . 1 1 128 128 ILE C C 13 175.272 0.400 . 1 . . . . 128 ILE C . 7079 1 1426 . 1 1 128 128 ILE CA C 13 60.940 0.400 . 1 . . . . 128 ILE CA . 7079 1 1427 . 1 1 128 128 ILE CB C 13 37.440 0.400 . 1 . . . . 128 ILE CB . 7079 1 1428 . 1 1 128 128 ILE CG1 C 13 27.700 0.400 . 1 . . . . 128 ILE CG1 . 7079 1 1429 . 1 1 128 128 ILE CG2 C 13 17.540 0.400 . 1 . . . . 128 ILE CG2 . 7079 1 1430 . 1 1 128 128 ILE CD1 C 13 13.950 0.400 . 1 . . . . 128 ILE CD1 . 7079 1 1431 . 1 1 128 128 ILE N N 15 120.800 0.400 . 1 . . . . 128 ILE N . 7079 1 1432 . 1 1 129 129 LYS H H 1 8.430 0.020 . 1 . . . . 129 LYS H . 7079 1 1433 . 1 1 129 129 LYS HA H 1 4.336 0.020 . 1 . . . . 129 LYS HA . 7079 1 1434 . 1 1 129 129 LYS HB2 H 1 1.721 0.020 . 2 . . . . 129 LYS HB2 . 7079 1 1435 . 1 1 129 129 LYS HB3 H 1 1.854 0.020 . 2 . . . . 129 LYS HB3 . 7079 1 1436 . 1 1 129 129 LYS HG2 H 1 1.425 0.020 . 1 . . . . 129 LYS HG2 . 7079 1 1437 . 1 1 129 129 LYS HG3 H 1 1.425 0.020 . 1 . . . . 129 LYS HG3 . 7079 1 1438 . 1 1 129 129 LYS HD2 H 1 1.583 0.020 . 1 . . . . 129 LYS HD2 . 7079 1 1439 . 1 1 129 129 LYS HD3 H 1 1.583 0.020 . 1 . . . . 129 LYS HD3 . 7079 1 1440 . 1 1 129 129 LYS HE2 H 1 3.150 0.020 . 1 . . . . 129 LYS HE2 . 7079 1 1441 . 1 1 129 129 LYS HE3 H 1 3.150 0.020 . 1 . . . . 129 LYS HE3 . 7079 1 1442 . 1 1 129 129 LYS C C 13 175.203 0.400 . 1 . . . . 129 LYS C . 7079 1 1443 . 1 1 129 129 LYS CA C 13 56.260 0.400 . 1 . . . . 129 LYS CA . 7079 1 1444 . 1 1 129 129 LYS CB C 13 30.810 0.400 . 1 . . . . 129 LYS CB . 7079 1 1445 . 1 1 129 129 LYS CD C 13 27.170 0.400 . 1 . . . . 129 LYS CD . 7079 1 1446 . 1 1 129 129 LYS CE C 13 43.380 0.400 . 1 . . . . 129 LYS CE . 7079 1 1447 . 1 1 129 129 LYS N N 15 128.600 0.400 . 1 . . . . 129 LYS N . 7079 1 1448 . 1 1 130 130 HIS H H 1 7.999 0.020 . 1 . . . . 130 HIS H . 7079 1 1449 . 1 1 130 130 HIS HA H 1 4.453 0.020 . 1 . . . . 130 HIS HA . 7079 1 1450 . 1 1 130 130 HIS HB2 H 1 3.000 0.020 . 2 . . . . 130 HIS HB2 . 7079 1 1451 . 1 1 130 130 HIS HB3 H 1 3.050 0.020 . 2 . . . . 130 HIS HB3 . 7079 1 1452 . 1 1 130 130 HIS HE1 H 1 6.962 0.020 . 1 . . . . 130 HIS HE1 . 7079 1 1453 . 1 1 130 130 HIS C C 13 178.584 0.400 . 1 . . . . 130 HIS C . 7079 1 1454 . 1 1 130 130 HIS CA C 13 56.830 0.400 . 1 . . . . 130 HIS CA . 7079 1 1455 . 1 1 130 130 HIS CB C 13 30.320 0.400 . 1 . . . . 130 HIS CB . 7079 1 1456 . 1 1 130 130 HIS N N 15 125.300 0.400 . 1 . . . . 130 HIS N . 7079 1 stop_ save_