data_52444 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52444 _Entry.Title ; NMR Assignment of Backbone (1H, 15N, and 13C) resonances of RfaH protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-05-06 _Entry.Accession_date 2024-05-06 _Entry.Last_release_date 2024-05-06 _Entry.Original_release_date 2024-05-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Mengli Cai . . . 0009-0005-5859-7748 52444 2 Nipanshu Agarwal . . . 0000-0001-8392-2745 52444 3 Marius Clore . G. . 0000-0003-3809-1027 52444 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Laboratory of Chemical Physics, NIDDK, National Institutes of Health' . 52444 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 52444 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 760 52444 '15N chemical shifts' 292 52444 '1H chemical shifts' 292 52444 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2024-08-24 2024-05-06 update BMRB 'update entry citation' 52444 1 . . 2024-08-03 2024-05-06 original author 'original release' 52444 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52444 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39088556 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A Transient, Excited Species of the Autoinhibited a-State of the Bacterial Transcription Factor RfaH May Represent an Early Intermediate on the Fold-Switching Pathway ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 63 _Citation.Journal_issue 16 _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 2030 _Citation.Page_last 2039 _Citation.Year 2024 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mengli Cai M. . . . 52444 1 2 Nipanshu Agarwal N. . . . 52444 1 3 Daniel Garrett D. S. . . 52444 1 4 James Baber J. . . . 52444 1 5 'G Marius' Clore G. M. . . 52444 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52444 _Assembly.ID 1 _Assembly.Name RfaH _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RfaH 1 $entity_1 . . yes native no no . . . 52444 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52444 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQSWYLLYCKRGQLQRAQEH LERQAVNCLAPMITLEKIVR GKRTAVSEPLFPNYLFVEFD PEVIHTTTINATRGVSHFVR FGASPAIVPSAVIHQLSVYK PKDIVDPATPYPGDKVIITE GAFEGFQAIFTEPDGEARSM LLLNLINKEIKHSVKNTEFR KL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 162 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 . 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 . 52444 1 2 . GLN . 52444 1 3 . SER . 52444 1 4 . TRP . 52444 1 5 . TYR . 52444 1 6 . LEU . 52444 1 7 . LEU . 52444 1 8 . TYR . 52444 1 9 . CYS . 52444 1 10 . LYS . 52444 1 11 . ARG . 52444 1 12 . GLY . 52444 1 13 . GLN . 52444 1 14 . LEU . 52444 1 15 . GLN . 52444 1 16 . ARG . 52444 1 17 . ALA . 52444 1 18 . GLN . 52444 1 19 . GLU . 52444 1 20 . HIS . 52444 1 21 . LEU . 52444 1 22 . GLU . 52444 1 23 . ARG . 52444 1 24 . GLN . 52444 1 25 . ALA . 52444 1 26 . VAL . 52444 1 27 . ASN . 52444 1 28 . CYS . 52444 1 29 . LEU . 52444 1 30 . ALA . 52444 1 31 . PRO . 52444 1 32 . MET . 52444 1 33 . ILE . 52444 1 34 . THR . 52444 1 35 . LEU . 52444 1 36 . GLU . 52444 1 37 . LYS . 52444 1 38 . ILE . 52444 1 39 . VAL . 52444 1 40 . ARG . 52444 1 41 . GLY . 52444 1 42 . LYS . 52444 1 43 . ARG . 52444 1 44 . THR . 52444 1 45 . ALA . 52444 1 46 . VAL . 52444 1 47 . SER . 52444 1 48 . GLU . 52444 1 49 . PRO . 52444 1 50 . LEU . 52444 1 51 . PHE . 52444 1 52 . PRO . 52444 1 53 . ASN . 52444 1 54 . TYR . 52444 1 55 . LEU . 52444 1 56 . PHE . 52444 1 57 . VAL . 52444 1 58 . GLU . 52444 1 59 . PHE . 52444 1 60 . ASP . 52444 1 61 . PRO . 52444 1 62 . GLU . 52444 1 63 . VAL . 52444 1 64 . ILE . 52444 1 65 . HIS . 52444 1 66 . THR . 52444 1 67 . THR . 52444 1 68 . THR . 52444 1 69 . ILE . 52444 1 70 . ASN . 52444 1 71 . ALA . 52444 1 72 . THR . 52444 1 73 . ARG . 52444 1 74 . GLY . 52444 1 75 . VAL . 52444 1 76 . SER . 52444 1 77 . HIS . 52444 1 78 . PHE . 52444 1 79 . VAL . 52444 1 80 . ARG . 52444 1 81 . PHE . 52444 1 82 . GLY . 52444 1 83 . ALA . 52444 1 84 . SER . 52444 1 85 . PRO . 52444 1 86 . ALA . 52444 1 87 . ILE . 52444 1 88 . VAL . 52444 1 89 . PRO . 52444 1 90 . SER . 52444 1 91 . ALA . 52444 1 92 . VAL . 52444 1 93 . ILE . 52444 1 94 . HIS . 52444 1 95 . GLN . 52444 1 96 . LEU . 52444 1 97 . SER . 52444 1 98 . VAL . 52444 1 99 . TYR . 52444 1 100 . LYS . 52444 1 101 . PRO . 52444 1 102 . LYS . 52444 1 103 . ASP . 52444 1 104 . ILE . 52444 1 105 . VAL . 52444 1 106 . ASP . 52444 1 107 . PRO . 52444 1 108 . ALA . 52444 1 109 . THR . 52444 1 110 . PRO . 52444 1 111 . TYR . 52444 1 112 . PRO . 52444 1 113 . GLY . 52444 1 114 . ASP . 52444 1 115 . LYS . 52444 1 116 . VAL . 52444 1 117 . ILE . 52444 1 118 . ILE . 52444 1 119 . THR . 52444 1 120 . GLU . 52444 1 121 . GLY . 52444 1 122 . ALA . 52444 1 123 . PHE . 52444 1 124 . GLU . 52444 1 125 . GLY . 52444 1 126 . PHE . 52444 1 127 . GLN . 52444 1 128 . ALA . 52444 1 129 . ILE . 52444 1 130 . PHE . 52444 1 131 . THR . 52444 1 132 . GLU . 52444 1 133 . PRO . 52444 1 134 . ASP . 52444 1 135 . GLY . 52444 1 136 . GLU . 52444 1 137 . ALA . 52444 1 138 . ARG . 52444 1 139 . SER . 52444 1 140 . MET . 52444 1 141 . LEU . 52444 1 142 . LEU . 52444 1 143 . LEU . 52444 1 144 . ASN . 52444 1 145 . LEU . 52444 1 146 . ILE . 52444 1 147 . ASN . 52444 1 148 . LYS . 52444 1 149 . GLU . 52444 1 150 . ILE . 52444 1 151 . LYS . 52444 1 152 . HIS . 52444 1 153 . SER . 52444 1 154 . VAL . 52444 1 155 . LYS . 52444 1 156 . ASN . 52444 1 157 . THR . 52444 1 158 . GLU . 52444 1 159 . PHE . 52444 1 160 . ARG . 52444 1 161 . LYS . 52444 1 162 . LEU . 52444 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 52444 1 . GLN 2 2 52444 1 . SER 3 3 52444 1 . TRP 4 4 52444 1 . TYR 5 5 52444 1 . LEU 6 6 52444 1 . LEU 7 7 52444 1 . TYR 8 8 52444 1 . CYS 9 9 52444 1 . LYS 10 10 52444 1 . ARG 11 11 52444 1 . GLY 12 12 52444 1 . GLN 13 13 52444 1 . LEU 14 14 52444 1 . GLN 15 15 52444 1 . ARG 16 16 52444 1 . ALA 17 17 52444 1 . GLN 18 18 52444 1 . GLU 19 19 52444 1 . HIS 20 20 52444 1 . LEU 21 21 52444 1 . GLU 22 22 52444 1 . ARG 23 23 52444 1 . GLN 24 24 52444 1 . ALA 25 25 52444 1 . VAL 26 26 52444 1 . ASN 27 27 52444 1 . CYS 28 28 52444 1 . LEU 29 29 52444 1 . ALA 30 30 52444 1 . PRO 31 31 52444 1 . MET 32 32 52444 1 . ILE 33 33 52444 1 . THR 34 34 52444 1 . LEU 35 35 52444 1 . GLU 36 36 52444 1 . LYS 37 37 52444 1 . ILE 38 38 52444 1 . VAL 39 39 52444 1 . ARG 40 40 52444 1 . GLY 41 41 52444 1 . LYS 42 42 52444 1 . ARG 43 43 52444 1 . THR 44 44 52444 1 . ALA 45 45 52444 1 . VAL 46 46 52444 1 . SER 47 47 52444 1 . GLU 48 48 52444 1 . PRO 49 49 52444 1 . LEU 50 50 52444 1 . PHE 51 51 52444 1 . PRO 52 52 52444 1 . ASN 53 53 52444 1 . TYR 54 54 52444 1 . LEU 55 55 52444 1 . PHE 56 56 52444 1 . VAL 57 57 52444 1 . GLU 58 58 52444 1 . PHE 59 59 52444 1 . ASP 60 60 52444 1 . PRO 61 61 52444 1 . GLU 62 62 52444 1 . VAL 63 63 52444 1 . ILE 64 64 52444 1 . HIS 65 65 52444 1 . THR 66 66 52444 1 . THR 67 67 52444 1 . THR 68 68 52444 1 . ILE 69 69 52444 1 . ASN 70 70 52444 1 . ALA 71 71 52444 1 . THR 72 72 52444 1 . ARG 73 73 52444 1 . GLY 74 74 52444 1 . VAL 75 75 52444 1 . SER 76 76 52444 1 . HIS 77 77 52444 1 . PHE 78 78 52444 1 . VAL 79 79 52444 1 . ARG 80 80 52444 1 . PHE 81 81 52444 1 . GLY 82 82 52444 1 . ALA 83 83 52444 1 . SER 84 84 52444 1 . PRO 85 85 52444 1 . ALA 86 86 52444 1 . ILE 87 87 52444 1 . VAL 88 88 52444 1 . PRO 89 89 52444 1 . SER 90 90 52444 1 . ALA 91 91 52444 1 . VAL 92 92 52444 1 . ILE 93 93 52444 1 . HIS 94 94 52444 1 . GLN 95 95 52444 1 . LEU 96 96 52444 1 . SER 97 97 52444 1 . VAL 98 98 52444 1 . TYR 99 99 52444 1 . LYS 100 100 52444 1 . PRO 101 101 52444 1 . LYS 102 102 52444 1 . ASP 103 103 52444 1 . ILE 104 104 52444 1 . VAL 105 105 52444 1 . ASP 106 106 52444 1 . PRO 107 107 52444 1 . ALA 108 108 52444 1 . THR 109 109 52444 1 . PRO 110 110 52444 1 . TYR 111 111 52444 1 . PRO 112 112 52444 1 . GLY 113 113 52444 1 . ASP 114 114 52444 1 . LYS 115 115 52444 1 . VAL 116 116 52444 1 . ILE 117 117 52444 1 . ILE 118 118 52444 1 . THR 119 119 52444 1 . GLU 120 120 52444 1 . GLY 121 121 52444 1 . ALA 122 122 52444 1 . PHE 123 123 52444 1 . GLU 124 124 52444 1 . GLY 125 125 52444 1 . PHE 126 126 52444 1 . GLN 127 127 52444 1 . ALA 128 128 52444 1 . ILE 129 129 52444 1 . PHE 130 130 52444 1 . THR 131 131 52444 1 . GLU 132 132 52444 1 . PRO 133 133 52444 1 . ASP 134 134 52444 1 . GLY 135 135 52444 1 . GLU 136 136 52444 1 . ALA 137 137 52444 1 . ARG 138 138 52444 1 . SER 139 139 52444 1 . MET 140 140 52444 1 . LEU 141 141 52444 1 . LEU 142 142 52444 1 . LEU 143 143 52444 1 . ASN 144 144 52444 1 . LEU 145 145 52444 1 . ILE 146 146 52444 1 . ASN 147 147 52444 1 . LYS 148 148 52444 1 . GLU 149 149 52444 1 . ILE 150 150 52444 1 . LYS 151 151 52444 1 . HIS 152 152 52444 1 . SER 153 153 52444 1 . VAL 154 154 52444 1 . LYS 155 155 52444 1 . ASN 156 156 52444 1 . THR 157 157 52444 1 . GLU 158 158 52444 1 . PHE 159 159 52444 1 . ARG 160 160 52444 1 . LYS 161 161 52444 1 . LEU 162 162 52444 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52444 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 52444 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52444 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . plasmid . . 'pET 11a' . . . 52444 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52444 _Sample.ID 1 _Sample.Name RfaH _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RfaH '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 0.35 0.2 0.5 mM . . . . 52444 1 2 'Sodium Phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52444 1 3 'Deuterated Glycerol' 'natural abundance' . . . . . . 5 . . % . . . . 52444 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 52444 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 52444 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52444 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Low Pressure' _Sample_condition_list.Details '50mM Sodium Phosphate, 5% Deuterated Glycerol, 1mM TCEP, 1mM EDTA' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 52444 1 pH 6.5 . pH 52444 1 pressure 1 . atm 52444 1 temperature 289 . K 52444 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 52444 _Sample_condition_list.ID 2 _Sample_condition_list.Name 'HIgh Pressure' _Sample_condition_list.Details '50mM Sodium Phosphate, 5% Deuterated Glycerol, 1mM TCEP, 1mM EDTA' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 52444 2 pH 6.5 . pH 52444 2 pressure 2468 . atm 52444 2 temperature 289 . K 52444 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52444 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52444 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52444 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52444 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52444 _Software.ID 3 _Software.Type . _Software.Name Xipp _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52444 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52444 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'aV 600' _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_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52444 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'Low Pressure' 52444 1 2 '3D CBCACONH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'Low Pressure' 52444 1 3 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'Low Pressure' 52444 1 4 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'Low Pressure' 52444 1 5 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'High Pressure' 52444 1 6 '3D CBCACONH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'High Pressure' 52444 1 7 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'High Pressure' 52444 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52444 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Condition 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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52444 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52444 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52444 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52444 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'RfaH_Low Pressure' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 52444 1 2 '3D CBCACONH' . . . 52444 1 3 '3D HNCO' . . . 52444 1 4 '3D HNCACB' . . . 52444 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 . . 52444 1 2 $software_2 . . 52444 1 3 $software_3 . . 52444 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET C C 13 172.3160 0.1 . 1 . . . . . 1 MET C . 52444 1 2 . 1 . 1 1 1 MET CA C 13 54.7286 0.1 . 1 . . . . . 1 MET CA . 52444 1 3 . 1 . 1 1 1 MET CB C 13 32.2529 0.1 . 1 . . . . . 1 MET CB . 52444 1 4 . 1 . 1 2 2 GLN H H 1 8.9679 0.02 . 1 . . . . . 2 GLN HN . 52444 1 5 . 1 . 1 2 2 GLN C C 13 175.3409 0.1 . 1 . . . . . 2 GLN C . 52444 1 6 . 1 . 1 2 2 GLN CA C 13 56.0643 0.1 . 1 . . . . . 2 GLN CA . 52444 1 7 . 1 . 1 2 2 GLN CB C 13 28.6520 0.1 . 1 . . . . . 2 GLN CB . 52444 1 8 . 1 . 1 2 2 GLN N N 15 123.8193 0.1 . 1 . . . . . 2 GLN N . 52444 1 9 . 1 . 1 3 3 SER H H 1 8.2127 0.02 . 1 . . . . . 3 SER HN . 52444 1 10 . 1 . 1 3 3 SER C C 13 169.8507 0.1 . 1 . . . . . 3 SER C . 52444 1 11 . 1 . 1 3 3 SER CA C 13 57.3458 0.1 . 1 . . . . . 3 SER CA . 52444 1 12 . 1 . 1 3 3 SER CB C 13 66.4754 0.1 . 1 . . . . . 3 SER CB . 52444 1 13 . 1 . 1 3 3 SER N N 15 120.3031 0.1 . 1 . . . . . 3 SER N . 52444 1 14 . 1 . 1 4 4 TRP H H 1 8.4146 0.02 . 1 . . . . . 4 TRP HN . 52444 1 15 . 1 . 1 4 4 TRP C C 13 174.8345 0.1 . 1 . . . . . 4 TRP C . 52444 1 16 . 1 . 1 4 4 TRP CA C 13 56.9544 0.1 . 1 . . . . . 4 TRP CA . 52444 1 17 . 1 . 1 4 4 TRP CB C 13 30.3024 0.1 . 1 . . . . . 4 TRP CB . 52444 1 18 . 1 . 1 4 4 TRP N N 15 120.0040 0.1 . 1 . . . . . 4 TRP N . 52444 1 19 . 1 . 1 5 5 TYR H H 1 10.0496 0.02 . 1 . . . . . 5 TYR HN . 52444 1 20 . 1 . 1 5 5 TYR C C 13 174.3048 0.1 . 1 . . . . . 5 TYR C . 52444 1 21 . 1 . 1 5 5 TYR CA C 13 56.4267 0.1 . 1 . . . . . 5 TYR CA . 52444 1 22 . 1 . 1 5 5 TYR CB C 13 41.6371 0.1 . 1 . . . . . 5 TYR CB . 52444 1 23 . 1 . 1 5 5 TYR N N 15 120.3385 0.1 . 1 . . . . . 5 TYR N . 52444 1 24 . 1 . 1 6 6 LEU H H 1 10.0807 0.02 . 1 . . . . . 6 LEU HN . 52444 1 25 . 1 . 1 6 6 LEU C C 13 173.5871 0.1 . 1 . . . . . 6 LEU C . 52444 1 26 . 1 . 1 6 6 LEU CA C 13 53.7741 0.1 . 1 . . . . . 6 LEU CA . 52444 1 27 . 1 . 1 6 6 LEU CB C 13 45.0949 0.1 . 1 . . . . . 6 LEU CB . 52444 1 28 . 1 . 1 6 6 LEU N N 15 123.3173 0.1 . 1 . . . . . 6 LEU N . 52444 1 29 . 1 . 1 7 7 LEU H H 1 9.1152 0.02 . 1 . . . . . 7 LEU HN . 52444 1 30 . 1 . 1 7 7 LEU C C 13 175.0819 0.1 . 1 . . . . . 7 LEU C . 52444 1 31 . 1 . 1 7 7 LEU CA C 13 52.1120 0.1 . 1 . . . . . 7 LEU CA . 52444 1 32 . 1 . 1 7 7 LEU CB C 13 43.4407 0.1 . 1 . . . . . 7 LEU CB . 52444 1 33 . 1 . 1 7 7 LEU N N 15 124.0319 0.1 . 1 . . . . . 7 LEU N . 52444 1 34 . 1 . 1 8 8 TYR H H 1 8.7480 0.02 . 1 . . . . . 8 TYR HN . 52444 1 35 . 1 . 1 8 8 TYR C C 13 175.7676 0.1 . 1 . . . . . 8 TYR C . 52444 1 36 . 1 . 1 8 8 TYR CA C 13 56.2160 0.1 . 1 . . . . . 8 TYR CA . 52444 1 37 . 1 . 1 8 8 TYR CB C 13 39.1265 0.1 . 1 . . . . . 8 TYR CB . 52444 1 38 . 1 . 1 8 8 TYR N N 15 121.5912 0.1 . 1 . . . . . 8 TYR N . 52444 1 39 . 1 . 1 9 9 CYS H H 1 8.3595 0.02 . 1 . . . . . 9 CYS HN . 52444 1 40 . 1 . 1 9 9 CYS C C 13 172.2171 0.1 . 1 . . . . . 9 CYS C . 52444 1 41 . 1 . 1 9 9 CYS CA C 13 58.7738 0.1 . 1 . . . . . 9 CYS CA . 52444 1 42 . 1 . 1 9 9 CYS CB C 13 28.4808 0.1 . 1 . . . . . 9 CYS CB . 52444 1 43 . 1 . 1 9 9 CYS N N 15 125.9239 0.1 . 1 . . . . . 9 CYS N . 52444 1 44 . 1 . 1 10 10 LYS H H 1 8.0420 0.02 . 1 . . . . . 10 LYS HN . 52444 1 45 . 1 . 1 10 10 LYS C C 13 177.3749 0.1 . 1 . . . . . 10 LYS C . 52444 1 46 . 1 . 1 10 10 LYS CA C 13 55.9603 0.1 . 1 . . . . . 10 LYS CA . 52444 1 47 . 1 . 1 10 10 LYS CB C 13 31.9661 0.1 . 1 . . . . . 10 LYS CB . 52444 1 48 . 1 . 1 10 10 LYS N N 15 118.4292 0.1 . 1 . . . . . 10 LYS N . 52444 1 49 . 1 . 1 11 11 ARG H H 1 8.3780 0.02 . 1 . . . . . 11 ARG HN . 52444 1 50 . 1 . 1 11 11 ARG C C 13 177.9388 0.1 . 1 . . . . . 11 ARG C . 52444 1 51 . 1 . 1 11 11 ARG CA C 13 57.9401 0.1 . 1 . . . . . 11 ARG CA . 52444 1 52 . 1 . 1 11 11 ARG CB C 13 28.8680 0.1 . 1 . . . . . 11 ARG CB . 52444 1 53 . 1 . 1 11 11 ARG N N 15 124.0062 0.1 . 1 . . . . . 11 ARG N . 52444 1 54 . 1 . 1 12 12 GLY H H 1 8.7161 0.02 . 1 . . . . . 12 GLY HN . 52444 1 55 . 1 . 1 12 12 GLY C C 13 175.9445 0.1 . 1 . . . . . 12 GLY C . 52444 1 56 . 1 . 1 12 12 GLY CA C 13 45.4261 0.1 . 1 . . . . . 12 GLY CA . 52444 1 57 . 1 . 1 12 12 GLY N N 15 113.8863 0.1 . 1 . . . . . 12 GLY N . 52444 1 58 . 1 . 1 13 13 GLN H H 1 8.1255 0.02 . 1 . . . . . 13 GLN HN . 52444 1 59 . 1 . 1 13 13 GLN C C 13 175.4314 0.1 . 1 . . . . . 13 GLN C . 52444 1 60 . 1 . 1 13 13 GLN CA C 13 54.9128 0.1 . 1 . . . . . 13 GLN CA . 52444 1 61 . 1 . 1 13 13 GLN CB C 13 28.9493 0.1 . 1 . . . . . 13 GLN CB . 52444 1 62 . 1 . 1 13 13 GLN N N 15 116.4181 0.1 . 1 . . . . . 13 GLN N . 52444 1 63 . 1 . 1 14 14 LEU H H 1 7.8224 0.02 . 1 . . . . . 14 LEU HN . 52444 1 64 . 1 . 1 14 14 LEU C C 13 177.9039 0.1 . 1 . . . . . 14 LEU C . 52444 1 65 . 1 . 1 14 14 LEU CA C 13 59.7650 0.1 . 1 . . . . . 14 LEU CA . 52444 1 66 . 1 . 1 14 14 LEU CB C 13 40.9381 0.1 . 1 . . . . . 14 LEU CB . 52444 1 67 . 1 . 1 14 14 LEU N N 15 122.9083 0.1 . 1 . . . . . 14 LEU N . 52444 1 68 . 1 . 1 15 15 GLN H H 1 8.5443 0.02 . 1 . . . . . 15 GLN HN . 52444 1 69 . 1 . 1 15 15 GLN C C 13 178.5617 0.1 . 1 . . . . . 15 GLN C . 52444 1 70 . 1 . 1 15 15 GLN CA C 13 59.1149 0.1 . 1 . . . . . 15 GLN CA . 52444 1 71 . 1 . 1 15 15 GLN CB C 13 26.6228 0.1 . 1 . . . . . 15 GLN CB . 52444 1 72 . 1 . 1 15 15 GLN N N 15 116.6623 0.1 . 1 . . . . . 15 GLN N . 52444 1 73 . 1 . 1 16 16 ARG H H 1 7.5630 0.02 . 1 . . . . . 16 ARG HN . 52444 1 74 . 1 . 1 16 16 ARG C C 13 178.8325 0.1 . 1 . . . . . 16 ARG C . 52444 1 75 . 1 . 1 16 16 ARG CA C 13 58.0035 0.1 . 1 . . . . . 16 ARG CA . 52444 1 76 . 1 . 1 16 16 ARG CB C 13 29.0179 0.1 . 1 . . . . . 16 ARG CB . 52444 1 77 . 1 . 1 16 16 ARG N N 15 119.4249 0.1 . 1 . . . . . 16 ARG N . 52444 1 78 . 1 . 1 17 17 ALA H H 1 8.1668 0.02 . 1 . . . . . 17 ALA HN . 52444 1 79 . 1 . 1 17 17 ALA C C 13 179.1415 0.1 . 1 . . . . . 17 ALA C . 52444 1 80 . 1 . 1 17 17 ALA CA C 13 55.0101 0.1 . 1 . . . . . 17 ALA CA . 52444 1 81 . 1 . 1 17 17 ALA CB C 13 17.2929 0.1 . 1 . . . . . 17 ALA CB . 52444 1 82 . 1 . 1 17 17 ALA N N 15 124.1053 0.1 . 1 . . . . . 17 ALA N . 52444 1 83 . 1 . 1 18 18 GLN H H 1 8.8705 0.02 . 1 . . . . . 18 GLN HN . 52444 1 84 . 1 . 1 18 18 GLN C C 13 177.8131 0.1 . 1 . . . . . 18 GLN C . 52444 1 85 . 1 . 1 18 18 GLN CA C 13 59.1057 0.1 . 1 . . . . . 18 GLN CA . 52444 1 86 . 1 . 1 18 18 GLN CB C 13 26.8839 0.1 . 1 . . . . . 18 GLN CB . 52444 1 87 . 1 . 1 18 18 GLN N N 15 117.6272 0.1 . 1 . . . . . 18 GLN N . 52444 1 88 . 1 . 1 19 19 GLU H H 1 8.1506 0.02 . 1 . . . . . 19 GLU HN . 52444 1 89 . 1 . 1 19 19 GLU C C 13 179.6007 0.1 . 1 . . . . . 19 GLU C . 52444 1 90 . 1 . 1 19 19 GLU CA C 13 59.0047 0.1 . 1 . . . . . 19 GLU CA . 52444 1 91 . 1 . 1 19 19 GLU CB C 13 28.5115 0.1 . 1 . . . . . 19 GLU CB . 52444 1 92 . 1 . 1 19 19 GLU N N 15 117.6840 0.1 . 1 . . . . . 19 GLU N . 52444 1 93 . 1 . 1 20 20 HIS H H 1 7.9267 0.02 . 1 . . . . . 20 HIS HN . 52444 1 94 . 1 . 1 20 20 HIS C C 13 178.8308 0.1 . 1 . . . . . 20 HIS C . 52444 1 95 . 1 . 1 20 20 HIS CA C 13 59.4381 0.1 . 1 . . . . . 20 HIS CA . 52444 1 96 . 1 . 1 20 20 HIS CB C 13 29.5922 0.1 . 1 . . . . . 20 HIS CB . 52444 1 97 . 1 . 1 20 20 HIS N N 15 116.7870 0.1 . 1 . . . . . 20 HIS N . 52444 1 98 . 1 . 1 21 21 LEU H H 1 8.8004 0.02 . 1 . . . . . 21 LEU HN . 52444 1 99 . 1 . 1 21 21 LEU C C 13 179.7199 0.1 . 1 . . . . . 21 LEU C . 52444 1 100 . 1 . 1 21 21 LEU CA C 13 57.8682 0.1 . 1 . . . . . 21 LEU CA . 52444 1 101 . 1 . 1 21 21 LEU CB C 13 39.7198 0.1 . 1 . . . . . 21 LEU CB . 52444 1 102 . 1 . 1 21 21 LEU N N 15 122.1417 0.1 . 1 . . . . . 21 LEU N . 52444 1 103 . 1 . 1 22 22 GLU H H 1 9.0704 0.02 . 1 . . . . . 22 GLU HN . 52444 1 104 . 1 . 1 22 22 GLU C C 13 181.5013 0.1 . 1 . . . . . 22 GLU C . 52444 1 105 . 1 . 1 22 22 GLU CA C 13 59.3161 0.1 . 1 . . . . . 22 GLU CA . 52444 1 106 . 1 . 1 22 22 GLU CB C 13 27.9733 0.1 . 1 . . . . . 22 GLU CB . 52444 1 107 . 1 . 1 22 22 GLU N N 15 121.3022 0.1 . 1 . . . . . 22 GLU N . 52444 1 108 . 1 . 1 23 23 ARG H H 1 7.5630 0.02 . 1 . . . . . 23 ARG HN . 52444 1 109 . 1 . 1 23 23 ARG C C 13 177.3962 0.1 . 1 . . . . . 23 ARG C . 52444 1 110 . 1 . 1 23 23 ARG CA C 13 58.1376 0.1 . 1 . . . . . 23 ARG CA . 52444 1 111 . 1 . 1 23 23 ARG CB C 13 29.2461 0.1 . 1 . . . . . 23 ARG CB . 52444 1 112 . 1 . 1 23 23 ARG N N 15 118.7641 0.1 . 1 . . . . . 23 ARG N . 52444 1 113 . 1 . 1 24 24 GLN H H 1 7.4423 0.02 . 1 . . . . . 24 GLN HN . 52444 1 114 . 1 . 1 24 24 GLN C C 13 173.9562 0.1 . 1 . . . . . 24 GLN C . 52444 1 115 . 1 . 1 24 24 GLN CA C 13 54.7107 0.1 . 1 . . . . . 24 GLN CA . 52444 1 116 . 1 . 1 24 24 GLN CB C 13 29.0739 0.1 . 1 . . . . . 24 GLN CB . 52444 1 117 . 1 . 1 24 24 GLN N N 15 117.6826 0.1 . 1 . . . . . 24 GLN N . 52444 1 118 . 1 . 1 25 25 ALA H H 1 7.8429 0.02 . 1 . . . . . 25 ALA HN . 52444 1 119 . 1 . 1 25 25 ALA C C 13 175.9731 0.1 . 1 . . . . . 25 ALA C . 52444 1 120 . 1 . 1 25 25 ALA CA C 13 52.8436 0.1 . 1 . . . . . 25 ALA CA . 52444 1 121 . 1 . 1 25 25 ALA CB C 13 15.2172 0.1 . 1 . . . . . 25 ALA CB . 52444 1 122 . 1 . 1 25 25 ALA N N 15 116.7200 0.1 . 1 . . . . . 25 ALA N . 52444 1 123 . 1 . 1 26 26 VAL H H 1 7.5657 0.02 . 1 . . . . . 26 VAL HN . 52444 1 124 . 1 . 1 26 26 VAL C C 13 175.5117 0.1 . 1 . . . . . 26 VAL C . 52444 1 125 . 1 . 1 26 26 VAL CA C 13 61.6170 0.1 . 1 . . . . . 26 VAL CA . 52444 1 126 . 1 . 1 26 26 VAL CB C 13 31.3686 0.1 . 1 . . . . . 26 VAL CB . 52444 1 127 . 1 . 1 26 26 VAL N N 15 120.4848 0.1 . 1 . . . . . 26 VAL N . 52444 1 128 . 1 . 1 27 27 ASN H H 1 7.7546 0.02 . 1 . . . . . 27 ASN HN . 52444 1 129 . 1 . 1 27 27 ASN C C 13 174.3552 0.1 . 1 . . . . . 27 ASN C . 52444 1 130 . 1 . 1 27 27 ASN CA C 13 52.7518 0.1 . 1 . . . . . 27 ASN CA . 52444 1 131 . 1 . 1 27 27 ASN CB C 13 38.5303 0.1 . 1 . . . . . 27 ASN CB . 52444 1 132 . 1 . 1 27 27 ASN N N 15 124.6600 0.1 . 1 . . . . . 27 ASN N . 52444 1 133 . 1 . 1 28 28 CYS H H 1 8.8752 0.02 . 1 . . . . . 28 CYS HN . 52444 1 134 . 1 . 1 28 28 CYS C C 13 174.6288 0.1 . 1 . . . . . 28 CYS C . 52444 1 135 . 1 . 1 28 28 CYS CA C 13 57.5428 0.1 . 1 . . . . . 28 CYS CA . 52444 1 136 . 1 . 1 28 28 CYS CB C 13 31.7162 0.1 . 1 . . . . . 28 CYS CB . 52444 1 137 . 1 . 1 28 28 CYS N N 15 119.4267 0.1 . 1 . . . . . 28 CYS N . 52444 1 138 . 1 . 1 29 29 LEU H H 1 9.4706 0.02 . 1 . . . . . 29 LEU HN . 52444 1 139 . 1 . 1 29 29 LEU C C 13 174.3008 0.1 . 1 . . . . . 29 LEU C . 52444 1 140 . 1 . 1 29 29 LEU CA C 13 55.0701 0.1 . 1 . . . . . 29 LEU CA . 52444 1 141 . 1 . 1 29 29 LEU CB C 13 45.6113 0.1 . 1 . . . . . 29 LEU CB . 52444 1 142 . 1 . 1 29 29 LEU N N 15 123.7647 0.1 . 1 . . . . . 29 LEU N . 52444 1 143 . 1 . 1 30 30 ALA H H 1 9.1104 0.02 . 1 . . . . . 30 ALA HN . 52444 1 144 . 1 . 1 30 30 ALA CA C 13 48.8638 0.1 . 1 . . . . . 30 ALA CA . 52444 1 145 . 1 . 1 30 30 ALA CB C 13 18.4093 0.1 . 1 . . . . . 30 ALA CB . 52444 1 146 . 1 . 1 30 30 ALA N N 15 128.9631 0.1 . 1 . . . . . 30 ALA N . 52444 1 147 . 1 . 1 31 31 PRO C C 13 176.3226 0.1 . 1 . . . . . 31 PRO C . 52444 1 148 . 1 . 1 31 31 PRO CA C 13 62.5473 0.1 . 1 . . . . . 31 PRO CA . 52444 1 149 . 1 . 1 31 31 PRO CB C 13 31.6867 0.1 . 1 . . . . . 31 PRO CB . 52444 1 150 . 1 . 1 32 32 MET H H 1 8.7834 0.02 . 1 . . . . . 32 MET HN . 52444 1 151 . 1 . 1 32 32 MET C C 13 174.5963 0.1 . 1 . . . . . 32 MET C . 52444 1 152 . 1 . 1 32 32 MET CA C 13 53.1202 0.1 . 1 . . . . . 32 MET CA . 52444 1 153 . 1 . 1 32 32 MET CB C 13 33.6640 0.1 . 1 . . . . . 32 MET CB . 52444 1 154 . 1 . 1 32 32 MET N N 15 121.4156 0.1 . 1 . . . . . 32 MET N . 52444 1 155 . 1 . 1 33 33 ILE H H 1 9.2998 0.02 . 1 . . . . . 33 ILE HN . 52444 1 156 . 1 . 1 33 33 ILE C C 13 172.5219 0.1 . 1 . . . . . 33 ILE C . 52444 1 157 . 1 . 1 33 33 ILE CA C 13 59.2274 0.1 . 1 . . . . . 33 ILE CA . 52444 1 158 . 1 . 1 33 33 ILE CB C 13 41.3761 0.1 . 1 . . . . . 33 ILE CB . 52444 1 159 . 1 . 1 33 33 ILE N N 15 120.2447 0.1 . 1 . . . . . 33 ILE N . 52444 1 160 . 1 . 1 34 34 THR H H 1 8.1703 0.02 . 1 . . . . . 34 THR HN . 52444 1 161 . 1 . 1 34 34 THR C C 13 173.4469 0.1 . 1 . . . . . 34 THR C . 52444 1 162 . 1 . 1 34 34 THR CA C 13 61.0782 0.1 . 1 . . . . . 34 THR CA . 52444 1 163 . 1 . 1 34 34 THR CB C 13 69.0649 0.1 . 1 . . . . . 34 THR CB . 52444 1 164 . 1 . 1 34 34 THR N N 15 121.8888 0.1 . 1 . . . . . 34 THR N . 52444 1 165 . 1 . 1 35 35 LEU H H 1 8.9525 0.02 . 1 . . . . . 35 LEU HN . 52444 1 166 . 1 . 1 35 35 LEU C C 13 174.9711 0.1 . 1 . . . . . 35 LEU C . 52444 1 167 . 1 . 1 35 35 LEU CA C 13 53.0100 0.1 . 1 . . . . . 35 LEU CA . 52444 1 168 . 1 . 1 35 35 LEU CB C 13 44.2078 0.1 . 1 . . . . . 35 LEU CB . 52444 1 169 . 1 . 1 35 35 LEU N N 15 127.4218 0.1 . 1 . . . . . 35 LEU N . 52444 1 170 . 1 . 1 36 36 GLU H H 1 8.5188 0.02 . 1 . . . . . 36 GLU HN . 52444 1 171 . 1 . 1 36 36 GLU C C 13 175.9007 0.1 . 1 . . . . . 36 GLU C . 52444 1 172 . 1 . 1 36 36 GLU CA C 13 55.3563 0.1 . 1 . . . . . 36 GLU CA . 52444 1 173 . 1 . 1 36 36 GLU CB C 13 29.9178 0.1 . 1 . . . . . 36 GLU CB . 52444 1 174 . 1 . 1 36 36 GLU N N 15 120.3632 0.1 . 1 . . . . . 36 GLU N . 52444 1 175 . 1 . 1 37 37 LYS H H 1 8.8785 0.02 . 1 . . . . . 37 LYS HN . 52444 1 176 . 1 . 1 37 37 LYS C C 13 174.6302 0.1 . 1 . . . . . 37 LYS C . 52444 1 177 . 1 . 1 37 37 LYS CA C 13 54.1454 0.1 . 1 . . . . . 37 LYS CA . 52444 1 178 . 1 . 1 37 37 LYS CB C 13 35.5969 0.1 . 1 . . . . . 37 LYS CB . 52444 1 179 . 1 . 1 37 37 LYS N N 15 124.7289 0.1 . 1 . . . . . 37 LYS N . 52444 1 180 . 1 . 1 38 38 ILE H H 1 8.6488 0.02 . 1 . . . . . 38 ILE HN . 52444 1 181 . 1 . 1 38 38 ILE C C 13 176.1573 0.1 . 1 . . . . . 38 ILE C . 52444 1 182 . 1 . 1 38 38 ILE CA C 13 60.0056 0.1 . 1 . . . . . 38 ILE CA . 52444 1 183 . 1 . 1 38 38 ILE CB C 13 35.0916 0.1 . 1 . . . . . 38 ILE CB . 52444 1 184 . 1 . 1 38 38 ILE N N 15 121.7167 0.1 . 1 . . . . . 38 ILE N . 52444 1 185 . 1 . 1 39 39 VAL H H 1 8.6679 0.02 . 1 . . . . . 39 VAL HN . 52444 1 186 . 1 . 1 39 39 VAL C C 13 176.0187 0.1 . 1 . . . . . 39 VAL C . 52444 1 187 . 1 . 1 39 39 VAL CA C 13 61.3729 0.1 . 1 . . . . . 39 VAL CA . 52444 1 188 . 1 . 1 39 39 VAL CB C 13 33.0641 0.1 . 1 . . . . . 39 VAL CB . 52444 1 189 . 1 . 1 39 39 VAL N N 15 129.6892 0.1 . 1 . . . . . 39 VAL N . 52444 1 190 . 1 . 1 40 40 ARG H H 1 9.6594 0.02 . 1 . . . . . 40 ARG HN . 52444 1 191 . 1 . 1 40 40 ARG C C 13 176.7273 0.1 . 1 . . . . . 40 ARG C . 52444 1 192 . 1 . 1 40 40 ARG CA C 13 56.8222 0.1 . 1 . . . . . 40 ARG CA . 52444 1 193 . 1 . 1 40 40 ARG CB C 13 26.9537 0.1 . 1 . . . . . 40 ARG CB . 52444 1 194 . 1 . 1 40 40 ARG N N 15 128.5146 0.1 . 1 . . . . . 40 ARG N . 52444 1 195 . 1 . 1 41 41 GLY H H 1 8.2039 0.02 . 1 . . . . . 41 GLY HN . 52444 1 196 . 1 . 1 41 41 GLY C C 13 173.6562 0.1 . 1 . . . . . 41 GLY C . 52444 1 197 . 1 . 1 41 41 GLY CA C 13 44.9949 0.1 . 1 . . . . . 41 GLY CA . 52444 1 198 . 1 . 1 41 41 GLY N N 15 102.1044 0.1 . 1 . . . . . 41 GLY N . 52444 1 199 . 1 . 1 42 42 LYS H H 1 7.7712 0.02 . 1 . . . . . 42 LYS HN . 52444 1 200 . 1 . 1 42 42 LYS C C 13 176.1673 0.1 . 1 . . . . . 42 LYS C . 52444 1 201 . 1 . 1 42 42 LYS CA C 13 54.0390 0.1 . 1 . . . . . 42 LYS CA . 52444 1 202 . 1 . 1 42 42 LYS CB C 13 34.0909 0.1 . 1 . . . . . 42 LYS CB . 52444 1 203 . 1 . 1 42 42 LYS N N 15 120.7186 0.1 . 1 . . . . . 42 LYS N . 52444 1 204 . 1 . 1 43 43 ARG H H 1 8.9995 0.02 . 1 . . . . . 43 ARG HN . 52444 1 205 . 1 . 1 43 43 ARG C C 13 175.9110 0.1 . 1 . . . . . 43 ARG C . 52444 1 206 . 1 . 1 43 43 ARG CA C 13 57.2344 0.1 . 1 . . . . . 43 ARG CA . 52444 1 207 . 1 . 1 43 43 ARG CB C 13 28.9758 0.1 . 1 . . . . . 43 ARG CB . 52444 1 208 . 1 . 1 43 43 ARG N N 15 127.7293 0.1 . 1 . . . . . 43 ARG N . 52444 1 209 . 1 . 1 44 44 THR H H 1 9.1936 0.02 . 1 . . . . . 44 THR HN . 52444 1 210 . 1 . 1 44 44 THR C C 13 171.5356 0.1 . 1 . . . . . 44 THR C . 52444 1 211 . 1 . 1 44 44 THR CA C 13 61.1906 0.1 . 1 . . . . . 44 THR CA . 52444 1 212 . 1 . 1 44 44 THR CB C 13 71.5450 0.1 . 1 . . . . . 44 THR CB . 52444 1 213 . 1 . 1 44 44 THR N N 15 123.6127 0.1 . 1 . . . . . 44 THR N . 52444 1 214 . 1 . 1 45 45 ALA H H 1 8.5062 0.02 . 1 . . . . . 45 ALA HN . 52444 1 215 . 1 . 1 45 45 ALA C C 13 176.7236 0.1 . 1 . . . . . 45 ALA C . 52444 1 216 . 1 . 1 45 45 ALA CA C 13 51.3323 0.1 . 1 . . . . . 45 ALA CA . 52444 1 217 . 1 . 1 45 45 ALA CB C 13 17.9682 0.1 . 1 . . . . . 45 ALA CB . 52444 1 218 . 1 . 1 45 45 ALA N N 15 128.2312 0.1 . 1 . . . . . 45 ALA N . 52444 1 219 . 1 . 1 46 46 VAL H H 1 9.0990 0.02 . 1 . . . . . 46 VAL HN . 52444 1 220 . 1 . 1 46 46 VAL C C 13 174.3526 0.1 . 1 . . . . . 46 VAL C . 52444 1 221 . 1 . 1 46 46 VAL CA C 13 60.4764 0.1 . 1 . . . . . 46 VAL CA . 52444 1 222 . 1 . 1 46 46 VAL CB C 13 34.1526 0.1 . 1 . . . . . 46 VAL CB . 52444 1 223 . 1 . 1 46 46 VAL N N 15 123.6562 0.1 . 1 . . . . . 46 VAL N . 52444 1 224 . 1 . 1 47 47 SER H H 1 8.5230 0.02 . 1 . . . . . 47 SER HN . 52444 1 225 . 1 . 1 47 47 SER C C 13 173.9789 0.1 . 1 . . . . . 47 SER C . 52444 1 226 . 1 . 1 47 47 SER CA C 13 56.4169 0.1 . 1 . . . . . 47 SER CA . 52444 1 227 . 1 . 1 47 47 SER CB C 13 63.3051 0.1 . 1 . . . . . 47 SER CB . 52444 1 228 . 1 . 1 47 47 SER N N 15 119.7945 0.1 . 1 . . . . . 47 SER N . 52444 1 229 . 1 . 1 48 48 GLU H H 1 9.2399 0.02 . 1 . . . . . 48 GLU HN . 52444 1 230 . 1 . 1 48 48 GLU CA C 13 52.7678 0.1 . 1 . . . . . 48 GLU CA . 52444 1 231 . 1 . 1 48 48 GLU CB C 13 30.3295 0.1 . 1 . . . . . 48 GLU CB . 52444 1 232 . 1 . 1 48 48 GLU N N 15 124.2049 0.1 . 1 . . . . . 48 GLU N . 52444 1 233 . 1 . 1 49 49 PRO C C 13 177.5184 0.1 . 1 . . . . . 49 PRO C . 52444 1 234 . 1 . 1 49 49 PRO CA C 13 63.0100 0.1 . 1 . . . . . 49 PRO CA . 52444 1 235 . 1 . 1 49 49 PRO CB C 13 31.0665 0.1 . 1 . . . . . 49 PRO CB . 52444 1 236 . 1 . 1 50 50 LEU H H 1 8.6865 0.02 . 1 . . . . . 50 LEU HN . 52444 1 237 . 1 . 1 50 50 LEU C C 13 176.5130 0.1 . 1 . . . . . 50 LEU C . 52444 1 238 . 1 . 1 50 50 LEU CA C 13 57.4164 0.1 . 1 . . . . . 50 LEU CA . 52444 1 239 . 1 . 1 50 50 LEU CB C 13 41.2706 0.1 . 1 . . . . . 50 LEU CB . 52444 1 240 . 1 . 1 50 50 LEU N N 15 127.0182 0.1 . 1 . . . . . 50 LEU N . 52444 1 241 . 1 . 1 51 51 PHE H H 1 8.9056 0.02 . 1 . . . . . 51 PHE HN . 52444 1 242 . 1 . 1 51 51 PHE CA C 13 51.5843 0.1 . 1 . . . . . 51 PHE CA . 52444 1 243 . 1 . 1 51 51 PHE CB C 13 37.8106 0.1 . 1 . . . . . 51 PHE CB . 52444 1 244 . 1 . 1 51 51 PHE N N 15 115.2229 0.1 . 1 . . . . . 51 PHE N . 52444 1 245 . 1 . 1 52 52 PRO C C 13 176.9946 0.1 . 1 . . . . . 52 PRO C . 52444 1 246 . 1 . 1 52 52 PRO CA C 13 64.2407 0.1 . 1 . . . . . 52 PRO CA . 52444 1 247 . 1 . 1 52 52 PRO CB C 13 30.5772 0.1 . 1 . . . . . 52 PRO CB . 52444 1 248 . 1 . 1 53 53 ASN H H 1 9.1130 0.02 . 1 . . . . . 53 ASN HN . 52444 1 249 . 1 . 1 53 53 ASN C C 13 172.1168 0.1 . 1 . . . . . 53 ASN C . 52444 1 250 . 1 . 1 53 53 ASN CA C 13 55.9261 0.1 . 1 . . . . . 53 ASN CA . 52444 1 251 . 1 . 1 53 53 ASN CB C 13 37.1085 0.1 . 1 . . . . . 53 ASN CB . 52444 1 252 . 1 . 1 53 53 ASN N N 15 113.4118 0.1 . 1 . . . . . 53 ASN N . 52444 1 253 . 1 . 1 54 54 TYR H H 1 7.8420 0.02 . 1 . . . . . 54 TYR HN . 52444 1 254 . 1 . 1 54 54 TYR C C 13 174.7537 0.1 . 1 . . . . . 54 TYR C . 52444 1 255 . 1 . 1 54 54 TYR CA C 13 58.1605 0.1 . 1 . . . . . 54 TYR CA . 52444 1 256 . 1 . 1 54 54 TYR CB C 13 38.9500 0.1 . 1 . . . . . 54 TYR CB . 52444 1 257 . 1 . 1 54 54 TYR N N 15 118.0031 0.1 . 1 . . . . . 54 TYR N . 52444 1 258 . 1 . 1 55 55 LEU H H 1 9.1135 0.02 . 1 . . . . . 55 LEU HN . 52444 1 259 . 1 . 1 55 55 LEU C C 13 175.5135 0.1 . 1 . . . . . 55 LEU C . 52444 1 260 . 1 . 1 55 55 LEU CA C 13 53.1465 0.1 . 1 . . . . . 55 LEU CA . 52444 1 261 . 1 . 1 55 55 LEU CB C 13 46.9127 0.1 . 1 . . . . . 55 LEU CB . 52444 1 262 . 1 . 1 55 55 LEU N N 15 122.8989 0.1 . 1 . . . . . 55 LEU N . 52444 1 263 . 1 . 1 56 56 PHE H H 1 8.7901 0.02 . 1 . . . . . 56 PHE HN . 52444 1 264 . 1 . 1 56 56 PHE C C 13 176.7183 0.1 . 1 . . . . . 56 PHE C . 52444 1 265 . 1 . 1 56 56 PHE CA C 13 57.6928 0.1 . 1 . . . . . 56 PHE CA . 52444 1 266 . 1 . 1 56 56 PHE CB C 13 39.0221 0.1 . 1 . . . . . 56 PHE CB . 52444 1 267 . 1 . 1 56 56 PHE N N 15 125.7675 0.1 . 1 . . . . . 56 PHE N . 52444 1 268 . 1 . 1 57 57 VAL H H 1 9.2183 0.02 . 1 . . . . . 57 VAL HN . 52444 1 269 . 1 . 1 57 57 VAL C C 13 173.0200 0.1 . 1 . . . . . 57 VAL C . 52444 1 270 . 1 . 1 57 57 VAL CA C 13 58.4132 0.1 . 1 . . . . . 57 VAL CA . 52444 1 271 . 1 . 1 57 57 VAL CB C 13 35.0857 0.1 . 1 . . . . . 57 VAL CB . 52444 1 272 . 1 . 1 57 57 VAL N N 15 115.3653 0.1 . 1 . . . . . 57 VAL N . 52444 1 273 . 1 . 1 58 58 GLU H H 1 8.8306 0.02 . 1 . . . . . 58 GLU HN . 52444 1 274 . 1 . 1 58 58 GLU C C 13 176.0107 0.1 . 1 . . . . . 58 GLU C . 52444 1 275 . 1 . 1 58 58 GLU CA C 13 52.6875 0.1 . 1 . . . . . 58 GLU CA . 52444 1 276 . 1 . 1 58 58 GLU CB C 13 29.7182 0.1 . 1 . . . . . 58 GLU CB . 52444 1 277 . 1 . 1 58 58 GLU N N 15 125.9613 0.1 . 1 . . . . . 58 GLU N . 52444 1 278 . 1 . 1 59 59 PHE H H 1 8.6086 0.02 . 1 . . . . . 59 PHE HN . 52444 1 279 . 1 . 1 59 59 PHE C C 13 171.6354 0.1 . 1 . . . . . 59 PHE C . 52444 1 280 . 1 . 1 59 59 PHE CA C 13 55.9991 0.1 . 1 . . . . . 59 PHE CA . 52444 1 281 . 1 . 1 59 59 PHE CB C 13 39.4876 0.1 . 1 . . . . . 59 PHE CB . 52444 1 282 . 1 . 1 59 59 PHE N N 15 121.0343 0.1 . 1 . . . . . 59 PHE N . 52444 1 283 . 1 . 1 60 60 ASP H H 1 8.8412 0.02 . 1 . . . . . 60 ASP HN . 52444 1 284 . 1 . 1 60 60 ASP CA C 13 49.0696 0.1 . 1 . . . . . 60 ASP CA . 52444 1 285 . 1 . 1 60 60 ASP CB C 13 41.9081 0.1 . 1 . . . . . 60 ASP CB . 52444 1 286 . 1 . 1 60 60 ASP N N 15 119.9810 0.1 . 1 . . . . . 60 ASP N . 52444 1 287 . 1 . 1 61 61 PRO C C 13 177.9664 0.1 . 1 . . . . . 61 PRO C . 52444 1 288 . 1 . 1 61 61 PRO CA C 13 63.0943 0.1 . 1 . . . . . 61 PRO CA . 52444 1 289 . 1 . 1 61 61 PRO CB C 13 31.2664 0.1 . 1 . . . . . 61 PRO CB . 52444 1 290 . 1 . 1 62 62 GLU H H 1 8.4879 0.02 . 1 . . . . . 62 GLU HN . 52444 1 291 . 1 . 1 62 62 GLU C C 13 176.8223 0.1 . 1 . . . . . 62 GLU C . 52444 1 292 . 1 . 1 62 62 GLU CA C 13 56.6343 0.1 . 1 . . . . . 62 GLU CA . 52444 1 293 . 1 . 1 62 62 GLU CB C 13 28.6869 0.1 . 1 . . . . . 62 GLU CB . 52444 1 294 . 1 . 1 62 62 GLU N N 15 117.0218 0.1 . 1 . . . . . 62 GLU N . 52444 1 295 . 1 . 1 63 63 VAL H H 1 8.1435 0.02 . 1 . . . . . 63 VAL HN . 52444 1 296 . 1 . 1 63 63 VAL CA C 13 60.5739 0.1 . 1 . . . . . 63 VAL CA . 52444 1 297 . 1 . 1 63 63 VAL N N 15 120.9721 0.1 . 1 . . . . . 63 VAL N . 52444 1 298 . 1 . 1 64 64 ILE H H 1 8.2085 0.02 . 1 . . . . . 64 ILE HN . 52444 1 299 . 1 . 1 64 64 ILE C C 13 172.6600 0.1 . 1 . . . . . 64 ILE C . 52444 1 300 . 1 . 1 64 64 ILE CA C 13 59.4164 0.1 . 1 . . . . . 64 ILE CA . 52444 1 301 . 1 . 1 64 64 ILE CB C 13 38.7763 0.1 . 1 . . . . . 64 ILE CB . 52444 1 302 . 1 . 1 64 64 ILE N N 15 134.9833 0.1 . 1 . . . . . 64 ILE N . 52444 1 303 . 1 . 1 65 65 HIS H H 1 8.1508 0.02 . 1 . . . . . 65 HIS HN . 52444 1 304 . 1 . 1 65 65 HIS C C 13 178.1333 0.1 . 1 . . . . . 65 HIS C . 52444 1 305 . 1 . 1 65 65 HIS CA C 13 55.1726 0.1 . 1 . . . . . 65 HIS CA . 52444 1 306 . 1 . 1 65 65 HIS CB C 13 29.1549 0.1 . 1 . . . . . 65 HIS CB . 52444 1 307 . 1 . 1 65 65 HIS N N 15 120.3798 0.1 . 1 . . . . . 65 HIS N . 52444 1 308 . 1 . 1 66 66 THR H H 1 9.0064 0.02 . 1 . . . . . 66 THR HN . 52444 1 309 . 1 . 1 66 66 THR C C 13 177.3713 0.1 . 1 . . . . . 66 THR C . 52444 1 310 . 1 . 1 66 66 THR CA C 13 65.9977 0.1 . 1 . . . . . 66 THR CA . 52444 1 311 . 1 . 1 66 66 THR CB C 13 67.0398 0.1 . 1 . . . . . 66 THR CB . 52444 1 312 . 1 . 1 66 66 THR N N 15 116.1009 0.1 . 1 . . . . . 66 THR N . 52444 1 313 . 1 . 1 67 67 THR H H 1 8.2411 0.02 . 1 . . . . . 67 THR HN . 52444 1 314 . 1 . 1 67 67 THR C C 13 177.0612 0.1 . 1 . . . . . 67 THR C . 52444 1 315 . 1 . 1 67 67 THR CA C 13 64.5327 0.1 . 1 . . . . . 67 THR CA . 52444 1 316 . 1 . 1 67 67 THR CB C 13 67.6806 0.1 . 1 . . . . . 67 THR CB . 52444 1 317 . 1 . 1 67 67 THR N N 15 112.9264 0.1 . 1 . . . . . 67 THR N . 52444 1 318 . 1 . 1 68 68 THR H H 1 7.2905 0.02 . 1 . . . . . 68 THR HN . 52444 1 319 . 1 . 1 68 68 THR C C 13 176.8583 0.1 . 1 . . . . . 68 THR C . 52444 1 320 . 1 . 1 68 68 THR CA C 13 65.1368 0.1 . 1 . . . . . 68 THR CA . 52444 1 321 . 1 . 1 68 68 THR CB C 13 67.6895 0.1 . 1 . . . . . 68 THR CB . 52444 1 322 . 1 . 1 68 68 THR N N 15 120.5884 0.1 . 1 . . . . . 68 THR N . 52444 1 323 . 1 . 1 69 69 ILE H H 1 7.2931 0.02 . 1 . . . . . 69 ILE HN . 52444 1 324 . 1 . 1 69 69 ILE C C 13 178.8979 0.1 . 1 . . . . . 69 ILE C . 52444 1 325 . 1 . 1 69 69 ILE CA C 13 62.3432 0.1 . 1 . . . . . 69 ILE CA . 52444 1 326 . 1 . 1 69 69 ILE CB C 13 34.2967 0.1 . 1 . . . . . 69 ILE CB . 52444 1 327 . 1 . 1 69 69 ILE N N 15 121.7335 0.1 . 1 . . . . . 69 ILE N . 52444 1 328 . 1 . 1 70 70 ASN H H 1 8.3687 0.02 . 1 . . . . . 70 ASN HN . 52444 1 329 . 1 . 1 70 70 ASN C C 13 175.0826 0.1 . 1 . . . . . 70 ASN C . 52444 1 330 . 1 . 1 70 70 ASN CA C 13 54.5977 0.1 . 1 . . . . . 70 ASN CA . 52444 1 331 . 1 . 1 70 70 ASN CB C 13 39.1861 0.1 . 1 . . . . . 70 ASN CB . 52444 1 332 . 1 . 1 70 70 ASN N N 15 116.5561 0.1 . 1 . . . . . 70 ASN N . 52444 1 333 . 1 . 1 71 71 ALA H H 1 7.1688 0.02 . 1 . . . . . 71 ALA HN . 52444 1 334 . 1 . 1 71 71 ALA C C 13 177.2469 0.1 . 1 . . . . . 71 ALA C . 52444 1 335 . 1 . 1 71 71 ALA CA C 13 51.5692 0.1 . 1 . . . . . 71 ALA CA . 52444 1 336 . 1 . 1 71 71 ALA CB C 13 17.8360 0.1 . 1 . . . . . 71 ALA CB . 52444 1 337 . 1 . 1 71 71 ALA N N 15 116.7929 0.1 . 1 . . . . . 71 ALA N . 52444 1 338 . 1 . 1 72 72 THR H H 1 7.3212 0.02 . 1 . . . . . 72 THR HN . 52444 1 339 . 1 . 1 72 72 THR C C 13 173.9250 0.1 . 1 . . . . . 72 THR C . 52444 1 340 . 1 . 1 72 72 THR CA C 13 64.1113 0.1 . 1 . . . . . 72 THR CA . 52444 1 341 . 1 . 1 72 72 THR CB C 13 68.5493 0.1 . 1 . . . . . 72 THR CB . 52444 1 342 . 1 . 1 72 72 THR N N 15 118.4879 0.1 . 1 . . . . . 72 THR N . 52444 1 343 . 1 . 1 73 73 ARG H H 1 8.6410 0.02 . 1 . . . . . 73 ARG HN . 52444 1 344 . 1 . 1 73 73 ARG C C 13 175.3569 0.1 . 1 . . . . . 73 ARG C . 52444 1 345 . 1 . 1 73 73 ARG CA C 13 57.6779 0.1 . 1 . . . . . 73 ARG CA . 52444 1 346 . 1 . 1 73 73 ARG CB C 13 28.4352 0.1 . 1 . . . . . 73 ARG CB . 52444 1 347 . 1 . 1 73 73 ARG N N 15 129.3125 0.1 . 1 . . . . . 73 ARG N . 52444 1 348 . 1 . 1 74 74 GLY H H 1 8.4680 0.02 . 1 . . . . . 74 GLY HN . 52444 1 349 . 1 . 1 74 74 GLY C C 13 173.8793 0.1 . 1 . . . . . 74 GLY C . 52444 1 350 . 1 . 1 74 74 GLY CA C 13 44.7008 0.1 . 1 . . . . . 74 GLY CA . 52444 1 351 . 1 . 1 74 74 GLY N N 15 109.4151 0.1 . 1 . . . . . 74 GLY N . 52444 1 352 . 1 . 1 75 75 VAL H H 1 7.7420 0.02 . 1 . . . . . 75 VAL HN . 52444 1 353 . 1 . 1 75 75 VAL C C 13 175.7657 0.1 . 1 . . . . . 75 VAL C . 52444 1 354 . 1 . 1 75 75 VAL CA C 13 63.5563 0.1 . 1 . . . . . 75 VAL CA . 52444 1 355 . 1 . 1 75 75 VAL CB C 13 31.4930 0.1 . 1 . . . . . 75 VAL CB . 52444 1 356 . 1 . 1 75 75 VAL N N 15 121.1565 0.1 . 1 . . . . . 75 VAL N . 52444 1 357 . 1 . 1 76 76 SER H H 1 8.9328 0.02 . 1 . . . . . 76 SER HN . 52444 1 358 . 1 . 1 76 76 SER C C 13 174.9110 0.1 . 1 . . . . . 76 SER C . 52444 1 359 . 1 . 1 76 76 SER CA C 13 58.9112 0.1 . 1 . . . . . 76 SER CA . 52444 1 360 . 1 . 1 76 76 SER CB C 13 62.1459 0.1 . 1 . . . . . 76 SER CB . 52444 1 361 . 1 . 1 76 76 SER N N 15 119.8262 0.1 . 1 . . . . . 76 SER N . 52444 1 362 . 1 . 1 77 77 HIS H H 1 7.7496 0.02 . 1 . . . . . 77 HIS HN . 52444 1 363 . 1 . 1 77 77 HIS C C 13 173.7892 0.1 . 1 . . . . . 77 HIS C . 52444 1 364 . 1 . 1 77 77 HIS CA C 13 55.5834 0.1 . 1 . . . . . 77 HIS CA . 52444 1 365 . 1 . 1 77 77 HIS CB C 13 30.7963 0.1 . 1 . . . . . 77 HIS CB . 52444 1 366 . 1 . 1 77 77 HIS N N 15 110.5564 0.1 . 1 . . . . . 77 HIS N . 52444 1 367 . 1 . 1 78 78 PHE H H 1 8.9229 0.02 . 1 . . . . . 78 PHE HN . 52444 1 368 . 1 . 1 78 78 PHE C C 13 177.7288 0.1 . 1 . . . . . 78 PHE C . 52444 1 369 . 1 . 1 78 78 PHE CA C 13 57.9687 0.1 . 1 . . . . . 78 PHE CA . 52444 1 370 . 1 . 1 78 78 PHE CB C 13 39.5443 0.1 . 1 . . . . . 78 PHE CB . 52444 1 371 . 1 . 1 78 78 PHE N N 15 116.6547 0.1 . 1 . . . . . 78 PHE N . 52444 1 372 . 1 . 1 79 79 VAL H H 1 9.2250 0.02 . 1 . . . . . 79 VAL HN . 52444 1 373 . 1 . 1 79 79 VAL C C 13 176.2077 0.1 . 1 . . . . . 79 VAL C . 52444 1 374 . 1 . 1 79 79 VAL CA C 13 64.0178 0.1 . 1 . . . . . 79 VAL CA . 52444 1 375 . 1 . 1 79 79 VAL CB C 13 30.8485 0.1 . 1 . . . . . 79 VAL CB . 52444 1 376 . 1 . 1 79 79 VAL N N 15 122.8793 0.1 . 1 . . . . . 79 VAL N . 52444 1 377 . 1 . 1 80 80 ARG H H 1 8.7046 0.02 . 1 . . . . . 80 ARG HN . 52444 1 378 . 1 . 1 80 80 ARG C C 13 174.8406 0.1 . 1 . . . . . 80 ARG C . 52444 1 379 . 1 . 1 80 80 ARG CA C 13 55.5497 0.1 . 1 . . . . . 80 ARG CA . 52444 1 380 . 1 . 1 80 80 ARG CB C 13 32.8580 0.1 . 1 . . . . . 80 ARG CB . 52444 1 381 . 1 . 1 80 80 ARG N N 15 128.1996 0.1 . 1 . . . . . 80 ARG N . 52444 1 382 . 1 . 1 81 81 PHE H H 1 8.7238 0.02 . 1 . . . . . 81 PHE HN . 52444 1 383 . 1 . 1 81 81 PHE C C 13 175.9107 0.1 . 1 . . . . . 81 PHE C . 52444 1 384 . 1 . 1 81 81 PHE CA C 13 57.2636 0.1 . 1 . . . . . 81 PHE CA . 52444 1 385 . 1 . 1 81 81 PHE CB C 13 38.9844 0.1 . 1 . . . . . 81 PHE CB . 52444 1 386 . 1 . 1 81 81 PHE N N 15 121.5458 0.1 . 1 . . . . . 81 PHE N . 52444 1 387 . 1 . 1 82 82 GLY H H 1 8.4000 0.02 . 1 . . . . . 82 GLY HN . 52444 1 388 . 1 . 1 82 82 GLY C C 13 174.0700 0.1 . 1 . . . . . 82 GLY C . 52444 1 389 . 1 . 1 82 82 GLY CA C 13 45.1568 0.1 . 1 . . . . . 82 GLY CA . 52444 1 390 . 1 . 1 82 82 GLY N N 15 114.1821 0.1 . 1 . . . . . 82 GLY N . 52444 1 391 . 1 . 1 83 83 ALA H H 1 8.7773 0.02 . 1 . . . . . 83 ALA HN . 52444 1 392 . 1 . 1 83 83 ALA C C 13 178.1902 0.1 . 1 . . . . . 83 ALA C . 52444 1 393 . 1 . 1 83 83 ALA CA C 13 53.0891 0.1 . 1 . . . . . 83 ALA CA . 52444 1 394 . 1 . 1 83 83 ALA CB C 13 18.5508 0.1 . 1 . . . . . 83 ALA CB . 52444 1 395 . 1 . 1 83 83 ALA N N 15 126.2488 0.1 . 1 . . . . . 83 ALA N . 52444 1 396 . 1 . 1 84 84 SER H H 1 7.7882 0.02 . 1 . . . . . 84 SER HN . 52444 1 397 . 1 . 1 84 84 SER CA C 13 56.3847 0.1 . 1 . . . . . 84 SER CA . 52444 1 398 . 1 . 1 84 84 SER CB C 13 63.1997 0.1 . 1 . . . . . 84 SER CB . 52444 1 399 . 1 . 1 84 84 SER N N 15 113.3357 0.1 . 1 . . . . . 84 SER N . 52444 1 400 . 1 . 1 85 85 PRO C C 13 175.8331 0.1 . 1 . . . . . 85 PRO C . 52444 1 401 . 1 . 1 85 85 PRO CA C 13 62.5919 0.1 . 1 . . . . . 85 PRO CA . 52444 1 402 . 1 . 1 85 85 PRO CB C 13 33.2756 0.1 . 1 . . . . . 85 PRO CB . 52444 1 403 . 1 . 1 86 86 ALA H H 1 8.5847 0.02 . 1 . . . . . 86 ALA HN . 52444 1 404 . 1 . 1 86 86 ALA CA C 13 52.0224 0.1 . 1 . . . . . 86 ALA CA . 52444 1 405 . 1 . 1 86 86 ALA CB C 13 18.1302 0.1 . 1 . . . . . 86 ALA CB . 52444 1 406 . 1 . 1 86 86 ALA N N 15 123.9832 0.1 . 1 . . . . . 86 ALA N . 52444 1 407 . 1 . 1 87 87 ILE H H 1 8.0873 0.02 . 1 . . . . . 87 ILE HN . 52444 1 408 . 1 . 1 87 87 ILE C C 13 177.0230 0.1 . 1 . . . . . 87 ILE C . 52444 1 409 . 1 . 1 87 87 ILE CA C 13 59.4797 0.1 . 1 . . . . . 87 ILE CA . 52444 1 410 . 1 . 1 87 87 ILE CB C 13 36.9822 0.1 . 1 . . . . . 87 ILE CB . 52444 1 411 . 1 . 1 87 87 ILE N N 15 123.1867 0.1 . 1 . . . . . 87 ILE N . 52444 1 412 . 1 . 1 88 88 VAL H H 1 8.9360 0.02 . 1 . . . . . 88 VAL HN . 52444 1 413 . 1 . 1 88 88 VAL CA C 13 60.0534 0.1 . 1 . . . . . 88 VAL CA . 52444 1 414 . 1 . 1 88 88 VAL CB C 13 31.4585 0.1 . 1 . . . . . 88 VAL CB . 52444 1 415 . 1 . 1 88 88 VAL N N 15 130.3954 0.1 . 1 . . . . . 88 VAL N . 52444 1 416 . 1 . 1 90 90 SER C C 13 176.4778 0.1 . 1 . . . . . 90 SER C . 52444 1 417 . 1 . 1 90 90 SER CA C 13 61.5946 0.1 . 1 . . . . . 90 SER CA . 52444 1 418 . 1 . 1 90 90 SER CB C 13 61.8835 0.1 . 1 . . . . . 90 SER CB . 52444 1 419 . 1 . 1 91 91 ALA H H 1 8.9626 0.02 . 1 . . . . . 91 ALA HN . 52444 1 420 . 1 . 1 91 91 ALA C C 13 180.5247 0.1 . 1 . . . . . 91 ALA C . 52444 1 421 . 1 . 1 91 91 ALA CA C 13 54.7156 0.1 . 1 . . . . . 91 ALA CA . 52444 1 422 . 1 . 1 91 91 ALA CB C 13 18.1090 0.1 . 1 . . . . . 91 ALA CB . 52444 1 423 . 1 . 1 91 91 ALA N N 15 121.7554 0.1 . 1 . . . . . 91 ALA N . 52444 1 424 . 1 . 1 92 92 VAL H H 1 7.2391 0.02 . 1 . . . . . 92 VAL HN . 52444 1 425 . 1 . 1 92 92 VAL C C 13 176.3979 0.1 . 1 . . . . . 92 VAL C . 52444 1 426 . 1 . 1 92 92 VAL CA C 13 65.2956 0.1 . 1 . . . . . 92 VAL CA . 52444 1 427 . 1 . 1 92 92 VAL CB C 13 30.1929 0.1 . 1 . . . . . 92 VAL CB . 52444 1 428 . 1 . 1 92 92 VAL N N 15 115.8254 0.1 . 1 . . . . . 92 VAL N . 52444 1 429 . 1 . 1 93 93 ILE H H 1 6.6325 0.02 . 1 . . . . . 93 ILE HN . 52444 1 430 . 1 . 1 93 93 ILE C C 13 178.9383 0.1 . 1 . . . . . 93 ILE C . 52444 1 431 . 1 . 1 93 93 ILE CA C 13 60.8206 0.1 . 1 . . . . . 93 ILE CA . 52444 1 432 . 1 . 1 93 93 ILE CB C 13 33.8955 0.1 . 1 . . . . . 93 ILE CB . 52444 1 433 . 1 . 1 93 93 ILE N N 15 117.7523 0.1 . 1 . . . . . 93 ILE N . 52444 1 434 . 1 . 1 94 94 HIS H H 1 8.3251 0.02 . 1 . . . . . 94 HIS HN . 52444 1 435 . 1 . 1 94 94 HIS C C 13 177.4146 0.1 . 1 . . . . . 94 HIS C . 52444 1 436 . 1 . 1 94 94 HIS CA C 13 58.5353 0.1 . 1 . . . . . 94 HIS CA . 52444 1 437 . 1 . 1 94 94 HIS CB C 13 28.3627 0.1 . 1 . . . . . 94 HIS CB . 52444 1 438 . 1 . 1 94 94 HIS N N 15 117.6098 0.1 . 1 . . . . . 94 HIS N . 52444 1 439 . 1 . 1 95 95 GLN H H 1 7.4164 0.02 . 1 . . . . . 95 GLN HN . 52444 1 440 . 1 . 1 95 95 GLN C C 13 176.3611 0.1 . 1 . . . . . 95 GLN C . 52444 1 441 . 1 . 1 95 95 GLN CA C 13 56.4265 0.1 . 1 . . . . . 95 GLN CA . 52444 1 442 . 1 . 1 95 95 GLN CB C 13 29.2079 0.1 . 1 . . . . . 95 GLN CB . 52444 1 443 . 1 . 1 95 95 GLN N N 15 116.3898 0.1 . 1 . . . . . 95 GLN N . 52444 1 444 . 1 . 1 96 96 LEU H H 1 8.3133 0.02 . 1 . . . . . 96 LEU HN . 52444 1 445 . 1 . 1 96 96 LEU C C 13 177.7790 0.1 . 1 . . . . . 96 LEU C . 52444 1 446 . 1 . 1 96 96 LEU CA C 13 54.0332 0.1 . 1 . . . . . 96 LEU CA . 52444 1 447 . 1 . 1 96 96 LEU CB C 13 40.6867 0.1 . 1 . . . . . 96 LEU CB . 52444 1 448 . 1 . 1 96 96 LEU N N 15 120.7927 0.1 . 1 . . . . . 96 LEU N . 52444 1 449 . 1 . 1 97 97 SER H H 1 7.6533 0.02 . 1 . . . . . 97 SER HN . 52444 1 450 . 1 . 1 97 97 SER CA C 13 60.0382 0.1 . 1 . . . . . 97 SER CA . 52444 1 451 . 1 . 1 97 97 SER CB C 13 62.8262 0.1 . 1 . . . . . 97 SER CB . 52444 1 452 . 1 . 1 97 97 SER N N 15 112.4958 0.1 . 1 . . . . . 97 SER N . 52444 1 453 . 1 . 1 98 98 VAL H H 1 7.1752 0.02 . 1 . . . . . 98 VAL HN . 52444 1 454 . 1 . 1 98 98 VAL C C 13 175.9785 0.1 . 1 . . . . . 98 VAL C . 52444 1 455 . 1 . 1 98 98 VAL CA C 13 61.7276 0.1 . 1 . . . . . 98 VAL CA . 52444 1 456 . 1 . 1 98 98 VAL CB C 13 31.1484 0.1 . 1 . . . . . 98 VAL CB . 52444 1 457 . 1 . 1 98 98 VAL N N 15 115.0022 0.1 . 1 . . . . . 98 VAL N . 52444 1 458 . 1 . 1 99 99 TYR H H 1 7.5199 0.02 . 1 . . . . . 99 TYR HN . 52444 1 459 . 1 . 1 99 99 TYR C C 13 174.6505 0.1 . 1 . . . . . 99 TYR C . 52444 1 460 . 1 . 1 99 99 TYR CA C 13 58.5207 0.1 . 1 . . . . . 99 TYR CA . 52444 1 461 . 1 . 1 99 99 TYR CB C 13 37.4064 0.1 . 1 . . . . . 99 TYR CB . 52444 1 462 . 1 . 1 99 99 TYR N N 15 122.0869 0.1 . 1 . . . . . 99 TYR N . 52444 1 463 . 1 . 1 100 100 LYS H H 1 7.4957 0.02 . 1 . . . . . 100 LYS HN . 52444 1 464 . 1 . 1 100 100 LYS CA C 13 52.8611 0.1 . 1 . . . . . 100 LYS CA . 52444 1 465 . 1 . 1 100 100 LYS CB C 13 32.2244 0.1 . 1 . . . . . 100 LYS CB . 52444 1 466 . 1 . 1 100 100 LYS N N 15 125.3257 0.1 . 1 . . . . . 100 LYS N . 52444 1 467 . 1 . 1 101 101 PRO C C 13 174.7320 0.1 . 1 . . . . . 101 PRO C . 52444 1 468 . 1 . 1 101 101 PRO CA C 13 62.4561 0.1 . 1 . . . . . 101 PRO CA . 52444 1 469 . 1 . 1 101 101 PRO CB C 13 31.4265 0.1 . 1 . . . . . 101 PRO CB . 52444 1 470 . 1 . 1 102 102 LYS H H 1 8.2474 0.02 . 1 . . . . . 102 LYS HN . 52444 1 471 . 1 . 1 102 102 LYS C C 13 176.2781 0.1 . 1 . . . . . 102 LYS C . 52444 1 472 . 1 . 1 102 102 LYS CA C 13 56.0036 0.1 . 1 . . . . . 102 LYS CA . 52444 1 473 . 1 . 1 102 102 LYS CB C 13 31.9497 0.1 . 1 . . . . . 102 LYS CB . 52444 1 474 . 1 . 1 102 102 LYS N N 15 123.7900 0.1 . 1 . . . . . 102 LYS N . 52444 1 475 . 1 . 1 103 103 ASP H H 1 8.2514 0.02 . 1 . . . . . 103 ASP HN . 52444 1 476 . 1 . 1 103 103 ASP C C 13 175.9167 0.1 . 1 . . . . . 103 ASP C . 52444 1 477 . 1 . 1 103 103 ASP CA C 13 54.0875 0.1 . 1 . . . . . 103 ASP CA . 52444 1 478 . 1 . 1 103 103 ASP CB C 13 40.5919 0.1 . 1 . . . . . 103 ASP CB . 52444 1 479 . 1 . 1 103 103 ASP N N 15 120.7116 0.1 . 1 . . . . . 103 ASP N . 52444 1 480 . 1 . 1 104 104 ILE H H 1 7.9445 0.02 . 1 . . . . . 104 ILE HN . 52444 1 481 . 1 . 1 104 104 ILE C C 13 175.9759 0.1 . 1 . . . . . 104 ILE C . 52444 1 482 . 1 . 1 104 104 ILE CA C 13 60.7311 0.1 . 1 . . . . . 104 ILE CA . 52444 1 483 . 1 . 1 104 104 ILE CB C 13 37.6768 0.1 . 1 . . . . . 104 ILE CB . 52444 1 484 . 1 . 1 104 104 ILE N N 15 120.0657 0.1 . 1 . . . . . 104 ILE N . 52444 1 485 . 1 . 1 105 105 VAL H H 1 8.1451 0.02 . 1 . . . . . 105 VAL HN . 52444 1 486 . 1 . 1 105 105 VAL C C 13 175.4216 0.1 . 1 . . . . . 105 VAL C . 52444 1 487 . 1 . 1 105 105 VAL CA C 13 61.7000 0.1 . 1 . . . . . 105 VAL CA . 52444 1 488 . 1 . 1 105 105 VAL CB C 13 31.8089 0.1 . 1 . . . . . 105 VAL CB . 52444 1 489 . 1 . 1 105 105 VAL N N 15 123.9316 0.1 . 1 . . . . . 105 VAL N . 52444 1 490 . 1 . 1 106 106 ASP H H 1 8.3644 0.02 . 1 . . . . . 106 ASP HN . 52444 1 491 . 1 . 1 106 106 ASP CA C 13 51.5290 0.1 . 1 . . . . . 106 ASP CA . 52444 1 492 . 1 . 1 106 106 ASP CB C 13 40.8232 0.1 . 1 . . . . . 106 ASP CB . 52444 1 493 . 1 . 1 106 106 ASP N N 15 125.1722 0.1 . 1 . . . . . 106 ASP N . 52444 1 494 . 1 . 1 107 107 PRO C C 13 175.7311 0.1 . 1 . . . . . 107 PRO C . 52444 1 495 . 1 . 1 107 107 PRO CA C 13 63.6907 0.1 . 1 . . . . . 107 PRO CA . 52444 1 496 . 1 . 1 107 107 PRO CB C 13 31.5813 0.1 . 1 . . . . . 107 PRO CB . 52444 1 497 . 1 . 1 108 108 ALA H H 1 9.0354 0.02 . 1 . . . . . 108 ALA HN . 52444 1 498 . 1 . 1 108 108 ALA C C 13 177.7727 0.1 . 1 . . . . . 108 ALA C . 52444 1 499 . 1 . 1 108 108 ALA CA C 13 52.1134 0.1 . 1 . . . . . 108 ALA CA . 52444 1 500 . 1 . 1 108 108 ALA CB C 13 18.1508 0.1 . 1 . . . . . 108 ALA CB . 52444 1 501 . 1 . 1 108 108 ALA N N 15 127.7792 0.1 . 1 . . . . . 108 ALA N . 52444 1 502 . 1 . 1 109 109 THR H H 1 7.8287 0.02 . 1 . . . . . 109 THR HN . 52444 1 503 . 1 . 1 109 109 THR CA C 13 59.2919 0.1 . 1 . . . . . 109 THR CA . 52444 1 504 . 1 . 1 109 109 THR CB C 13 69.3366 0.1 . 1 . . . . . 109 THR CB . 52444 1 505 . 1 . 1 109 109 THR N N 15 115.2501 0.1 . 1 . . . . . 109 THR N . 52444 1 506 . 1 . 1 110 110 PRO C C 13 176.2865 0.1 . 1 . . . . . 110 PRO C . 52444 1 507 . 1 . 1 110 110 PRO CA C 13 62.6995 0.1 . 1 . . . . . 110 PRO CA . 52444 1 508 . 1 . 1 110 110 PRO CB C 13 31.0220 0.1 . 1 . . . . . 110 PRO CB . 52444 1 509 . 1 . 1 111 111 TYR H H 1 8.3073 0.02 . 1 . . . . . 111 TYR HN . 52444 1 510 . 1 . 1 111 111 TYR CA C 13 55.2070 0.1 . 1 . . . . . 111 TYR CA . 52444 1 511 . 1 . 1 111 111 TYR CB C 13 37.5265 0.1 . 1 . . . . . 111 TYR CB . 52444 1 512 . 1 . 1 111 111 TYR N N 15 121.8578 0.1 . 1 . . . . . 111 TYR N . 52444 1 513 . 1 . 1 112 112 PRO C C 13 177.3343 0.1 . 1 . . . . . 112 PRO C . 52444 1 514 . 1 . 1 112 112 PRO CA C 13 63.1364 0.1 . 1 . . . . . 112 PRO CA . 52444 1 515 . 1 . 1 113 113 GLY H H 1 7.8162 0.02 . 1 . . . . . 113 GLY HN . 52444 1 516 . 1 . 1 113 113 GLY C C 13 173.8017 0.1 . 1 . . . . . 113 GLY C . 52444 1 517 . 1 . 1 113 113 GLY CA C 13 44.7871 0.1 . 1 . . . . . 113 GLY CA . 52444 1 518 . 1 . 1 113 113 GLY N N 15 108.2331 0.1 . 1 . . . . . 113 GLY N . 52444 1 519 . 1 . 1 114 114 ASP H H 1 8.1696 0.02 . 1 . . . . . 114 ASP HN . 52444 1 520 . 1 . 1 114 114 ASP C C 13 176.1666 0.1 . 1 . . . . . 114 ASP C . 52444 1 521 . 1 . 1 114 114 ASP CA C 13 53.8783 0.1 . 1 . . . . . 114 ASP CA . 52444 1 522 . 1 . 1 114 114 ASP CB C 13 40.4568 0.1 . 1 . . . . . 114 ASP CB . 52444 1 523 . 1 . 1 114 114 ASP N N 15 119.8062 0.1 . 1 . . . . . 114 ASP N . 52444 1 524 . 1 . 1 115 115 LYS H H 1 8.1140 0.02 . 1 . . . . . 115 LYS HN . 52444 1 525 . 1 . 1 115 115 LYS C C 13 176.2350 0.1 . 1 . . . . . 115 LYS C . 52444 1 526 . 1 . 1 115 115 LYS CA C 13 55.7530 0.1 . 1 . . . . . 115 LYS CA . 52444 1 527 . 1 . 1 115 115 LYS CB C 13 31.8792 0.1 . 1 . . . . . 115 LYS CB . 52444 1 528 . 1 . 1 115 115 LYS N N 15 120.4288 0.1 . 1 . . . . . 115 LYS N . 52444 1 529 . 1 . 1 116 116 VAL H H 1 8.0697 0.02 . 1 . . . . . 116 VAL HN . 52444 1 530 . 1 . 1 116 116 VAL C C 13 175.7169 0.1 . 1 . . . . . 116 VAL C . 52444 1 531 . 1 . 1 116 116 VAL CA C 13 62.0759 0.1 . 1 . . . . . 116 VAL CA . 52444 1 532 . 1 . 1 116 116 VAL CB C 13 31.6514 0.1 . 1 . . . . . 116 VAL CB . 52444 1 533 . 1 . 1 116 116 VAL N N 15 121.8930 0.1 . 1 . . . . . 116 VAL N . 52444 1 534 . 1 . 1 117 117 ILE H H 1 8.2278 0.02 . 1 . . . . . 117 ILE HN . 52444 1 535 . 1 . 1 117 117 ILE C C 13 175.9301 0.1 . 1 . . . . . 117 ILE C . 52444 1 536 . 1 . 1 117 117 ILE CA C 13 60.3505 0.1 . 1 . . . . . 117 ILE CA . 52444 1 537 . 1 . 1 117 117 ILE CB C 13 37.4789 0.1 . 1 . . . . . 117 ILE CB . 52444 1 538 . 1 . 1 117 117 ILE N N 15 125.5438 0.1 . 1 . . . . . 117 ILE N . 52444 1 539 . 1 . 1 118 118 ILE H H 1 8.3123 0.02 . 1 . . . . . 118 ILE HN . 52444 1 540 . 1 . 1 118 118 ILE C C 13 176.2539 0.1 . 1 . . . . . 118 ILE C . 52444 1 541 . 1 . 1 118 118 ILE CA C 13 60.2780 0.1 . 1 . . . . . 118 ILE CA . 52444 1 542 . 1 . 1 118 118 ILE CB C 13 37.3279 0.1 . 1 . . . . . 118 ILE CB . 52444 1 543 . 1 . 1 118 118 ILE N N 15 125.8475 0.1 . 1 . . . . . 118 ILE N . 52444 1 544 . 1 . 1 119 119 THR H H 1 8.2086 0.02 . 1 . . . . . 119 THR HN . 52444 1 545 . 1 . 1 119 119 THR C C 13 174.4734 0.1 . 1 . . . . . 119 THR C . 52444 1 546 . 1 . 1 119 119 THR CA C 13 61.2579 0.1 . 1 . . . . . 119 THR CA . 52444 1 547 . 1 . 1 119 119 THR CB C 13 69.3448 0.1 . 1 . . . . . 119 THR CB . 52444 1 548 . 1 . 1 119 119 THR N N 15 117.9747 0.1 . 1 . . . . . 119 THR N . 52444 1 549 . 1 . 1 120 120 GLU H H 1 8.3832 0.02 . 1 . . . . . 120 GLU HN . 52444 1 550 . 1 . 1 120 120 GLU C C 13 177.1242 0.1 . 1 . . . . . 120 GLU C . 52444 1 551 . 1 . 1 120 120 GLU CA C 13 56.6231 0.1 . 1 . . . . . 120 GLU CA . 52444 1 552 . 1 . 1 120 120 GLU CB C 13 29.3245 0.1 . 1 . . . . . 120 GLU CB . 52444 1 553 . 1 . 1 120 120 GLU N N 15 122.9175 0.1 . 1 . . . . . 120 GLU N . 52444 1 554 . 1 . 1 121 121 GLY H H 1 8.6011 0.02 . 1 . . . . . 121 GLY HN . 52444 1 555 . 1 . 1 121 121 GLY C C 13 176.4489 0.1 . 1 . . . . . 121 GLY C . 52444 1 556 . 1 . 1 121 121 GLY CA C 13 45.2594 0.1 . 1 . . . . . 121 GLY CA . 52444 1 557 . 1 . 1 121 121 GLY N N 15 110.3217 0.1 . 1 . . . . . 121 GLY N . 52444 1 558 . 1 . 1 122 122 ALA H H 1 8.2447 0.02 . 1 . . . . . 122 ALA HN . 52444 1 559 . 1 . 1 122 122 ALA C C 13 177.7949 0.1 . 1 . . . . . 122 ALA C . 52444 1 560 . 1 . 1 122 122 ALA CA C 13 52.7819 0.1 . 1 . . . . . 122 ALA CA . 52444 1 561 . 1 . 1 122 122 ALA CB C 13 18.0678 0.1 . 1 . . . . . 122 ALA CB . 52444 1 562 . 1 . 1 122 122 ALA N N 15 123.6765 0.1 . 1 . . . . . 122 ALA N . 52444 1 563 . 1 . 1 123 123 PHE H H 1 8.2972 0.02 . 1 . . . . . 123 PHE HN . 52444 1 564 . 1 . 1 123 123 PHE C C 13 176.4711 0.1 . 1 . . . . . 123 PHE C . 52444 1 565 . 1 . 1 123 123 PHE CA C 13 58.2478 0.1 . 1 . . . . . 123 PHE CA . 52444 1 566 . 1 . 1 123 123 PHE CB C 13 38.3526 0.1 . 1 . . . . . 123 PHE CB . 52444 1 567 . 1 . 1 123 123 PHE N N 15 118.3329 0.1 . 1 . . . . . 123 PHE N . 52444 1 568 . 1 . 1 124 124 GLU H H 1 8.4988 0.02 . 1 . . . . . 124 GLU HN . 52444 1 569 . 1 . 1 124 124 GLU C C 13 177.9713 0.1 . 1 . . . . . 124 GLU C . 52444 1 570 . 1 . 1 124 124 GLU CA C 13 58.0361 0.1 . 1 . . . . . 124 GLU CA . 52444 1 571 . 1 . 1 124 124 GLU CB C 13 28.7402 0.1 . 1 . . . . . 124 GLU CB . 52444 1 572 . 1 . 1 124 124 GLU N N 15 122.5164 0.1 . 1 . . . . . 124 GLU N . 52444 1 573 . 1 . 1 125 125 GLY H H 1 8.4366 0.02 . 1 . . . . . 125 GLY HN . 52444 1 574 . 1 . 1 125 125 GLY C C 13 175.4753 0.1 . 1 . . . . . 125 GLY C . 52444 1 575 . 1 . 1 125 125 GLY CA C 13 45.5579 0.1 . 1 . . . . . 125 GLY CA . 52444 1 576 . 1 . 1 125 125 GLY N N 15 109.2290 0.1 . 1 . . . . . 125 GLY N . 52444 1 577 . 1 . 1 126 126 PHE H H 1 8.2552 0.02 . 1 . . . . . 126 PHE HN . 52444 1 578 . 1 . 1 126 126 PHE C C 13 176.9052 0.1 . 1 . . . . . 126 PHE C . 52444 1 579 . 1 . 1 126 126 PHE CA C 13 60.8063 0.1 . 1 . . . . . 126 PHE CA . 52444 1 580 . 1 . 1 126 126 PHE CB C 13 37.8114 0.1 . 1 . . . . . 126 PHE CB . 52444 1 581 . 1 . 1 126 126 PHE N N 15 120.1014 0.1 . 1 . . . . . 126 PHE N . 52444 1 582 . 1 . 1 127 127 GLN H H 1 8.4210 0.02 . 1 . . . . . 127 GLN HN . 52444 1 583 . 1 . 1 127 127 GLN C C 13 178.3236 0.1 . 1 . . . . . 127 GLN C . 52444 1 584 . 1 . 1 127 127 GLN CA C 13 58.8926 0.1 . 1 . . . . . 127 GLN CA . 52444 1 585 . 1 . 1 127 127 GLN CB C 13 26.8985 0.1 . 1 . . . . . 127 GLN CB . 52444 1 586 . 1 . 1 127 127 GLN N N 15 118.4032 0.1 . 1 . . . . . 127 GLN N . 52444 1 587 . 1 . 1 128 128 ALA H H 1 7.5951 0.02 . 1 . . . . . 128 ALA HN . 52444 1 588 . 1 . 1 128 128 ALA C C 13 179.4022 0.1 . 1 . . . . . 128 ALA C . 52444 1 589 . 1 . 1 128 128 ALA CA C 13 53.7425 0.1 . 1 . . . . . 128 ALA CA . 52444 1 590 . 1 . 1 128 128 ALA CB C 13 17.5481 0.1 . 1 . . . . . 128 ALA CB . 52444 1 591 . 1 . 1 128 128 ALA N N 15 119.6675 0.1 . 1 . . . . . 128 ALA N . 52444 1 592 . 1 . 1 129 129 ILE H H 1 7.3931 0.02 . 1 . . . . . 129 ILE HN . 52444 1 593 . 1 . 1 129 129 ILE C C 13 176.1269 0.1 . 1 . . . . . 129 ILE C . 52444 1 594 . 1 . 1 129 129 ILE CA C 13 65.5459 0.1 . 1 . . . . . 129 ILE CA . 52444 1 595 . 1 . 1 129 129 ILE CB C 13 37.0472 0.1 . 1 . . . . . 129 ILE CB . 52444 1 596 . 1 . 1 129 129 ILE N N 15 117.4198 0.1 . 1 . . . . . 129 ILE N . 52444 1 597 . 1 . 1 130 130 PHE H H 1 7.5432 0.02 . 1 . . . . . 130 PHE HN . 52444 1 598 . 1 . 1 130 130 PHE C C 13 176.1291 0.1 . 1 . . . . . 130 PHE C . 52444 1 599 . 1 . 1 130 130 PHE CA C 13 59.0073 0.1 . 1 . . . . . 130 PHE CA . 52444 1 600 . 1 . 1 130 130 PHE CB C 13 37.7562 0.1 . 1 . . . . . 130 PHE CB . 52444 1 601 . 1 . 1 130 130 PHE N N 15 111.4574 0.1 . 1 . . . . . 130 PHE N . 52444 1 602 . 1 . 1 131 131 THR H H 1 7.2731 0.02 . 1 . . . . . 131 THR HN . 52444 1 603 . 1 . 1 131 131 THR C C 13 173.5290 0.1 . 1 . . . . . 131 THR C . 52444 1 604 . 1 . 1 131 131 THR CA C 13 60.8138 0.1 . 1 . . . . . 131 THR CA . 52444 1 605 . 1 . 1 131 131 THR CB C 13 69.2075 0.1 . 1 . . . . . 131 THR CB . 52444 1 606 . 1 . 1 131 131 THR N N 15 106.1368 0.1 . 1 . . . . . 131 THR N . 52444 1 607 . 1 . 1 132 132 GLU H H 1 7.1915 0.02 . 1 . . . . . 132 GLU HN . 52444 1 608 . 1 . 1 132 132 GLU CA C 13 51.9339 0.1 . 1 . . . . . 132 GLU CA . 52444 1 609 . 1 . 1 132 132 GLU CB C 13 29.7084 0.1 . 1 . . . . . 132 GLU CB . 52444 1 610 . 1 . 1 132 132 GLU N N 15 127.6562 0.1 . 1 . . . . . 132 GLU N . 52444 1 611 . 1 . 1 133 133 PRO C C 13 176.6384 0.1 . 1 . . . . . 133 PRO C . 52444 1 612 . 1 . 1 133 133 PRO CA C 13 64.0203 0.1 . 1 . . . . . 133 PRO CA . 52444 1 613 . 1 . 1 133 133 PRO CB C 13 31.6750 0.1 . 1 . . . . . 133 PRO CB . 52444 1 614 . 1 . 1 134 134 ASP H H 1 9.6264 0.02 . 1 . . . . . 134 ASP HN . 52444 1 615 . 1 . 1 134 134 ASP C C 13 177.1247 0.1 . 1 . . . . . 134 ASP C . 52444 1 616 . 1 . 1 134 134 ASP CA C 13 53.5062 0.1 . 1 . . . . . 134 ASP CA . 52444 1 617 . 1 . 1 134 134 ASP CB C 13 42.0486 0.1 . 1 . . . . . 134 ASP CB . 52444 1 618 . 1 . 1 134 134 ASP N N 15 122.5344 0.1 . 1 . . . . . 134 ASP N . 52444 1 619 . 1 . 1 135 135 GLY H H 1 9.4618 0.02 . 1 . . . . . 135 GLY HN . 52444 1 620 . 1 . 1 135 135 GLY C C 13 175.3584 0.1 . 1 . . . . . 135 GLY C . 52444 1 621 . 1 . 1 135 135 GLY CA C 13 47.5143 0.1 . 1 . . . . . 135 GLY CA . 52444 1 622 . 1 . 1 135 135 GLY N N 15 116.4038 0.1 . 1 . . . . . 135 GLY N . 52444 1 623 . 1 . 1 136 136 GLU H H 1 8.2462 0.02 . 1 . . . . . 136 GLU HN . 52444 1 624 . 1 . 1 136 136 GLU C C 13 179.9410 0.1 . 1 . . . . . 136 GLU C . 52444 1 625 . 1 . 1 136 136 GLU CA C 13 58.9992 0.1 . 1 . . . . . 136 GLU CA . 52444 1 626 . 1 . 1 136 136 GLU CB C 13 27.5859 0.1 . 1 . . . . . 136 GLU CB . 52444 1 627 . 1 . 1 136 136 GLU N N 15 121.1479 0.1 . 1 . . . . . 136 GLU N . 52444 1 628 . 1 . 1 137 137 ALA H H 1 7.9684 0.02 . 1 . . . . . 137 ALA HN . 52444 1 629 . 1 . 1 137 137 ALA C C 13 181.2860 0.1 . 1 . . . . . 137 ALA C . 52444 1 630 . 1 . 1 137 137 ALA CA C 13 54.5596 0.1 . 1 . . . . . 137 ALA CA . 52444 1 631 . 1 . 1 137 137 ALA CB C 13 16.9996 0.1 . 1 . . . . . 137 ALA CB . 52444 1 632 . 1 . 1 137 137 ALA N N 15 123.4317 0.1 . 1 . . . . . 137 ALA N . 52444 1 633 . 1 . 1 138 138 ARG H H 1 8.5560 0.02 . 1 . . . . . 138 ARG HN . 52444 1 634 . 1 . 1 138 138 ARG CA C 13 61.8973 0.1 . 1 . . . . . 138 ARG CA . 52444 1 635 . 1 . 1 138 138 ARG CB C 13 30.1134 0.1 . 1 . . . . . 138 ARG CB . 52444 1 636 . 1 . 1 138 138 ARG N N 15 119.4613 0.1 . 1 . . . . . 138 ARG N . 52444 1 637 . 1 . 1 139 139 SER C C 13 175.3416 0.1 . 1 . . . . . 139 SER C . 52444 1 638 . 1 . 1 139 139 SER CA C 13 61.7836 0.1 . 1 . . . . . 139 SER CA . 52444 1 639 . 1 . 1 139 139 SER CB C 13 62.1367 0.1 . 1 . . . . . 139 SER CB . 52444 1 640 . 1 . 1 140 140 MET H H 1 7.7586 0.02 . 1 . . . . . 140 MET HN . 52444 1 641 . 1 . 1 140 140 MET C C 13 179.3339 0.1 . 1 . . . . . 140 MET C . 52444 1 642 . 1 . 1 140 140 MET CA C 13 58.0578 0.1 . 1 . . . . . 140 MET CA . 52444 1 643 . 1 . 1 140 140 MET CB C 13 30.9680 0.1 . 1 . . . . . 140 MET CB . 52444 1 644 . 1 . 1 140 140 MET N N 15 120.0565 0.1 . 1 . . . . . 140 MET N . 52444 1 645 . 1 . 1 141 141 LEU H H 1 7.9260 0.02 . 1 . . . . . 141 LEU HN . 52444 1 646 . 1 . 1 141 141 LEU C C 13 180.4634 0.1 . 1 . . . . . 141 LEU C . 52444 1 647 . 1 . 1 141 141 LEU CA C 13 57.6199 0.1 . 1 . . . . . 141 LEU CA . 52444 1 648 . 1 . 1 141 141 LEU CB C 13 41.2950 0.1 . 1 . . . . . 141 LEU CB . 52444 1 649 . 1 . 1 141 141 LEU N N 15 119.8101 0.1 . 1 . . . . . 141 LEU N . 52444 1 650 . 1 . 1 142 142 LEU H H 1 8.0771 0.02 . 1 . . . . . 142 LEU HN . 52444 1 651 . 1 . 1 142 142 LEU C C 13 177.8671 0.1 . 1 . . . . . 142 LEU C . 52444 1 652 . 1 . 1 142 142 LEU CA C 13 57.5644 0.1 . 1 . . . . . 142 LEU CA . 52444 1 653 . 1 . 1 142 142 LEU CB C 13 38.9622 0.1 . 1 . . . . . 142 LEU CB . 52444 1 654 . 1 . 1 142 142 LEU N N 15 121.4530 0.1 . 1 . . . . . 142 LEU N . 52444 1 655 . 1 . 1 143 143 LEU H H 1 8.1139 0.02 . 1 . . . . . 143 LEU HN . 52444 1 656 . 1 . 1 143 143 LEU C C 13 179.7148 0.1 . 1 . . . . . 143 LEU C . 52444 1 657 . 1 . 1 143 143 LEU CA C 13 57.9924 0.1 . 1 . . . . . 143 LEU CA . 52444 1 658 . 1 . 1 143 143 LEU CB C 13 39.4880 0.1 . 1 . . . . . 143 LEU CB . 52444 1 659 . 1 . 1 143 143 LEU N N 15 118.1462 0.1 . 1 . . . . . 143 LEU N . 52444 1 660 . 1 . 1 144 144 ASN H H 1 7.7093 0.02 . 1 . . . . . 144 ASN HN . 52444 1 661 . 1 . 1 144 144 ASN C C 13 177.1399 0.1 . 1 . . . . . 144 ASN C . 52444 1 662 . 1 . 1 144 144 ASN CA C 13 55.6295 0.1 . 1 . . . . . 144 ASN CA . 52444 1 663 . 1 . 1 144 144 ASN CB C 13 37.7722 0.1 . 1 . . . . . 144 ASN CB . 52444 1 664 . 1 . 1 144 144 ASN N N 15 116.4224 0.1 . 1 . . . . . 144 ASN N . 52444 1 665 . 1 . 1 145 145 LEU H H 1 7.9235 0.02 . 1 . . . . . 145 LEU HN . 52444 1 666 . 1 . 1 145 145 LEU C C 13 179.1058 0.1 . 1 . . . . . 145 LEU C . 52444 1 667 . 1 . 1 145 145 LEU CA C 13 57.9749 0.1 . 1 . . . . . 145 LEU CA . 52444 1 668 . 1 . 1 145 145 LEU CB C 13 41.0129 0.1 . 1 . . . . . 145 LEU CB . 52444 1 669 . 1 . 1 145 145 LEU N N 15 122.2474 0.1 . 1 . . . . . 145 LEU N . 52444 1 670 . 1 . 1 146 146 ILE H H 1 8.4852 0.02 . 1 . . . . . 146 ILE HN . 52444 1 671 . 1 . 1 146 146 ILE C C 13 176.7374 0.1 . 1 . . . . . 146 ILE C . 52444 1 672 . 1 . 1 146 146 ILE CA C 13 65.1018 0.1 . 1 . . . . . 146 ILE CA . 52444 1 673 . 1 . 1 146 146 ILE CB C 13 36.9383 0.1 . 1 . . . . . 146 ILE CB . 52444 1 674 . 1 . 1 146 146 ILE N N 15 116.9118 0.1 . 1 . . . . . 146 ILE N . 52444 1 675 . 1 . 1 147 147 ASN H H 1 7.7303 0.02 . 1 . . . . . 147 ASN HN . 52444 1 676 . 1 . 1 147 147 ASN C C 13 176.4625 0.1 . 1 . . . . . 147 ASN C . 52444 1 677 . 1 . 1 147 147 ASN CA C 13 55.6689 0.1 . 1 . . . . . 147 ASN CA . 52444 1 678 . 1 . 1 147 147 ASN CB C 13 38.1173 0.1 . 1 . . . . . 147 ASN CB . 52444 1 679 . 1 . 1 147 147 ASN N N 15 117.2984 0.1 . 1 . . . . . 147 ASN N . 52444 1 680 . 1 . 1 148 148 LYS H H 1 7.8638 0.02 . 1 . . . . . 148 LYS HN . 52444 1 681 . 1 . 1 148 148 LYS C C 13 178.4942 0.1 . 1 . . . . . 148 LYS C . 52444 1 682 . 1 . 1 148 148 LYS CA C 13 58.4863 0.1 . 1 . . . . . 148 LYS CA . 52444 1 683 . 1 . 1 148 148 LYS CB C 13 31.5980 0.1 . 1 . . . . . 148 LYS CB . 52444 1 684 . 1 . 1 148 148 LYS N N 15 118.6341 0.1 . 1 . . . . . 148 LYS N . 52444 1 685 . 1 . 1 149 149 GLU H H 1 8.2301 0.02 . 1 . . . . . 149 GLU HN . 52444 1 686 . 1 . 1 149 149 GLU C C 13 178.9202 0.1 . 1 . . . . . 149 GLU C . 52444 1 687 . 1 . 1 149 149 GLU CA C 13 57.4766 0.1 . 1 . . . . . 149 GLU CA . 52444 1 688 . 1 . 1 149 149 GLU CB C 13 28.7584 0.1 . 1 . . . . . 149 GLU CB . 52444 1 689 . 1 . 1 149 149 GLU N N 15 118.7551 0.1 . 1 . . . . . 149 GLU N . 52444 1 690 . 1 . 1 150 150 ILE H H 1 8.2770 0.02 . 1 . . . . . 150 ILE HN . 52444 1 691 . 1 . 1 150 150 ILE C C 13 178.1569 0.1 . 1 . . . . . 150 ILE C . 52444 1 692 . 1 . 1 150 150 ILE CA C 13 63.9123 0.1 . 1 . . . . . 150 ILE CA . 52444 1 693 . 1 . 1 150 150 ILE CB C 13 37.1172 0.1 . 1 . . . . . 150 ILE CB . 52444 1 694 . 1 . 1 150 150 ILE N N 15 121.2309 0.1 . 1 . . . . . 150 ILE N . 52444 1 695 . 1 . 1 151 151 LYS H H 1 8.0260 0.02 . 1 . . . . . 151 LYS HN . 52444 1 696 . 1 . 1 151 151 LYS C C 13 177.7570 0.1 . 1 . . . . . 151 LYS C . 52444 1 697 . 1 . 1 151 151 LYS CA C 13 57.8684 0.1 . 1 . . . . . 151 LYS CA . 52444 1 698 . 1 . 1 151 151 LYS CB C 13 31.5069 0.1 . 1 . . . . . 151 LYS CB . 52444 1 699 . 1 . 1 151 151 LYS N N 15 120.9175 0.1 . 1 . . . . . 151 LYS N . 52444 1 700 . 1 . 1 152 152 HIS H H 1 8.0617 0.02 . 1 . . . . . 152 HIS HN . 52444 1 701 . 1 . 1 152 152 HIS C C 13 175.3682 0.1 . 1 . . . . . 152 HIS C . 52444 1 702 . 1 . 1 152 152 HIS CA C 13 56.2052 0.1 . 1 . . . . . 152 HIS CA . 52444 1 703 . 1 . 1 152 152 HIS CB C 13 28.7385 0.1 . 1 . . . . . 152 HIS CB . 52444 1 704 . 1 . 1 152 152 HIS N N 15 117.2096 0.1 . 1 . . . . . 152 HIS N . 52444 1 705 . 1 . 1 153 153 SER H H 1 8.0857 0.02 . 1 . . . . . 153 SER HN . 52444 1 706 . 1 . 1 153 153 SER C C 13 174.8654 0.1 . 1 . . . . . 153 SER C . 52444 1 707 . 1 . 1 153 153 SER CA C 13 58.9038 0.1 . 1 . . . . . 153 SER CA . 52444 1 708 . 1 . 1 153 153 SER CB C 13 63.2361 0.1 . 1 . . . . . 153 SER CB . 52444 1 709 . 1 . 1 153 153 SER N N 15 115.7257 0.1 . 1 . . . . . 153 SER N . 52444 1 710 . 1 . 1 154 154 VAL H H 1 8.0159 0.02 . 1 . . . . . 154 VAL HN . 52444 1 711 . 1 . 1 154 154 VAL C C 13 176.8014 0.1 . 1 . . . . . 154 VAL C . 52444 1 712 . 1 . 1 154 154 VAL CA C 13 62.5850 0.1 . 1 . . . . . 154 VAL CA . 52444 1 713 . 1 . 1 154 154 VAL CB C 13 31.3632 0.1 . 1 . . . . . 154 VAL CB . 52444 1 714 . 1 . 1 154 154 VAL N N 15 121.4746 0.1 . 1 . . . . . 154 VAL N . 52444 1 715 . 1 . 1 155 155 LYS H H 1 8.3276 0.02 . 1 . . . . . 155 LYS HN . 52444 1 716 . 1 . 1 155 155 LYS C C 13 176.5331 0.1 . 1 . . . . . 155 LYS C . 52444 1 717 . 1 . 1 155 155 LYS CA C 13 55.9918 0.1 . 1 . . . . . 155 LYS CA . 52444 1 718 . 1 . 1 155 155 LYS CB C 13 31.9646 0.1 . 1 . . . . . 155 LYS CB . 52444 1 719 . 1 . 1 155 155 LYS N N 15 120.6090 0.1 . 1 . . . . . 155 LYS N . 52444 1 720 . 1 . 1 156 156 ASN H H 1 8.4064 0.02 . 1 . . . . . 156 ASN HN . 52444 1 721 . 1 . 1 156 156 ASN C C 13 175.5897 0.1 . 1 . . . . . 156 ASN C . 52444 1 722 . 1 . 1 156 156 ASN CA C 13 53.2496 0.1 . 1 . . . . . 156 ASN CA . 52444 1 723 . 1 . 1 156 156 ASN CB C 13 38.2244 0.1 . 1 . . . . . 156 ASN CB . 52444 1 724 . 1 . 1 156 156 ASN N N 15 119.6073 0.1 . 1 . . . . . 156 ASN N . 52444 1 725 . 1 . 1 157 157 THR H H 1 8.1340 0.02 . 1 . . . . . 157 THR HN . 52444 1 726 . 1 . 1 157 157 THR C C 13 174.5470 0.1 . 1 . . . . . 157 THR C . 52444 1 727 . 1 . 1 157 157 THR CA C 13 61.8592 0.1 . 1 . . . . . 157 THR CA . 52444 1 728 . 1 . 1 157 157 THR CB C 13 69.0723 0.1 . 1 . . . . . 157 THR CB . 52444 1 729 . 1 . 1 157 157 THR N N 15 114.2010 0.1 . 1 . . . . . 157 THR N . 52444 1 730 . 1 . 1 158 158 GLU H H 1 8.3107 0.02 . 1 . . . . . 158 GLU HN . 52444 1 731 . 1 . 1 158 158 GLU C C 13 176.0786 0.1 . 1 . . . . . 158 GLU C . 52444 1 732 . 1 . 1 158 158 GLU CA C 13 56.1524 0.1 . 1 . . . . . 158 GLU CA . 52444 1 733 . 1 . 1 158 158 GLU CB C 13 29.2734 0.1 . 1 . . . . . 158 GLU CB . 52444 1 734 . 1 . 1 158 158 GLU N N 15 122.7736 0.1 . 1 . . . . . 158 GLU N . 52444 1 735 . 1 . 1 159 159 PHE H H 1 8.2241 0.02 . 1 . . . . . 159 PHE HN . 52444 1 736 . 1 . 1 159 159 PHE C C 13 175.4120 0.1 . 1 . . . . . 159 PHE C . 52444 1 737 . 1 . 1 159 159 PHE CA C 13 57.4567 0.1 . 1 . . . . . 159 PHE CA . 52444 1 738 . 1 . 1 159 159 PHE CB C 13 38.5492 0.1 . 1 . . . . . 159 PHE CB . 52444 1 739 . 1 . 1 159 159 PHE N N 15 121.3754 0.1 . 1 . . . . . 159 PHE N . 52444 1 740 . 1 . 1 160 160 ARG H H 1 8.0817 0.02 . 1 . . . . . 160 ARG HN . 52444 1 741 . 1 . 1 160 160 ARG C C 13 175.2093 0.1 . 1 . . . . . 160 ARG C . 52444 1 742 . 1 . 1 160 160 ARG CA C 13 55.3290 0.1 . 1 . . . . . 160 ARG CA . 52444 1 743 . 1 . 1 160 160 ARG CB C 13 30.0815 0.1 . 1 . . . . . 160 ARG CB . 52444 1 744 . 1 . 1 160 160 ARG N N 15 123.2037 0.1 . 1 . . . . . 160 ARG N . 52444 1 745 . 1 . 1 161 161 LYS H H 1 8.2892 0.02 . 1 . . . . . 161 LYS HN . 52444 1 746 . 1 . 1 161 161 LYS C C 13 175.4291 0.1 . 1 . . . . . 161 LYS C . 52444 1 747 . 1 . 1 161 161 LYS CA C 13 55.8123 0.1 . 1 . . . . . 161 LYS CA . 52444 1 748 . 1 . 1 161 161 LYS CB C 13 31.9196 0.1 . 1 . . . . . 161 LYS CB . 52444 1 749 . 1 . 1 161 161 LYS N N 15 123.7365 0.1 . 1 . . . . . 161 LYS N . 52444 1 750 . 1 . 1 162 162 LEU H H 1 7.9515 0.02 . 1 . . . . . 162 LEU HN . 52444 1 751 . 1 . 1 162 162 LEU CA C 13 56.25 0.1 . 1 . . . . . 162 LEU CA . 52444 1 752 . 1 . 1 162 162 LEU N N 15 130.0535 0.1 . 1 . . . . . 162 LEU N . 52444 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 52444 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'RfaH_High Pressure' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 5 '2D 1H-15N TROSY' . . . 52444 2 6 '3D CBCACONH' . . . 52444 2 7 '3D HNCACB' . . . 52444 2 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 . . 52444 2 2 $software_2 . . 52444 2 3 $software_3 . . 52444 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET CA C 13 54.5905 0.1 . 1 . . . . . 1 MET CA . 52444 2 2 . 1 . 1 1 1 MET CB C 13 31.8581 0.1 . 1 . . . . . 1 MET CB . 52444 2 3 . 1 . 1 2 2 GLN H H 1 9.0440 0.02 . 1 . . . . . 2 GLN HN . 52444 2 4 . 1 . 1 2 2 GLN CA C 13 55.9122 0.1 . 1 . . . . . 2 GLN CA . 52444 2 5 . 1 . 1 2 2 GLN CB C 13 28.3497 0.1 . 1 . . . . . 2 GLN CB . 52444 2 6 . 1 . 1 2 2 GLN N N 15 123.6339 0.1 . 1 . . . . . 2 GLN N . 52444 2 7 . 1 . 1 3 3 SER H H 1 8.2444 0.02 . 1 . . . . . 3 SER HN . 52444 2 8 . 1 . 1 3 3 SER CA C 13 57.3629 0.1 . 1 . . . . . 3 SER CA . 52444 2 9 . 1 . 1 3 3 SER CB C 13 66.3871 0.1 . 1 . . . . . 3 SER CB . 52444 2 10 . 1 . 1 3 3 SER N N 15 120.2611 0.1 . 1 . . . . . 3 SER N . 52444 2 11 . 1 . 1 4 4 TRP H H 1 8.4842 0.02 . 1 . . . . . 4 TRP HN . 52444 2 12 . 1 . 1 4 4 TRP CA C 13 56.9537 0.1 . 1 . . . . . 4 TRP CA . 52444 2 13 . 1 . 1 4 4 TRP CB C 13 30.4280 0.1 . 1 . . . . . 4 TRP CB . 52444 2 14 . 1 . 1 4 4 TRP N N 15 120.1216 0.1 . 1 . . . . . 4 TRP N . 52444 2 15 . 1 . 1 5 5 TYR H H 1 10.1608 0.02 . 1 . . . . . 5 TYR HN . 52444 2 16 . 1 . 1 5 5 TYR CA C 13 56.2933 0.1 . 1 . . . . . 5 TYR CA . 52444 2 17 . 1 . 1 5 5 TYR CB C 13 41.5884 0.1 . 1 . . . . . 5 TYR CB . 52444 2 18 . 1 . 1 5 5 TYR N N 15 120.6677 0.1 . 1 . . . . . 5 TYR N . 52444 2 19 . 1 . 1 6 6 LEU H H 1 10.2559 0.02 . 1 . . . . . 6 LEU HN . 52444 2 20 . 1 . 1 6 6 LEU CA C 13 53.8111 0.1 . 1 . . . . . 6 LEU CA . 52444 2 21 . 1 . 1 6 6 LEU CB C 13 44.7713 0.1 . 1 . . . . . 6 LEU CB . 52444 2 22 . 1 . 1 6 6 LEU N N 15 123.5931 0.1 . 1 . . . . . 6 LEU N . 52444 2 23 . 1 . 1 7 7 LEU H H 1 9.1899 0.02 . 1 . . . . . 7 LEU HN . 52444 2 24 . 1 . 1 7 7 LEU CA C 13 52.1182 0.1 . 1 . . . . . 7 LEU CA . 52444 2 25 . 1 . 1 7 7 LEU CB C 13 43.0201 0.1 . 1 . . . . . 7 LEU CB . 52444 2 26 . 1 . 1 7 7 LEU N N 15 124.4762 0.1 . 1 . . . . . 7 LEU N . 52444 2 27 . 1 . 1 8 8 TYR H H 1 8.8676 0.02 . 1 . . . . . 8 TYR HN . 52444 2 28 . 1 . 1 8 8 TYR CA C 13 55.9283 0.1 . 1 . . . . . 8 TYR CA . 52444 2 29 . 1 . 1 8 8 TYR CB C 13 39.0280 0.1 . 1 . . . . . 8 TYR CB . 52444 2 30 . 1 . 1 8 8 TYR N N 15 121.8785 0.1 . 1 . . . . . 8 TYR N . 52444 2 31 . 1 . 1 9 9 CYS H H 1 8.5356 0.02 . 1 . . . . . 9 CYS HN . 52444 2 32 . 1 . 1 9 9 CYS CA C 13 59.0188 0.1 . 1 . . . . . 9 CYS CA . 52444 2 33 . 1 . 1 9 9 CYS CB C 13 28.3679 0.1 . 1 . . . . . 9 CYS CB . 52444 2 34 . 1 . 1 9 9 CYS N N 15 126.0679 0.1 . 1 . . . . . 9 CYS N . 52444 2 35 . 1 . 1 10 10 LYS H H 1 8.0982 0.02 . 1 . . . . . 10 LYS HN . 52444 2 36 . 1 . 1 10 10 LYS CA C 13 55.8005 0.1 . 1 . . . . . 10 LYS CA . 52444 2 37 . 1 . 1 10 10 LYS CB C 13 31.7318 0.1 . 1 . . . . . 10 LYS CB . 52444 2 38 . 1 . 1 10 10 LYS N N 15 119.4835 0.1 . 1 . . . . . 10 LYS N . 52444 2 39 . 1 . 1 11 11 ARG H H 1 8.5416 0.02 . 1 . . . . . 11 ARG HN . 52444 2 40 . 1 . 1 11 11 ARG CA C 13 57.8381 0.1 . 1 . . . . . 11 ARG CA . 52444 2 41 . 1 . 1 11 11 ARG CB C 13 28.4875 0.1 . 1 . . . . . 11 ARG CB . 52444 2 42 . 1 . 1 11 11 ARG N N 15 125.5146 0.1 . 1 . . . . . 11 ARG N . 52444 2 43 . 1 . 1 12 12 GLY H H 1 8.8482 0.02 . 1 . . . . . 12 GLY HN . 52444 2 44 . 1 . 1 12 12 GLY CA C 13 45.6415 0.1 . 1 . . . . . 12 GLY CA . 52444 2 45 . 1 . 1 12 12 GLY N N 15 114.7876 0.1 . 1 . . . . . 12 GLY N . 52444 2 46 . 1 . 1 13 13 GLN H H 1 8.0303 0.02 . 1 . . . . . 13 GLN HN . 52444 2 47 . 1 . 1 13 13 GLN CA C 13 54.7804 0.1 . 1 . . . . . 13 GLN CA . 52444 2 48 . 1 . 1 13 13 GLN CB C 13 28.9124 0.1 . 1 . . . . . 13 GLN CB . 52444 2 49 . 1 . 1 13 13 GLN N N 15 116.2863 0.1 . 1 . . . . . 13 GLN N . 52444 2 50 . 1 . 1 14 14 LEU H H 1 7.7098 0.02 . 1 . . . . . 14 LEU HN . 52444 2 51 . 1 . 1 14 14 LEU CA C 13 59.6550 0.1 . 1 . . . . . 14 LEU CA . 52444 2 52 . 1 . 1 14 14 LEU CB C 13 40.4533 0.1 . 1 . . . . . 14 LEU CB . 52444 2 53 . 1 . 1 14 14 LEU N N 15 123.0183 0.1 . 1 . . . . . 14 LEU N . 52444 2 54 . 1 . 1 15 15 GLN H H 1 8.6854 0.02 . 1 . . . . . 15 GLN HN . 52444 2 55 . 1 . 1 15 15 GLN CA C 13 59.0743 0.1 . 1 . . . . . 15 GLN CA . 52444 2 56 . 1 . 1 15 15 GLN CB C 13 26.2015 0.1 . 1 . . . . . 15 GLN CB . 52444 2 57 . 1 . 1 15 15 GLN N N 15 117.8370 0.1 . 1 . . . . . 15 GLN N . 52444 2 58 . 1 . 1 16 16 ARG H H 1 7.8069 0.02 . 1 . . . . . 16 ARG HN . 52444 2 59 . 1 . 1 16 16 ARG CA C 13 57.9735 0.1 . 1 . . . . . 16 ARG CA . 52444 2 60 . 1 . 1 16 16 ARG CB C 13 28.6448 0.1 . 1 . . . . . 16 ARG CB . 52444 2 61 . 1 . 1 16 16 ARG N N 15 120.4547 0.1 . 1 . . . . . 16 ARG N . 52444 2 62 . 1 . 1 17 17 ALA H H 1 8.2068 0.02 . 1 . . . . . 17 ALA HN . 52444 2 63 . 1 . 1 17 17 ALA CA C 13 54.9433 0.1 . 1 . . . . . 17 ALA CA . 52444 2 64 . 1 . 1 17 17 ALA CB C 13 17.1786 0.1 . 1 . . . . . 17 ALA CB . 52444 2 65 . 1 . 1 17 17 ALA N N 15 125.4847 0.1 . 1 . . . . . 17 ALA N . 52444 2 66 . 1 . 1 18 18 GLN H H 1 9.0279 0.02 . 1 . . . . . 18 GLN HN . 52444 2 67 . 1 . 1 18 18 GLN CA C 13 58.7891 0.1 . 1 . . . . . 18 GLN CA . 52444 2 68 . 1 . 1 18 18 GLN CB C 13 26.4981 0.1 . 1 . . . . . 18 GLN CB . 52444 2 69 . 1 . 1 18 18 GLN N N 15 118.3597 0.1 . 1 . . . . . 18 GLN N . 52444 2 70 . 1 . 1 19 19 GLU H H 1 8.3157 0.02 . 1 . . . . . 19 GLU HN . 52444 2 71 . 1 . 1 19 19 GLU CA C 13 58.8209 0.1 . 1 . . . . . 19 GLU CA . 52444 2 72 . 1 . 1 19 19 GLU CB C 13 28.0661 0.1 . 1 . . . . . 19 GLU CB . 52444 2 73 . 1 . 1 19 19 GLU N N 15 117.8529 0.1 . 1 . . . . . 19 GLU N . 52444 2 74 . 1 . 1 20 20 HIS H H 1 7.8749 0.02 . 1 . . . . . 20 HIS HN . 52444 2 75 . 1 . 1 20 20 HIS CA C 13 59.1815 0.1 . 1 . . . . . 20 HIS CA . 52444 2 76 . 1 . 1 20 20 HIS CB C 13 28.4885 0.1 . 1 . . . . . 20 HIS CB . 52444 2 77 . 1 . 1 20 20 HIS N N 15 116.8055 0.1 . 1 . . . . . 20 HIS N . 52444 2 78 . 1 . 1 21 21 LEU H H 1 8.8662 0.02 . 1 . . . . . 21 LEU HN . 52444 2 79 . 1 . 1 21 21 LEU CA C 13 57.8779 0.1 . 1 . . . . . 21 LEU CA . 52444 2 80 . 1 . 1 21 21 LEU CB C 13 39.4599 0.1 . 1 . . . . . 21 LEU CB . 52444 2 81 . 1 . 1 21 21 LEU N N 15 123.1559 0.1 . 1 . . . . . 21 LEU N . 52444 2 82 . 1 . 1 22 22 GLU H H 1 9.1144 0.02 . 1 . . . . . 22 GLU HN . 52444 2 83 . 1 . 1 22 22 GLU CA C 13 59.1091 0.1 . 1 . . . . . 22 GLU CA . 52444 2 84 . 1 . 1 22 22 GLU CB C 13 27.4738 0.1 . 1 . . . . . 22 GLU CB . 52444 2 85 . 1 . 1 22 22 GLU N N 15 121.6639 0.1 . 1 . . . . . 22 GLU N . 52444 2 86 . 1 . 1 23 23 ARG H H 1 7.4954 0.02 . 1 . . . . . 23 ARG HN . 52444 2 87 . 1 . 1 23 23 ARG CA C 13 57.9151 0.1 . 1 . . . . . 23 ARG CA . 52444 2 88 . 1 . 1 23 23 ARG CB C 13 28.9401 0.1 . 1 . . . . . 23 ARG CB . 52444 2 89 . 1 . 1 23 23 ARG N N 15 119.1154 0.1 . 1 . . . . . 23 ARG N . 52444 2 90 . 1 . 1 24 24 GLN H H 1 7.4493 0.02 . 1 . . . . . 24 GLN HN . 52444 2 91 . 1 . 1 24 24 GLN CA C 13 54.5079 0.1 . 1 . . . . . 24 GLN CA . 52444 2 92 . 1 . 1 24 24 GLN CB C 13 28.6188 0.1 . 1 . . . . . 24 GLN CB . 52444 2 93 . 1 . 1 24 24 GLN N N 15 118.4834 0.1 . 1 . . . . . 24 GLN N . 52444 2 94 . 1 . 1 25 25 ALA H H 1 7.8055 0.02 . 1 . . . . . 25 ALA HN . 52444 2 95 . 1 . 1 25 25 ALA CA C 13 52.7082 0.1 . 1 . . . . . 25 ALA CA . 52444 2 96 . 1 . 1 25 25 ALA CB C 13 15.3029 0.1 . 1 . . . . . 25 ALA CB . 52444 2 97 . 1 . 1 25 25 ALA N N 15 117.4586 0.1 . 1 . . . . . 25 ALA N . 52444 2 98 . 1 . 1 26 26 VAL H H 1 7.6063 0.02 . 1 . . . . . 26 VAL HN . 52444 2 99 . 1 . 1 26 26 VAL CA C 13 61.5144 0.1 . 1 . . . . . 26 VAL CA . 52444 2 100 . 1 . 1 26 26 VAL CB C 13 30.9443 0.1 . 1 . . . . . 26 VAL CB . 52444 2 101 . 1 . 1 26 26 VAL N N 15 121.2144 0.1 . 1 . . . . . 26 VAL N . 52444 2 102 . 1 . 1 27 27 ASN H H 1 7.7866 0.02 . 1 . . . . . 27 ASN HN . 52444 2 103 . 1 . 1 27 27 ASN CA C 13 52.6806 0.1 . 1 . . . . . 27 ASN CA . 52444 2 104 . 1 . 1 27 27 ASN CB C 13 38.2941 0.1 . 1 . . . . . 27 ASN CB . 52444 2 105 . 1 . 1 27 27 ASN N N 15 125.2465 0.1 . 1 . . . . . 27 ASN N . 52444 2 106 . 1 . 1 28 28 CYS H H 1 9.0041 0.02 . 1 . . . . . 28 CYS HN . 52444 2 107 . 1 . 1 28 28 CYS CA C 13 57.5357 0.1 . 1 . . . . . 28 CYS CA . 52444 2 108 . 1 . 1 28 28 CYS CB C 13 32.0451 0.1 . 1 . . . . . 28 CYS CB . 52444 2 109 . 1 . 1 28 28 CYS N N 15 119.2195 0.1 . 1 . . . . . 28 CYS N . 52444 2 110 . 1 . 1 29 29 LEU H H 1 9.4491 0.02 . 1 . . . . . 29 LEU HN . 52444 2 111 . 1 . 1 29 29 LEU CA C 13 54.8056 0.1 . 1 . . . . . 29 LEU CA . 52444 2 112 . 1 . 1 29 29 LEU CB C 13 45.4393 0.1 . 1 . . . . . 29 LEU CB . 52444 2 113 . 1 . 1 29 29 LEU N N 15 123.2113 0.1 . 1 . . . . . 29 LEU N . 52444 2 114 . 1 . 1 30 30 ALA H H 1 9.1068 0.02 . 1 . . . . . 30 ALA HN . 52444 2 115 . 1 . 1 30 30 ALA CA C 13 49.0913 0.1 . 1 . . . . . 30 ALA CA . 52444 2 116 . 1 . 1 30 30 ALA CB C 13 18.5038 0.1 . 1 . . . . . 30 ALA CB . 52444 2 117 . 1 . 1 30 30 ALA N N 15 127.3851 0.1 . 1 . . . . . 30 ALA N . 52444 2 118 . 1 . 1 31 31 PRO CA C 13 62.4134 0.1 . 1 . . . . . 31 PRO CA . 52444 2 119 . 1 . 1 31 31 PRO CB C 13 31.8130 0.1 . 1 . . . . . 31 PRO CB . 52444 2 120 . 1 . 1 32 32 MET H H 1 8.8765 0.02 . 1 . . . . . 32 MET HN . 52444 2 121 . 1 . 1 32 32 MET CA C 13 52.9449 0.1 . 1 . . . . . 32 MET CA . 52444 2 122 . 1 . 1 32 32 MET CB C 13 33.2743 0.1 . 1 . . . . . 32 MET CB . 52444 2 123 . 1 . 1 32 32 MET N N 15 121.3032 0.1 . 1 . . . . . 32 MET N . 52444 2 124 . 1 . 1 33 33 ILE H H 1 9.3977 0.02 . 1 . . . . . 33 ILE HN . 52444 2 125 . 1 . 1 33 33 ILE CA C 13 59.4113 0.1 . 1 . . . . . 33 ILE CA . 52444 2 126 . 1 . 1 33 33 ILE CB C 13 40.8132 0.1 . 1 . . . . . 33 ILE CB . 52444 2 127 . 1 . 1 33 33 ILE N N 15 121.0806 0.1 . 1 . . . . . 33 ILE N . 52444 2 128 . 1 . 1 34 34 THR H H 1 8.3892 0.02 . 1 . . . . . 34 THR HN . 52444 2 129 . 1 . 1 34 34 THR CA C 13 61.4001 0.1 . 1 . . . . . 34 THR CA . 52444 2 130 . 1 . 1 34 34 THR CB C 13 69.0155 0.1 . 1 . . . . . 34 THR CB . 52444 2 131 . 1 . 1 34 34 THR N N 15 122.3514 0.1 . 1 . . . . . 34 THR N . 52444 2 132 . 1 . 1 35 35 LEU H H 1 8.8851 0.02 . 1 . . . . . 35 LEU HN . 52444 2 133 . 1 . 1 35 35 LEU CA C 13 53.0865 0.1 . 1 . . . . . 35 LEU CA . 52444 2 134 . 1 . 1 35 35 LEU CB C 13 43.4264 0.1 . 1 . . . . . 35 LEU CB . 52444 2 135 . 1 . 1 35 35 LEU N N 15 128.0331 0.1 . 1 . . . . . 35 LEU N . 52444 2 136 . 1 . 1 36 36 GLU H H 1 8.6183 0.02 . 1 . . . . . 36 GLU HN . 52444 2 137 . 1 . 1 36 36 GLU CA C 13 55.1482 0.1 . 1 . . . . . 36 GLU CA . 52444 2 138 . 1 . 1 36 36 GLU CB C 13 29.3437 0.1 . 1 . . . . . 36 GLU CB . 52444 2 139 . 1 . 1 36 36 GLU N N 15 121.0853 0.1 . 1 . . . . . 36 GLU N . 52444 2 140 . 1 . 1 37 37 LYS H H 1 8.9252 0.02 . 1 . . . . . 37 LYS HN . 52444 2 141 . 1 . 1 37 37 LYS CA C 13 54.0580 0.1 . 1 . . . . . 37 LYS CA . 52444 2 142 . 1 . 1 37 37 LYS CB C 13 35.0895 0.1 . 1 . . . . . 37 LYS CB . 52444 2 143 . 1 . 1 37 37 LYS N N 15 125.5008 0.1 . 1 . . . . . 37 LYS N . 52444 2 144 . 1 . 1 38 38 ILE H H 1 8.7408 0.02 . 1 . . . . . 38 ILE HN . 52444 2 145 . 1 . 1 38 38 ILE CA C 13 59.8357 0.1 . 1 . . . . . 38 ILE CA . 52444 2 146 . 1 . 1 38 38 ILE CB C 13 34.6138 0.1 . 1 . . . . . 38 ILE CB . 52444 2 147 . 1 . 1 38 38 ILE N N 15 122.1261 0.1 . 1 . . . . . 38 ILE N . 52444 2 148 . 1 . 1 39 39 VAL H H 1 8.6777 0.02 . 1 . . . . . 39 VAL HN . 52444 2 149 . 1 . 1 39 39 VAL CA C 13 61.4144 0.1 . 1 . . . . . 39 VAL CA . 52444 2 150 . 1 . 1 39 39 VAL CB C 13 32.7192 0.1 . 1 . . . . . 39 VAL CB . 52444 2 151 . 1 . 1 39 39 VAL N N 15 130.2150 0.1 . 1 . . . . . 39 VAL N . 52444 2 152 . 1 . 1 40 40 ARG H H 1 9.7198 0.02 . 1 . . . . . 40 ARG HN . 52444 2 153 . 1 . 1 40 40 ARG CA C 13 56.6088 0.1 . 1 . . . . . 40 ARG CA . 52444 2 154 . 1 . 1 40 40 ARG CB C 13 26.6549 0.1 . 1 . . . . . 40 ARG CB . 52444 2 155 . 1 . 1 40 40 ARG N N 15 129.6568 0.1 . 1 . . . . . 40 ARG N . 52444 2 156 . 1 . 1 41 41 GLY H H 1 8.3437 0.02 . 1 . . . . . 41 GLY HN . 52444 2 157 . 1 . 1 41 41 GLY CA C 13 45.1140 0.1 . 1 . . . . . 41 GLY CA . 52444 2 158 . 1 . 1 41 41 GLY N N 15 102.9197 0.1 . 1 . . . . . 41 GLY N . 52444 2 159 . 1 . 1 42 42 LYS H H 1 7.7835 0.02 . 1 . . . . . 42 LYS HN . 52444 2 160 . 1 . 1 42 42 LYS CA C 13 54.0323 0.1 . 1 . . . . . 42 LYS CA . 52444 2 161 . 1 . 1 42 42 LYS CB C 13 33.7757 0.1 . 1 . . . . . 42 LYS CB . 52444 2 162 . 1 . 1 42 42 LYS N N 15 121.0201 0.1 . 1 . . . . . 42 LYS N . 52444 2 163 . 1 . 1 43 43 ARG H H 1 9.1022 0.02 . 1 . . . . . 43 ARG HN . 52444 2 164 . 1 . 1 43 43 ARG CA C 13 57.2323 0.1 . 1 . . . . . 43 ARG CA . 52444 2 165 . 1 . 1 43 43 ARG CB C 13 28.6263 0.1 . 1 . . . . . 43 ARG CB . 52444 2 166 . 1 . 1 43 43 ARG N N 15 128.7888 0.1 . 1 . . . . . 43 ARG N . 52444 2 167 . 1 . 1 44 44 THR H H 1 9.1606 0.02 . 1 . . . . . 44 THR HN . 52444 2 168 . 1 . 1 44 44 THR CA C 13 61.3054 0.1 . 1 . . . . . 44 THR CA . 52444 2 169 . 1 . 1 44 44 THR CB C 13 71.7002 0.1 . 1 . . . . . 44 THR CB . 52444 2 170 . 1 . 1 44 44 THR N N 15 123.7733 0.1 . 1 . . . . . 44 THR N . 52444 2 171 . 1 . 1 45 45 ALA H H 1 8.5527 0.02 . 1 . . . . . 45 ALA HN . 52444 2 172 . 1 . 1 45 45 ALA CA C 13 51.3438 0.1 . 1 . . . . . 45 ALA CA . 52444 2 173 . 1 . 1 45 45 ALA CB C 13 18.0051 0.1 . 1 . . . . . 45 ALA CB . 52444 2 174 . 1 . 1 45 45 ALA N N 15 128.6956 0.1 . 1 . . . . . 45 ALA N . 52444 2 175 . 1 . 1 46 46 VAL H H 1 9.1068 0.02 . 1 . . . . . 46 VAL HN . 52444 2 176 . 1 . 1 46 46 VAL CA C 13 60.6348 0.1 . 1 . . . . . 46 VAL CA . 52444 2 177 . 1 . 1 46 46 VAL CB C 13 33.8791 0.1 . 1 . . . . . 46 VAL CB . 52444 2 178 . 1 . 1 46 46 VAL N N 15 124.6093 0.1 . 1 . . . . . 46 VAL N . 52444 2 179 . 1 . 1 47 47 SER H H 1 8.6879 0.02 . 1 . . . . . 47 SER HN . 52444 2 180 . 1 . 1 47 47 SER CA C 13 56.3054 0.1 . 1 . . . . . 47 SER CA . 52444 2 181 . 1 . 1 47 47 SER CB C 13 63.3115 0.1 . 1 . . . . . 47 SER CB . 52444 2 182 . 1 . 1 47 47 SER N N 15 120.9107 0.1 . 1 . . . . . 47 SER N . 52444 2 183 . 1 . 1 48 48 GLU H H 1 9.2415 0.02 . 1 . . . . . 48 GLU HN . 52444 2 184 . 1 . 1 48 48 GLU CA C 13 52.8362 0.1 . 1 . . . . . 48 GLU CA . 52444 2 185 . 1 . 1 48 48 GLU CB C 13 29.9705 0.1 . 1 . . . . . 48 GLU CB . 52444 2 186 . 1 . 1 48 48 GLU N N 15 124.5797 0.1 . 1 . . . . . 48 GLU N . 52444 2 187 . 1 . 1 49 49 PRO CA C 13 63.3860 0.1 . 1 . . . . . 49 PRO CA . 52444 2 188 . 1 . 1 49 49 PRO CB C 13 30.9414 0.1 . 1 . . . . . 49 PRO CB . 52444 2 189 . 1 . 1 50 50 LEU H H 1 8.8685 0.02 . 1 . . . . . 50 LEU HN . 52444 2 190 . 1 . 1 50 50 LEU CA C 13 57.2763 0.1 . 1 . . . . . 50 LEU CA . 52444 2 191 . 1 . 1 50 50 LEU CB C 13 41.1593 0.1 . 1 . . . . . 50 LEU CB . 52444 2 192 . 1 . 1 50 50 LEU N N 15 128.0750 0.1 . 1 . . . . . 50 LEU N . 52444 2 193 . 1 . 1 51 51 PHE H H 1 8.8871 0.02 . 1 . . . . . 51 PHE HN . 52444 2 194 . 1 . 1 51 51 PHE CA C 13 51.5189 0.1 . 1 . . . . . 51 PHE CA . 52444 2 195 . 1 . 1 51 51 PHE CB C 13 37.5750 0.1 . 1 . . . . . 51 PHE CB . 52444 2 196 . 1 . 1 51 51 PHE N N 15 115.3349 0.1 . 1 . . . . . 51 PHE N . 52444 2 197 . 1 . 1 52 52 PRO CA C 13 64.1300 0.1 . 1 . . . . . 52 PRO CA . 52444 2 198 . 1 . 1 52 52 PRO CB C 13 30.3406 0.1 . 1 . . . . . 52 PRO CB . 52444 2 199 . 1 . 1 53 53 ASN H H 1 9.2054 0.02 . 1 . . . . . 53 ASN HN . 52444 2 200 . 1 . 1 53 53 ASN CA C 13 55.7108 0.1 . 1 . . . . . 53 ASN CA . 52444 2 201 . 1 . 1 53 53 ASN CB C 13 37.0774 0.1 . 1 . . . . . 53 ASN CB . 52444 2 202 . 1 . 1 53 53 ASN N N 15 113.7599 0.1 . 1 . . . . . 53 ASN N . 52444 2 203 . 1 . 1 54 54 TYR H H 1 7.9631 0.02 . 1 . . . . . 54 TYR HN . 52444 2 204 . 1 . 1 54 54 TYR CA C 13 58.2424 0.1 . 1 . . . . . 54 TYR CA . 52444 2 205 . 1 . 1 54 54 TYR CB C 13 38.3683 0.1 . 1 . . . . . 54 TYR CB . 52444 2 206 . 1 . 1 54 54 TYR N N 15 118.6255 0.1 . 1 . . . . . 54 TYR N . 52444 2 207 . 1 . 1 55 55 LEU H H 1 9.2825 0.02 . 1 . . . . . 55 LEU HN . 52444 2 208 . 1 . 1 55 55 LEU CA C 13 52.8798 0.1 . 1 . . . . . 55 LEU CA . 52444 2 209 . 1 . 1 55 55 LEU CB C 13 46.8276 0.1 . 1 . . . . . 55 LEU CB . 52444 2 210 . 1 . 1 55 55 LEU N N 15 125.8729 0.1 . 1 . . . . . 55 LEU N . 52444 2 211 . 1 . 1 56 56 PHE H H 1 9.1858 0.02 . 1 . . . . . 56 PHE HN . 52444 2 212 . 1 . 1 56 56 PHE CA C 13 57.9290 0.1 . 1 . . . . . 56 PHE CA . 52444 2 213 . 1 . 1 56 56 PHE CB C 13 38.7783 0.1 . 1 . . . . . 56 PHE CB . 52444 2 214 . 1 . 1 56 56 PHE N N 15 127.5717 0.1 . 1 . . . . . 56 PHE N . 52444 2 215 . 1 . 1 57 57 VAL H H 1 9.2256 0.02 . 1 . . . . . 57 VAL HN . 52444 2 216 . 1 . 1 57 57 VAL CA C 13 58.2979 0.1 . 1 . . . . . 57 VAL CA . 52444 2 217 . 1 . 1 57 57 VAL CB C 13 34.7700 0.1 . 1 . . . . . 57 VAL CB . 52444 2 218 . 1 . 1 57 57 VAL N N 15 115.1818 0.1 . 1 . . . . . 57 VAL N . 52444 2 219 . 1 . 1 58 58 GLU H H 1 8.9821 0.02 . 1 . . . . . 58 GLU HN . 52444 2 220 . 1 . 1 58 58 GLU CA C 13 52.4032 0.1 . 1 . . . . . 58 GLU CA . 52444 2 221 . 1 . 1 58 58 GLU CB C 13 29.0103 0.1 . 1 . . . . . 58 GLU CB . 52444 2 222 . 1 . 1 58 58 GLU N N 15 126.4142 0.1 . 1 . . . . . 58 GLU N . 52444 2 223 . 1 . 1 59 59 PHE H H 1 8.6286 0.02 . 1 . . . . . 59 PHE HN . 52444 2 224 . 1 . 1 59 59 PHE CA C 13 55.9489 0.1 . 1 . . . . . 59 PHE CA . 52444 2 225 . 1 . 1 59 59 PHE CB C 13 39.5374 0.1 . 1 . . . . . 59 PHE CB . 52444 2 226 . 1 . 1 59 59 PHE N N 15 121.2319 0.1 . 1 . . . . . 59 PHE N . 52444 2 227 . 1 . 1 60 60 ASP H H 1 9.0320 0.02 . 1 . . . . . 60 ASP HN . 52444 2 228 . 1 . 1 60 60 ASP CA C 13 48.8950 0.1 . 1 . . . . . 60 ASP CA . 52444 2 229 . 1 . 1 60 60 ASP CB C 13 41.7586 0.1 . 1 . . . . . 60 ASP CB . 52444 2 230 . 1 . 1 60 60 ASP N N 15 120.6357 0.1 . 1 . . . . . 60 ASP N . 52444 2 231 . 1 . 1 61 61 PRO CA C 13 63.1714 0.1 . 1 . . . . . 61 PRO CA . 52444 2 232 . 1 . 1 61 61 PRO CB C 13 31.2141 0.1 . 1 . . . . . 61 PRO CB . 52444 2 233 . 1 . 1 62 62 GLU H H 1 8.4866 0.02 . 1 . . . . . 62 GLU HN . 52444 2 234 . 1 . 1 62 62 GLU CA C 13 56.5087 0.1 . 1 . . . . . 62 GLU CA . 52444 2 235 . 1 . 1 62 62 GLU CB C 13 28.3738 0.1 . 1 . . . . . 62 GLU CB . 52444 2 236 . 1 . 1 62 62 GLU N N 15 117.0997 0.1 . 1 . . . . . 62 GLU N . 52444 2 237 . 1 . 1 63 63 VAL H H 1 8.1032 0.02 . 1 . . . . . 63 VAL HN . 52444 2 238 . 1 . 1 63 63 VAL CA C 13 63.4849 0.1 . 1 . . . . . 63 VAL CA . 52444 2 239 . 1 . 1 63 63 VAL CB C 13 32.5037 0.1 . 1 . . . . . 63 VAL CB . 52444 2 240 . 1 . 1 63 63 VAL N N 15 121.8299 0.1 . 1 . . . . . 63 VAL N . 52444 2 241 . 1 . 1 64 64 ILE H H 1 8.4078 0.02 . 1 . . . . . 64 ILE HN . 52444 2 242 . 1 . 1 64 64 ILE CA C 13 59.3347 0.1 . 1 . . . . . 64 ILE CA . 52444 2 243 . 1 . 1 64 64 ILE CB C 13 38.5189 0.1 . 1 . . . . . 64 ILE CB . 52444 2 244 . 1 . 1 64 64 ILE N N 15 122.0908 0.1 . 1 . . . . . 64 ILE N . 52444 2 245 . 1 . 1 65 65 HIS H H 1 8.2600 0.02 . 1 . . . . . 65 HIS HN . 52444 2 246 . 1 . 1 65 65 HIS CA C 13 54.2740 0.1 . 1 . . . . . 65 HIS CA . 52444 2 247 . 1 . 1 65 65 HIS CB C 13 27.8036 0.1 . 1 . . . . . 65 HIS CB . 52444 2 248 . 1 . 1 65 65 HIS N N 15 119.8065 0.1 . 1 . . . . . 65 HIS N . 52444 2 249 . 1 . 1 66 66 THR H H 1 9.3703 0.02 . 1 . . . . . 66 THR HN . 52444 2 250 . 1 . 1 66 66 THR CA C 13 66.1024 0.1 . 1 . . . . . 66 THR CA . 52444 2 251 . 1 . 1 66 66 THR CB C 13 67.0113 0.1 . 1 . . . . . 66 THR CB . 52444 2 252 . 1 . 1 66 66 THR N N 15 117.3693 0.1 . 1 . . . . . 66 THR N . 52444 2 253 . 1 . 1 67 67 THR H H 1 8.0890 0.02 . 1 . . . . . 67 THR HN . 52444 2 254 . 1 . 1 67 67 THR CA C 13 64.3514 0.1 . 1 . . . . . 67 THR CA . 52444 2 255 . 1 . 1 67 67 THR CB C 13 67.5222 0.1 . 1 . . . . . 67 THR CB . 52444 2 256 . 1 . 1 67 67 THR N N 15 112.3457 0.1 . 1 . . . . . 67 THR N . 52444 2 257 . 1 . 1 68 68 THR H H 1 7.1732 0.02 . 1 . . . . . 68 THR HN . 52444 2 258 . 1 . 1 68 68 THR CA C 13 65.1123 0.1 . 1 . . . . . 68 THR CA . 52444 2 259 . 1 . 1 68 68 THR CB C 13 67.6872 0.1 . 1 . . . . . 68 THR CB . 52444 2 260 . 1 . 1 68 68 THR N N 15 121.2090 0.1 . 1 . . . . . 68 THR N . 52444 2 261 . 1 . 1 69 69 ILE H H 1 7.3664 0.02 . 1 . . . . . 69 ILE HN . 52444 2 262 . 1 . 1 69 69 ILE CA C 13 62.1475 0.1 . 1 . . . . . 69 ILE CA . 52444 2 263 . 1 . 1 69 69 ILE CB C 13 33.8450 0.1 . 1 . . . . . 69 ILE CB . 52444 2 264 . 1 . 1 69 69 ILE N N 15 122.5265 0.1 . 1 . . . . . 69 ILE N . 52444 2 265 . 1 . 1 70 70 ASN H H 1 8.4010 0.02 . 1 . . . . . 70 ASN HN . 52444 2 266 . 1 . 1 70 70 ASN CA C 13 54.6121 0.1 . 1 . . . . . 70 ASN CA . 52444 2 267 . 1 . 1 70 70 ASN CB C 13 39.1430 0.1 . 1 . . . . . 70 ASN CB . 52444 2 268 . 1 . 1 70 70 ASN N N 15 116.5192 0.1 . 1 . . . . . 70 ASN N . 52444 2 269 . 1 . 1 71 71 ALA H H 1 7.1862 0.02 . 1 . . . . . 71 ALA HN . 52444 2 270 . 1 . 1 71 71 ALA CA C 13 51.5585 0.1 . 1 . . . . . 71 ALA CA . 52444 2 271 . 1 . 1 71 71 ALA CB C 13 17.9282 0.1 . 1 . . . . . 71 ALA CB . 52444 2 272 . 1 . 1 71 71 ALA N N 15 116.6557 0.1 . 1 . . . . . 71 ALA N . 52444 2 273 . 1 . 1 72 72 THR H H 1 7.2266 0.02 . 1 . . . . . 72 THR HN . 52444 2 274 . 1 . 1 72 72 THR CA C 13 64.0410 0.1 . 1 . . . . . 72 THR CA . 52444 2 275 . 1 . 1 72 72 THR CB C 13 68.7078 0.1 . 1 . . . . . 72 THR CB . 52444 2 276 . 1 . 1 72 72 THR N N 15 118.6514 0.1 . 1 . . . . . 72 THR N . 52444 2 277 . 1 . 1 73 73 ARG H H 1 8.7655 0.02 . 1 . . . . . 73 ARG HN . 52444 2 278 . 1 . 1 73 73 ARG CA C 13 57.7124 0.1 . 1 . . . . . 73 ARG CA . 52444 2 279 . 1 . 1 73 73 ARG CB C 13 27.8627 0.1 . 1 . . . . . 73 ARG CB . 52444 2 280 . 1 . 1 73 73 ARG N N 15 130.0670 0.1 . 1 . . . . . 73 ARG N . 52444 2 281 . 1 . 1 74 74 GLY H H 1 8.6066 0.02 . 1 . . . . . 74 GLY HN . 52444 2 282 . 1 . 1 74 74 GLY CA C 13 44.7830 0.1 . 1 . . . . . 74 GLY CA . 52444 2 283 . 1 . 1 74 74 GLY N N 15 111.0973 0.1 . 1 . . . . . 74 GLY N . 52444 2 284 . 1 . 1 75 75 VAL H H 1 7.8546 0.02 . 1 . . . . . 75 VAL HN . 52444 2 285 . 1 . 1 75 75 VAL CA C 13 63.6816 0.1 . 1 . . . . . 75 VAL CA . 52444 2 286 . 1 . 1 75 75 VAL CB C 13 31.0532 0.1 . 1 . . . . . 75 VAL CB . 52444 2 287 . 1 . 1 75 75 VAL N N 15 121.7932 0.1 . 1 . . . . . 75 VAL N . 52444 2 288 . 1 . 1 76 76 SER H H 1 9.0335 0.02 . 1 . . . . . 76 SER HN . 52444 2 289 . 1 . 1 76 76 SER CA C 13 58.5215 0.1 . 1 . . . . . 76 SER CA . 52444 2 290 . 1 . 1 76 76 SER CB C 13 62.3537 0.1 . 1 . . . . . 76 SER CB . 52444 2 291 . 1 . 1 76 76 SER N N 15 120.4416 0.1 . 1 . . . . . 76 SER N . 52444 2 292 . 1 . 1 77 77 HIS H H 1 7.8488 0.02 . 1 . . . . . 77 HIS HN . 52444 2 293 . 1 . 1 77 77 HIS CA C 13 55.1856 0.1 . 1 . . . . . 77 HIS CA . 52444 2 294 . 1 . 1 77 77 HIS CB C 13 29.9764 0.1 . 1 . . . . . 77 HIS CB . 52444 2 295 . 1 . 1 77 77 HIS N N 15 110.1615 0.1 . 1 . . . . . 77 HIS N . 52444 2 296 . 1 . 1 78 78 PHE H H 1 9.1824 0.02 . 1 . . . . . 78 PHE HN . 52444 2 297 . 1 . 1 78 78 PHE CA C 13 58.3790 0.1 . 1 . . . . . 78 PHE CA . 52444 2 298 . 1 . 1 78 78 PHE CB C 13 39.1434 0.1 . 1 . . . . . 78 PHE CB . 52444 2 299 . 1 . 1 78 78 PHE N N 15 117.6709 0.1 . 1 . . . . . 78 PHE N . 52444 2 300 . 1 . 1 79 79 VAL H H 1 9.4441 0.02 . 1 . . . . . 79 VAL HN . 52444 2 301 . 1 . 1 79 79 VAL CA C 13 63.7405 0.1 . 1 . . . . . 79 VAL CA . 52444 2 302 . 1 . 1 79 79 VAL CB C 13 30.6855 0.1 . 1 . . . . . 79 VAL CB . 52444 2 303 . 1 . 1 79 79 VAL N N 15 124.4058 0.1 . 1 . . . . . 79 VAL N . 52444 2 304 . 1 . 1 80 80 ARG H H 1 8.7882 0.02 . 1 . . . . . 80 ARG HN . 52444 2 305 . 1 . 1 80 80 ARG CA C 13 55.5388 0.1 . 1 . . . . . 80 ARG CA . 52444 2 306 . 1 . 1 80 80 ARG CB C 13 32.3069 0.1 . 1 . . . . . 80 ARG CB . 52444 2 307 . 1 . 1 80 80 ARG N N 15 128.7259 0.1 . 1 . . . . . 80 ARG N . 52444 2 308 . 1 . 1 81 81 PHE H H 1 8.8433 0.02 . 1 . . . . . 81 PHE HN . 52444 2 309 . 1 . 1 81 81 PHE CA C 13 57.1758 0.1 . 1 . . . . . 81 PHE CA . 52444 2 310 . 1 . 1 81 81 PHE CB C 13 38.3764 0.1 . 1 . . . . . 81 PHE CB . 52444 2 311 . 1 . 1 81 81 PHE N N 15 122.7173 0.1 . 1 . . . . . 81 PHE N . 52444 2 312 . 1 . 1 82 82 GLY H H 1 8.3053 0.02 . 1 . . . . . 82 GLY HN . 52444 2 313 . 1 . 1 82 82 GLY CA C 13 45.1949 0.1 . 1 . . . . . 82 GLY CA . 52444 2 314 . 1 . 1 82 82 GLY N N 15 114.4232 0.1 . 1 . . . . . 82 GLY N . 52444 2 315 . 1 . 1 83 83 ALA H H 1 8.8069 0.02 . 1 . . . . . 83 ALA HN . 52444 2 316 . 1 . 1 83 83 ALA CA C 13 53.0434 0.1 . 1 . . . . . 83 ALA CA . 52444 2 317 . 1 . 1 83 83 ALA CB C 13 18.5682 0.1 . 1 . . . . . 83 ALA CB . 52444 2 318 . 1 . 1 83 83 ALA N N 15 126.8001 0.1 . 1 . . . . . 83 ALA N . 52444 2 319 . 1 . 1 84 84 SER H H 1 7.8956 0.02 . 1 . . . . . 84 SER HN . 52444 2 320 . 1 . 1 84 84 SER CA C 13 56.4406 0.1 . 1 . . . . . 84 SER CA . 52444 2 321 . 1 . 1 84 84 SER CB C 13 63.1422 0.1 . 1 . . . . . 84 SER CB . 52444 2 322 . 1 . 1 84 84 SER N N 15 113.8778 0.1 . 1 . . . . . 84 SER N . 52444 2 323 . 1 . 1 85 85 PRO CA C 13 63.1263 0.1 . 1 . . . . . 85 PRO CA . 52444 2 324 . 1 . 1 85 85 PRO CB C 13 31.0608 0.1 . 1 . . . . . 85 PRO CB . 52444 2 325 . 1 . 1 86 86 ALA H H 1 8.4235 0.02 . 1 . . . . . 86 ALA HN . 52444 2 326 . 1 . 1 86 86 ALA CA C 13 52.0915 0.1 . 1 . . . . . 86 ALA CA . 52444 2 327 . 1 . 1 86 86 ALA CB C 13 18.3224 0.1 . 1 . . . . . 86 ALA CB . 52444 2 328 . 1 . 1 86 86 ALA N N 15 123.0923 0.1 . 1 . . . . . 86 ALA N . 52444 2 329 . 1 . 1 87 87 ILE H H 1 8.2930 0.02 . 1 . . . . . 87 ILE HN . 52444 2 330 . 1 . 1 87 87 ILE CA C 13 59.2685 0.1 . 1 . . . . . 87 ILE CA . 52444 2 331 . 1 . 1 87 87 ILE CB C 13 36.0493 0.1 . 1 . . . . . 87 ILE CB . 52444 2 332 . 1 . 1 87 87 ILE N N 15 123.7672 0.1 . 1 . . . . . 87 ILE N . 52444 2 333 . 1 . 1 88 88 VAL H H 1 8.9919 0.02 . 1 . . . . . 88 VAL HN . 52444 2 334 . 1 . 1 88 88 VAL CA C 13 60.4639 0.1 . 1 . . . . . 88 VAL CA . 52444 2 335 . 1 . 1 88 88 VAL CB C 13 31.1337 0.1 . 1 . . . . . 88 VAL CB . 52444 2 336 . 1 . 1 88 88 VAL N N 15 131.0992 0.1 . 1 . . . . . 88 VAL N . 52444 2 337 . 1 . 1 89 89 PRO CA C 13 62.5168 0.1 . 1 . . . . . 89 PRO CA . 52444 2 338 . 1 . 1 89 89 PRO CB C 13 31.9573 0.1 . 1 . . . . . 89 PRO CB . 52444 2 339 . 1 . 1 90 90 SER H H 1 9.2034 0.02 . 1 . . . . . 90 SER HN . 52444 2 340 . 1 . 1 90 90 SER CA C 13 61.3198 0.1 . 1 . . . . . 90 SER CA . 52444 2 341 . 1 . 1 90 90 SER N N 15 122.1418 0.1 . 1 . . . . . 90 SER N . 52444 2 342 . 1 . 1 91 91 ALA H H 1 9.1361 0.02 . 1 . . . . . 91 ALA HN . 52444 2 343 . 1 . 1 91 91 ALA CA C 13 54.5736 0.1 . 1 . . . . . 91 ALA CA . 52444 2 344 . 1 . 1 91 91 ALA CB C 13 18.0763 0.1 . 1 . . . . . 91 ALA CB . 52444 2 345 . 1 . 1 91 91 ALA N N 15 122.5271 0.1 . 1 . . . . . 91 ALA N . 52444 2 346 . 1 . 1 92 92 VAL H H 1 7.1689 0.02 . 1 . . . . . 92 VAL HN . 52444 2 347 . 1 . 1 92 92 VAL CA C 13 65.2619 0.1 . 1 . . . . . 92 VAL CA . 52444 2 348 . 1 . 1 92 92 VAL CB C 13 29.8872 0.1 . 1 . . . . . 92 VAL CB . 52444 2 349 . 1 . 1 92 92 VAL N N 15 116.3878 0.1 . 1 . . . . . 92 VAL N . 52444 2 350 . 1 . 1 93 93 ILE H H 1 6.7499 0.02 . 1 . . . . . 93 ILE HN . 52444 2 351 . 1 . 1 93 93 ILE CA C 13 60.4725 0.1 . 1 . . . . . 93 ILE CA . 52444 2 352 . 1 . 1 93 93 ILE CB C 13 33.2982 0.1 . 1 . . . . . 93 ILE CB . 52444 2 353 . 1 . 1 93 93 ILE N N 15 117.6130 0.1 . 1 . . . . . 93 ILE N . 52444 2 354 . 1 . 1 94 94 HIS H H 1 8.4616 0.02 . 1 . . . . . 94 HIS HN . 52444 2 355 . 1 . 1 94 94 HIS CA C 13 57.9540 0.1 . 1 . . . . . 94 HIS CA . 52444 2 356 . 1 . 1 94 94 HIS CB C 13 27.3186 0.1 . 1 . . . . . 94 HIS CB . 52444 2 357 . 1 . 1 94 94 HIS N N 15 117.1237 0.1 . 1 . . . . . 94 HIS N . 52444 2 358 . 1 . 1 95 95 GLN H H 1 7.1030 0.02 . 1 . . . . . 95 GLN HN . 52444 2 359 . 1 . 1 95 95 GLN CA C 13 56.4928 0.1 . 1 . . . . . 95 GLN CA . 52444 2 360 . 1 . 1 95 95 GLN CB C 13 25.9884 0.1 . 1 . . . . . 95 GLN CB . 52444 2 361 . 1 . 1 95 95 GLN N N 15 116.0889 0.1 . 1 . . . . . 95 GLN N . 52444 2 362 . 1 . 1 96 96 LEU H H 1 7.2175 0.02 . 1 . . . . . 96 LEU HN . 52444 2 363 . 1 . 1 96 96 LEU CA C 13 55.8740 0.1 . 1 . . . . . 96 LEU CA . 52444 2 364 . 1 . 1 96 96 LEU CB C 13 40.2543 0.1 . 1 . . . . . 96 LEU CB . 52444 2 365 . 1 . 1 96 96 LEU N N 15 116.0739 0.1 . 1 . . . . . 96 LEU N . 52444 2 366 . 1 . 1 97 97 SER H H 1 7.4244 0.02 . 1 . . . . . 97 SER HN . 52444 2 367 . 1 . 1 97 97 SER CA C 13 59.1349 0.1 . 1 . . . . . 97 SER CA . 52444 2 368 . 1 . 1 97 97 SER CB C 13 63.0696 0.1 . 1 . . . . . 97 SER CB . 52444 2 369 . 1 . 1 97 97 SER N N 15 112.6238 0.1 . 1 . . . . . 97 SER N . 52444 2 370 . 1 . 1 98 98 VAL H H 1 7.3332 0.02 . 1 . . . . . 98 VAL HN . 52444 2 371 . 1 . 1 98 98 VAL CA C 13 61.7276 0.1 . 1 . . . . . 98 VAL CA . 52444 2 372 . 1 . 1 98 98 VAL CB C 13 30.9374 0.1 . 1 . . . . . 98 VAL CB . 52444 2 373 . 1 . 1 98 98 VAL N N 15 116.5991 0.1 . 1 . . . . . 98 VAL N . 52444 2 374 . 1 . 1 99 99 TYR H H 1 7.8388 0.02 . 1 . . . . . 99 TYR HN . 52444 2 375 . 1 . 1 99 99 TYR CA C 13 58.1477 0.1 . 1 . . . . . 99 TYR CA . 52444 2 376 . 1 . 1 99 99 TYR CB C 13 37.3875 0.1 . 1 . . . . . 99 TYR CB . 52444 2 377 . 1 . 1 99 99 TYR N N 15 123.2708 0.1 . 1 . . . . . 99 TYR N . 52444 2 378 . 1 . 1 100 100 LYS H H 1 7.8122 0.02 . 1 . . . . . 100 LYS HN . 52444 2 379 . 1 . 1 100 100 LYS CA C 13 52.8649 0.1 . 1 . . . . . 100 LYS CA . 52444 2 380 . 1 . 1 100 100 LYS CB C 13 31.7580 0.1 . 1 . . . . . 100 LYS CB . 52444 2 381 . 1 . 1 100 100 LYS N N 15 126.5574 0.1 . 1 . . . . . 100 LYS N . 52444 2 382 . 1 . 1 101 101 PRO CA C 13 62.7585 0.1 . 1 . . . . . 101 PRO CA . 52444 2 383 . 1 . 1 102 102 LYS H H 1 8.4057 0.02 . 1 . . . . . 102 LYS HN . 52444 2 384 . 1 . 1 102 102 LYS CA C 13 55.9832 0.1 . 1 . . . . . 102 LYS CA . 52444 2 385 . 1 . 1 102 102 LYS CB C 13 31.7801 0.1 . 1 . . . . . 102 LYS CB . 52444 2 386 . 1 . 1 102 102 LYS N N 15 121.1999 0.1 . 1 . . . . . 102 LYS N . 52444 2 387 . 1 . 1 103 103 ASP H H 1 8.2976 0.02 . 1 . . . . . 103 ASP HN . 52444 2 388 . 1 . 1 103 103 ASP CA C 13 53.9594 0.1 . 1 . . . . . 103 ASP CA . 52444 2 389 . 1 . 1 103 103 ASP CB C 13 40.3516 0.1 . 1 . . . . . 103 ASP CB . 52444 2 390 . 1 . 1 103 103 ASP N N 15 121.1738 0.1 . 1 . . . . . 103 ASP N . 52444 2 391 . 1 . 1 104 104 ILE H H 1 8.1159 0.02 . 1 . . . . . 104 ILE HN . 52444 2 392 . 1 . 1 104 104 ILE CA C 13 60.5997 0.1 . 1 . . . . . 104 ILE CA . 52444 2 393 . 1 . 1 104 104 ILE CB C 13 37.2378 0.1 . 1 . . . . . 104 ILE CB . 52444 2 394 . 1 . 1 104 104 ILE N N 15 121.1205 0.1 . 1 . . . . . 104 ILE N . 52444 2 395 . 1 . 1 105 105 VAL H H 1 8.2749 0.02 . 1 . . . . . 105 VAL HN . 52444 2 396 . 1 . 1 105 105 VAL CA C 13 61.6202 0.1 . 1 . . . . . 105 VAL CA . 52444 2 397 . 1 . 1 105 105 VAL CB C 13 31.5784 0.1 . 1 . . . . . 105 VAL CB . 52444 2 398 . 1 . 1 105 105 VAL N N 15 124.7090 0.1 . 1 . . . . . 105 VAL N . 52444 2 399 . 1 . 1 106 106 ASP H H 1 8.5077 0.02 . 1 . . . . . 106 ASP HN . 52444 2 400 . 1 . 1 106 106 ASP CA C 13 51.7901 0.1 . 1 . . . . . 106 ASP CA . 52444 2 401 . 1 . 1 106 106 ASP CB C 13 40.3416 0.1 . 1 . . . . . 106 ASP CB . 52444 2 402 . 1 . 1 106 106 ASP N N 15 125.5459 0.1 . 1 . . . . . 106 ASP N . 52444 2 403 . 1 . 1 107 107 PRO CA C 13 63.8231 0.1 . 1 . . . . . 107 PRO CA . 52444 2 404 . 1 . 1 107 107 PRO CB C 13 31.4985 0.1 . 1 . . . . . 107 PRO CB . 52444 2 405 . 1 . 1 108 108 ALA H H 1 9.0659 0.02 . 1 . . . . . 108 ALA HN . 52444 2 406 . 1 . 1 108 108 ALA CA C 13 52.0948 0.1 . 1 . . . . . 108 ALA CA . 52444 2 407 . 1 . 1 108 108 ALA CB C 13 18.3386 0.1 . 1 . . . . . 108 ALA CB . 52444 2 408 . 1 . 1 108 108 ALA N N 15 128.3816 0.1 . 1 . . . . . 108 ALA N . 52444 2 409 . 1 . 1 109 109 THR H H 1 8.0284 0.02 . 1 . . . . . 109 THR HN . 52444 2 410 . 1 . 1 109 109 THR CA C 13 59.3992 0.1 . 1 . . . . . 109 THR CA . 52444 2 411 . 1 . 1 109 109 THR CB C 13 69.3547 0.1 . 1 . . . . . 109 THR CB . 52444 2 412 . 1 . 1 109 109 THR N N 15 115.9562 0.1 . 1 . . . . . 109 THR N . 52444 2 413 . 1 . 1 110 110 PRO CA C 13 62.8481 0.1 . 1 . . . . . 110 PRO CA . 52444 2 414 . 1 . 1 110 110 PRO CB C 13 31.0039 0.1 . 1 . . . . . 110 PRO CB . 52444 2 415 . 1 . 1 111 111 TYR H H 1 8.3988 0.02 . 1 . . . . . 111 TYR HN . 52444 2 416 . 1 . 1 111 111 TYR CA C 13 55.2140 0.1 . 1 . . . . . 111 TYR CA . 52444 2 417 . 1 . 1 111 111 TYR CB C 13 37.2391 0.1 . 1 . . . . . 111 TYR CB . 52444 2 418 . 1 . 1 111 111 TYR N N 15 122.2957 0.1 . 1 . . . . . 111 TYR N . 52444 2 419 . 1 . 1 112 112 PRO CA C 13 63.3238 0.1 . 1 . . . . . 112 PRO CA . 52444 2 420 . 1 . 1 112 112 PRO CB C 13 30.8419 0.1 . 1 . . . . . 112 PRO CB . 52444 2 421 . 1 . 1 113 113 GLY H H 1 7.8608 0.02 . 1 . . . . . 113 GLY HN . 52444 2 422 . 1 . 1 113 113 GLY CA C 13 44.9820 0.1 . 1 . . . . . 113 GLY CA . 52444 2 423 . 1 . 1 113 113 GLY N N 15 109.1619 0.1 . 1 . . . . . 113 GLY N . 52444 2 424 . 1 . 1 114 114 ASP H H 1 8.3551 0.02 . 1 . . . . . 114 ASP HN . 52444 2 425 . 1 . 1 114 114 ASP CA C 13 53.9303 0.1 . 1 . . . . . 114 ASP CA . 52444 2 426 . 1 . 1 114 114 ASP CB C 13 40.3411 0.1 . 1 . . . . . 114 ASP CB . 52444 2 427 . 1 . 1 114 114 ASP N N 15 120.4504 0.1 . 1 . . . . . 114 ASP N . 52444 2 428 . 1 . 1 115 115 LYS H H 1 8.2504 0.02 . 1 . . . . . 115 LYS HN . 52444 2 429 . 1 . 1 115 115 LYS CA C 13 55.8044 0.1 . 1 . . . . . 115 LYS CA . 52444 2 430 . 1 . 1 115 115 LYS CB C 13 31.5565 0.1 . 1 . . . . . 115 LYS CB . 52444 2 431 . 1 . 1 115 115 LYS N N 15 121.2878 0.1 . 1 . . . . . 115 LYS N . 52444 2 432 . 1 . 1 116 116 VAL H H 1 8.1916 0.02 . 1 . . . . . 116 VAL HN . 52444 2 433 . 1 . 1 116 116 VAL CA C 13 62.0202 0.1 . 1 . . . . . 116 VAL CA . 52444 2 434 . 1 . 1 116 116 VAL CB C 13 31.3208 0.1 . 1 . . . . . 116 VAL CB . 52444 2 435 . 1 . 1 116 116 VAL N N 15 122.5605 0.1 . 1 . . . . . 116 VAL N . 52444 2 436 . 1 . 1 117 117 ILE H H 1 8.3772 0.02 . 1 . . . . . 117 ILE HN . 52444 2 437 . 1 . 1 117 117 ILE CA C 13 60.3460 0.1 . 1 . . . . . 117 ILE CA . 52444 2 438 . 1 . 1 117 117 ILE CB C 13 37.0355 0.1 . 1 . . . . . 117 ILE CB . 52444 2 439 . 1 . 1 117 117 ILE N N 15 126.2400 0.1 . 1 . . . . . 117 ILE N . 52444 2 440 . 1 . 1 118 118 ILE H H 1 8.4257 0.02 . 1 . . . . . 118 ILE HN . 52444 2 441 . 1 . 1 118 118 ILE CA C 13 60.2390 0.1 . 1 . . . . . 118 ILE CA . 52444 2 442 . 1 . 1 118 118 ILE CB C 13 36.9208 0.1 . 1 . . . . . 118 ILE CB . 52444 2 443 . 1 . 1 118 118 ILE N N 15 126.4823 0.1 . 1 . . . . . 118 ILE N . 52444 2 444 . 1 . 1 119 119 THR H H 1 8.3040 0.02 . 1 . . . . . 119 THR HN . 52444 2 445 . 1 . 1 119 119 THR CA C 13 61.5233 0.1 . 1 . . . . . 119 THR CA . 52444 2 446 . 1 . 1 119 119 THR CB C 13 69.2743 0.1 . 1 . . . . . 119 THR CB . 52444 2 447 . 1 . 1 119 119 THR N N 15 118.8617 0.1 . 1 . . . . . 119 THR N . 52444 2 448 . 1 . 1 120 120 GLU H H 1 8.3704 0.02 . 1 . . . . . 120 GLU HN . 52444 2 449 . 1 . 1 120 120 GLU CA C 13 56.1705 0.1 . 1 . . . . . 120 GLU CA . 52444 2 450 . 1 . 1 120 120 GLU CB C 13 28.9642 0.1 . 1 . . . . . 120 GLU CB . 52444 2 451 . 1 . 1 120 120 GLU N N 15 123.4949 0.1 . 1 . . . . . 120 GLU N . 52444 2 452 . 1 . 1 121 121 GLY H H 1 8.6024 0.02 . 1 . . . . . 121 GLY HN . 52444 2 453 . 1 . 1 121 121 GLY CA C 13 45.3159 0.1 . 1 . . . . . 121 GLY CA . 52444 2 454 . 1 . 1 121 121 GLY N N 15 111.0202 0.1 . 1 . . . . . 121 GLY N . 52444 2 455 . 1 . 1 122 122 ALA H H 1 8.4982 0.02 . 1 . . . . . 122 ALA HN . 52444 2 456 . 1 . 1 122 122 ALA CA C 13 53.1731 0.1 . 1 . . . . . 122 ALA CA . 52444 2 457 . 1 . 1 122 122 ALA CB C 13 17.8671 0.1 . 1 . . . . . 122 ALA CB . 52444 2 458 . 1 . 1 122 122 ALA N N 15 124.4288 0.1 . 1 . . . . . 122 ALA N . 52444 2 459 . 1 . 1 123 123 PHE H H 1 8.4899 0.02 . 1 . . . . . 123 PHE HN . 52444 2 460 . 1 . 1 123 123 PHE CA C 13 59.2609 0.1 . 1 . . . . . 123 PHE CA . 52444 2 461 . 1 . 1 123 123 PHE CB C 13 38.1194 0.1 . 1 . . . . . 123 PHE CB . 52444 2 462 . 1 . 1 123 123 PHE N N 15 120.1550 0.1 . 1 . . . . . 123 PHE N . 52444 2 463 . 1 . 1 124 124 GLU H H 1 8.7057 0.02 . 1 . . . . . 124 GLU HN . 52444 2 464 . 1 . 1 124 124 GLU CA C 13 57.8687 0.1 . 1 . . . . . 124 GLU CA . 52444 2 465 . 1 . 1 124 124 GLU CB C 13 28.4023 0.1 . 1 . . . . . 124 GLU CB . 52444 2 466 . 1 . 1 124 124 GLU N N 15 122.0961 0.1 . 1 . . . . . 124 GLU N . 52444 2 467 . 1 . 1 125 125 GLY H H 1 8.3491 0.02 . 1 . . . . . 125 GLY HN . 52444 2 468 . 1 . 1 125 125 GLY CA C 13 46.1102 0.1 . 1 . . . . . 125 GLY CA . 52444 2 469 . 1 . 1 125 125 GLY N N 15 108.3479 0.1 . 1 . . . . . 125 GLY N . 52444 2 470 . 1 . 1 126 126 PHE H H 1 8.4908 0.02 . 1 . . . . . 126 PHE HN . 52444 2 471 . 1 . 1 126 126 PHE CA C 13 60.8455 0.1 . 1 . . . . . 126 PHE CA . 52444 2 472 . 1 . 1 126 126 PHE CB C 13 37.0734 0.1 . 1 . . . . . 126 PHE CB . 52444 2 473 . 1 . 1 126 126 PHE N N 15 121.2738 0.1 . 1 . . . . . 126 PHE N . 52444 2 474 . 1 . 1 127 127 GLN H H 1 8.2043 0.02 . 1 . . . . . 127 GLN HN . 52444 2 475 . 1 . 1 127 127 GLN CA C 13 58.8494 0.1 . 1 . . . . . 127 GLN CA . 52444 2 476 . 1 . 1 127 127 GLN CB C 13 26.7954 0.1 . 1 . . . . . 127 GLN CB . 52444 2 477 . 1 . 1 127 127 GLN N N 15 120.2293 0.1 . 1 . . . . . 127 GLN N . 52444 2 478 . 1 . 1 128 128 ALA H H 1 7.3899 0.02 . 1 . . . . . 128 ALA HN . 52444 2 479 . 1 . 1 128 128 ALA CA C 13 53.7025 0.1 . 1 . . . . . 128 ALA CA . 52444 2 480 . 1 . 1 128 128 ALA CB C 13 17.4649 0.1 . 1 . . . . . 128 ALA CB . 52444 2 481 . 1 . 1 128 128 ALA N N 15 119.9176 0.1 . 1 . . . . . 128 ALA N . 52444 2 482 . 1 . 1 129 129 ILE H H 1 7.3187 0.02 . 1 . . . . . 129 ILE HN . 52444 2 483 . 1 . 1 129 129 ILE CA C 13 65.7585 0.1 . 1 . . . . . 129 ILE CA . 52444 2 484 . 1 . 1 129 129 ILE CB C 13 36.7740 0.1 . 1 . . . . . 129 ILE CB . 52444 2 485 . 1 . 1 129 129 ILE N N 15 119.1673 0.1 . 1 . . . . . 129 ILE N . 52444 2 486 . 1 . 1 130 130 PHE H H 1 8.0311 0.02 . 1 . . . . . 130 PHE HN . 52444 2 487 . 1 . 1 130 130 PHE CA C 13 58.7893 0.1 . 1 . . . . . 130 PHE CA . 52444 2 488 . 1 . 1 130 130 PHE CB C 13 37.3399 0.1 . 1 . . . . . 130 PHE CB . 52444 2 489 . 1 . 1 130 130 PHE N N 15 112.8769 0.1 . 1 . . . . . 130 PHE N . 52444 2 490 . 1 . 1 131 131 THR H H 1 7.2789 0.02 . 1 . . . . . 131 THR HN . 52444 2 491 . 1 . 1 131 131 THR CA C 13 61.1177 0.1 . 1 . . . . . 131 THR CA . 52444 2 492 . 1 . 1 131 131 THR CB C 13 69.2777 0.1 . 1 . . . . . 131 THR CB . 52444 2 493 . 1 . 1 131 131 THR N N 15 108.2675 0.1 . 1 . . . . . 131 THR N . 52444 2 494 . 1 . 1 132 132 GLU H H 1 7.1753 0.02 . 1 . . . . . 132 GLU HN . 52444 2 495 . 1 . 1 132 132 GLU CA C 13 51.8509 0.1 . 1 . . . . . 132 GLU CA . 52444 2 496 . 1 . 1 132 132 GLU CB C 13 29.5145 0.1 . 1 . . . . . 132 GLU CB . 52444 2 497 . 1 . 1 132 132 GLU N N 15 128.0141 0.1 . 1 . . . . . 132 GLU N . 52444 2 498 . 1 . 1 133 133 PRO CA C 13 64.0273 0.1 . 1 . . . . . 133 PRO CA . 52444 2 499 . 1 . 1 133 133 PRO CB C 13 31.4755 0.1 . 1 . . . . . 133 PRO CB . 52444 2 500 . 1 . 1 134 134 ASP H H 1 9.6762 0.02 . 1 . . . . . 134 ASP HN . 52444 2 501 . 1 . 1 134 134 ASP CA C 13 53.3227 0.1 . 1 . . . . . 134 ASP CA . 52444 2 502 . 1 . 1 134 134 ASP CB C 13 42.0277 0.1 . 1 . . . . . 134 ASP CB . 52444 2 503 . 1 . 1 134 134 ASP N N 15 123.3777 0.1 . 1 . . . . . 134 ASP N . 52444 2 504 . 1 . 1 135 135 GLY H H 1 9.4740 0.02 . 1 . . . . . 135 GLY HN . 52444 2 505 . 1 . 1 135 135 GLY CA C 13 47.7405 0.1 . 1 . . . . . 135 GLY CA . 52444 2 506 . 1 . 1 135 135 GLY N N 15 117.0734 0.1 . 1 . . . . . 135 GLY N . 52444 2 507 . 1 . 1 136 136 GLU H H 1 8.2398 0.02 . 1 . . . . . 136 GLU HN . 52444 2 508 . 1 . 1 136 136 GLU CA C 13 59.0044 0.1 . 1 . . . . . 136 GLU CA . 52444 2 509 . 1 . 1 136 136 GLU CB C 13 27.1999 0.1 . 1 . . . . . 136 GLU CB . 52444 2 510 . 1 . 1 136 136 GLU N N 15 121.6587 0.1 . 1 . . . . . 136 GLU N . 52444 2 511 . 1 . 1 137 137 ALA H H 1 8.0554 0.02 . 1 . . . . . 137 ALA HN . 52444 2 512 . 1 . 1 137 137 ALA CA C 13 54.4543 0.1 . 1 . . . . . 137 ALA CA . 52444 2 513 . 1 . 1 137 137 ALA CB C 13 16.9408 0.1 . 1 . . . . . 137 ALA CB . 52444 2 514 . 1 . 1 137 137 ALA N N 15 123.7686 0.1 . 1 . . . . . 137 ALA N . 52444 2 515 . 1 . 1 138 138 ARG H H 1 8.6803 0.02 . 1 . . . . . 138 ARG HN . 52444 2 516 . 1 . 1 138 138 ARG CA C 13 61.8706 0.1 . 1 . . . . . 138 ARG CA . 52444 2 517 . 1 . 1 138 138 ARG CB C 13 29.6463 0.1 . 1 . . . . . 138 ARG CB . 52444 2 518 . 1 . 1 138 138 ARG N N 15 121.0987 0.1 . 1 . . . . . 138 ARG N . 52444 2 519 . 1 . 1 139 139 SER H H 1 8.6926 0.02 . 1 . . . . . 139 SER HN . 52444 2 520 . 1 . 1 139 139 SER CA C 13 61.8066 0.1 . 1 . . . . . 139 SER CA . 52444 2 521 . 1 . 1 139 139 SER N N 15 116.5624 0.1 . 1 . . . . . 139 SER N . 52444 2 522 . 1 . 1 140 140 MET CA C 13 58.0167 0.1 . 1 . . . . . 140 MET CA . 52444 2 523 . 1 . 1 140 140 MET CB C 13 30.9489 0.1 . 1 . . . . . 140 MET CB . 52444 2 524 . 1 . 1 141 141 LEU H H 1 7.8777 0.02 . 1 . . . . . 141 LEU HN . 52444 2 525 . 1 . 1 141 141 LEU CA C 13 57.4735 0.1 . 1 . . . . . 141 LEU CA . 52444 2 526 . 1 . 1 141 141 LEU CB C 13 41.0743 0.1 . 1 . . . . . 141 LEU CB . 52444 2 527 . 1 . 1 141 141 LEU N N 15 120.3768 0.1 . 1 . . . . . 141 LEU N . 52444 2 528 . 1 . 1 142 142 LEU H H 1 8.1870 0.02 . 1 . . . . . 142 LEU HN . 52444 2 529 . 1 . 1 142 142 LEU CA C 13 57.3996 0.1 . 1 . . . . . 142 LEU CA . 52444 2 530 . 1 . 1 142 142 LEU CB C 13 38.5197 0.1 . 1 . . . . . 142 LEU CB . 52444 2 531 . 1 . 1 142 142 LEU N N 15 122.3449 0.1 . 1 . . . . . 142 LEU N . 52444 2 532 . 1 . 1 143 143 LEU H H 1 8.2126 0.02 . 1 . . . . . 143 LEU HN . 52444 2 533 . 1 . 1 143 143 LEU CA C 13 58.2363 0.1 . 1 . . . . . 143 LEU CA . 52444 2 534 . 1 . 1 143 143 LEU CB C 13 38.9390 0.1 . 1 . . . . . 143 LEU CB . 52444 2 535 . 1 . 1 143 143 LEU N N 15 119.1630 0.1 . 1 . . . . . 143 LEU N . 52444 2 536 . 1 . 1 144 144 ASN H H 1 7.6022 0.02 . 1 . . . . . 144 ASN HN . 52444 2 537 . 1 . 1 144 144 ASN CA C 13 55.5185 0.1 . 1 . . . . . 144 ASN CA . 52444 2 538 . 1 . 1 144 144 ASN CB C 13 37.6385 0.1 . 1 . . . . . 144 ASN CB . 52444 2 539 . 1 . 1 144 144 ASN N N 15 116.8156 0.1 . 1 . . . . . 144 ASN N . 52444 2 540 . 1 . 1 145 145 LEU H H 1 7.9388 0.02 . 1 . . . . . 145 LEU HN . 52444 2 541 . 1 . 1 145 145 LEU CA C 13 57.5842 0.1 . 1 . . . . . 145 LEU CA . 52444 2 542 . 1 . 1 145 145 LEU CB C 13 40.7952 0.1 . 1 . . . . . 145 LEU CB . 52444 2 543 . 1 . 1 145 145 LEU N N 15 122.2851 0.1 . 1 . . . . . 145 LEU N . 52444 2 544 . 1 . 1 146 146 ILE H H 1 8.6180 0.02 . 1 . . . . . 146 ILE HN . 52444 2 545 . 1 . 1 146 146 ILE CA C 13 65.5108 0.1 . 1 . . . . . 146 ILE CA . 52444 2 546 . 1 . 1 146 146 ILE CB C 13 36.8957 0.1 . 1 . . . . . 146 ILE CB . 52444 2 547 . 1 . 1 146 146 ILE N N 15 118.2557 0.1 . 1 . . . . . 146 ILE N . 52444 2 548 . 1 . 1 147 147 ASN H H 1 7.5803 0.02 . 1 . . . . . 147 ASN HN . 52444 2 549 . 1 . 1 147 147 ASN CA C 13 55.6237 0.1 . 1 . . . . . 147 ASN CA . 52444 2 550 . 1 . 1 147 147 ASN CB C 13 37.9760 0.1 . 1 . . . . . 147 ASN CB . 52444 2 551 . 1 . 1 147 147 ASN N N 15 116.9529 0.1 . 1 . . . . . 147 ASN N . 52444 2 552 . 1 . 1 148 148 LYS H H 1 7.9303 0.02 . 1 . . . . . 148 LYS HN . 52444 2 553 . 1 . 1 148 148 LYS CA C 13 58.3001 0.1 . 1 . . . . . 148 LYS CA . 52444 2 554 . 1 . 1 148 148 LYS CB C 13 31.4001 0.1 . 1 . . . . . 148 LYS CB . 52444 2 555 . 1 . 1 148 148 LYS N N 15 119.1829 0.1 . 1 . . . . . 148 LYS N . 52444 2 556 . 1 . 1 149 149 GLU H H 1 8.3608 0.02 . 1 . . . . . 149 GLU HN . 52444 2 557 . 1 . 1 149 149 GLU CA C 13 57.4015 0.1 . 1 . . . . . 149 GLU CA . 52444 2 558 . 1 . 1 149 149 GLU CB C 13 28.7127 0.1 . 1 . . . . . 149 GLU CB . 52444 2 559 . 1 . 1 149 149 GLU N N 15 119.5440 0.1 . 1 . . . . . 149 GLU N . 52444 2 560 . 1 . 1 150 150 ILE H H 1 8.3668 0.02 . 1 . . . . . 150 ILE HN . 52444 2 561 . 1 . 1 150 150 ILE CA C 13 63.8994 0.1 . 1 . . . . . 150 ILE CA . 52444 2 562 . 1 . 1 150 150 ILE CB C 13 37.0184 0.1 . 1 . . . . . 150 ILE CB . 52444 2 563 . 1 . 1 150 150 ILE N N 15 122.3866 0.1 . 1 . . . . . 150 ILE N . 52444 2 564 . 1 . 1 151 151 LYS H H 1 8.0543 0.02 . 1 . . . . . 151 LYS HN . 52444 2 565 . 1 . 1 151 151 LYS CA C 13 57.7217 0.1 . 1 . . . . . 151 LYS CA . 52444 2 566 . 1 . 1 151 151 LYS CB C 13 31.2449 0.1 . 1 . . . . . 151 LYS CB . 52444 2 567 . 1 . 1 151 151 LYS N N 15 121.3076 0.1 . 1 . . . . . 151 LYS N . 52444 2 568 . 1 . 1 152 152 HIS H H 1 8.1374 0.02 . 1 . . . . . 152 HIS HN . 52444 2 569 . 1 . 1 152 152 HIS CA C 13 55.8602 0.1 . 1 . . . . . 152 HIS CA . 52444 2 570 . 1 . 1 152 152 HIS CB C 13 28.0708 0.1 . 1 . . . . . 152 HIS CB . 52444 2 571 . 1 . 1 152 152 HIS N N 15 117.6178 0.1 . 1 . . . . . 152 HIS N . 52444 2 572 . 1 . 1 153 153 SER H H 1 8.1639 0.02 . 1 . . . . . 153 SER HN . 52444 2 573 . 1 . 1 153 153 SER CA C 13 58.5441 0.1 . 1 . . . . . 153 SER CA . 52444 2 574 . 1 . 1 153 153 SER CB C 13 63.3552 0.1 . 1 . . . . . 153 SER CB . 52444 2 575 . 1 . 1 153 153 SER N N 15 116.3484 0.1 . 1 . . . . . 153 SER N . 52444 2 576 . 1 . 1 158 158 GLU CB C 13 28.9888 0.1 . 1 . . . . . 158 GLU CB . 52444 2 577 . 1 . 1 159 159 PHE H H 1 8.6303 0.02 . 1 . . . . . 159 PHE HN . 52444 2 578 . 1 . 1 159 159 PHE CA C 13 57.4635 0.1 . 1 . . . . . 159 PHE CA . 52444 2 579 . 1 . 1 159 159 PHE CB C 13 38.3818 0.1 . 1 . . . . . 159 PHE CB . 52444 2 580 . 1 . 1 159 159 PHE N N 15 121.2460 0.1 . 1 . . . . . 159 PHE N . 52444 2 581 . 1 . 1 160 160 ARG H H 1 8.1893 0.02 . 1 . . . . . 160 ARG HN . 52444 2 582 . 1 . 1 160 160 ARG CA C 13 55.3086 0.1 . 1 . . . . . 160 ARG CA . 52444 2 583 . 1 . 1 160 160 ARG CB C 13 29.7261 0.1 . 1 . . . . . 160 ARG CB . 52444 2 584 . 1 . 1 160 160 ARG N N 15 124.1039 0.1 . 1 . . . . . 160 ARG N . 52444 2 585 . 1 . 1 161 161 LYS H H 1 8.3832 0.02 . 1 . . . . . 161 LYS HN . 52444 2 586 . 1 . 1 161 161 LYS CA C 13 55.8963 0.1 . 1 . . . . . 161 LYS CA . 52444 2 587 . 1 . 1 161 161 LYS CB C 13 31.5635 0.1 . 1 . . . . . 161 LYS CB . 52444 2 588 . 1 . 1 161 161 LYS N N 15 124.5848 0.1 . 1 . . . . . 161 LYS N . 52444 2 589 . 1 . 1 162 162 LEU H H 1 8.1632 0.02 . 1 . . . . . 162 LEU HN . 52444 2 590 . 1 . 1 162 162 LEU CA C 13 56.2396 0.1 . 1 . . . . . 162 LEU CA . 52444 2 591 . 1 . 1 162 162 LEU CB C 13 41.6512 0.1 . 1 . . . . . 162 LEU CB . 52444 2 592 . 1 . 1 162 162 LEU N N 15 130.6419 0.1 . 1 . . . . . 162 LEU N . 52444 2 stop_ save_