data_53108 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53108 _Entry.Title ; Androgen Receptor Nt L26P ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-05-05 _Entry.Accession_date 2025-05-05 _Entry.Last_release_date 2025-05-06 _Entry.Original_release_date 2025-05-06 _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 'Nt is the N-terminal fragment of the Androgen Receptor Activation Domain.' _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 Stase Bielskute . . . 0000-0001-8510-6098 53108 2 Jesus Garcia . . . 0000-0003-2961-9790 53108 3 Xavier Salvatella . . . 0000-0002-8371-4185 53108 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53108 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 263 53108 '15N chemical shifts' 116 53108 '1H chemical shifts' 116 53108 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-01-06 . original BMRB . 53108 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53096 'Estrogen Receptor alpha Activation Domain (ERa AD)' 53108 BMRB 53097 'Glucocorticoid receptor Activation Domain (GR AD)' 53108 BMRB 53098 'Mineralocorticoid Receptor Activation Domain (MR AD)' 53108 BMRB 53099 'Mineralocorticoid Receptor Activation Domain (MR AD) 2M urea' 53108 BMRB 53100 'Androgen Receptor Tau-5* noAro' 53108 BMRB 53101 'Androgen Receptor Tau-5* A398P' 53108 BMRB 53102 'Androgen Receptor Tau-5* AAA' 53108 BMRB 53103 'Androgen Receptor Tau-5* G407A' 53108 BMRB 53104 'Androgen Receptor Tau-5* dC448' 53108 BMRB 53105 'Androgen Receptor Tau-5*' 53108 BMRB 53106 'Androgen Receptor Tau-5* C404Y' 53108 BMRB 53109 'Androgen Receptor allTau-5' 53108 BMRB 53110 'Androgen Receptor allTau-5 4G CtoS' 53108 BMRB 53111 'Androgen Receptor allTau-5 4G CtoS PP' 53108 BMRB 53112 'Progesterone Receptor Activation Domain (PR AD)' 53108 BMRB 53113 'AR Tau-5* C404S covalent dimer' 53108 BMRB 53114 'AR Tau-5* C404S C448-IAM' 53108 BMRB 53115 'AR Tau-5* (dC448) C404 - EPI-001 covalent adduct' 53108 BMRB 53116 'AR Tau-5* h2SA' 53108 BMRB 53117 'AR Tau-5* h3A' 53108 BMRB 53118 'AR Tau-5* L436P' 53108 BMRB 53119 'AR Tau-5* PP' 53108 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53108 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Oligomerization enables the selective targeting of an intrinsically disordered region by a small molecule ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science Advances' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Stase Bielskute . . . . 53108 1 2 Borja Mateos . . . . 53108 1 3 Muhammad Awawdy . . . . 53108 1 4 Carla Garcia-Cabau . . . . 53108 1 5 Henri Niskanen . . . . 53108 1 6 Carolina Sanchez-Zarzalejo . . . . 53108 1 7 Lorenzo Bracaglia . . . . 53108 1 8 Roberta Pierattelli . . . . 53108 1 9 Isabella Felli . C. . . 53108 1 10 Marta Frigole-Vivas . . . . 53108 1 11 Jesus Garcia . . . . 53108 1 12 Antoni Riera . . . . 53108 1 13 Denes Hnisz . . . . 53108 1 14 Xavier Salvatella . . . . 53108 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53108 _Assembly.ID 1 _Assembly.Name 'AR Nt L26P' _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 'AR Nt L26P' 1 $entity_1 . . yes native no no . . . 53108 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53108 _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 ; MEVQLGLGRVYPRPPSKTYR GAFQNPFQSVREVIQNPGPR HPEAASAAPPGASLLLLQQQ QQQQQQQQQQQQQQQQQQET SPRQQQQQQGEDGSPQAHRR GPTGYLVLDEEQQPSQPQSA LECHPERGCVPEPGAAVAAS KGLPQQLPAPP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 151 _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 . 53108 1 2 . GLU . 53108 1 3 . VAL . 53108 1 4 . GLN . 53108 1 5 . LEU . 53108 1 6 . GLY . 53108 1 7 . LEU . 53108 1 8 . GLY . 53108 1 9 . ARG . 53108 1 10 . VAL . 53108 1 11 . TYR . 53108 1 12 . PRO . 53108 1 13 . ARG . 53108 1 14 . PRO . 53108 1 15 . PRO . 53108 1 16 . SER . 53108 1 17 . LYS . 53108 1 18 . THR . 53108 1 19 . TYR . 53108 1 20 . ARG . 53108 1 21 . GLY . 53108 1 22 . ALA . 53108 1 23 . PHE . 53108 1 24 . GLN . 53108 1 25 . ASN . 53108 1 26 . PRO . 53108 1 27 . PHE . 53108 1 28 . GLN . 53108 1 29 . SER . 53108 1 30 . VAL . 53108 1 31 . ARG . 53108 1 32 . GLU . 53108 1 33 . VAL . 53108 1 34 . ILE . 53108 1 35 . GLN . 53108 1 36 . ASN . 53108 1 37 . PRO . 53108 1 38 . GLY . 53108 1 39 . PRO . 53108 1 40 . ARG . 53108 1 41 . HIS . 53108 1 42 . PRO . 53108 1 43 . GLU . 53108 1 44 . ALA . 53108 1 45 . ALA . 53108 1 46 . SER . 53108 1 47 . ALA . 53108 1 48 . ALA . 53108 1 49 . PRO . 53108 1 50 . PRO . 53108 1 51 . GLY . 53108 1 52 . ALA . 53108 1 53 . SER . 53108 1 54 . LEU . 53108 1 55 . LEU . 53108 1 56 . LEU . 53108 1 57 . LEU . 53108 1 58 . GLN . 53108 1 59 . GLN . 53108 1 60 . GLN . 53108 1 61 . GLN . 53108 1 62 . GLN . 53108 1 63 . GLN . 53108 1 64 . GLN . 53108 1 65 . GLN . 53108 1 66 . GLN . 53108 1 67 . GLN . 53108 1 68 . GLN . 53108 1 69 . GLN . 53108 1 70 . GLN . 53108 1 71 . GLN . 53108 1 72 . GLN . 53108 1 73 . GLN . 53108 1 74 . GLN . 53108 1 75 . GLN . 53108 1 76 . GLN . 53108 1 77 . GLN . 53108 1 78 . GLN . 53108 1 79 . GLU . 53108 1 80 . THR . 53108 1 81 . SER . 53108 1 82 . PRO . 53108 1 83 . ARG . 53108 1 84 . GLN . 53108 1 85 . GLN . 53108 1 86 . GLN . 53108 1 87 . GLN . 53108 1 88 . GLN . 53108 1 89 . GLN . 53108 1 90 . GLY . 53108 1 91 . GLU . 53108 1 92 . ASP . 53108 1 93 . GLY . 53108 1 94 . SER . 53108 1 95 . PRO . 53108 1 96 . GLN . 53108 1 97 . ALA . 53108 1 98 . HIS . 53108 1 99 . ARG . 53108 1 100 . ARG . 53108 1 101 . GLY . 53108 1 102 . PRO . 53108 1 103 . THR . 53108 1 104 . GLY . 53108 1 105 . TYR . 53108 1 106 . LEU . 53108 1 107 . VAL . 53108 1 108 . LEU . 53108 1 109 . ASP . 53108 1 110 . GLU . 53108 1 111 . GLU . 53108 1 112 . GLN . 53108 1 113 . GLN . 53108 1 114 . PRO . 53108 1 115 . SER . 53108 1 116 . GLN . 53108 1 117 . PRO . 53108 1 118 . GLN . 53108 1 119 . SER . 53108 1 120 . ALA . 53108 1 121 . LEU . 53108 1 122 . GLU . 53108 1 123 . CYS . 53108 1 124 . HIS . 53108 1 125 . PRO . 53108 1 126 . GLU . 53108 1 127 . ARG . 53108 1 128 . GLY . 53108 1 129 . CYS . 53108 1 130 . VAL . 53108 1 131 . PRO . 53108 1 132 . GLU . 53108 1 133 . PRO . 53108 1 134 . GLY . 53108 1 135 . ALA . 53108 1 136 . ALA . 53108 1 137 . VAL . 53108 1 138 . ALA . 53108 1 139 . ALA . 53108 1 140 . SER . 53108 1 141 . LYS . 53108 1 142 . GLY . 53108 1 143 . LEU . 53108 1 144 . PRO . 53108 1 145 . GLN . 53108 1 146 . GLN . 53108 1 147 . LEU . 53108 1 148 . PRO . 53108 1 149 . ALA . 53108 1 150 . PRO . 53108 1 151 . PRO . 53108 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 53108 1 . GLU 2 2 53108 1 . VAL 3 3 53108 1 . GLN 4 4 53108 1 . LEU 5 5 53108 1 . GLY 6 6 53108 1 . LEU 7 7 53108 1 . GLY 8 8 53108 1 . ARG 9 9 53108 1 . VAL 10 10 53108 1 . TYR 11 11 53108 1 . PRO 12 12 53108 1 . ARG 13 13 53108 1 . PRO 14 14 53108 1 . PRO 15 15 53108 1 . SER 16 16 53108 1 . LYS 17 17 53108 1 . THR 18 18 53108 1 . TYR 19 19 53108 1 . ARG 20 20 53108 1 . GLY 21 21 53108 1 . ALA 22 22 53108 1 . PHE 23 23 53108 1 . GLN 24 24 53108 1 . ASN 25 25 53108 1 . PRO 26 26 53108 1 . PHE 27 27 53108 1 . GLN 28 28 53108 1 . SER 29 29 53108 1 . VAL 30 30 53108 1 . ARG 31 31 53108 1 . GLU 32 32 53108 1 . VAL 33 33 53108 1 . ILE 34 34 53108 1 . GLN 35 35 53108 1 . ASN 36 36 53108 1 . PRO 37 37 53108 1 . GLY 38 38 53108 1 . PRO 39 39 53108 1 . ARG 40 40 53108 1 . HIS 41 41 53108 1 . PRO 42 42 53108 1 . GLU 43 43 53108 1 . ALA 44 44 53108 1 . ALA 45 45 53108 1 . SER 46 46 53108 1 . ALA 47 47 53108 1 . ALA 48 48 53108 1 . PRO 49 49 53108 1 . PRO 50 50 53108 1 . GLY 51 51 53108 1 . ALA 52 52 53108 1 . SER 53 53 53108 1 . LEU 54 54 53108 1 . LEU 55 55 53108 1 . LEU 56 56 53108 1 . LEU 57 57 53108 1 . GLN 58 58 53108 1 . GLN 59 59 53108 1 . GLN 60 60 53108 1 . GLN 61 61 53108 1 . GLN 62 62 53108 1 . GLN 63 63 53108 1 . GLN 64 64 53108 1 . GLN 65 65 53108 1 . GLN 66 66 53108 1 . GLN 67 67 53108 1 . GLN 68 68 53108 1 . GLN 69 69 53108 1 . GLN 70 70 53108 1 . GLN 71 71 53108 1 . GLN 72 72 53108 1 . GLN 73 73 53108 1 . GLN 74 74 53108 1 . GLN 75 75 53108 1 . GLN 76 76 53108 1 . GLN 77 77 53108 1 . GLN 78 78 53108 1 . GLU 79 79 53108 1 . THR 80 80 53108 1 . SER 81 81 53108 1 . PRO 82 82 53108 1 . ARG 83 83 53108 1 . GLN 84 84 53108 1 . GLN 85 85 53108 1 . GLN 86 86 53108 1 . GLN 87 87 53108 1 . GLN 88 88 53108 1 . GLN 89 89 53108 1 . GLY 90 90 53108 1 . GLU 91 91 53108 1 . ASP 92 92 53108 1 . GLY 93 93 53108 1 . SER 94 94 53108 1 . PRO 95 95 53108 1 . GLN 96 96 53108 1 . ALA 97 97 53108 1 . HIS 98 98 53108 1 . ARG 99 99 53108 1 . ARG 100 100 53108 1 . GLY 101 101 53108 1 . PRO 102 102 53108 1 . THR 103 103 53108 1 . GLY 104 104 53108 1 . TYR 105 105 53108 1 . LEU 106 106 53108 1 . VAL 107 107 53108 1 . LEU 108 108 53108 1 . ASP 109 109 53108 1 . GLU 110 110 53108 1 . GLU 111 111 53108 1 . GLN 112 112 53108 1 . GLN 113 113 53108 1 . PRO 114 114 53108 1 . SER 115 115 53108 1 . GLN 116 116 53108 1 . PRO 117 117 53108 1 . GLN 118 118 53108 1 . SER 119 119 53108 1 . ALA 120 120 53108 1 . LEU 121 121 53108 1 . GLU 122 122 53108 1 . CYS 123 123 53108 1 . HIS 124 124 53108 1 . PRO 125 125 53108 1 . GLU 126 126 53108 1 . ARG 127 127 53108 1 . GLY 128 128 53108 1 . CYS 129 129 53108 1 . VAL 130 130 53108 1 . PRO 131 131 53108 1 . GLU 132 132 53108 1 . PRO 133 133 53108 1 . GLY 134 134 53108 1 . ALA 135 135 53108 1 . ALA 136 136 53108 1 . VAL 137 137 53108 1 . ALA 138 138 53108 1 . ALA 139 139 53108 1 . SER 140 140 53108 1 . LYS 141 141 53108 1 . GLY 142 142 53108 1 . LEU 143 143 53108 1 . PRO 144 144 53108 1 . GLN 145 145 53108 1 . GLN 146 146 53108 1 . LEU 147 147 53108 1 . PRO 148 148 53108 1 . ALA 149 149 53108 1 . PRO 150 150 53108 1 . PRO 151 151 53108 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 53108 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53108 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 53108 _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 . . . plasmid . . pDEST17 . . . 53108 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53108 _Sample.ID 1 _Sample.Name 'AR Nt L26P' _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 'AR Nt L26P' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 150 . . uM . . . . 53108 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 53108 1 3 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 53108 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 53108 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 53108 1 6 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 53108 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 53108 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'assignment conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 53108 1 pH 7.4 . pH 53108 1 pressure 1 . atm 53108 1 temperature 278 . K 53108 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53108 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53108 1 'data analysis' . 53108 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53108 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53108 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53108 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53108 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 53108 _Software.ID 4 _Software.Type . _Software.Name qMDD _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53108 4 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 53108 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 53108 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53108 1 2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53108 1 3 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53108 1 4 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53108 1 5 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53108 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 53108 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'AR Nt L26P' _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 internal indirect . . . . . . 53108 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 53108 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 53108 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 53108 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'AR Nt L26P' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53108 1 2 '3D HNCO' . . . 53108 1 3 '3D HNCA' . . . 53108 1 4 '3D HN(CA)CO' . . . 53108 1 5 '3D HNCACB' . . . 53108 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 . . 53108 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 13 176.228 0.000 . 1 . . . . . 1 MET C . 53108 1 2 . 1 . 1 1 1 MET CA C 13 55.557 0.000 . 1 . . . . . 1 MET CA . 53108 1 3 . 1 . 1 2 2 GLU H H 1 8.859 0.001 . 1 . . . . . 2 GLU H . 53108 1 4 . 1 . 1 2 2 GLU C C 13 176.594 0.004 . 1 . . . . . 2 GLU C . 53108 1 5 . 1 . 1 2 2 GLU CA C 13 56.878 0.000 . 1 . . . . . 2 GLU CA . 53108 1 6 . 1 . 1 2 2 GLU N N 15 123.178 0.005 . 1 . . . . . 2 GLU N . 53108 1 7 . 1 . 1 3 3 VAL H H 1 8.377 0.002 . 1 . . . . . 3 VAL H . 53108 1 8 . 1 . 1 3 3 VAL C C 13 176.205 0.006 . 1 . . . . . 3 VAL C . 53108 1 9 . 1 . 1 3 3 VAL CA C 13 62.616 0.000 . 1 . . . . . 3 VAL CA . 53108 1 10 . 1 . 1 3 3 VAL N N 15 122.397 0.004 . 1 . . . . . 3 VAL N . 53108 1 11 . 1 . 1 4 4 GLN H H 1 8.597 0.001 . 1 . . . . . 4 GLN H . 53108 1 12 . 1 . 1 4 4 GLN C C 13 175.943 0.006 . 1 . . . . . 4 GLN C . 53108 1 13 . 1 . 1 4 4 GLN CA C 13 55.598 0.000 . 1 . . . . . 4 GLN CA . 53108 1 14 . 1 . 1 4 4 GLN N N 15 124.759 0.005 . 1 . . . . . 4 GLN N . 53108 1 15 . 1 . 1 5 5 LEU H H 1 8.525 0.001 . 1 . . . . . 5 LEU H . 53108 1 16 . 1 . 1 5 5 LEU C C 13 178.020 0.000 . 1 . . . . . 5 LEU C . 53108 1 17 . 1 . 1 5 5 LEU CA C 13 55.335 0.000 . 1 . . . . . 5 LEU CA . 53108 1 18 . 1 . 1 5 5 LEU N N 15 124.287 0.012 . 1 . . . . . 5 LEU N . 53108 1 19 . 1 . 1 6 6 GLY H H 1 8.551 0.001 . 1 . . . . . 6 GLY H . 53108 1 20 . 1 . 1 6 6 GLY C C 13 174.363 0.008 . 1 . . . . . 6 GLY C . 53108 1 21 . 1 . 1 6 6 GLY CA C 13 45.376 0.000 . 1 . . . . . 6 GLY CA . 53108 1 22 . 1 . 1 6 6 GLY N N 15 109.559 0.011 . 1 . . . . . 6 GLY N . 53108 1 23 . 1 . 1 7 7 LEU H H 1 8.275 0.002 . 1 . . . . . 7 LEU H . 53108 1 24 . 1 . 1 7 7 LEU C C 13 178.153 0.004 . 1 . . . . . 7 LEU C . 53108 1 25 . 1 . 1 7 7 LEU CA C 13 55.344 0.000 . 1 . . . . . 7 LEU CA . 53108 1 26 . 1 . 1 7 7 LEU N N 15 121.576 0.009 . 1 . . . . . 7 LEU N . 53108 1 27 . 1 . 1 8 8 GLY H H 1 8.590 0.002 . 1 . . . . . 8 GLY H . 53108 1 28 . 1 . 1 8 8 GLY C C 13 173.858 0.001 . 1 . . . . . 8 GLY C . 53108 1 29 . 1 . 1 8 8 GLY CA C 13 45.217 0.000 . 1 . . . . . 8 GLY CA . 53108 1 30 . 1 . 1 8 8 GLY N N 15 109.655 0.007 . 1 . . . . . 8 GLY N . 53108 1 31 . 1 . 1 9 9 ARG H H 1 8.137 0.001 . 1 . . . . . 9 ARG H . 53108 1 32 . 1 . 1 9 9 ARG C C 13 175.702 0.004 . 1 . . . . . 9 ARG C . 53108 1 33 . 1 . 1 9 9 ARG CA C 13 55.943 0.000 . 1 . . . . . 9 ARG CA . 53108 1 34 . 1 . 1 9 9 ARG N N 15 120.726 0.005 . 1 . . . . . 9 ARG N . 53108 1 35 . 1 . 1 10 10 VAL H H 1 8.262 0.001 . 1 . . . . . 10 VAL H . 53108 1 36 . 1 . 1 10 10 VAL C C 13 175.560 0.004 . 1 . . . . . 10 VAL C . 53108 1 37 . 1 . 1 10 10 VAL CA C 13 61.753 0.000 . 1 . . . . . 10 VAL CA . 53108 1 38 . 1 . 1 10 10 VAL N N 15 122.134 0.005 . 1 . . . . . 10 VAL N . 53108 1 39 . 1 . 1 11 11 TYR H H 1 8.584 0.002 . 1 . . . . . 11 TYR H . 53108 1 40 . 1 . 1 11 11 TYR C C 13 173.727 0.000 . 1 . . . . . 11 TYR C . 53108 1 41 . 1 . 1 11 11 TYR CA C 13 55.772 0.000 . 1 . . . . . 11 TYR CA . 53108 1 42 . 1 . 1 11 11 TYR N N 15 126.290 0.008 . 1 . . . . . 11 TYR N . 53108 1 43 . 1 . 1 15 15 PRO C C 13 176.969 0.000 . 1 . . . . . 15 PRO C . 53108 1 44 . 1 . 1 16 16 SER H H 1 8.594 0.003 . 1 . . . . . 16 SER H . 53108 1 45 . 1 . 1 16 16 SER CA C 13 58.313 0.000 . 1 . . . . . 16 SER CA . 53108 1 46 . 1 . 1 16 16 SER N N 15 116.674 0.007 . 1 . . . . . 16 SER N . 53108 1 47 . 1 . 1 17 17 LYS C C 13 176.629 0.000 . 1 . . . . . 17 LYS C . 53108 1 48 . 1 . 1 18 18 THR H H 1 8.241 0.002 . 1 . . . . . 18 THR H . 53108 1 49 . 1 . 1 18 18 THR C C 13 174.036 0.000 . 1 . . . . . 18 THR C . 53108 1 50 . 1 . 1 18 18 THR CA C 13 61.734 0.019 . 1 . . . . . 18 THR CA . 53108 1 51 . 1 . 1 18 18 THR N N 15 115.134 0.004 . 1 . . . . . 18 THR N . 53108 1 52 . 1 . 1 19 19 TYR H H 1 8.385 0.003 . 1 . . . . . 19 TYR H . 53108 1 53 . 1 . 1 19 19 TYR C C 13 175.565 0.007 . 1 . . . . . 19 TYR C . 53108 1 54 . 1 . 1 19 19 TYR CA C 13 58.100 0.000 . 1 . . . . . 19 TYR CA . 53108 1 55 . 1 . 1 19 19 TYR N N 15 123.768 0.008 . 1 . . . . . 19 TYR N . 53108 1 56 . 1 . 1 20 20 ARG H H 1 8.475 0.001 . 1 . . . . . 20 ARG H . 53108 1 57 . 1 . 1 20 20 ARG C C 13 176.236 0.000 . 1 . . . . . 20 ARG C . 53108 1 58 . 1 . 1 20 20 ARG CA C 13 55.821 0.000 . 1 . . . . . 20 ARG CA . 53108 1 59 . 1 . 1 20 20 ARG N N 15 124.691 0.002 . 1 . . . . . 20 ARG N . 53108 1 60 . 1 . 1 21 21 GLY H H 1 7.763 0.003 . 1 . . . . . 21 GLY H . 53108 1 61 . 1 . 1 21 21 GLY C C 13 173.446 0.000 . 1 . . . . . 21 GLY C . 53108 1 62 . 1 . 1 21 21 GLY CA C 13 45.037 0.000 . 1 . . . . . 21 GLY CA . 53108 1 63 . 1 . 1 21 21 GLY N N 15 109.327 0.008 . 1 . . . . . 21 GLY N . 53108 1 64 . 1 . 1 22 22 ALA H H 1 8.263 0.001 . 1 . . . . . 22 ALA H . 53108 1 65 . 1 . 1 22 22 ALA C C 13 177.617 0.006 . 1 . . . . . 22 ALA C . 53108 1 66 . 1 . 1 22 22 ALA CA C 13 52.393 0.000 . 1 . . . . . 22 ALA CA . 53108 1 67 . 1 . 1 22 22 ALA N N 15 123.387 0.004 . 1 . . . . . 22 ALA N . 53108 1 68 . 1 . 1 23 23 PHE H H 1 8.350 0.002 . 1 . . . . . 23 PHE H . 53108 1 69 . 1 . 1 23 23 PHE C C 13 175.466 0.007 . 1 . . . . . 23 PHE C . 53108 1 70 . 1 . 1 23 23 PHE CA C 13 57.736 0.000 . 1 . . . . . 23 PHE CA . 53108 1 71 . 1 . 1 23 23 PHE N N 15 119.645 0.005 . 1 . . . . . 23 PHE N . 53108 1 72 . 1 . 1 24 24 GLN H H 1 8.260 0.001 . 1 . . . . . 24 GLN H . 53108 1 73 . 1 . 1 24 24 GLN C C 13 174.767 0.000 . 1 . . . . . 24 GLN C . 53108 1 74 . 1 . 1 24 24 GLN CA C 13 55.214 0.000 . 1 . . . . . 24 GLN CA . 53108 1 75 . 1 . 1 24 24 GLN N N 15 122.573 0.008 . 1 . . . . . 24 GLN N . 53108 1 76 . 1 . 1 25 25 ASN H H 1 8.532 0.002 . 1 . . . . . 25 ASN H . 53108 1 77 . 1 . 1 25 25 ASN C C 13 173.886 0.000 . 1 . . . . . 25 ASN C . 53108 1 78 . 1 . 1 25 25 ASN CA C 13 51.211 0.000 . 1 . . . . . 25 ASN CA . 53108 1 79 . 1 . 1 25 25 ASN N N 15 121.643 0.012 . 1 . . . . . 25 ASN N . 53108 1 80 . 1 . 1 26 26 PRO C C 13 176.733 0.000 . 1 . . . . . 26 PRO C . 53108 1 81 . 1 . 1 26 26 PRO CA C 13 63.539 0.000 . 1 . . . . . 26 PRO CA . 53108 1 82 . 1 . 1 27 27 PHE H H 1 8.244 0.001 . 1 . . . . . 27 PHE H . 53108 1 83 . 1 . 1 27 27 PHE C C 13 175.631 0.009 . 1 . . . . . 27 PHE C . 53108 1 84 . 1 . 1 27 27 PHE CA C 13 57.723 0.017 . 1 . . . . . 27 PHE CA . 53108 1 85 . 1 . 1 27 27 PHE N N 15 119.375 0.007 . 1 . . . . . 27 PHE N . 53108 1 86 . 1 . 1 28 28 GLN H H 1 8.037 0.001 . 1 . . . . . 28 GLN H . 53108 1 87 . 1 . 1 28 28 GLN C C 13 175.389 0.005 . 1 . . . . . 28 GLN C . 53108 1 88 . 1 . 1 28 28 GLN CA C 13 55.583 0.000 . 1 . . . . . 28 GLN CA . 53108 1 89 . 1 . 1 28 28 GLN N N 15 121.803 0.009 . 1 . . . . . 28 GLN N . 53108 1 90 . 1 . 1 29 29 SER H H 1 8.438 0.001 . 1 . . . . . 29 SER H . 53108 1 91 . 1 . 1 29 29 SER C C 13 174.545 0.000 . 1 . . . . . 29 SER C . 53108 1 92 . 1 . 1 29 29 SER CA C 13 58.414 0.023 . 1 . . . . . 29 SER CA . 53108 1 93 . 1 . 1 29 29 SER N N 15 117.898 0.007 . 1 . . . . . 29 SER N . 53108 1 94 . 1 . 1 30 30 VAL H H 1 8.321 0.001 . 1 . . . . . 30 VAL H . 53108 1 95 . 1 . 1 30 30 VAL C C 13 176.097 0.008 . 1 . . . . . 30 VAL C . 53108 1 96 . 1 . 1 30 30 VAL CA C 13 62.378 0.000 . 1 . . . . . 30 VAL CA . 53108 1 97 . 1 . 1 30 30 VAL N N 15 122.202 0.002 . 1 . . . . . 30 VAL N . 53108 1 98 . 1 . 1 31 31 ARG H H 1 8.478 0.001 . 1 . . . . . 31 ARG H . 53108 1 99 . 1 . 1 31 31 ARG C C 13 176.099 0.000 . 1 . . . . . 31 ARG C . 53108 1 100 . 1 . 1 31 31 ARG CA C 13 56.010 0.000 . 1 . . . . . 31 ARG CA . 53108 1 101 . 1 . 1 31 31 ARG N N 15 125.075 0.002 . 1 . . . . . 31 ARG N . 53108 1 102 . 1 . 1 32 32 GLU H H 1 8.508 0.001 . 1 . . . . . 32 GLU H . 53108 1 103 . 1 . 1 32 32 GLU C C 13 176.176 0.000 . 1 . . . . . 32 GLU C . 53108 1 104 . 1 . 1 32 32 GLU CA C 13 56.381 0.000 . 1 . . . . . 32 GLU CA . 53108 1 105 . 1 . 1 32 32 GLU N N 15 123.047 0.006 . 1 . . . . . 32 GLU N . 53108 1 106 . 1 . 1 33 33 VAL H H 1 8.421 0.001 . 1 . . . . . 33 VAL H . 53108 1 107 . 1 . 1 33 33 VAL C C 13 176.100 0.001 . 1 . . . . . 33 VAL C . 53108 1 108 . 1 . 1 33 33 VAL CA C 13 62.458 0.000 . 1 . . . . . 33 VAL CA . 53108 1 109 . 1 . 1 33 33 VAL N N 15 123.136 0.004 . 1 . . . . . 33 VAL N . 53108 1 110 . 1 . 1 34 34 ILE H H 1 8.426 0.001 . 1 . . . . . 34 ILE H . 53108 1 111 . 1 . 1 34 34 ILE C C 13 176.128 0.015 . 1 . . . . . 34 ILE C . 53108 1 112 . 1 . 1 34 34 ILE CA C 13 60.815 0.002 . 1 . . . . . 34 ILE CA . 53108 1 113 . 1 . 1 34 34 ILE N N 15 126.388 0.004 . 1 . . . . . 34 ILE N . 53108 1 114 . 1 . 1 35 35 GLN H H 1 8.660 0.001 . 1 . . . . . 35 GLN H . 53108 1 115 . 1 . 1 35 35 GLN C C 13 175.289 0.007 . 1 . . . . . 35 GLN C . 53108 1 116 . 1 . 1 35 35 GLN CA C 13 55.539 0.000 . 1 . . . . . 35 GLN CA . 53108 1 117 . 1 . 1 35 35 GLN N N 15 125.579 0.003 . 1 . . . . . 35 GLN N . 53108 1 118 . 1 . 1 36 36 ASN H H 1 8.706 0.003 . 1 . . . . . 36 ASN H . 53108 1 119 . 1 . 1 36 36 ASN C C 13 173.217 0.000 . 1 . . . . . 36 ASN C . 53108 1 120 . 1 . 1 36 36 ASN CA C 13 51.394 0.000 . 1 . . . . . 36 ASN CA . 53108 1 121 . 1 . 1 36 36 ASN N N 15 121.477 0.004 . 1 . . . . . 36 ASN N . 53108 1 122 . 1 . 1 37 37 PRO C C 13 177.071 0.000 . 1 . . . . . 37 PRO C . 53108 1 123 . 1 . 1 37 37 PRO CA C 13 63.407 0.000 . 1 . . . . . 37 PRO CA . 53108 1 124 . 1 . 1 38 38 GLY H H 1 8.373 0.001 . 1 . . . . . 38 GLY H . 53108 1 125 . 1 . 1 38 38 GLY C C 13 171.582 0.000 . 1 . . . . . 38 GLY C . 53108 1 126 . 1 . 1 38 38 GLY CA C 13 44.436 0.000 . 1 . . . . . 38 GLY CA . 53108 1 127 . 1 . 1 38 38 GLY N N 15 109.243 0.007 . 1 . . . . . 38 GLY N . 53108 1 128 . 1 . 1 39 39 PRO C C 13 177.004 0.000 . 1 . . . . . 39 PRO C . 53108 1 129 . 1 . 1 39 39 PRO CA C 13 62.925 0.000 . 1 . . . . . 39 PRO CA . 53108 1 130 . 1 . 1 40 40 ARG H H 1 8.579 0.001 . 1 . . . . . 40 ARG H . 53108 1 131 . 1 . 1 40 40 ARG C C 13 175.982 0.009 . 1 . . . . . 40 ARG C . 53108 1 132 . 1 . 1 40 40 ARG CA C 13 55.824 0.000 . 1 . . . . . 40 ARG CA . 53108 1 133 . 1 . 1 40 40 ARG N N 15 121.619 0.007 . 1 . . . . . 40 ARG N . 53108 1 134 . 1 . 1 41 41 HIS H H 1 8.492 0.003 . 1 . . . . . 41 HIS H . 53108 1 135 . 1 . 1 41 41 HIS C C 13 173.795 0.000 . 1 . . . . . 41 HIS C . 53108 1 136 . 1 . 1 41 41 HIS CA C 13 54.322 0.000 . 1 . . . . . 41 HIS CA . 53108 1 137 . 1 . 1 41 41 HIS N N 15 122.662 0.008 . 1 . . . . . 41 HIS N . 53108 1 138 . 1 . 1 42 42 PRO C C 13 177.069 0.000 . 1 . . . . . 42 PRO C . 53108 1 139 . 1 . 1 42 42 PRO CA C 13 63.405 0.000 . 1 . . . . . 42 PRO CA . 53108 1 140 . 1 . 1 43 43 GLU H H 1 8.916 0.002 . 1 . . . . . 43 GLU H . 53108 1 141 . 1 . 1 43 43 GLU C C 13 176.465 0.007 . 1 . . . . . 43 GLU C . 53108 1 142 . 1 . 1 43 43 GLU CA C 13 56.424 0.001 . 1 . . . . . 43 GLU CA . 53108 1 143 . 1 . 1 43 43 GLU N N 15 121.520 0.003 . 1 . . . . . 43 GLU N . 53108 1 144 . 1 . 1 44 44 ALA H H 1 8.452 0.001 . 1 . . . . . 44 ALA H . 53108 1 145 . 1 . 1 44 44 ALA C C 13 177.678 0.008 . 1 . . . . . 44 ALA C . 53108 1 146 . 1 . 1 44 44 ALA CA C 13 52.505 0.000 . 1 . . . . . 44 ALA CA . 53108 1 147 . 1 . 1 44 44 ALA N N 15 125.531 0.003 . 1 . . . . . 44 ALA N . 53108 1 148 . 1 . 1 45 45 ALA H H 1 8.458 0.001 . 1 . . . . . 45 ALA H . 53108 1 149 . 1 . 1 45 45 ALA C C 13 177.959 0.007 . 1 . . . . . 45 ALA C . 53108 1 150 . 1 . 1 45 45 ALA CA C 13 52.550 0.000 . 1 . . . . . 45 ALA CA . 53108 1 151 . 1 . 1 45 45 ALA N N 15 123.672 0.003 . 1 . . . . . 45 ALA N . 53108 1 152 . 1 . 1 46 46 SER H H 1 8.356 0.003 . 1 . . . . . 46 SER H . 53108 1 153 . 1 . 1 46 46 SER C C 13 174.141 0.002 . 1 . . . . . 46 SER C . 53108 1 154 . 1 . 1 46 46 SER CA C 13 58.215 0.000 . 1 . . . . . 46 SER CA . 53108 1 155 . 1 . 1 46 46 SER N N 15 115.230 0.005 . 1 . . . . . 46 SER N . 53108 1 156 . 1 . 1 47 47 ALA H H 1 8.377 0.001 . 1 . . . . . 47 ALA H . 53108 1 157 . 1 . 1 47 47 ALA C C 13 177.034 0.003 . 1 . . . . . 47 ALA C . 53108 1 158 . 1 . 1 47 47 ALA CA C 13 52.109 0.000 . 1 . . . . . 47 ALA CA . 53108 1 159 . 1 . 1 47 47 ALA N N 15 126.194 0.003 . 1 . . . . . 47 ALA N . 53108 1 160 . 1 . 1 48 48 ALA H H 1 8.361 0.001 . 1 . . . . . 48 ALA H . 53108 1 161 . 1 . 1 48 48 ALA C C 13 174.966 0.000 . 1 . . . . . 48 ALA C . 53108 1 162 . 1 . 1 48 48 ALA CA C 13 50.351 0.000 . 1 . . . . . 48 ALA CA . 53108 1 163 . 1 . 1 48 48 ALA N N 15 125.191 0.002 . 1 . . . . . 48 ALA N . 53108 1 164 . 1 . 1 50 50 PRO C C 13 177.813 0.000 . 1 . . . . . 50 PRO C . 53108 1 165 . 1 . 1 50 50 PRO CA C 13 63.394 0.000 . 1 . . . . . 50 PRO CA . 53108 1 166 . 1 . 1 51 51 GLY H H 1 8.646 0.001 . 1 . . . . . 51 GLY H . 53108 1 167 . 1 . 1 51 51 GLY C C 13 174.466 0.000 . 1 . . . . . 51 GLY C . 53108 1 168 . 1 . 1 51 51 GLY CA C 13 45.349 0.000 . 1 . . . . . 51 GLY CA . 53108 1 169 . 1 . 1 51 51 GLY N N 15 109.457 0.012 . 1 . . . . . 51 GLY N . 53108 1 170 . 1 . 1 52 52 ALA H H 1 8.247 0.001 . 1 . . . . . 52 ALA H . 53108 1 171 . 1 . 1 52 52 ALA C C 13 178.762 0.002 . 1 . . . . . 52 ALA C . 53108 1 172 . 1 . 1 52 52 ALA CA C 13 53.509 0.000 . 1 . . . . . 52 ALA CA . 53108 1 173 . 1 . 1 52 52 ALA N N 15 123.693 0.006 . 1 . . . . . 52 ALA N . 53108 1 174 . 1 . 1 53 53 SER H H 1 8.426 0.003 . 1 . . . . . 53 SER H . 53108 1 175 . 1 . 1 53 53 SER C C 13 175.588 0.000 . 1 . . . . . 53 SER C . 53108 1 176 . 1 . 1 53 53 SER CA C 13 59.312 0.000 . 1 . . . . . 53 SER CA . 53108 1 177 . 1 . 1 53 53 SER N N 15 114.771 0.009 . 1 . . . . . 53 SER N . 53108 1 178 . 1 . 1 54 54 LEU H H 1 8.234 0.001 . 1 . . . . . 54 LEU H . 53108 1 179 . 1 . 1 54 54 LEU C C 13 178.516 0.004 . 1 . . . . . 54 LEU C . 53108 1 180 . 1 . 1 54 54 LEU CA C 13 56.840 0.000 . 1 . . . . . 54 LEU CA . 53108 1 181 . 1 . 1 54 54 LEU N N 15 124.471 0.000 . 1 . . . . . 54 LEU N . 53108 1 182 . 1 . 1 55 55 LEU H H 1 7.994 0.002 . 1 . . . . . 55 LEU H . 53108 1 183 . 1 . 1 55 55 LEU C C 13 178.719 0.006 . 1 . . . . . 55 LEU C . 53108 1 184 . 1 . 1 55 55 LEU CA C 13 56.904 0.000 . 1 . . . . . 55 LEU CA . 53108 1 185 . 1 . 1 55 55 LEU N N 15 120.474 0.004 . 1 . . . . . 55 LEU N . 53108 1 186 . 1 . 1 56 56 LEU H H 1 7.882 0.001 . 1 . . . . . 56 LEU H . 53108 1 187 . 1 . 1 56 56 LEU C C 13 178.901 0.001 . 1 . . . . . 56 LEU C . 53108 1 188 . 1 . 1 56 56 LEU CA C 13 56.966 0.000 . 1 . . . . . 56 LEU CA . 53108 1 189 . 1 . 1 56 56 LEU N N 15 120.683 0.002 . 1 . . . . . 56 LEU N . 53108 1 190 . 1 . 1 57 57 LEU H H 1 7.987 0.001 . 1 . . . . . 57 LEU H . 53108 1 191 . 1 . 1 57 57 LEU C C 13 179.166 0.009 . 1 . . . . . 57 LEU C . 53108 1 192 . 1 . 1 57 57 LEU CA C 13 57.191 0.000 . 1 . . . . . 57 LEU CA . 53108 1 193 . 1 . 1 57 57 LEU N N 15 120.776 0.002 . 1 . . . . . 57 LEU N . 53108 1 194 . 1 . 1 58 58 GLN H H 1 8.290 0.001 . 1 . . . . . 58 GLN H . 53108 1 195 . 1 . 1 58 58 GLN C C 13 178.273 0.004 . 1 . . . . . 58 GLN C . 53108 1 196 . 1 . 1 58 58 GLN CA C 13 58.099 0.000 . 1 . . . . . 58 GLN CA . 53108 1 197 . 1 . 1 58 58 GLN N N 15 119.381 0.005 . 1 . . . . . 58 GLN N . 53108 1 198 . 1 . 1 59 59 GLN H H 1 8.331 0.001 . 1 . . . . . 59 GLN H . 53108 1 199 . 1 . 1 59 59 GLN C C 13 178.184 0.003 . 1 . . . . . 59 GLN C . 53108 1 200 . 1 . 1 59 59 GLN N N 15 120.244 0.001 . 1 . . . . . 59 GLN N . 53108 1 201 . 1 . 1 60 60 GLN H H 1 8.420 0.001 . 1 . . . . . 60 GLN H . 53108 1 202 . 1 . 1 60 60 GLN C C 13 178.134 0.008 . 1 . . . . . 60 GLN C . 53108 1 203 . 1 . 1 60 60 GLN CA C 13 57.984 0.000 . 1 . . . . . 60 GLN CA . 53108 1 204 . 1 . 1 60 60 GLN N N 15 120.280 0.007 . 1 . . . . . 60 GLN N . 53108 1 205 . 1 . 1 61 61 GLN H H 1 8.394 0.001 . 1 . . . . . 61 GLN H . 53108 1 206 . 1 . 1 61 61 GLN C C 13 177.922 0.000 . 1 . . . . . 61 GLN C . 53108 1 207 . 1 . 1 61 61 GLN CA C 13 57.974 0.000 . 1 . . . . . 61 GLN CA . 53108 1 208 . 1 . 1 61 61 GLN N N 15 120.182 0.003 . 1 . . . . . 61 GLN N . 53108 1 209 . 1 . 1 71 71 GLN C C 13 177.016 0.000 . 1 . . . . . 71 GLN C . 53108 1 210 . 1 . 1 72 72 GLN H H 1 8.405 0.002 . 1 . . . . . 72 GLN H . 53108 1 211 . 1 . 1 72 72 GLN C C 13 176.886 0.008 . 1 . . . . . 72 GLN C . 53108 1 212 . 1 . 1 72 72 GLN N N 15 120.746 0.019 . 1 . . . . . 72 GLN N . 53108 1 213 . 1 . 1 73 73 GLN H H 1 8.414 0.000 . 1 . . . . . 73 GLN H . 53108 1 214 . 1 . 1 73 73 GLN C C 13 176.773 0.002 . 1 . . . . . 73 GLN C . 53108 1 215 . 1 . 1 73 73 GLN CA C 13 56.734 0.000 . 1 . . . . . 73 GLN CA . 53108 1 216 . 1 . 1 73 73 GLN N N 15 120.803 0.008 . 1 . . . . . 73 GLN N . 53108 1 217 . 1 . 1 74 74 GLN H H 1 8.423 0.003 . 1 . . . . . 74 GLN H . 53108 1 218 . 1 . 1 74 74 GLN C C 13 176.624 0.004 . 1 . . . . . 74 GLN C . 53108 1 219 . 1 . 1 74 74 GLN CA C 13 56.633 0.000 . 1 . . . . . 74 GLN CA . 53108 1 220 . 1 . 1 74 74 GLN N N 15 120.889 0.016 . 1 . . . . . 74 GLN N . 53108 1 221 . 1 . 1 75 75 GLN H H 1 8.447 0.002 . 1 . . . . . 75 GLN H . 53108 1 222 . 1 . 1 75 75 GLN C C 13 176.475 0.001 . 1 . . . . . 75 GLN C . 53108 1 223 . 1 . 1 75 75 GLN CA C 13 56.426 0.000 . 1 . . . . . 75 GLN CA . 53108 1 224 . 1 . 1 75 75 GLN N N 15 121.130 0.007 . 1 . . . . . 75 GLN N . 53108 1 225 . 1 . 1 76 76 GLN H H 1 8.481 0.001 . 1 . . . . . 76 GLN H . 53108 1 226 . 1 . 1 76 76 GLN C C 13 176.387 0.007 . 1 . . . . . 76 GLN C . 53108 1 227 . 1 . 1 76 76 GLN CA C 13 56.310 0.000 . 1 . . . . . 76 GLN CA . 53108 1 228 . 1 . 1 76 76 GLN N N 15 121.278 0.003 . 1 . . . . . 76 GLN N . 53108 1 229 . 1 . 1 77 77 GLN H H 1 8.512 0.000 . 1 . . . . . 77 GLN H . 53108 1 230 . 1 . 1 77 77 GLN C C 13 176.158 0.000 . 1 . . . . . 77 GLN C . 53108 1 231 . 1 . 1 77 77 GLN CA C 13 56.067 0.000 . 1 . . . . . 77 GLN CA . 53108 1 232 . 1 . 1 77 77 GLN N N 15 121.573 0.009 . 1 . . . . . 77 GLN N . 53108 1 233 . 1 . 1 78 78 GLN H H 1 8.515 0.000 . 1 . . . . . 78 GLN H . 53108 1 234 . 1 . 1 78 78 GLN C C 13 176.173 0.000 . 1 . . . . . 78 GLN C . 53108 1 235 . 1 . 1 78 78 GLN CA C 13 56.060 0.000 . 1 . . . . . 78 GLN CA . 53108 1 236 . 1 . 1 78 78 GLN N N 15 121.570 0.005 . 1 . . . . . 78 GLN N . 53108 1 237 . 1 . 1 79 79 GLU H H 1 8.622 0.002 . 1 . . . . . 79 GLU H . 53108 1 238 . 1 . 1 79 79 GLU C C 13 176.762 0.003 . 1 . . . . . 79 GLU C . 53108 1 239 . 1 . 1 79 79 GLU CA C 13 56.669 0.000 . 1 . . . . . 79 GLU CA . 53108 1 240 . 1 . 1 79 79 GLU N N 15 122.515 0.004 . 1 . . . . . 79 GLU N . 53108 1 241 . 1 . 1 80 80 THR H H 1 8.373 0.002 . 1 . . . . . 80 THR H . 53108 1 242 . 1 . 1 80 80 THR C C 13 174.466 0.011 . 1 . . . . . 80 THR C . 53108 1 243 . 1 . 1 80 80 THR CA C 13 61.846 0.000 . 1 . . . . . 80 THR CA . 53108 1 244 . 1 . 1 80 80 THR N N 15 115.376 0.013 . 1 . . . . . 80 THR N . 53108 1 245 . 1 . 1 81 81 SER H H 1 8.448 0.003 . 1 . . . . . 81 SER H . 53108 1 246 . 1 . 1 81 81 SER C C 13 172.624 0.000 . 1 . . . . . 81 SER C . 53108 1 247 . 1 . 1 81 81 SER CA C 13 56.565 0.000 . 1 . . . . . 81 SER CA . 53108 1 248 . 1 . 1 81 81 SER N N 15 119.809 0.003 . 1 . . . . . 81 SER N . 53108 1 249 . 1 . 1 82 82 PRO C C 13 177.174 0.000 . 1 . . . . . 82 PRO C . 53108 1 250 . 1 . 1 82 82 PRO CA C 13 63.400 0.000 . 1 . . . . . 82 PRO CA . 53108 1 251 . 1 . 1 83 83 ARG H H 1 8.544 0.002 . 1 . . . . . 83 ARG H . 53108 1 252 . 1 . 1 83 83 ARG C C 13 176.686 0.000 . 1 . . . . . 83 ARG C . 53108 1 253 . 1 . 1 83 83 ARG CA C 13 56.351 0.000 . 1 . . . . . 83 ARG CA . 53108 1 254 . 1 . 1 83 83 ARG N N 15 121.413 0.011 . 1 . . . . . 83 ARG N . 53108 1 255 . 1 . 1 84 84 GLN C C 13 176.198 0.000 . 1 . . . . . 84 GLN C . 53108 1 256 . 1 . 1 85 85 GLN H H 1 8.593 0.000 . 1 . . . . . 85 GLN H . 53108 1 257 . 1 . 1 85 85 GLN C C 13 176.135 0.000 . 1 . . . . . 85 GLN C . 53108 1 258 . 1 . 1 85 85 GLN CA C 13 56.055 0.000 . 1 . . . . . 85 GLN CA . 53108 1 259 . 1 . 1 85 85 GLN N N 15 121.993 0.002 . 1 . . . . . 85 GLN N . 53108 1 260 . 1 . 1 86 86 GLN H H 1 8.587 0.001 . 1 . . . . . 86 GLN H . 53108 1 261 . 1 . 1 86 86 GLN C C 13 176.106 0.001 . 1 . . . . . 86 GLN C . 53108 1 262 . 1 . 1 86 86 GLN CA C 13 56.038 0.000 . 1 . . . . . 86 GLN CA . 53108 1 263 . 1 . 1 86 86 GLN N N 15 121.848 0.006 . 1 . . . . . 86 GLN N . 53108 1 264 . 1 . 1 87 87 GLN H H 1 8.602 0.002 . 1 . . . . . 87 GLN H . 53108 1 265 . 1 . 1 87 87 GLN C C 13 176.071 0.006 . 1 . . . . . 87 GLN C . 53108 1 266 . 1 . 1 87 87 GLN CA C 13 56.051 0.000 . 1 . . . . . 87 GLN CA . 53108 1 267 . 1 . 1 87 87 GLN N N 15 122.029 0.007 . 1 . . . . . 87 GLN N . 53108 1 268 . 1 . 1 88 88 GLN H H 1 8.648 0.001 . 1 . . . . . 88 GLN H . 53108 1 269 . 1 . 1 88 88 GLN C C 13 175.939 0.006 . 1 . . . . . 88 GLN C . 53108 1 270 . 1 . 1 88 88 GLN CA C 13 55.910 0.000 . 1 . . . . . 88 GLN CA . 53108 1 271 . 1 . 1 88 88 GLN N N 15 122.228 0.001 . 1 . . . . . 88 GLN N . 53108 1 272 . 1 . 1 89 89 GLN H H 1 8.665 0.003 . 1 . . . . . 89 GLN H . 53108 1 273 . 1 . 1 89 89 GLN C C 13 176.477 0.008 . 1 . . . . . 89 GLN C . 53108 1 274 . 1 . 1 89 89 GLN CA C 13 55.930 0.008 . 1 . . . . . 89 GLN CA . 53108 1 275 . 1 . 1 89 89 GLN N N 15 122.230 0.003 . 1 . . . . . 89 GLN N . 53108 1 276 . 1 . 1 90 90 GLY H H 1 8.614 0.001 . 1 . . . . . 90 GLY H . 53108 1 277 . 1 . 1 90 90 GLY C C 13 174.264 0.007 . 1 . . . . . 90 GLY C . 53108 1 278 . 1 . 1 90 90 GLY CA C 13 45.100 0.000 . 1 . . . . . 90 GLY CA . 53108 1 279 . 1 . 1 90 90 GLY N N 15 110.603 0.002 . 1 . . . . . 90 GLY N . 53108 1 280 . 1 . 1 91 91 GLU H H 1 8.509 0.001 . 1 . . . . . 91 GLU H . 53108 1 281 . 1 . 1 91 91 GLU C C 13 176.596 0.005 . 1 . . . . . 91 GLU C . 53108 1 282 . 1 . 1 91 91 GLU CA C 13 56.558 0.000 . 1 . . . . . 91 GLU CA . 53108 1 283 . 1 . 1 91 91 GLU N N 15 120.816 0.002 . 1 . . . . . 91 GLU N . 53108 1 284 . 1 . 1 92 92 ASP H H 1 8.574 0.001 . 1 . . . . . 92 ASP H . 53108 1 285 . 1 . 1 92 92 ASP C C 13 176.899 0.005 . 1 . . . . . 92 ASP C . 53108 1 286 . 1 . 1 92 92 ASP CA C 13 54.420 0.000 . 1 . . . . . 92 ASP CA . 53108 1 287 . 1 . 1 92 92 ASP N N 15 121.284 0.002 . 1 . . . . . 92 ASP N . 53108 1 288 . 1 . 1 93 93 GLY H H 1 8.484 0.001 . 1 . . . . . 93 GLY H . 53108 1 289 . 1 . 1 93 93 GLY C C 13 174.208 0.006 . 1 . . . . . 93 GLY C . 53108 1 290 . 1 . 1 93 93 GLY CA C 13 45.237 0.000 . 1 . . . . . 93 GLY CA . 53108 1 291 . 1 . 1 93 93 GLY N N 15 109.900 0.002 . 1 . . . . . 93 GLY N . 53108 1 292 . 1 . 1 94 94 SER H H 1 8.274 0.002 . 1 . . . . . 94 SER H . 53108 1 293 . 1 . 1 94 94 SER C C 13 172.958 0.000 . 1 . . . . . 94 SER C . 53108 1 294 . 1 . 1 94 94 SER CA C 13 56.864 0.000 . 1 . . . . . 94 SER CA . 53108 1 295 . 1 . 1 94 94 SER N N 15 117.369 0.005 . 1 . . . . . 94 SER N . 53108 1 296 . 1 . 1 95 95 PRO C C 13 177.302 0.000 . 1 . . . . . 95 PRO C . 53108 1 297 . 1 . 1 95 95 PRO CA C 13 63.647 0.000 . 1 . . . . . 95 PRO CA . 53108 1 298 . 1 . 1 96 96 GLN H H 1 8.534 0.001 . 1 . . . . . 96 GLN H . 53108 1 299 . 1 . 1 96 96 GLN C C 13 176.048 0.009 . 1 . . . . . 96 GLN C . 53108 1 300 . 1 . 1 96 96 GLN CA C 13 55.871 0.000 . 1 . . . . . 96 GLN CA . 53108 1 301 . 1 . 1 96 96 GLN N N 15 120.112 0.004 . 1 . . . . . 96 GLN N . 53108 1 302 . 1 . 1 97 97 ALA H H 1 8.341 0.001 . 1 . . . . . 97 ALA H . 53108 1 303 . 1 . 1 97 97 ALA C C 13 177.624 0.010 . 1 . . . . . 97 ALA C . 53108 1 304 . 1 . 1 97 97 ALA CA C 13 52.834 0.000 . 1 . . . . . 97 ALA CA . 53108 1 305 . 1 . 1 97 97 ALA N N 15 124.790 0.005 . 1 . . . . . 97 ALA N . 53108 1 306 . 1 . 1 98 98 HIS H H 1 8.281 0.003 . 1 . . . . . 98 HIS H . 53108 1 307 . 1 . 1 98 98 HIS C C 13 175.426 0.003 . 1 . . . . . 98 HIS C . 53108 1 308 . 1 . 1 98 98 HIS CA C 13 56.153 0.000 . 1 . . . . . 98 HIS CA . 53108 1 309 . 1 . 1 98 98 HIS N N 15 118.265 0.005 . 1 . . . . . 98 HIS N . 53108 1 310 . 1 . 1 99 99 ARG H H 1 8.361 0.001 . 1 . . . . . 99 ARG H . 53108 1 311 . 1 . 1 99 99 ARG C C 13 175.950 0.005 . 1 . . . . . 99 ARG C . 53108 1 312 . 1 . 1 99 99 ARG CA C 13 56.019 0.000 . 1 . . . . . 99 ARG CA . 53108 1 313 . 1 . 1 99 99 ARG N N 15 122.436 0.005 . 1 . . . . . 99 ARG N . 53108 1 314 . 1 . 1 100 100 ARG H H 1 8.612 0.002 . 1 . . . . . 100 ARG H . 53108 1 315 . 1 . 1 100 100 ARG C C 13 176.577 0.008 . 1 . . . . . 100 ARG C . 53108 1 316 . 1 . 1 100 100 ARG CA C 13 55.899 0.000 . 1 . . . . . 100 ARG CA . 53108 1 317 . 1 . 1 100 100 ARG N N 15 122.639 0.009 . 1 . . . . . 100 ARG N . 53108 1 318 . 1 . 1 101 101 GLY H H 1 8.442 0.002 . 1 . . . . . 101 GLY H . 53108 1 319 . 1 . 1 101 101 GLY C C 13 172.253 0.000 . 1 . . . . . 101 GLY C . 53108 1 320 . 1 . 1 101 101 GLY CA C 13 44.525 0.000 . 1 . . . . . 101 GLY CA . 53108 1 321 . 1 . 1 101 101 GLY N N 15 110.292 0.006 . 1 . . . . . 101 GLY N . 53108 1 322 . 1 . 1 102 102 PRO C C 13 177.688 0.000 . 1 . . . . . 102 PRO C . 53108 1 323 . 1 . 1 102 102 PRO CA C 13 63.614 0.000 . 1 . . . . . 102 PRO CA . 53108 1 324 . 1 . 1 103 103 THR H H 1 8.331 0.004 . 1 . . . . . 103 THR H . 53108 1 325 . 1 . 1 103 103 THR C C 13 175.109 0.007 . 1 . . . . . 103 THR C . 53108 1 326 . 1 . 1 103 103 THR CA C 13 61.795 0.000 . 1 . . . . . 103 THR CA . 53108 1 327 . 1 . 1 103 103 THR N N 15 112.118 0.016 . 1 . . . . . 103 THR N . 53108 1 328 . 1 . 1 104 104 GLY H H 1 8.328 0.001 . 1 . . . . . 104 GLY H . 53108 1 329 . 1 . 1 104 104 GLY C C 13 173.655 0.006 . 1 . . . . . 104 GLY C . 53108 1 330 . 1 . 1 104 104 GLY CA C 13 45.244 0.000 . 1 . . . . . 104 GLY CA . 53108 1 331 . 1 . 1 104 104 GLY N N 15 110.624 0.004 . 1 . . . . . 104 GLY N . 53108 1 332 . 1 . 1 105 105 TYR H H 1 8.095 0.001 . 1 . . . . . 105 TYR H . 53108 1 333 . 1 . 1 105 105 TYR C C 13 175.405 0.004 . 1 . . . . . 105 TYR C . 53108 1 334 . 1 . 1 105 105 TYR CA C 13 57.635 0.000 . 1 . . . . . 105 TYR CA . 53108 1 335 . 1 . 1 105 105 TYR N N 15 120.165 0.002 . 1 . . . . . 105 TYR N . 53108 1 336 . 1 . 1 106 106 LEU H H 1 8.329 0.001 . 1 . . . . . 106 LEU H . 53108 1 337 . 1 . 1 106 106 LEU C C 13 176.595 0.005 . 1 . . . . . 106 LEU C . 53108 1 338 . 1 . 1 106 106 LEU CA C 13 55.034 0.000 . 1 . . . . . 106 LEU CA . 53108 1 339 . 1 . 1 106 106 LEU N N 15 124.252 0.006 . 1 . . . . . 106 LEU N . 53108 1 340 . 1 . 1 107 107 VAL H H 1 8.290 0.001 . 1 . . . . . 107 VAL H . 53108 1 341 . 1 . 1 107 107 VAL C C 13 175.915 0.008 . 1 . . . . . 107 VAL C . 53108 1 342 . 1 . 1 107 107 VAL CA C 13 62.273 0.001 . 1 . . . . . 107 VAL CA . 53108 1 343 . 1 . 1 107 107 VAL N N 15 123.011 0.002 . 1 . . . . . 107 VAL N . 53108 1 344 . 1 . 1 108 108 LEU H H 1 8.494 0.001 . 1 . . . . . 108 LEU H . 53108 1 345 . 1 . 1 108 108 LEU C C 13 176.981 0.006 . 1 . . . . . 108 LEU C . 53108 1 346 . 1 . 1 108 108 LEU CA C 13 54.792 0.000 . 1 . . . . . 108 LEU CA . 53108 1 347 . 1 . 1 108 108 LEU N N 15 126.968 0.006 . 1 . . . . . 108 LEU N . 53108 1 348 . 1 . 1 109 109 ASP H H 1 8.445 0.001 . 1 . . . . . 109 ASP H . 53108 1 349 . 1 . 1 109 109 ASP C C 13 176.382 0.006 . 1 . . . . . 109 ASP C . 53108 1 350 . 1 . 1 109 109 ASP CA C 13 54.503 0.000 . 1 . . . . . 109 ASP CA . 53108 1 351 . 1 . 1 109 109 ASP N N 15 121.751 0.002 . 1 . . . . . 109 ASP N . 53108 1 352 . 1 . 1 110 110 GLU H H 1 8.531 0.001 . 1 . . . . . 110 GLU H . 53108 1 353 . 1 . 1 110 110 GLU C C 13 176.689 0.003 . 1 . . . . . 110 GLU C . 53108 1 354 . 1 . 1 110 110 GLU CA C 13 56.788 0.000 . 1 . . . . . 110 GLU CA . 53108 1 355 . 1 . 1 110 110 GLU N N 15 121.228 0.004 . 1 . . . . . 110 GLU N . 53108 1 356 . 1 . 1 111 111 GLU H H 1 8.530 0.001 . 1 . . . . . 111 GLU H . 53108 1 357 . 1 . 1 111 111 GLU C C 13 176.595 0.000 . 1 . . . . . 111 GLU C . 53108 1 358 . 1 . 1 111 111 GLU CA C 13 56.688 0.000 . 1 . . . . . 111 GLU CA . 53108 1 359 . 1 . 1 111 111 GLU N N 15 121.724 0.013 . 1 . . . . . 111 GLU N . 53108 1 360 . 1 . 1 112 112 GLN H H 1 8.454 0.001 . 1 . . . . . 112 GLN H . 53108 1 361 . 1 . 1 112 112 GLN C C 13 175.884 0.006 . 1 . . . . . 112 GLN C . 53108 1 362 . 1 . 1 112 112 GLN CA C 13 55.605 0.000 . 1 . . . . . 112 GLN CA . 53108 1 363 . 1 . 1 112 112 GLN N N 15 121.379 0.001 . 1 . . . . . 112 GLN N . 53108 1 364 . 1 . 1 113 113 GLN H H 1 8.592 0.001 . 1 . . . . . 113 GLN H . 53108 1 365 . 1 . 1 113 113 GLN C C 13 173.969 0.000 . 1 . . . . . 113 GLN C . 53108 1 366 . 1 . 1 113 113 GLN CA C 13 53.610 0.000 . 1 . . . . . 113 GLN CA . 53108 1 367 . 1 . 1 113 113 GLN N N 15 122.845 0.004 . 1 . . . . . 113 GLN N . 53108 1 368 . 1 . 1 114 114 PRO C C 13 176.991 0.000 . 1 . . . . . 114 PRO C . 53108 1 369 . 1 . 1 115 115 SER H H 1 8.622 0.002 . 1 . . . . . 115 SER H . 53108 1 370 . 1 . 1 115 115 SER C C 13 174.294 0.004 . 1 . . . . . 115 SER C . 53108 1 371 . 1 . 1 115 115 SER CA C 13 58.439 0.000 . 1 . . . . . 115 SER CA . 53108 1 372 . 1 . 1 115 115 SER N N 15 116.963 0.016 . 1 . . . . . 115 SER N . 53108 1 373 . 1 . 1 116 116 GLN H H 1 8.536 0.002 . 1 . . . . . 116 GLN H . 53108 1 374 . 1 . 1 116 116 GLN C C 13 173.965 0.000 . 1 . . . . . 116 GLN C . 53108 1 375 . 1 . 1 116 116 GLN CA C 13 53.613 0.000 . 1 . . . . . 116 GLN CA . 53108 1 376 . 1 . 1 116 116 GLN N N 15 122.965 0.011 . 1 . . . . . 116 GLN N . 53108 1 377 . 1 . 1 117 117 PRO C C 13 177.027 0.000 . 1 . . . . . 117 PRO C . 53108 1 378 . 1 . 1 117 117 PRO CA C 13 63.098 0.000 . 1 . . . . . 117 PRO CA . 53108 1 379 . 1 . 1 118 118 GLN H H 1 8.746 0.001 . 1 . . . . . 118 GLN H . 53108 1 380 . 1 . 1 118 118 GLN C C 13 176.301 0.008 . 1 . . . . . 118 GLN C . 53108 1 381 . 1 . 1 118 118 GLN CA C 13 55.965 0.000 . 1 . . . . . 118 GLN CA . 53108 1 382 . 1 . 1 118 118 GLN N N 15 121.297 0.001 . 1 . . . . . 118 GLN N . 53108 1 383 . 1 . 1 119 119 SER H H 1 8.516 0.001 . 1 . . . . . 119 SER H . 53108 1 384 . 1 . 1 119 119 SER C C 13 174.470 0.000 . 1 . . . . . 119 SER C . 53108 1 385 . 1 . 1 119 119 SER CA C 13 58.386 0.000 . 1 . . . . . 119 SER CA . 53108 1 386 . 1 . 1 119 119 SER N N 15 117.506 0.004 . 1 . . . . . 119 SER N . 53108 1 387 . 1 . 1 120 120 ALA H H 1 8.532 0.001 . 1 . . . . . 120 ALA H . 53108 1 388 . 1 . 1 120 120 ALA C C 13 177.841 0.010 . 1 . . . . . 120 ALA C . 53108 1 389 . 1 . 1 120 120 ALA CA C 13 52.703 0.000 . 1 . . . . . 120 ALA CA . 53108 1 390 . 1 . 1 120 120 ALA N N 15 126.292 0.002 . 1 . . . . . 120 ALA N . 53108 1 391 . 1 . 1 121 121 LEU H H 1 8.213 0.001 . 1 . . . . . 121 LEU H . 53108 1 392 . 1 . 1 121 121 LEU C C 13 177.596 0.011 . 1 . . . . . 121 LEU C . 53108 1 393 . 1 . 1 121 121 LEU CA C 13 55.286 0.000 . 1 . . . . . 121 LEU CA . 53108 1 394 . 1 . 1 121 121 LEU N N 15 120.770 0.004 . 1 . . . . . 121 LEU N . 53108 1 395 . 1 . 1 122 122 GLU H H 1 8.340 0.001 . 1 . . . . . 122 GLU H . 53108 1 396 . 1 . 1 122 122 GLU C C 13 176.079 0.007 . 1 . . . . . 122 GLU C . 53108 1 397 . 1 . 1 122 122 GLU CA C 13 56.431 0.000 . 1 . . . . . 122 GLU CA . 53108 1 398 . 1 . 1 122 122 GLU N N 15 121.387 0.002 . 1 . . . . . 122 GLU N . 53108 1 399 . 1 . 1 123 123 CYS H H 1 8.358 0.002 . 1 . . . . . 123 CYS H . 53108 1 400 . 1 . 1 123 123 CYS C C 13 173.949 0.004 . 1 . . . . . 123 CYS C . 53108 1 401 . 1 . 1 123 123 CYS CA C 13 58.395 0.014 . 1 . . . . . 123 CYS CA . 53108 1 402 . 1 . 1 123 123 CYS N N 15 120.538 0.005 . 1 . . . . . 123 CYS N . 53108 1 403 . 1 . 1 124 124 HIS H H 1 8.638 0.003 . 1 . . . . . 124 HIS H . 53108 1 404 . 1 . 1 124 124 HIS C C 13 173.494 0.000 . 1 . . . . . 124 HIS C . 53108 1 405 . 1 . 1 124 124 HIS CA C 13 54.284 0.000 . 1 . . . . . 124 HIS CA . 53108 1 406 . 1 . 1 124 124 HIS N N 15 123.209 0.009 . 1 . . . . . 124 HIS N . 53108 1 407 . 1 . 1 125 125 PRO C C 13 177.190 0.000 . 1 . . . . . 125 PRO C . 53108 1 408 . 1 . 1 125 125 PRO CA C 13 63.526 0.000 . 1 . . . . . 125 PRO CA . 53108 1 409 . 1 . 1 126 126 GLU H H 1 9.085 0.001 . 1 . . . . . 126 GLU H . 53108 1 410 . 1 . 1 126 126 GLU C C 13 176.828 0.005 . 1 . . . . . 126 GLU C . 53108 1 411 . 1 . 1 126 126 GLU CA C 13 56.786 0.000 . 1 . . . . . 126 GLU CA . 53108 1 412 . 1 . 1 126 126 GLU N N 15 121.421 0.003 . 1 . . . . . 126 GLU N . 53108 1 413 . 1 . 1 127 127 ARG H H 1 8.464 0.001 . 1 . . . . . 127 ARG H . 53108 1 414 . 1 . 1 127 127 ARG C C 13 176.896 0.011 . 1 . . . . . 127 ARG C . 53108 1 415 . 1 . 1 127 127 ARG CA C 13 56.450 0.000 . 1 . . . . . 127 ARG CA . 53108 1 416 . 1 . 1 127 127 ARG N N 15 122.295 0.004 . 1 . . . . . 127 ARG N . 53108 1 417 . 1 . 1 128 128 GLY H H 1 8.543 0.001 . 1 . . . . . 128 GLY H . 53108 1 418 . 1 . 1 128 128 GLY C C 13 173.852 0.005 . 1 . . . . . 128 GLY C . 53108 1 419 . 1 . 1 128 128 GLY CA C 13 45.165 0.000 . 1 . . . . . 128 GLY CA . 53108 1 420 . 1 . 1 128 128 GLY N N 15 109.931 0.002 . 1 . . . . . 128 GLY N . 53108 1 421 . 1 . 1 129 129 CYS H H 1 8.341 0.001 . 1 . . . . . 129 CYS H . 53108 1 422 . 1 . 1 129 129 CYS C C 13 174.535 0.008 . 1 . . . . . 129 CYS C . 53108 1 423 . 1 . 1 129 129 CYS CA C 13 58.269 0.000 . 1 . . . . . 129 CYS CA . 53108 1 424 . 1 . 1 129 129 CYS N N 15 119.036 0.001 . 1 . . . . . 129 CYS N . 53108 1 425 . 1 . 1 130 130 VAL H H 1 8.445 0.001 . 1 . . . . . 130 VAL H . 53108 1 426 . 1 . 1 130 130 VAL C C 13 174.363 0.000 . 1 . . . . . 130 VAL C . 53108 1 427 . 1 . 1 130 130 VAL CA C 13 59.974 0.000 . 1 . . . . . 130 VAL CA . 53108 1 428 . 1 . 1 130 130 VAL N N 15 124.661 0.002 . 1 . . . . . 130 VAL N . 53108 1 429 . 1 . 1 131 131 PRO C C 13 176.527 0.000 . 1 . . . . . 131 PRO C . 53108 1 430 . 1 . 1 131 131 PRO CA C 13 62.884 0.000 . 1 . . . . . 131 PRO CA . 53108 1 431 . 1 . 1 132 132 GLU H H 1 8.632 0.001 . 1 . . . . . 132 GLU H . 53108 1 432 . 1 . 1 132 132 GLU C C 13 174.979 0.000 . 1 . . . . . 132 GLU C . 53108 1 433 . 1 . 1 132 132 GLU CA C 13 54.320 0.000 . 1 . . . . . 132 GLU CA . 53108 1 434 . 1 . 1 132 132 GLU N N 15 123.006 0.003 . 1 . . . . . 132 GLU N . 53108 1 435 . 1 . 1 133 133 PRO C C 13 177.846 0.000 . 1 . . . . . 133 PRO C . 53108 1 436 . 1 . 1 133 133 PRO CA C 13 63.751 0.000 . 1 . . . . . 133 PRO CA . 53108 1 437 . 1 . 1 134 134 GLY H H 1 8.679 0.001 . 1 . . . . . 134 GLY H . 53108 1 438 . 1 . 1 134 134 GLY C C 13 174.090 0.005 . 1 . . . . . 134 GLY C . 53108 1 439 . 1 . 1 134 134 GLY CA C 13 45.186 0.000 . 1 . . . . . 134 GLY CA . 53108 1 440 . 1 . 1 134 134 GLY N N 15 109.654 0.009 . 1 . . . . . 134 GLY N . 53108 1 441 . 1 . 1 135 135 ALA H H 1 8.110 0.001 . 1 . . . . . 135 ALA H . 53108 1 442 . 1 . 1 135 135 ALA C C 13 177.821 0.003 . 1 . . . . . 135 ALA C . 53108 1 443 . 1 . 1 135 135 ALA CA C 13 52.553 0.000 . 1 . . . . . 135 ALA CA . 53108 1 444 . 1 . 1 135 135 ALA N N 15 123.748 0.002 . 1 . . . . . 135 ALA N . 53108 1 445 . 1 . 1 136 136 ALA H H 1 8.420 0.000 . 1 . . . . . 136 ALA H . 53108 1 446 . 1 . 1 136 136 ALA C C 13 178.138 0.000 . 1 . . . . . 136 ALA C . 53108 1 447 . 1 . 1 136 136 ALA CA C 13 52.604 0.000 . 1 . . . . . 136 ALA CA . 53108 1 448 . 1 . 1 136 136 ALA N N 15 123.567 0.001 . 1 . . . . . 136 ALA N . 53108 1 449 . 1 . 1 137 137 VAL H H 1 8.211 0.001 . 1 . . . . . 137 VAL H . 53108 1 450 . 1 . 1 137 137 VAL C C 13 176.360 0.006 . 1 . . . . . 137 VAL C . 53108 1 451 . 1 . 1 137 137 VAL CA C 13 62.383 0.000 . 1 . . . . . 137 VAL CA . 53108 1 452 . 1 . 1 137 137 VAL N N 15 120.138 0.003 . 1 . . . . . 137 VAL N . 53108 1 453 . 1 . 1 138 138 ALA H H 1 8.485 0.001 . 1 . . . . . 138 ALA H . 53108 1 454 . 1 . 1 138 138 ALA C C 13 177.770 0.000 . 1 . . . . . 138 ALA C . 53108 1 455 . 1 . 1 138 138 ALA CA C 13 52.646 0.000 . 1 . . . . . 138 ALA CA . 53108 1 456 . 1 . 1 138 138 ALA N N 15 128.090 0.007 . 1 . . . . . 138 ALA N . 53108 1 457 . 1 . 1 139 139 ALA H H 1 8.418 0.000 . 1 . . . . . 139 ALA H . 53108 1 458 . 1 . 1 139 139 ALA C C 13 178.145 0.000 . 1 . . . . . 139 ALA C . 53108 1 459 . 1 . 1 139 139 ALA N N 15 123.568 0.000 . 1 . . . . . 139 ALA N . 53108 1 460 . 1 . 1 140 140 SER H H 1 8.371 0.001 . 1 . . . . . 140 SER H . 53108 1 461 . 1 . 1 140 140 SER C C 13 174.822 0.000 . 1 . . . . . 140 SER C . 53108 1 462 . 1 . 1 140 140 SER CA C 13 58.397 0.000 . 1 . . . . . 140 SER CA . 53108 1 463 . 1 . 1 140 140 SER N N 15 115.297 0.004 . 1 . . . . . 140 SER N . 53108 1 464 . 1 . 1 141 141 LYS H H 1 8.440 0.001 . 1 . . . . . 141 LYS H . 53108 1 465 . 1 . 1 141 141 LYS C C 13 176.995 0.001 . 1 . . . . . 141 LYS C . 53108 1 466 . 1 . 1 141 141 LYS CA C 13 56.451 0.000 . 1 . . . . . 141 LYS CA . 53108 1 467 . 1 . 1 141 141 LYS N N 15 123.352 0.002 . 1 . . . . . 141 LYS N . 53108 1 468 . 1 . 1 142 142 GLY H H 1 8.431 0.001 . 1 . . . . . 142 GLY H . 53108 1 469 . 1 . 1 142 142 GLY C C 13 173.713 0.001 . 1 . . . . . 142 GLY C . 53108 1 470 . 1 . 1 142 142 GLY CA C 13 44.941 0.000 . 1 . . . . . 142 GLY CA . 53108 1 471 . 1 . 1 142 142 GLY N N 15 109.638 0.003 . 1 . . . . . 142 GLY N . 53108 1 472 . 1 . 1 143 143 LEU H H 1 8.250 0.001 . 1 . . . . . 143 LEU H . 53108 1 473 . 1 . 1 143 143 LEU C C 13 175.468 0.000 . 1 . . . . . 143 LEU C . 53108 1 474 . 1 . 1 143 143 LEU CA C 13 53.057 0.000 . 1 . . . . . 143 LEU CA . 53108 1 475 . 1 . 1 143 143 LEU N N 15 123.011 0.004 . 1 . . . . . 143 LEU N . 53108 1 476 . 1 . 1 144 144 PRO C C 13 176.894 0.000 . 1 . . . . . 144 PRO C . 53108 1 477 . 1 . 1 144 144 PRO CA C 13 63.069 0.000 . 1 . . . . . 144 PRO CA . 53108 1 478 . 1 . 1 145 145 GLN H H 1 8.613 0.001 . 1 . . . . . 145 GLN H . 53108 1 479 . 1 . 1 145 145 GLN C C 13 175.882 0.007 . 1 . . . . . 145 GLN C . 53108 1 480 . 1 . 1 145 145 GLN CA C 13 55.710 0.000 . 1 . . . . . 145 GLN CA . 53108 1 481 . 1 . 1 145 145 GLN N N 15 120.884 0.004 . 1 . . . . . 145 GLN N . 53108 1 482 . 1 . 1 146 146 GLN H H 1 8.575 0.001 . 1 . . . . . 146 GLN H . 53108 1 483 . 1 . 1 146 146 GLN C C 13 175.642 0.003 . 1 . . . . . 146 GLN C . 53108 1 484 . 1 . 1 146 146 GLN CA C 13 55.431 0.000 . 1 . . . . . 146 GLN CA . 53108 1 485 . 1 . 1 146 146 GLN N N 15 122.476 0.002 . 1 . . . . . 146 GLN N . 53108 1 486 . 1 . 1 147 147 LEU H H 1 8.572 0.001 . 1 . . . . . 147 LEU H . 53108 1 487 . 1 . 1 147 147 LEU C C 13 175.117 0.000 . 1 . . . . . 147 LEU C . 53108 1 488 . 1 . 1 147 147 LEU CA C 13 53.031 0.000 . 1 . . . . . 147 LEU CA . 53108 1 489 . 1 . 1 147 147 LEU N N 15 126.139 0.010 . 1 . . . . . 147 LEU N . 53108 1 490 . 1 . 1 148 148 PRO C C 13 176.201 0.000 . 1 . . . . . 148 PRO C . 53108 1 491 . 1 . 1 148 148 PRO CA C 13 62.712 0.000 . 1 . . . . . 148 PRO CA . 53108 1 492 . 1 . 1 149 149 ALA H H 1 8.503 0.001 . 1 . . . . . 149 ALA H . 53108 1 493 . 1 . 1 149 149 ALA C C 13 175.060 0.000 . 1 . . . . . 149 ALA C . 53108 1 494 . 1 . 1 149 149 ALA CA C 13 50.292 0.000 . 1 . . . . . 149 ALA CA . 53108 1 495 . 1 . 1 149 149 ALA N N 15 126.156 0.003 . 1 . . . . . 149 ALA N . 53108 1 stop_ save_