data_26969 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26969 _Entry.Title ; Backbone resonance assignments of the Pseudomonas aeruginosa major pilin PilA from strain PA14 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-12-07 _Entry.Accession_date 2016-12-07 _Entry.Last_release_date 2016-12-07 _Entry.Original_release_date 2016-12-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Ylan Nguyen . . . . 26969 2 Tyler McNicholl . . . . 26969 3 Madoka Akimoto . . . . 26969 4 Francisca Aidoo . . . . 26969 5 Giuseppe Melacini . . . . 26969 6 Lori Burrows . L. . . 26969 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26969 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 434 26969 '15N chemical shifts' 139 26969 '1H chemical shifts' 139 26969 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 . . 2018-06-26 . original BMRB . 26969 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26969 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29342354 _Citation.Full_citation . _Citation.Title ; A Highly Dynamic Loop of the Pseudomonas aeruginosa PA14 Type IV Pilin Is Essential for Pilus Assembly. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'ACS Infect. Dis.' _Citation.Journal_name_full 'ACS infectious diseases' _Citation.Journal_volume 4 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2373-8227 _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 936 _Citation.Page_last 943 _Citation.Year 2018 _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 Ylan Nguyen Y. . . . 26969 1 2 Stephen Boulton S. . . . 26969 1 3 'E Tyler' McNicholl E. T. . . 26969 1 4 Madoka Akimoto M. . . . 26969 1 5 Hanjeong Harvey H. . . . 26969 1 6 Francisca Aidoo F. . . . 26969 1 7 Giuseppe Melacini G. . . . 26969 1 8 Lori Burrows L. L. . . 26969 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26969 _Assembly.ID 1 _Assembly.Name PilA _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PilA 1 $PilA A . yes native no no . . . 26969 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 118 118 SG . 1 . 1 CYS 150 150 SG . . . . . . . . . . . . 26969 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PilA _Entity.Sf_category entity _Entity.Sf_framecode PilA _Entity.Entry_ID 26969 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PilA _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 ; GIDPFTIRARVTEGVGLAAS AKTLIGDSSATAGELAASAR VWNAQAGNAGATSKYVTSVR IAEATGEITVTFNATNVGNI PADSTLVFTPYVQNAAGAPT QLGASYAAGVTGSIDWGCAS ESNAVSSGPDRNMPALTAGT LPARFAPSECR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'residues 1-6 are artifacts of affinity tag cleavage' _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 disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'C-terminal domain' _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes UNP A0A0H2ZFW8 . . . . . . . . . . . . . . . . 26969 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 26969 1 2 . ILE . 26969 1 3 . ASP . 26969 1 4 . PRO . 26969 1 5 . PHE . 26969 1 6 . THR . 26969 1 7 . ILE . 26969 1 8 . ARG . 26969 1 9 . ALA . 26969 1 10 . ARG . 26969 1 11 . VAL . 26969 1 12 . THR . 26969 1 13 . GLU . 26969 1 14 . GLY . 26969 1 15 . VAL . 26969 1 16 . GLY . 26969 1 17 . LEU . 26969 1 18 . ALA . 26969 1 19 . ALA . 26969 1 20 . SER . 26969 1 21 . ALA . 26969 1 22 . LYS . 26969 1 23 . THR . 26969 1 24 . LEU . 26969 1 25 . ILE . 26969 1 26 . GLY . 26969 1 27 . ASP . 26969 1 28 . SER . 26969 1 29 . SER . 26969 1 30 . ALA . 26969 1 31 . THR . 26969 1 32 . ALA . 26969 1 33 . GLY . 26969 1 34 . GLU . 26969 1 35 . LEU . 26969 1 36 . ALA . 26969 1 37 . ALA . 26969 1 38 . SER . 26969 1 39 . ALA . 26969 1 40 . ARG . 26969 1 41 . VAL . 26969 1 42 . TRP . 26969 1 43 . ASN . 26969 1 44 . ALA . 26969 1 45 . GLN . 26969 1 46 . ALA . 26969 1 47 . GLY . 26969 1 48 . ASN . 26969 1 49 . ALA . 26969 1 50 . GLY . 26969 1 51 . ALA . 26969 1 52 . THR . 26969 1 53 . SER . 26969 1 54 . LYS . 26969 1 55 . TYR . 26969 1 56 . VAL . 26969 1 57 . THR . 26969 1 58 . SER . 26969 1 59 . VAL . 26969 1 60 . ARG . 26969 1 61 . ILE . 26969 1 62 . ALA . 26969 1 63 . GLU . 26969 1 64 . ALA . 26969 1 65 . THR . 26969 1 66 . GLY . 26969 1 67 . GLU . 26969 1 68 . ILE . 26969 1 69 . THR . 26969 1 70 . VAL . 26969 1 71 . THR . 26969 1 72 . PHE . 26969 1 73 . ASN . 26969 1 74 . ALA . 26969 1 75 . THR . 26969 1 76 . ASN . 26969 1 77 . VAL . 26969 1 78 . GLY . 26969 1 79 . ASN . 26969 1 80 . ILE . 26969 1 81 . PRO . 26969 1 82 . ALA . 26969 1 83 . ASP . 26969 1 84 . SER . 26969 1 85 . THR . 26969 1 86 . LEU . 26969 1 87 . VAL . 26969 1 88 . PHE . 26969 1 89 . THR . 26969 1 90 . PRO . 26969 1 91 . TYR . 26969 1 92 . VAL . 26969 1 93 . GLN . 26969 1 94 . ASN . 26969 1 95 . ALA . 26969 1 96 . ALA . 26969 1 97 . GLY . 26969 1 98 . ALA . 26969 1 99 . PRO . 26969 1 100 . THR . 26969 1 101 . GLN . 26969 1 102 . LEU . 26969 1 103 . GLY . 26969 1 104 . ALA . 26969 1 105 . SER . 26969 1 106 . TYR . 26969 1 107 . ALA . 26969 1 108 . ALA . 26969 1 109 . GLY . 26969 1 110 . VAL . 26969 1 111 . THR . 26969 1 112 . GLY . 26969 1 113 . SER . 26969 1 114 . ILE . 26969 1 115 . ASP . 26969 1 116 . TRP . 26969 1 117 . GLY . 26969 1 118 . CYS . 26969 1 119 . ALA . 26969 1 120 . SER . 26969 1 121 . GLU . 26969 1 122 . SER . 26969 1 123 . ASN . 26969 1 124 . ALA . 26969 1 125 . VAL . 26969 1 126 . SER . 26969 1 127 . SER . 26969 1 128 . GLY . 26969 1 129 . PRO . 26969 1 130 . ASP . 26969 1 131 . ARG . 26969 1 132 . ASN . 26969 1 133 . MET . 26969 1 134 . PRO . 26969 1 135 . ALA . 26969 1 136 . LEU . 26969 1 137 . THR . 26969 1 138 . ALA . 26969 1 139 . GLY . 26969 1 140 . THR . 26969 1 141 . LEU . 26969 1 142 . PRO . 26969 1 143 . ALA . 26969 1 144 . ARG . 26969 1 145 . PHE . 26969 1 146 . ALA . 26969 1 147 . PRO . 26969 1 148 . SER . 26969 1 149 . GLU . 26969 1 150 . CYS . 26969 1 151 . ARG . 26969 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26969 1 . ILE 2 2 26969 1 . ASP 3 3 26969 1 . PRO 4 4 26969 1 . PHE 5 5 26969 1 . THR 6 6 26969 1 . ILE 7 7 26969 1 . ARG 8 8 26969 1 . ALA 9 9 26969 1 . ARG 10 10 26969 1 . VAL 11 11 26969 1 . THR 12 12 26969 1 . GLU 13 13 26969 1 . GLY 14 14 26969 1 . VAL 15 15 26969 1 . GLY 16 16 26969 1 . LEU 17 17 26969 1 . ALA 18 18 26969 1 . ALA 19 19 26969 1 . SER 20 20 26969 1 . ALA 21 21 26969 1 . LYS 22 22 26969 1 . THR 23 23 26969 1 . LEU 24 24 26969 1 . ILE 25 25 26969 1 . GLY 26 26 26969 1 . ASP 27 27 26969 1 . SER 28 28 26969 1 . SER 29 29 26969 1 . ALA 30 30 26969 1 . THR 31 31 26969 1 . ALA 32 32 26969 1 . GLY 33 33 26969 1 . GLU 34 34 26969 1 . LEU 35 35 26969 1 . ALA 36 36 26969 1 . ALA 37 37 26969 1 . SER 38 38 26969 1 . ALA 39 39 26969 1 . ARG 40 40 26969 1 . VAL 41 41 26969 1 . TRP 42 42 26969 1 . ASN 43 43 26969 1 . ALA 44 44 26969 1 . GLN 45 45 26969 1 . ALA 46 46 26969 1 . GLY 47 47 26969 1 . ASN 48 48 26969 1 . ALA 49 49 26969 1 . GLY 50 50 26969 1 . ALA 51 51 26969 1 . THR 52 52 26969 1 . SER 53 53 26969 1 . LYS 54 54 26969 1 . TYR 55 55 26969 1 . VAL 56 56 26969 1 . THR 57 57 26969 1 . SER 58 58 26969 1 . VAL 59 59 26969 1 . ARG 60 60 26969 1 . ILE 61 61 26969 1 . ALA 62 62 26969 1 . GLU 63 63 26969 1 . ALA 64 64 26969 1 . THR 65 65 26969 1 . GLY 66 66 26969 1 . GLU 67 67 26969 1 . ILE 68 68 26969 1 . THR 69 69 26969 1 . VAL 70 70 26969 1 . THR 71 71 26969 1 . PHE 72 72 26969 1 . ASN 73 73 26969 1 . ALA 74 74 26969 1 . THR 75 75 26969 1 . ASN 76 76 26969 1 . VAL 77 77 26969 1 . GLY 78 78 26969 1 . ASN 79 79 26969 1 . ILE 80 80 26969 1 . PRO 81 81 26969 1 . ALA 82 82 26969 1 . ASP 83 83 26969 1 . SER 84 84 26969 1 . THR 85 85 26969 1 . LEU 86 86 26969 1 . VAL 87 87 26969 1 . PHE 88 88 26969 1 . THR 89 89 26969 1 . PRO 90 90 26969 1 . TYR 91 91 26969 1 . VAL 92 92 26969 1 . GLN 93 93 26969 1 . ASN 94 94 26969 1 . ALA 95 95 26969 1 . ALA 96 96 26969 1 . GLY 97 97 26969 1 . ALA 98 98 26969 1 . PRO 99 99 26969 1 . THR 100 100 26969 1 . GLN 101 101 26969 1 . LEU 102 102 26969 1 . GLY 103 103 26969 1 . ALA 104 104 26969 1 . SER 105 105 26969 1 . TYR 106 106 26969 1 . ALA 107 107 26969 1 . ALA 108 108 26969 1 . GLY 109 109 26969 1 . VAL 110 110 26969 1 . THR 111 111 26969 1 . GLY 112 112 26969 1 . SER 113 113 26969 1 . ILE 114 114 26969 1 . ASP 115 115 26969 1 . TRP 116 116 26969 1 . GLY 117 117 26969 1 . CYS 118 118 26969 1 . ALA 119 119 26969 1 . SER 120 120 26969 1 . GLU 121 121 26969 1 . SER 122 122 26969 1 . ASN 123 123 26969 1 . ALA 124 124 26969 1 . VAL 125 125 26969 1 . SER 126 126 26969 1 . SER 127 127 26969 1 . GLY 128 128 26969 1 . PRO 129 129 26969 1 . ASP 130 130 26969 1 . ARG 131 131 26969 1 . ASN 132 132 26969 1 . MET 133 133 26969 1 . PRO 134 134 26969 1 . ALA 135 135 26969 1 . LEU 136 136 26969 1 . THR 137 137 26969 1 . ALA 138 138 26969 1 . GLY 139 139 26969 1 . THR 140 140 26969 1 . LEU 141 141 26969 1 . PRO 142 142 26969 1 . ALA 143 143 26969 1 . ARG 144 144 26969 1 . PHE 145 145 26969 1 . ALA 146 146 26969 1 . PRO 147 147 26969 1 . SER 148 148 26969 1 . GLU 149 149 26969 1 . CYS 150 150 26969 1 . ARG 151 151 26969 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26969 _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 $PilA . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa PA14 . . . . . . . . . . pilA . 26969 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26969 _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 $PilA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Origami . . . . . pET151 . . . 26969 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26969 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PilA '[U-13C; U-15N]' . . 1 $PilA . . 0.5 . . mM . . . . 26969 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 26969 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26969 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26969 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PilA [U-15N]-Leu . . 1 $PilA . . 0.5 . . mM . . . . 26969 2 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 26969 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26969 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26969 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 26969 1 pressure 1 . atm 26969 1 temperature 306 . K 26969 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26969 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3.113 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26969 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26969 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26969 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26969 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26969 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26969 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26969 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26969 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 26969 1 2 spectrometer_2 Varian INOVA . 500 . . . 26969 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26969 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26969 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26969 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26969 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26969 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26969 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26969 1 7 '3D 15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26969 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26969 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26969 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 . . . . . 26969 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26969 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26969 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26969 _Assigned_chem_shift_list.ID 1 _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 $chemical_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' . . . 26969 1 2 '3D HN(CO)CA' . . . 26969 1 3 '3D HNCACB' . . . 26969 1 4 '3D CBCA(CO)NH' . . . 26969 1 5 '3D HNCO' . . . 26969 1 6 '3D HN(CA)CO' . . . 26969 1 7 '3D 15N NOESY-HSQC' . . . 26969 1 8 '2D 1H-15N HSQC' . . . 26969 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 2 2 ILE C C 13 175.082 0.000 . 1 . . . . . 2 I C . 26969 1 2 . 1 1 2 2 ILE CA C 13 61.254 0.046 . 1 . . . . . 2 I CA . 26969 1 3 . 1 1 2 2 ILE CB C 13 39.350 0.005 . 1 . . . . . 2 I CB . 26969 1 4 . 1 1 3 3 ASP H H 1 8.425 0.007 . 1 . . . . . 3 D H . 26969 1 5 . 1 1 3 3 ASP C C 13 175.053 0.000 . 1 . . . . . 3 D C . 26969 1 6 . 1 1 3 3 ASP CA C 13 52.134 0.000 . 1 . . . . . 3 D CA . 26969 1 7 . 1 1 3 3 ASP CB C 13 41.930 0.000 . 1 . . . . . 3 D CB . 26969 1 8 . 1 1 3 3 ASP N N 15 126.427 0.028 . 1 . . . . . 3 D N . 26969 1 9 . 1 1 4 4 PRO C C 13 177.671 0.000 . 1 . . . . . 4 P C . 26969 1 10 . 1 1 4 4 PRO CA C 13 65.592 0.006 . 1 . . . . . 4 P CA . 26969 1 11 . 1 1 4 4 PRO CB C 13 32.529 0.076 . 1 . . . . . 4 P CB . 26969 1 12 . 1 1 5 5 PHE H H 1 8.248 0.001 . 1 . . . . . 5 F H . 26969 1 13 . 1 1 5 5 PHE C C 13 178.598 0.009 . 1 . . . . . 5 F C . 26969 1 14 . 1 1 5 5 PHE CA C 13 62.119 0.018 . 1 . . . . . 5 F CA . 26969 1 15 . 1 1 5 5 PHE CB C 13 38.601 0.044 . 1 . . . . . 5 F CB . 26969 1 16 . 1 1 5 5 PHE N N 15 117.836 0.019 . 1 . . . . . 5 F N . 26969 1 17 . 1 1 6 6 THR H H 1 7.896 0.005 . 1 . . . . . 6 T H . 26969 1 18 . 1 1 6 6 THR C C 13 176.010 0.009 . 1 . . . . . 6 T C . 26969 1 19 . 1 1 6 6 THR CA C 13 66.789 0.025 . 1 . . . . . 6 T CA . 26969 1 20 . 1 1 6 6 THR CB C 13 68.653 0.047 . 1 . . . . . 6 T CB . 26969 1 21 . 1 1 6 6 THR N N 15 119.130 0.048 . 1 . . . . . 6 T N . 26969 1 22 . 1 1 7 7 ILE H H 1 7.481 0.005 . 1 . . . . . 7 I H . 26969 1 23 . 1 1 7 7 ILE C C 13 177.924 0.009 . 1 . . . . . 7 I C . 26969 1 24 . 1 1 7 7 ILE CA C 13 66.432 0.050 . 1 . . . . . 7 I CA . 26969 1 25 . 1 1 7 7 ILE CB C 13 38.034 0.021 . 1 . . . . . 7 I CB . 26969 1 26 . 1 1 7 7 ILE N N 15 121.303 0.011 . 1 . . . . . 7 I N . 26969 1 27 . 1 1 8 8 ARG H H 1 8.275 0.004 . 1 . . . . . 8 R H . 26969 1 28 . 1 1 8 8 ARG C C 13 179.062 0.004 . 1 . . . . . 8 R C . 26969 1 29 . 1 1 8 8 ARG CA C 13 60.570 0.020 . 1 . . . . . 8 R CA . 26969 1 30 . 1 1 8 8 ARG CB C 13 30.824 0.041 . 1 . . . . . 8 R CB . 26969 1 31 . 1 1 8 8 ARG N N 15 116.628 0.046 . 1 . . . . . 8 R N . 26969 1 32 . 1 1 9 9 ALA H H 1 7.822 0.001 . 1 . . . . . 9 A H . 26969 1 33 . 1 1 9 9 ALA C C 13 180.593 0.013 . 1 . . . . . 9 A C . 26969 1 34 . 1 1 9 9 ALA CA C 13 55.700 0.038 . 1 . . . . . 9 A CA . 26969 1 35 . 1 1 9 9 ALA CB C 13 18.192 0.051 . 1 . . . . . 9 A CB . 26969 1 36 . 1 1 9 9 ALA N N 15 122.608 0.020 . 1 . . . . . 9 A N . 26969 1 37 . 1 1 10 10 ARG H H 1 7.821 0.005 . 1 . . . . . 10 R H . 26969 1 38 . 1 1 10 10 ARG C C 13 178.099 0.001 . 1 . . . . . 10 R C . 26969 1 39 . 1 1 10 10 ARG CA C 13 60.091 0.040 . 1 . . . . . 10 R CA . 26969 1 40 . 1 1 10 10 ARG CB C 13 30.636 0.057 . 1 . . . . . 10 R CB . 26969 1 41 . 1 1 10 10 ARG N N 15 121.365 0.020 . 1 . . . . . 10 R N . 26969 1 42 . 1 1 11 11 VAL H H 1 8.177 0.002 . 1 . . . . . 11 V H . 26969 1 43 . 1 1 11 11 VAL C C 13 178.501 0.009 . 1 . . . . . 11 V C . 26969 1 44 . 1 1 11 11 VAL CA C 13 66.322 0.029 . 1 . . . . . 11 V CA . 26969 1 45 . 1 1 11 11 VAL CB C 13 32.035 0.040 . 1 . . . . . 11 V CB . 26969 1 46 . 1 1 11 11 VAL N N 15 119.808 0.006 . 1 . . . . . 11 V N . 26969 1 47 . 1 1 12 12 THR H H 1 8.362 0.006 . 1 . . . . . 12 T H . 26969 1 48 . 1 1 12 12 THR C C 13 176.786 0.000 . 1 . . . . . 12 T C . 26969 1 49 . 1 1 12 12 THR CA C 13 67.815 0.090 . 1 . . . . . 12 T CA . 26969 1 50 . 1 1 12 12 THR CB C 13 68.701 0.046 . 1 . . . . . 12 T CB . 26969 1 51 . 1 1 12 12 THR N N 15 116.551 0.019 . 1 . . . . . 12 T N . 26969 1 52 . 1 1 13 13 GLU H H 1 7.947 0.002 . 1 . . . . . 13 E H . 26969 1 53 . 1 1 13 13 GLU C C 13 180.752 0.010 . 1 . . . . . 13 E C . 26969 1 54 . 1 1 13 13 GLU CA C 13 60.522 0.031 . 1 . . . . . 13 E CA . 26969 1 55 . 1 1 13 13 GLU CB C 13 29.841 0.062 . 1 . . . . . 13 E CB . 26969 1 56 . 1 1 13 13 GLU N N 15 123.108 0.025 . 1 . . . . . 13 E N . 26969 1 57 . 1 1 14 14 GLY H H 1 8.573 0.004 . 1 . . . . . 14 G H . 26969 1 58 . 1 1 14 14 GLY C C 13 174.810 0.002 . 1 . . . . . 14 G C . 26969 1 59 . 1 1 14 14 GLY CA C 13 48.444 0.048 . 1 . . . . . 14 G CA . 26969 1 60 . 1 1 14 14 GLY N N 15 109.252 0.040 . 1 . . . . . 14 G N . 26969 1 61 . 1 1 15 15 VAL H H 1 8.697 0.006 . 1 . . . . . 15 V H . 26969 1 62 . 1 1 15 15 VAL C C 13 178.562 0.008 . 1 . . . . . 15 V C . 26969 1 63 . 1 1 15 15 VAL CA C 13 66.817 0.004 . 1 . . . . . 15 V CA . 26969 1 64 . 1 1 15 15 VAL CB C 13 31.798 0.044 . 1 . . . . . 15 V CB . 26969 1 65 . 1 1 15 15 VAL N N 15 120.046 0.018 . 1 . . . . . 15 V N . 26969 1 66 . 1 1 16 16 GLY H H 1 7.876 0.002 . 1 . . . . . 16 G H . 26969 1 67 . 1 1 16 16 GLY C C 13 176.533 0.003 . 1 . . . . . 16 G C . 26969 1 68 . 1 1 16 16 GLY CA C 13 47.403 0.059 . 1 . . . . . 16 G CA . 26969 1 69 . 1 1 16 16 GLY N N 15 108.194 0.028 . 1 . . . . . 16 G N . 26969 1 70 . 1 1 17 17 LEU H H 1 7.724 0.004 . 1 . . . . . 17 L H . 26969 1 71 . 1 1 17 17 LEU C C 13 178.313 0.005 . 1 . . . . . 17 L C . 26969 1 72 . 1 1 17 17 LEU CA C 13 57.523 0.032 . 1 . . . . . 17 L CA . 26969 1 73 . 1 1 17 17 LEU CB C 13 43.039 0.033 . 1 . . . . . 17 L CB . 26969 1 74 . 1 1 17 17 LEU N N 15 121.922 0.036 . 1 . . . . . 17 L N . 26969 1 75 . 1 1 18 18 ALA H H 1 7.626 0.002 . 1 . . . . . 18 A H . 26969 1 76 . 1 1 18 18 ALA C C 13 177.606 0.004 . 1 . . . . . 18 A C . 26969 1 77 . 1 1 18 18 ALA CA C 13 52.701 0.034 . 1 . . . . . 18 A CA . 26969 1 78 . 1 1 18 18 ALA CB C 13 18.358 0.076 . 1 . . . . . 18 A CB . 26969 1 79 . 1 1 18 18 ALA N N 15 115.657 0.040 . 1 . . . . . 18 A N . 26969 1 80 . 1 1 19 19 ALA H H 1 7.471 0.003 . 1 . . . . . 19 A H . 26969 1 81 . 1 1 19 19 ALA C C 13 180.225 0.005 . 1 . . . . . 19 A C . 26969 1 82 . 1 1 19 19 ALA CA C 13 56.499 0.000 . 1 . . . . . 19 A CA . 26969 1 83 . 1 1 19 19 ALA CB C 13 18.210 0.032 . 1 . . . . . 19 A CB . 26969 1 84 . 1 1 19 19 ALA N N 15 122.583 0.041 . 1 . . . . . 19 A N . 26969 1 85 . 1 1 20 20 SER H H 1 8.069 0.010 . 1 . . . . . 20 S H . 26969 1 86 . 1 1 20 20 SER C C 13 176.045 0.000 . 1 . . . . . 20 S C . 26969 1 87 . 1 1 20 20 SER CA C 13 61.728 0.060 . 1 . . . . . 20 S CA . 26969 1 88 . 1 1 20 20 SER CB C 13 63.071 0.098 . 1 . . . . . 20 S CB . 26969 1 89 . 1 1 20 20 SER N N 15 111.903 0.048 . 1 . . . . . 20 S N . 26969 1 90 . 1 1 21 21 ALA H H 1 6.328 0.002 . 1 . . . . . 21 A H . 26969 1 91 . 1 1 21 21 ALA C C 13 177.667 0.006 . 1 . . . . . 21 A C . 26969 1 92 . 1 1 21 21 ALA CA C 13 54.769 0.052 . 1 . . . . . 21 A CA . 26969 1 93 . 1 1 21 21 ALA CB C 13 16.503 0.059 . 1 . . . . . 21 A CB . 26969 1 94 . 1 1 21 21 ALA N N 15 125.733 0.017 . 1 . . . . . 21 A N . 26969 1 95 . 1 1 22 22 LYS H H 1 7.401 0.002 . 1 . . . . . 22 K H . 26969 1 96 . 1 1 22 22 LYS C C 13 180.588 0.011 . 1 . . . . . 22 K C . 26969 1 97 . 1 1 22 22 LYS CA C 13 59.757 0.054 . 1 . . . . . 22 K CA . 26969 1 98 . 1 1 22 22 LYS CB C 13 32.809 0.080 . 1 . . . . . 22 K CB . 26969 1 99 . 1 1 22 22 LYS N N 15 117.051 0.014 . 1 . . . . . 22 K N . 26969 1 100 . 1 1 23 23 THR H H 1 7.844 0.006 . 1 . . . . . 23 T H . 26969 1 101 . 1 1 23 23 THR C C 13 175.435 0.003 . 1 . . . . . 23 T C . 26969 1 102 . 1 1 23 23 THR CA C 13 66.721 0.027 . 1 . . . . . 23 T CA . 26969 1 103 . 1 1 23 23 THR CB C 13 69.031 0.061 . 1 . . . . . 23 T CB . 26969 1 104 . 1 1 23 23 THR N N 15 117.211 0.030 . 1 . . . . . 23 T N . 26969 1 105 . 1 1 24 24 LEU H H 1 7.329 0.002 . 1 . . . . . 24 L H . 26969 1 106 . 1 1 24 24 LEU C C 13 178.764 0.000 . 1 . . . . . 24 L C . 26969 1 107 . 1 1 24 24 LEU CA C 13 58.716 0.041 . 1 . . . . . 24 L CA . 26969 1 108 . 1 1 24 24 LEU CB C 13 42.217 0.036 . 1 . . . . . 24 L CB . 26969 1 109 . 1 1 24 24 LEU N N 15 122.824 0.025 . 1 . . . . . 24 L N . 26969 1 110 . 1 1 25 25 ILE H H 1 7.937 0.001 . 1 . . . . . 25 I H . 26969 1 111 . 1 1 25 25 ILE C C 13 178.560 0.016 . 1 . . . . . 25 I C . 26969 1 112 . 1 1 25 25 ILE CA C 13 62.696 0.016 . 1 . . . . . 25 I CA . 26969 1 113 . 1 1 25 25 ILE CB C 13 36.284 0.032 . 1 . . . . . 25 I CB . 26969 1 114 . 1 1 25 25 ILE N N 15 118.026 0.030 . 1 . . . . . 25 I N . 26969 1 115 . 1 1 26 26 GLY H H 1 8.451 0.002 . 1 . . . . . 26 G H . 26969 1 116 . 1 1 26 26 GLY C C 13 175.939 0.011 . 1 . . . . . 26 G C . 26969 1 117 . 1 1 26 26 GLY CA C 13 47.990 0.040 . 1 . . . . . 26 G CA . 26969 1 118 . 1 1 26 26 GLY N N 15 106.813 0.016 . 1 . . . . . 26 G N . 26969 1 119 . 1 1 27 27 ASP H H 1 7.932 0.004 . 1 . . . . . 27 D H . 26969 1 120 . 1 1 27 27 ASP C C 13 178.112 0.008 . 1 . . . . . 27 D C . 26969 1 121 . 1 1 27 27 ASP CA C 13 56.265 0.047 . 1 . . . . . 27 D CA . 26969 1 122 . 1 1 27 27 ASP CB C 13 42.201 0.046 . 1 . . . . . 27 D CB . 26969 1 123 . 1 1 27 27 ASP N N 15 119.516 0.033 . 1 . . . . . 27 D N . 26969 1 124 . 1 1 28 28 SER H H 1 7.798 0.006 . 1 . . . . . 28 S H . 26969 1 125 . 1 1 28 28 SER C C 13 173.274 0.009 . 1 . . . . . 28 S C . 26969 1 126 . 1 1 28 28 SER CA C 13 57.245 0.021 . 1 . . . . . 28 S CA . 26969 1 127 . 1 1 28 28 SER CB C 13 64.128 0.000 . 1 . . . . . 28 S CB . 26969 1 128 . 1 1 28 28 SER N N 15 116.526 0.021 . 1 . . . . . 28 S N . 26969 1 129 . 1 1 29 29 SER H H 1 8.079 0.010 . 1 . . . . . 29 S H . 26969 1 130 . 1 1 29 29 SER C C 13 176.499 0.043 . 1 . . . . . 29 S C . 26969 1 131 . 1 1 29 29 SER CA C 13 57.536 0.066 . 1 . . . . . 29 S CA . 26969 1 132 . 1 1 29 29 SER CB C 13 63.592 0.038 . 1 . . . . . 29 S CB . 26969 1 133 . 1 1 29 29 SER N N 15 111.487 0.043 . 1 . . . . . 29 S N . 26969 1 134 . 1 1 30 30 ALA H H 1 8.858 0.007 . 1 . . . . . 30 A H . 26969 1 135 . 1 1 30 30 ALA C C 13 178.115 0.005 . 1 . . . . . 30 A C . 26969 1 136 . 1 1 30 30 ALA CA C 13 56.148 0.041 . 1 . . . . . 30 A CA . 26969 1 137 . 1 1 30 30 ALA CB C 13 19.614 0.080 . 1 . . . . . 30 A CB . 26969 1 138 . 1 1 30 30 ALA N N 15 125.940 0.013 . 1 . . . . . 30 A N . 26969 1 139 . 1 1 31 31 THR H H 1 7.034 0.002 . 1 . . . . . 31 T H . 26969 1 140 . 1 1 31 31 THR C C 13 173.405 0.004 . 1 . . . . . 31 T C . 26969 1 141 . 1 1 31 31 THR CA C 13 59.055 0.036 . 1 . . . . . 31 T CA . 26969 1 142 . 1 1 31 31 THR CB C 13 73.599 0.042 . 1 . . . . . 31 T CB . 26969 1 143 . 1 1 31 31 THR N N 15 101.855 0.019 . 1 . . . . . 31 T N . 26969 1 144 . 1 1 32 32 ALA H H 1 8.024 0.003 . 1 . . . . . 32 A H . 26969 1 145 . 1 1 32 32 ALA C C 13 181.422 0.002 . 1 . . . . . 32 A C . 26969 1 146 . 1 1 32 32 ALA CA C 13 55.136 0.064 . 1 . . . . . 32 A CA . 26969 1 147 . 1 1 32 32 ALA CB C 13 17.976 0.068 . 1 . . . . . 32 A CB . 26969 1 148 . 1 1 32 32 ALA N N 15 123.365 0.032 . 1 . . . . . 32 A N . 26969 1 149 . 1 1 33 33 GLY H H 1 8.478 0.006 . 1 . . . . . 33 G H . 26969 1 150 . 1 1 33 33 GLY C C 13 176.731 0.012 . 1 . . . . . 33 G C . 26969 1 151 . 1 1 33 33 GLY CA C 13 47.023 0.059 . 1 . . . . . 33 G CA . 26969 1 152 . 1 1 33 33 GLY N N 15 106.389 0.019 . 1 . . . . . 33 G N . 26969 1 153 . 1 1 34 34 GLU H H 1 7.708 0.004 . 1 . . . . . 34 E H . 26969 1 154 . 1 1 34 34 GLU C C 13 178.417 0.005 . 1 . . . . . 34 E C . 26969 1 155 . 1 1 34 34 GLU CA C 13 59.876 0.052 . 1 . . . . . 34 E CA . 26969 1 156 . 1 1 34 34 GLU CB C 13 30.623 0.062 . 1 . . . . . 34 E CB . 26969 1 157 . 1 1 34 34 GLU N N 15 124.628 0.023 . 1 . . . . . 34 E N . 26969 1 158 . 1 1 35 35 LEU H H 1 7.985 0.002 . 1 . . . . . 35 L H . 26969 1 159 . 1 1 35 35 LEU C C 13 177.812 0.008 . 1 . . . . . 35 L C . 26969 1 160 . 1 1 35 35 LEU CA C 13 58.983 0.053 . 1 . . . . . 35 L CA . 26969 1 161 . 1 1 35 35 LEU CB C 13 41.495 0.000 . 1 . . . . . 35 L CB . 26969 1 162 . 1 1 35 35 LEU N N 15 122.209 0.038 . 1 . . . . . 35 L N . 26969 1 163 . 1 1 36 36 ALA H H 1 7.783 0.004 . 1 . . . . . 36 A H . 26969 1 164 . 1 1 36 36 ALA C C 13 179.424 0.007 . 1 . . . . . 36 A C . 26969 1 165 . 1 1 36 36 ALA CA C 13 55.748 0.030 . 1 . . . . . 36 A CA . 26969 1 166 . 1 1 36 36 ALA CB C 13 18.343 0.066 . 1 . . . . . 36 A CB . 26969 1 167 . 1 1 36 36 ALA N N 15 118.299 0.017 . 1 . . . . . 36 A N . 26969 1 168 . 1 1 37 37 ALA H H 1 7.878 0.002 . 1 . . . . . 37 A H . 26969 1 169 . 1 1 37 37 ALA C C 13 180.838 0.004 . 1 . . . . . 37 A C . 26969 1 170 . 1 1 37 37 ALA CA C 13 55.722 0.032 . 1 . . . . . 37 A CA . 26969 1 171 . 1 1 37 37 ALA CB C 13 18.535 0.081 . 1 . . . . . 37 A CB . 26969 1 172 . 1 1 37 37 ALA N N 15 118.977 0.018 . 1 . . . . . 37 A N . 26969 1 173 . 1 1 38 38 SER H H 1 8.616 0.002 . 1 . . . . . 38 S H . 26969 1 174 . 1 1 38 38 SER C C 13 175.786 0.005 . 1 . . . . . 38 S C . 26969 1 175 . 1 1 38 38 SER CA C 13 62.284 0.167 . 1 . . . . . 38 S CA . 26969 1 176 . 1 1 38 38 SER CB C 13 63.083 0.028 . 1 . . . . . 38 S CB . 26969 1 177 . 1 1 38 38 SER N N 15 116.642 0.017 . 1 . . . . . 38 S N . 26969 1 178 . 1 1 39 39 ALA H H 1 8.416 0.001 . 1 . . . . . 39 A H . 26969 1 179 . 1 1 39 39 ALA C C 13 178.174 0.005 . 1 . . . . . 39 A C . 26969 1 180 . 1 1 39 39 ALA CA C 13 56.196 0.044 . 1 . . . . . 39 A CA . 26969 1 181 . 1 1 39 39 ALA CB C 13 18.270 0.063 . 1 . . . . . 39 A CB . 26969 1 182 . 1 1 39 39 ALA N N 15 124.085 0.029 . 1 . . . . . 39 A N . 26969 1 183 . 1 1 40 40 ARG H H 1 8.208 0.002 . 1 . . . . . 40 R H . 26969 1 184 . 1 1 40 40 ARG C C 13 180.381 0.004 . 1 . . . . . 40 R C . 26969 1 185 . 1 1 40 40 ARG CA C 13 60.502 0.028 . 1 . . . . . 40 R CA . 26969 1 186 . 1 1 40 40 ARG CB C 13 31.030 0.060 . 1 . . . . . 40 R CB . 26969 1 187 . 1 1 40 40 ARG N N 15 115.697 0.022 . 1 . . . . . 40 R N . 26969 1 188 . 1 1 41 41 VAL H H 1 7.921 0.002 . 1 . . . . . 41 V H . 26969 1 189 . 1 1 41 41 VAL C C 13 178.459 0.008 . 1 . . . . . 41 V C . 26969 1 190 . 1 1 41 41 VAL CA C 13 66.836 0.021 . 1 . . . . . 41 V CA . 26969 1 191 . 1 1 41 41 VAL CB C 13 32.088 0.040 . 1 . . . . . 41 V CB . 26969 1 192 . 1 1 41 41 VAL N N 15 120.321 0.031 . 1 . . . . . 41 V N . 26969 1 193 . 1 1 42 42 TRP H H 1 8.186 0.002 . 1 . . . . . 42 W H . 26969 1 194 . 1 1 42 42 TRP C C 13 178.718 0.027 . 1 . . . . . 42 W C . 26969 1 195 . 1 1 42 42 TRP CA C 13 61.253 0.055 . 1 . . . . . 42 W CA . 26969 1 196 . 1 1 42 42 TRP CB C 13 29.170 0.079 . 1 . . . . . 42 W CB . 26969 1 197 . 1 1 42 42 TRP N N 15 121.173 0.017 . 1 . . . . . 42 W N . 26969 1 198 . 1 1 43 43 ASN H H 1 8.900 0.002 . 1 . . . . . 43 N H . 26969 1 199 . 1 1 43 43 ASN C C 13 175.591 0.022 . 1 . . . . . 43 N C . 26969 1 200 . 1 1 43 43 ASN CA C 13 55.467 0.020 . 1 . . . . . 43 N CA . 26969 1 201 . 1 1 43 43 ASN CB C 13 38.284 0.051 . 1 . . . . . 43 N CB . 26969 1 202 . 1 1 43 43 ASN N N 15 115.019 0.018 . 1 . . . . . 43 N N . 26969 1 203 . 1 1 44 44 ALA H H 1 7.083 0.004 . 1 . . . . . 44 A H . 26969 1 204 . 1 1 44 44 ALA C C 13 179.487 0.015 . 1 . . . . . 44 A C . 26969 1 205 . 1 1 44 44 ALA CA C 13 52.946 0.053 . 1 . . . . . 44 A CA . 26969 1 206 . 1 1 44 44 ALA CB C 13 19.665 0.087 . 1 . . . . . 44 A CB . 26969 1 207 . 1 1 44 44 ALA N N 15 116.595 0.045 . 1 . . . . . 44 A N . 26969 1 208 . 1 1 45 45 GLN H H 1 7.593 0.003 . 1 . . . . . 45 Q H . 26969 1 209 . 1 1 45 45 GLN C C 13 176.293 0.009 . 1 . . . . . 45 Q C . 26969 1 210 . 1 1 45 45 GLN CA C 13 56.426 0.064 . 1 . . . . . 45 Q CA . 26969 1 211 . 1 1 45 45 GLN CB C 13 30.302 0.076 . 1 . . . . . 45 Q CB . 26969 1 212 . 1 1 45 45 GLN N N 15 117.145 0.042 . 1 . . . . . 45 Q N . 26969 1 213 . 1 1 46 46 ALA H H 1 8.789 0.007 . 1 . . . . . 46 A H . 26969 1 214 . 1 1 46 46 ALA C C 13 178.815 0.031 . 1 . . . . . 46 A C . 26969 1 215 . 1 1 46 46 ALA CA C 13 52.450 0.081 . 1 . . . . . 46 A CA . 26969 1 216 . 1 1 46 46 ALA CB C 13 16.661 0.056 . 1 . . . . . 46 A CB . 26969 1 217 . 1 1 46 46 ALA N N 15 121.902 0.028 . 1 . . . . . 46 A N . 26969 1 218 . 1 1 47 47 GLY H H 1 8.773 0.008 . 1 . . . . . 47 G H . 26969 1 219 . 1 1 47 47 GLY C C 13 175.798 0.000 . 1 . . . . . 47 G C . 26969 1 220 . 1 1 47 47 GLY CA C 13 48.035 0.000 . 1 . . . . . 47 G CA . 26969 1 221 . 1 1 47 47 GLY N N 15 107.427 0.033 . 1 . . . . . 47 G N . 26969 1 222 . 1 1 48 48 ASN C C 13 174.577 0.010 . 1 . . . . . 48 N C . 26969 1 223 . 1 1 48 48 ASN CA C 13 55.498 0.031 . 1 . . . . . 48 N CA . 26969 1 224 . 1 1 48 48 ASN CB C 13 37.430 0.060 . 1 . . . . . 48 N CB . 26969 1 225 . 1 1 49 49 ALA H H 1 7.528 0.002 . 1 . . . . . 49 A H . 26969 1 226 . 1 1 49 49 ALA C C 13 177.308 0.011 . 1 . . . . . 49 A C . 26969 1 227 . 1 1 49 49 ALA CA C 13 52.823 0.037 . 1 . . . . . 49 A CA . 26969 1 228 . 1 1 49 49 ALA CB C 13 20.724 0.084 . 1 . . . . . 49 A CB . 26969 1 229 . 1 1 49 49 ALA N N 15 120.423 0.016 . 1 . . . . . 49 A N . 26969 1 230 . 1 1 50 50 GLY H H 1 8.159 0.001 . 1 . . . . . 50 G H . 26969 1 231 . 1 1 50 50 GLY C C 13 174.086 0.004 . 1 . . . . . 50 G C . 26969 1 232 . 1 1 50 50 GLY CA C 13 46.324 0.047 . 1 . . . . . 50 G CA . 26969 1 233 . 1 1 50 50 GLY N N 15 111.609 0.022 . 1 . . . . . 50 G N . 26969 1 234 . 1 1 51 51 ALA H H 1 8.135 0.005 . 1 . . . . . 51 A H . 26969 1 235 . 1 1 51 51 ALA C C 13 173.811 0.010 . 1 . . . . . 51 A C . 26969 1 236 . 1 1 51 51 ALA CA C 13 52.933 0.000 . 1 . . . . . 51 A CA . 26969 1 237 . 1 1 51 51 ALA CB C 13 22.518 0.093 . 1 . . . . . 51 A CB . 26969 1 238 . 1 1 51 51 ALA N N 15 122.744 0.012 . 1 . . . . . 51 A N . 26969 1 239 . 1 1 52 52 THR H H 1 7.742 0.007 . 1 . . . . . 52 T H . 26969 1 240 . 1 1 52 52 THR C C 13 172.439 0.005 . 1 . . . . . 52 T C . 26969 1 241 . 1 1 52 52 THR CA C 13 59.613 0.060 . 1 . . . . . 52 T CA . 26969 1 242 . 1 1 52 52 THR CB C 13 72.269 0.033 . 1 . . . . . 52 T CB . 26969 1 243 . 1 1 52 52 THR N N 15 107.128 0.020 . 1 . . . . . 52 T N . 26969 1 244 . 1 1 53 53 SER H H 1 9.110 0.005 . 1 . . . . . 53 S H . 26969 1 245 . 1 1 53 53 SER C C 13 174.293 0.000 . 1 . . . . . 53 S C . 26969 1 246 . 1 1 53 53 SER CA C 13 57.130 0.000 . 1 . . . . . 53 S CA . 26969 1 247 . 1 1 53 53 SER CB C 13 66.487 0.000 . 1 . . . . . 53 S CB . 26969 1 248 . 1 1 53 53 SER N N 15 117.460 0.022 . 1 . . . . . 53 S N . 26969 1 249 . 1 1 54 54 LYS C C 13 176.421 0.009 . 1 . . . . . 54 K C . 26969 1 250 . 1 1 54 54 LYS CA C 13 59.594 0.053 . 1 . . . . . 54 K CA . 26969 1 251 . 1 1 54 54 LYS CB C 13 32.326 0.047 . 1 . . . . . 54 K CB . 26969 1 252 . 1 1 55 55 TYR H H 1 7.283 0.003 . 1 . . . . . 55 Y H . 26969 1 253 . 1 1 55 55 TYR C C 13 175.206 0.006 . 1 . . . . . 55 Y C . 26969 1 254 . 1 1 55 55 TYR CA C 13 57.015 0.071 . 1 . . . . . 55 Y CA . 26969 1 255 . 1 1 55 55 TYR CB C 13 39.926 0.055 . 1 . . . . . 55 Y CB . 26969 1 256 . 1 1 55 55 TYR N N 15 110.901 0.041 . 1 . . . . . 55 Y N . 26969 1 257 . 1 1 56 56 VAL H H 1 7.418 0.001 . 1 . . . . . 56 V H . 26969 1 258 . 1 1 56 56 VAL C C 13 174.795 0.004 . 1 . . . . . 56 V C . 26969 1 259 . 1 1 56 56 VAL CA C 13 62.512 0.027 . 1 . . . . . 56 V CA . 26969 1 260 . 1 1 56 56 VAL CB C 13 35.650 0.031 . 1 . . . . . 56 V CB . 26969 1 261 . 1 1 56 56 VAL N N 15 122.548 0.024 . 1 . . . . . 56 V N . 26969 1 262 . 1 1 57 57 THR H H 1 8.858 0.003 . 1 . . . . . 57 T H . 26969 1 263 . 1 1 57 57 THR C C 13 174.363 0.013 . 1 . . . . . 57 T C . 26969 1 264 . 1 1 57 57 THR CA C 13 64.349 0.087 . 1 . . . . . 57 T CA . 26969 1 265 . 1 1 57 57 THR CB C 13 69.608 0.042 . 1 . . . . . 57 T CB . 26969 1 266 . 1 1 57 57 THR N N 15 122.113 0.019 . 1 . . . . . 57 T N . 26969 1 267 . 1 1 58 58 SER H H 1 7.445 0.001 . 1 . . . . . 58 S H . 26969 1 268 . 1 1 58 58 SER C C 13 173.085 0.008 . 1 . . . . . 58 S C . 26969 1 269 . 1 1 58 58 SER CA C 13 59.087 0.023 . 1 . . . . . 58 S CA . 26969 1 270 . 1 1 58 58 SER CB C 13 65.354 0.057 . 1 . . . . . 58 S CB . 26969 1 271 . 1 1 58 58 SER N N 15 111.416 0.015 . 1 . . . . . 58 S N . 26969 1 272 . 1 1 59 59 VAL H H 1 8.768 0.002 . 1 . . . . . 59 V H . 26969 1 273 . 1 1 59 59 VAL C C 13 174.875 0.001 . 1 . . . . . 59 V C . 26969 1 274 . 1 1 59 59 VAL CA C 13 62.676 0.033 . 1 . . . . . 59 V CA . 26969 1 275 . 1 1 59 59 VAL CB C 13 34.889 0.023 . 1 . . . . . 59 V CB . 26969 1 276 . 1 1 59 59 VAL N N 15 120.550 0.036 . 1 . . . . . 59 V N . 26969 1 277 . 1 1 60 60 ARG H H 1 8.524 0.001 . 1 . . . . . 60 R H . 26969 1 278 . 1 1 60 60 ARG C C 13 174.562 0.014 . 1 . . . . . 60 R C . 26969 1 279 . 1 1 60 60 ARG CA C 13 54.532 0.018 . 1 . . . . . 60 R CA . 26969 1 280 . 1 1 60 60 ARG CB C 13 34.570 0.034 . 1 . . . . . 60 R CB . 26969 1 281 . 1 1 60 60 ARG N N 15 125.964 0.021 . 1 . . . . . 60 R N . 26969 1 282 . 1 1 61 61 ILE H H 1 10.051 0.004 . 1 . . . . . 61 I H . 26969 1 283 . 1 1 61 61 ILE C C 13 176.344 0.009 . 1 . . . . . 61 I C . 26969 1 284 . 1 1 61 61 ILE CA C 13 60.783 0.009 . 1 . . . . . 61 I CA . 26969 1 285 . 1 1 61 61 ILE CB C 13 40.874 0.025 . 1 . . . . . 61 I CB . 26969 1 286 . 1 1 61 61 ILE N N 15 122.891 0.041 . 1 . . . . . 61 I N . 26969 1 287 . 1 1 62 62 ALA H H 1 8.976 0.001 . 1 . . . . . 62 A H . 26969 1 288 . 1 1 62 62 ALA C C 13 178.279 0.004 . 1 . . . . . 62 A C . 26969 1 289 . 1 1 62 62 ALA CA C 13 52.360 0.050 . 1 . . . . . 62 A CA . 26969 1 290 . 1 1 62 62 ALA CB C 13 19.611 0.072 . 1 . . . . . 62 A CB . 26969 1 291 . 1 1 62 62 ALA N N 15 131.704 0.015 . 1 . . . . . 62 A N . 26969 1 292 . 1 1 63 63 GLU H H 1 8.825 0.004 . 1 . . . . . 63 E H . 26969 1 293 . 1 1 63 63 GLU C C 13 176.301 0.009 . 1 . . . . . 63 E C . 26969 1 294 . 1 1 63 63 GLU CA C 13 60.181 0.045 . 1 . . . . . 63 E CA . 26969 1 295 . 1 1 63 63 GLU CB C 13 31.082 0.070 . 1 . . . . . 63 E CB . 26969 1 296 . 1 1 63 63 GLU N N 15 125.741 0.015 . 1 . . . . . 63 E N . 26969 1 297 . 1 1 64 64 ALA H H 1 8.470 0.005 . 1 . . . . . 64 A H . 26969 1 298 . 1 1 64 64 ALA C C 13 178.760 0.007 . 1 . . . . . 64 A C . 26969 1 299 . 1 1 64 64 ALA CA C 13 53.534 0.076 . 1 . . . . . 64 A CA . 26969 1 300 . 1 1 64 64 ALA CB C 13 20.326 0.079 . 1 . . . . . 64 A CB . 26969 1 301 . 1 1 64 64 ALA N N 15 114.004 0.017 . 1 . . . . . 64 A N . 26969 1 302 . 1 1 65 65 THR H H 1 6.777 0.002 . 1 . . . . . 65 T H . 26969 1 303 . 1 1 65 65 THR C C 13 175.629 0.027 . 1 . . . . . 65 T C . 26969 1 304 . 1 1 65 65 THR CA C 13 61.234 0.050 . 1 . . . . . 65 T CA . 26969 1 305 . 1 1 65 65 THR CB C 13 72.096 0.039 . 1 . . . . . 65 T CB . 26969 1 306 . 1 1 65 65 THR N N 15 100.702 0.036 . 1 . . . . . 65 T N . 26969 1 307 . 1 1 66 66 GLY H H 1 8.566 0.003 . 1 . . . . . 66 G H . 26969 1 308 . 1 1 66 66 GLY C C 13 170.313 0.003 . 1 . . . . . 66 G C . 26969 1 309 . 1 1 66 66 GLY CA C 13 46.689 0.041 . 1 . . . . . 66 G CA . 26969 1 310 . 1 1 66 66 GLY N N 15 110.295 0.010 . 1 . . . . . 66 G N . 26969 1 311 . 1 1 67 67 GLU H H 1 7.583 0.002 . 1 . . . . . 67 E H . 26969 1 312 . 1 1 67 67 GLU C C 13 176.949 0.005 . 1 . . . . . 67 E C . 26969 1 313 . 1 1 67 67 GLU CA C 13 58.370 0.053 . 1 . . . . . 67 E CA . 26969 1 314 . 1 1 67 67 GLU CB C 13 31.921 0.046 . 1 . . . . . 67 E CB . 26969 1 315 . 1 1 67 67 GLU N N 15 115.386 0.031 . 1 . . . . . 67 E N . 26969 1 316 . 1 1 68 68 ILE H H 1 9.845 0.003 . 1 . . . . . 68 I H . 26969 1 317 . 1 1 68 68 ILE C C 13 175.540 0.009 . 1 . . . . . 68 I C . 26969 1 318 . 1 1 68 68 ILE CA C 13 60.779 0.013 . 1 . . . . . 68 I CA . 26969 1 319 . 1 1 68 68 ILE CB C 13 42.077 0.027 . 1 . . . . . 68 I CB . 26969 1 320 . 1 1 68 68 ILE N N 15 129.413 0.022 . 1 . . . . . 68 I N . 26969 1 321 . 1 1 69 69 THR H H 1 9.499 0.005 . 1 . . . . . 69 T H . 26969 1 322 . 1 1 69 69 THR C C 13 175.396 0.026 . 1 . . . . . 69 T C . 26969 1 323 . 1 1 69 69 THR CA C 13 62.507 0.060 . 1 . . . . . 69 T CA . 26969 1 324 . 1 1 69 69 THR CB C 13 70.292 0.024 . 1 . . . . . 69 T CB . 26969 1 325 . 1 1 69 69 THR N N 15 123.522 0.014 . 1 . . . . . 69 T N . 26969 1 326 . 1 1 70 70 VAL H H 1 9.596 0.006 . 1 . . . . . 70 V H . 26969 1 327 . 1 1 70 70 VAL C C 13 173.855 0.007 . 1 . . . . . 70 V C . 26969 1 328 . 1 1 70 70 VAL CA C 13 62.286 0.003 . 1 . . . . . 70 V CA . 26969 1 329 . 1 1 70 70 VAL CB C 13 33.750 0.036 . 1 . . . . . 70 V CB . 26969 1 330 . 1 1 70 70 VAL N N 15 133.487 0.067 . 1 . . . . . 70 V N . 26969 1 331 . 1 1 71 71 THR H H 1 8.690 0.001 . 1 . . . . . 71 T H . 26969 1 332 . 1 1 71 71 THR C C 13 174.584 0.005 . 1 . . . . . 71 T C . 26969 1 333 . 1 1 71 71 THR CA C 13 62.233 0.009 . 1 . . . . . 71 T CA . 26969 1 334 . 1 1 71 71 THR CB C 13 69.276 0.042 . 1 . . . . . 71 T CB . 26969 1 335 . 1 1 71 71 THR N N 15 122.917 0.028 . 1 . . . . . 71 T N . 26969 1 336 . 1 1 72 72 PHE H H 1 9.170 0.004 . 1 . . . . . 72 F H . 26969 1 337 . 1 1 72 72 PHE C C 13 174.162 0.001 . 1 . . . . . 72 F C . 26969 1 338 . 1 1 72 72 PHE CA C 13 59.606 0.045 . 1 . . . . . 72 F CA . 26969 1 339 . 1 1 72 72 PHE CB C 13 41.453 0.053 . 1 . . . . . 72 F CB . 26969 1 340 . 1 1 72 72 PHE N N 15 125.043 0.038 . 1 . . . . . 72 F N . 26969 1 341 . 1 1 73 73 ASN H H 1 8.442 0.002 . 1 . . . . . 73 N H . 26969 1 342 . 1 1 73 73 ASN C C 13 175.063 0.002 . 1 . . . . . 73 N C . 26969 1 343 . 1 1 73 73 ASN CA C 13 52.153 0.055 . 1 . . . . . 73 N CA . 26969 1 344 . 1 1 73 73 ASN CB C 13 37.914 0.066 . 1 . . . . . 73 N CB . 26969 1 345 . 1 1 73 73 ASN N N 15 117.898 0.031 . 1 . . . . . 73 N N . 26969 1 346 . 1 1 74 74 ALA H H 1 9.168 0.005 . 1 . . . . . 74 A H . 26969 1 347 . 1 1 74 74 ALA C C 13 179.361 0.003 . 1 . . . . . 74 A C . 26969 1 348 . 1 1 74 74 ALA CA C 13 56.401 0.102 . 1 . . . . . 74 A CA . 26969 1 349 . 1 1 74 74 ALA CB C 13 19.960 0.082 . 1 . . . . . 74 A CB . 26969 1 350 . 1 1 74 74 ALA N N 15 128.484 0.036 . 1 . . . . . 74 A N . 26969 1 351 . 1 1 75 75 THR H H 1 7.933 0.002 . 1 . . . . . 75 T H . 26969 1 352 . 1 1 75 75 THR C C 13 175.380 0.007 . 1 . . . . . 75 T C . 26969 1 353 . 1 1 75 75 THR CA C 13 66.402 0.018 . 1 . . . . . 75 T CA . 26969 1 354 . 1 1 75 75 THR CB C 13 68.978 0.043 . 1 . . . . . 75 T CB . 26969 1 355 . 1 1 75 75 THR N N 15 112.793 0.015 . 1 . . . . . 75 T N . 26969 1 356 . 1 1 76 76 ASN H H 1 7.201 0.002 . 1 . . . . . 76 N H . 26969 1 357 . 1 1 76 76 ASN C C 13 176.935 0.013 . 1 . . . . . 76 N C . 26969 1 358 . 1 1 76 76 ASN CA C 13 53.613 0.081 . 1 . . . . . 76 N CA . 26969 1 359 . 1 1 76 76 ASN CB C 13 38.999 0.052 . 1 . . . . . 76 N CB . 26969 1 360 . 1 1 76 76 ASN N N 15 115.925 0.027 . 1 . . . . . 76 N N . 26969 1 361 . 1 1 77 77 VAL H H 1 8.328 0.003 . 1 . . . . . 77 V H . 26969 1 362 . 1 1 77 77 VAL C C 13 175.133 0.008 . 1 . . . . . 77 V C . 26969 1 363 . 1 1 77 77 VAL CA C 13 67.175 0.015 . 1 . . . . . 77 V CA . 26969 1 364 . 1 1 77 77 VAL CB C 13 33.010 0.042 . 1 . . . . . 77 V CB . 26969 1 365 . 1 1 77 77 VAL N N 15 120.589 0.019 . 1 . . . . . 77 V N . 26969 1 366 . 1 1 78 78 GLY H H 1 7.606 0.003 . 1 . . . . . 78 G H . 26969 1 367 . 1 1 78 78 GLY C C 13 172.414 0.007 . 1 . . . . . 78 G C . 26969 1 368 . 1 1 78 78 GLY CA C 13 44.875 0.034 . 1 . . . . . 78 G CA . 26969 1 369 . 1 1 78 78 GLY N N 15 104.027 0.025 . 1 . . . . . 78 G N . 26969 1 370 . 1 1 79 79 ASN H H 1 8.091 0.005 . 1 . . . . . 79 N H . 26969 1 371 . 1 1 79 79 ASN C C 13 173.693 0.004 . 1 . . . . . 79 N C . 26969 1 372 . 1 1 79 79 ASN CA C 13 55.363 0.042 . 1 . . . . . 79 N CA . 26969 1 373 . 1 1 79 79 ASN CB C 13 38.000 0.157 . 1 . . . . . 79 N CB . 26969 1 374 . 1 1 79 79 ASN N N 15 115.587 0.015 . 1 . . . . . 79 N N . 26969 1 375 . 1 1 80 80 ILE H H 1 7.504 0.002 . 1 . . . . . 80 I H . 26969 1 376 . 1 1 80 80 ILE C C 13 172.746 0.000 . 1 . . . . . 80 I C . 26969 1 377 . 1 1 80 80 ILE CA C 13 58.883 0.000 . 1 . . . . . 80 I CA . 26969 1 378 . 1 1 80 80 ILE CB C 13 38.804 0.000 . 1 . . . . . 80 I CB . 26969 1 379 . 1 1 80 80 ILE N N 15 111.602 0.027 . 1 . . . . . 80 I N . 26969 1 380 . 1 1 81 81 PRO C C 13 177.322 0.000 . 1 . . . . . 81 P C . 26969 1 381 . 1 1 81 81 PRO CA C 13 63.082 0.047 . 1 . . . . . 81 P CA . 26969 1 382 . 1 1 81 81 PRO CB C 13 32.074 0.070 . 1 . . . . . 81 P CB . 26969 1 383 . 1 1 82 82 ALA H H 1 8.590 0.005 . 1 . . . . . 82 A H . 26969 1 384 . 1 1 82 82 ALA C C 13 177.640 0.024 . 1 . . . . . 82 A C . 26969 1 385 . 1 1 82 82 ALA CA C 13 53.728 0.061 . 1 . . . . . 82 A CA . 26969 1 386 . 1 1 82 82 ALA CB C 13 18.661 0.076 . 1 . . . . . 82 A CB . 26969 1 387 . 1 1 82 82 ALA N N 15 125.769 0.008 . 1 . . . . . 82 A N . 26969 1 388 . 1 1 83 83 ASP H H 1 9.246 0.008 . 1 . . . . . 83 D H . 26969 1 389 . 1 1 83 83 ASP C C 13 174.767 0.002 . 1 . . . . . 83 D C . 26969 1 390 . 1 1 83 83 ASP CA C 13 55.491 0.039 . 1 . . . . . 83 D CA . 26969 1 391 . 1 1 83 83 ASP CB C 13 39.399 0.067 . 1 . . . . . 83 D CB . 26969 1 392 . 1 1 83 83 ASP N N 15 117.586 0.013 . 1 . . . . . 83 D N . 26969 1 393 . 1 1 84 84 SER H H 1 7.821 0.007 . 1 . . . . . 84 S H . 26969 1 394 . 1 1 84 84 SER C C 13 175.002 0.025 . 1 . . . . . 84 S C . 26969 1 395 . 1 1 84 84 SER CA C 13 61.725 0.052 . 1 . . . . . 84 S CA . 26969 1 396 . 1 1 84 84 SER CB C 13 67.225 0.057 . 1 . . . . . 84 S CB . 26969 1 397 . 1 1 84 84 SER N N 15 114.581 0.013 . 1 . . . . . 84 S N . 26969 1 398 . 1 1 85 85 THR H H 1 8.400 0.003 . 1 . . . . . 85 T H . 26969 1 399 . 1 1 85 85 THR C C 13 176.480 0.009 . 1 . . . . . 85 T C . 26969 1 400 . 1 1 85 85 THR CA C 13 59.252 0.029 . 1 . . . . . 85 T CA . 26969 1 401 . 1 1 85 85 THR CB C 13 73.787 0.039 . 1 . . . . . 85 T CB . 26969 1 402 . 1 1 85 85 THR N N 15 111.514 0.017 . 1 . . . . . 85 T N . 26969 1 403 . 1 1 86 86 LEU H H 1 8.509 0.002 . 1 . . . . . 86 L H . 26969 1 404 . 1 1 86 86 LEU C C 13 175.048 0.011 . 1 . . . . . 86 L C . 26969 1 405 . 1 1 86 86 LEU CA C 13 54.560 0.029 . 1 . . . . . 86 L CA . 26969 1 406 . 1 1 86 86 LEU CB C 13 48.177 0.055 . 1 . . . . . 86 L CB . 26969 1 407 . 1 1 86 86 LEU N N 15 118.073 0.045 . 1 . . . . . 86 L N . 26969 1 408 . 1 1 87 87 VAL H H 1 8.488 0.001 . 1 . . . . . 87 V H . 26969 1 409 . 1 1 87 87 VAL C C 13 176.550 0.002 . 1 . . . . . 87 V C . 26969 1 410 . 1 1 87 87 VAL CA C 13 61.395 0.062 . 1 . . . . . 87 V CA . 26969 1 411 . 1 1 87 87 VAL CB C 13 36.195 0.036 . 1 . . . . . 87 V CB . 26969 1 412 . 1 1 87 87 VAL N N 15 121.262 0.043 . 1 . . . . . 87 V N . 26969 1 413 . 1 1 88 88 PHE H H 1 10.045 0.003 . 1 . . . . . 88 F H . 26969 1 414 . 1 1 88 88 PHE C C 13 175.920 0.013 . 1 . . . . . 88 F C . 26969 1 415 . 1 1 88 88 PHE CA C 13 56.384 0.071 . 1 . . . . . 88 F CA . 26969 1 416 . 1 1 88 88 PHE CB C 13 42.213 0.005 . 1 . . . . . 88 F CB . 26969 1 417 . 1 1 88 88 PHE N N 15 128.405 0.016 . 1 . . . . . 88 F N . 26969 1 418 . 1 1 89 89 THR H H 1 8.622 0.002 . 1 . . . . . 89 T H . 26969 1 419 . 1 1 89 89 THR C C 13 172.737 0.000 . 1 . . . . . 89 T C . 26969 1 420 . 1 1 89 89 THR CA C 13 61.008 0.000 . 1 . . . . . 89 T CA . 26969 1 421 . 1 1 89 89 THR CB C 13 70.937 0.000 . 1 . . . . . 89 T CB . 26969 1 422 . 1 1 89 89 THR N N 15 122.930 0.043 . 1 . . . . . 89 T N . 26969 1 423 . 1 1 90 90 PRO C C 13 176.980 0.006 . 1 . . . . . 90 P C . 26969 1 424 . 1 1 90 90 PRO CA C 13 62.397 0.012 . 1 . . . . . 90 P CA . 26969 1 425 . 1 1 90 90 PRO CB C 13 30.560 0.071 . 1 . . . . . 90 P CB . 26969 1 426 . 1 1 91 91 TYR H H 1 9.224 0.001 . 1 . . . . . 91 Y H . 26969 1 427 . 1 1 91 91 TYR C C 13 173.346 0.006 . 1 . . . . . 91 Y C . 26969 1 428 . 1 1 91 91 TYR CA C 13 57.699 0.029 . 1 . . . . . 91 Y CA . 26969 1 429 . 1 1 91 91 TYR CB C 13 43.621 0.048 . 1 . . . . . 91 Y CB . 26969 1 430 . 1 1 91 91 TYR N N 15 122.797 0.028 . 1 . . . . . 91 Y N . 26969 1 431 . 1 1 92 92 VAL H H 1 9.137 0.002 . 1 . . . . . 92 V H . 26969 1 432 . 1 1 92 92 VAL C C 13 176.127 0.005 . 1 . . . . . 92 V C . 26969 1 433 . 1 1 92 92 VAL CA C 13 61.659 0.054 . 1 . . . . . 92 V CA . 26969 1 434 . 1 1 92 92 VAL CB C 13 33.023 0.043 . 1 . . . . . 92 V CB . 26969 1 435 . 1 1 92 92 VAL N N 15 120.678 0.013 . 1 . . . . . 92 V N . 26969 1 436 . 1 1 93 93 GLN H H 1 8.819 0.002 . 1 . . . . . 93 Q H . 26969 1 437 . 1 1 93 93 GLN C C 13 175.026 0.003 . 1 . . . . . 93 Q C . 26969 1 438 . 1 1 93 93 GLN CA C 13 56.080 0.042 . 1 . . . . . 93 Q CA . 26969 1 439 . 1 1 93 93 GLN CB C 13 29.482 0.078 . 1 . . . . . 93 Q CB . 26969 1 440 . 1 1 93 93 GLN N N 15 126.834 0.025 . 1 . . . . . 93 Q N . 26969 1 441 . 1 1 94 94 ASN H H 1 8.647 0.004 . 1 . . . . . 94 N H . 26969 1 442 . 1 1 94 94 ASN C C 13 174.933 0.025 . 1 . . . . . 94 N C . 26969 1 443 . 1 1 94 94 ASN CA C 13 52.715 0.015 . 1 . . . . . 94 N CA . 26969 1 444 . 1 1 94 94 ASN CB C 13 41.112 0.056 . 1 . . . . . 94 N CB . 26969 1 445 . 1 1 94 94 ASN N N 15 121.588 0.020 . 1 . . . . . 94 N N . 26969 1 446 . 1 1 95 95 ALA H H 1 8.550 0.005 . 1 . . . . . 95 A H . 26969 1 447 . 1 1 95 95 ALA C C 13 177.614 0.009 . 1 . . . . . 95 A C . 26969 1 448 . 1 1 95 95 ALA CA C 13 54.280 0.033 . 1 . . . . . 95 A CA . 26969 1 449 . 1 1 95 95 ALA CB C 13 18.979 0.095 . 1 . . . . . 95 A CB . 26969 1 450 . 1 1 95 95 ALA N N 15 124.794 0.032 . 1 . . . . . 95 A N . 26969 1 451 . 1 1 96 96 ALA H H 1 7.988 0.001 . 1 . . . . . 96 A H . 26969 1 452 . 1 1 96 96 ALA C C 13 177.330 0.009 . 1 . . . . . 96 A C . 26969 1 453 . 1 1 96 96 ALA CA C 13 52.349 0.052 . 1 . . . . . 96 A CA . 26969 1 454 . 1 1 96 96 ALA CB C 13 19.727 0.082 . 1 . . . . . 96 A CB . 26969 1 455 . 1 1 96 96 ALA N N 15 120.113 0.028 . 1 . . . . . 96 A N . 26969 1 456 . 1 1 97 97 GLY H H 1 7.714 0.004 . 1 . . . . . 97 G H . 26969 1 457 . 1 1 97 97 GLY C C 13 172.361 0.004 . 1 . . . . . 97 G C . 26969 1 458 . 1 1 97 97 GLY CA C 13 45.797 0.052 . 1 . . . . . 97 G CA . 26969 1 459 . 1 1 97 97 GLY N N 15 107.623 0.021 . 1 . . . . . 97 G N . 26969 1 460 . 1 1 98 98 ALA H H 1 8.168 0.006 . 1 . . . . . 98 A H . 26969 1 461 . 1 1 98 98 ALA C C 13 175.147 0.000 . 1 . . . . . 98 A C . 26969 1 462 . 1 1 98 98 ALA CA C 13 50.729 0.000 . 1 . . . . . 98 A CA . 26969 1 463 . 1 1 98 98 ALA CB C 13 18.173 0.000 . 1 . . . . . 98 A CB . 26969 1 464 . 1 1 98 98 ALA N N 15 124.989 0.014 . 1 . . . . . 98 A N . 26969 1 465 . 1 1 99 99 PRO C C 13 176.554 0.008 . 1 . . . . . 99 P C . 26969 1 466 . 1 1 99 99 PRO CA C 13 63.823 0.009 . 1 . . . . . 99 P CA . 26969 1 467 . 1 1 99 99 PRO CB C 13 33.026 0.060 . 1 . . . . . 99 P CB . 26969 1 468 . 1 1 100 100 THR H H 1 8.519 0.002 . 1 . . . . . 100 T H . 26969 1 469 . 1 1 100 100 THR C C 13 173.393 0.009 . 1 . . . . . 100 T C . 26969 1 470 . 1 1 100 100 THR CA C 13 62.356 0.090 . 1 . . . . . 100 T CA . 26969 1 471 . 1 1 100 100 THR CB C 13 71.081 0.044 . 1 . . . . . 100 T CB . 26969 1 472 . 1 1 100 100 THR N N 15 119.297 0.021 . 1 . . . . . 100 T N . 26969 1 473 . 1 1 101 101 GLN H H 1 9.602 0.005 . 1 . . . . . 101 Q H . 26969 1 474 . 1 1 101 101 GLN C C 13 177.300 0.009 . 1 . . . . . 101 Q C . 26969 1 475 . 1 1 101 101 GLN CA C 13 59.718 0.060 . 1 . . . . . 101 Q CA . 26969 1 476 . 1 1 101 101 GLN CB C 13 27.116 0.083 . 1 . . . . . 101 Q CB . 26969 1 477 . 1 1 101 101 GLN N N 15 133.595 0.052 . 1 . . . . . 101 Q N . 26969 1 478 . 1 1 102 102 LEU H H 1 7.411 0.002 . 1 . . . . . 102 L H . 26969 1 479 . 1 1 102 102 LEU C C 13 178.218 0.004 . 1 . . . . . 102 L C . 26969 1 480 . 1 1 102 102 LEU CA C 13 59.683 0.058 . 1 . . . . . 102 L CA . 26969 1 481 . 1 1 102 102 LEU CB C 13 42.964 0.054 . 1 . . . . . 102 L CB . 26969 1 482 . 1 1 102 102 LEU N N 15 124.610 0.022 . 1 . . . . . 102 L N . 26969 1 483 . 1 1 103 103 GLY H H 1 7.871 0.001 . 1 . . . . . 103 G H . 26969 1 484 . 1 1 103 103 GLY C C 13 174.185 0.003 . 1 . . . . . 103 G C . 26969 1 485 . 1 1 103 103 GLY CA C 13 47.956 0.050 . 1 . . . . . 103 G CA . 26969 1 486 . 1 1 103 103 GLY N N 15 101.562 0.016 . 1 . . . . . 103 G N . 26969 1 487 . 1 1 104 104 ALA H H 1 6.949 0.002 . 1 . . . . . 104 A H . 26969 1 488 . 1 1 104 104 ALA C C 13 179.000 0.004 . 1 . . . . . 104 A C . 26969 1 489 . 1 1 104 104 ALA CA C 13 52.824 0.045 . 1 . . . . . 104 A CA . 26969 1 490 . 1 1 104 104 ALA CB C 13 19.361 0.080 . 1 . . . . . 104 A CB . 26969 1 491 . 1 1 104 104 ALA N N 15 121.005 0.025 . 1 . . . . . 104 A N . 26969 1 492 . 1 1 105 105 SER H H 1 7.593 0.001 . 1 . . . . . 105 S H . 26969 1 493 . 1 1 105 105 SER C C 13 175.315 0.001 . 1 . . . . . 105 S C . 26969 1 494 . 1 1 105 105 SER CA C 13 62.601 0.053 . 1 . . . . . 105 S CA . 26969 1 495 . 1 1 105 105 SER CB C 13 61.731 0.020 . 1 . . . . . 105 S CB . 26969 1 496 . 1 1 105 105 SER N N 15 116.008 0.007 . 1 . . . . . 105 S N . 26969 1 497 . 1 1 106 106 TYR H H 1 6.261 0.005 . 1 . . . . . 106 Y H . 26969 1 498 . 1 1 106 106 TYR C C 13 179.375 0.001 . 1 . . . . . 106 Y C . 26969 1 499 . 1 1 106 106 TYR CA C 13 60.605 0.014 . 1 . . . . . 106 Y CA . 26969 1 500 . 1 1 106 106 TYR CB C 13 37.435 0.055 . 1 . . . . . 106 Y CB . 26969 1 501 . 1 1 106 106 TYR N N 15 122.555 0.021 . 1 . . . . . 106 Y N . 26969 1 502 . 1 1 107 107 ALA H H 1 8.615 0.008 . 1 . . . . . 107 A H . 26969 1 503 . 1 1 107 107 ALA C C 13 178.955 0.004 . 1 . . . . . 107 A C . 26969 1 504 . 1 1 107 107 ALA CA C 13 54.662 0.063 . 1 . . . . . 107 A CA . 26969 1 505 . 1 1 107 107 ALA CB C 13 18.546 0.056 . 1 . . . . . 107 A CB . 26969 1 506 . 1 1 107 107 ALA N N 15 122.266 0.028 . 1 . . . . . 107 A N . 26969 1 507 . 1 1 108 108 ALA H H 1 7.143 0.002 . 1 . . . . . 108 A H . 26969 1 508 . 1 1 108 108 ALA C C 13 177.671 0.007 . 1 . . . . . 108 A C . 26969 1 509 . 1 1 108 108 ALA CA C 13 52.695 0.021 . 1 . . . . . 108 A CA . 26969 1 510 . 1 1 108 108 ALA CB C 13 19.917 0.052 . 1 . . . . . 108 A CB . 26969 1 511 . 1 1 108 108 ALA N N 15 116.622 0.022 . 1 . . . . . 108 A N . 26969 1 512 . 1 1 109 109 GLY H H 1 7.770 0.002 . 1 . . . . . 109 G H . 26969 1 513 . 1 1 109 109 GLY C C 13 174.641 0.016 . 1 . . . . . 109 G C . 26969 1 514 . 1 1 109 109 GLY CA C 13 46.903 0.036 . 1 . . . . . 109 G CA . 26969 1 515 . 1 1 109 109 GLY N N 15 107.749 0.032 . 1 . . . . . 109 G N . 26969 1 516 . 1 1 110 110 VAL H H 1 7.553 0.004 . 1 . . . . . 110 V H . 26969 1 517 . 1 1 110 110 VAL C C 13 174.536 0.004 . 1 . . . . . 110 V C . 26969 1 518 . 1 1 110 110 VAL CA C 13 61.678 0.046 . 1 . . . . . 110 V CA . 26969 1 519 . 1 1 110 110 VAL CB C 13 34.232 0.032 . 1 . . . . . 110 V CB . 26969 1 520 . 1 1 110 110 VAL N N 15 117.567 0.007 . 1 . . . . . 110 V N . 26969 1 521 . 1 1 111 111 THR H H 1 8.114 0.008 . 1 . . . . . 111 T H . 26969 1 522 . 1 1 111 111 THR C C 13 172.708 0.007 . 1 . . . . . 111 T C . 26969 1 523 . 1 1 111 111 THR CA C 13 59.968 0.054 . 1 . . . . . 111 T CA . 26969 1 524 . 1 1 111 111 THR CB C 13 71.661 0.047 . 1 . . . . . 111 T CB . 26969 1 525 . 1 1 111 111 THR N N 15 117.025 0.007 . 1 . . . . . 111 T N . 26969 1 526 . 1 1 112 112 GLY H H 1 7.955 0.003 . 1 . . . . . 112 G H . 26969 1 527 . 1 1 112 112 GLY C C 13 172.197 0.011 . 1 . . . . . 112 G C . 26969 1 528 . 1 1 112 112 GLY CA C 13 45.337 0.043 . 1 . . . . . 112 G CA . 26969 1 529 . 1 1 112 112 GLY N N 15 108.642 0.019 . 1 . . . . . 112 G N . 26969 1 530 . 1 1 113 113 SER H H 1 8.289 0.007 . 1 . . . . . 113 S H . 26969 1 531 . 1 1 113 113 SER C C 13 173.241 0.007 . 1 . . . . . 113 S C . 26969 1 532 . 1 1 113 113 SER CA C 13 58.891 0.019 . 1 . . . . . 113 S CA . 26969 1 533 . 1 1 113 113 SER CB C 13 64.483 0.055 . 1 . . . . . 113 S CB . 26969 1 534 . 1 1 113 113 SER N N 15 115.977 0.008 . 1 . . . . . 113 S N . 26969 1 535 . 1 1 114 114 ILE H H 1 8.384 0.005 . 1 . . . . . 114 I H . 26969 1 536 . 1 1 114 114 ILE C C 13 175.811 0.008 . 1 . . . . . 114 I C . 26969 1 537 . 1 1 114 114 ILE CA C 13 60.540 0.025 . 1 . . . . . 114 I CA . 26969 1 538 . 1 1 114 114 ILE CB C 13 39.466 0.017 . 1 . . . . . 114 I CB . 26969 1 539 . 1 1 114 114 ILE N N 15 122.249 0.045 . 1 . . . . . 114 I N . 26969 1 540 . 1 1 115 115 ASP H H 1 8.970 0.002 . 1 . . . . . 115 D H . 26969 1 541 . 1 1 115 115 ASP C C 13 173.657 0.006 . 1 . . . . . 115 D C . 26969 1 542 . 1 1 115 115 ASP CA C 13 52.445 0.034 . 1 . . . . . 115 D CA . 26969 1 543 . 1 1 115 115 ASP CB C 13 45.215 0.053 . 1 . . . . . 115 D CB . 26969 1 544 . 1 1 115 115 ASP N N 15 127.799 0.034 . 1 . . . . . 115 D N . 26969 1 545 . 1 1 116 116 TRP H H 1 8.993 0.002 . 1 . . . . . 116 W H . 26969 1 546 . 1 1 116 116 TRP C C 13 177.567 0.015 . 1 . . . . . 116 W C . 26969 1 547 . 1 1 116 116 TRP CA C 13 57.307 0.035 . 1 . . . . . 116 W CA . 26969 1 548 . 1 1 116 116 TRP CB C 13 32.515 0.072 . 1 . . . . . 116 W CB . 26969 1 549 . 1 1 116 116 TRP N N 15 119.064 0.028 . 1 . . . . . 116 W N . 26969 1 550 . 1 1 117 117 GLY H H 1 9.146 0.001 . 1 . . . . . 117 G H . 26969 1 551 . 1 1 117 117 GLY C C 13 172.410 0.009 . 1 . . . . . 117 G C . 26969 1 552 . 1 1 117 117 GLY CA C 13 44.332 0.048 . 1 . . . . . 117 G CA . 26969 1 553 . 1 1 117 117 GLY N N 15 111.721 0.016 . 1 . . . . . 117 G N . 26969 1 554 . 1 1 118 118 CYS H H 1 8.000 0.001 . 1 . . . . . 118 C H . 26969 1 555 . 1 1 118 118 CYS C C 13 171.041 0.013 . 1 . . . . . 118 C C . 26969 1 556 . 1 1 118 118 CYS CA C 13 54.554 0.033 . 1 . . . . . 118 C CA . 26969 1 557 . 1 1 118 118 CYS CB C 13 47.290 0.068 . 1 . . . . . 118 C CB . 26969 1 558 . 1 1 118 118 CYS N N 15 119.751 0.044 . 1 . . . . . 118 C N . 26969 1 559 . 1 1 119 119 ALA H H 1 9.279 0.002 . 1 . . . . . 119 A H . 26969 1 560 . 1 1 119 119 ALA C C 13 175.082 0.016 . 1 . . . . . 119 A C . 26969 1 561 . 1 1 119 119 ALA CA C 13 52.373 0.041 . 1 . . . . . 119 A CA . 26969 1 562 . 1 1 119 119 ALA CB C 13 24.027 0.071 . 1 . . . . . 119 A CB . 26969 1 563 . 1 1 119 119 ALA N N 15 131.545 0.031 . 1 . . . . . 119 A N . 26969 1 564 . 1 1 120 120 SER H H 1 8.171 0.004 . 1 . . . . . 120 S H . 26969 1 565 . 1 1 120 120 SER C C 13 173.611 0.001 . 1 . . . . . 120 S C . 26969 1 566 . 1 1 120 120 SER CA C 13 57.500 0.010 . 1 . . . . . 120 S CA . 26969 1 567 . 1 1 120 120 SER CB C 13 65.192 0.054 . 1 . . . . . 120 S CB . 26969 1 568 . 1 1 120 120 SER N N 15 121.202 0.021 . 1 . . . . . 120 S N . 26969 1 569 . 1 1 121 121 GLU H H 1 8.267 0.002 . 1 . . . . . 121 E H . 26969 1 570 . 1 1 121 121 GLU C C 13 176.267 0.002 . 1 . . . . . 121 E C . 26969 1 571 . 1 1 121 121 GLU CA C 13 59.025 0.033 . 1 . . . . . 121 E CA . 26969 1 572 . 1 1 121 121 GLU CB C 13 29.253 0.054 . 1 . . . . . 121 E CB . 26969 1 573 . 1 1 121 121 GLU N N 15 120.995 0.012 . 1 . . . . . 121 E N . 26969 1 574 . 1 1 122 122 SER H H 1 8.283 0.005 . 1 . . . . . 122 S H . 26969 1 575 . 1 1 122 122 SER C C 13 172.123 0.007 . 1 . . . . . 122 S C . 26969 1 576 . 1 1 122 122 SER CA C 13 56.812 0.054 . 1 . . . . . 122 S CA . 26969 1 577 . 1 1 122 122 SER CB C 13 66.199 0.042 . 1 . . . . . 122 S CB . 26969 1 578 . 1 1 122 122 SER N N 15 113.701 0.024 . 1 . . . . . 122 S N . 26969 1 579 . 1 1 123 123 ASN H H 1 8.604 0.003 . 1 . . . . . 123 N H . 26969 1 580 . 1 1 123 123 ASN C C 13 176.861 0.012 . 1 . . . . . 123 N C . 26969 1 581 . 1 1 123 123 ASN CA C 13 51.343 0.017 . 1 . . . . . 123 N CA . 26969 1 582 . 1 1 123 123 ASN CB C 13 42.850 0.067 . 1 . . . . . 123 N CB . 26969 1 583 . 1 1 123 123 ASN N N 15 121.644 0.043 . 1 . . . . . 123 N N . 26969 1 584 . 1 1 124 124 ALA H H 1 8.899 0.003 . 1 . . . . . 124 A H . 26969 1 585 . 1 1 124 124 ALA C C 13 180.491 0.007 . 1 . . . . . 124 A C . 26969 1 586 . 1 1 124 124 ALA CA C 13 56.395 0.070 . 1 . . . . . 124 A CA . 26969 1 587 . 1 1 124 124 ALA CB C 13 19.636 0.055 . 1 . . . . . 124 A CB . 26969 1 588 . 1 1 124 124 ALA N N 15 128.779 0.032 . 1 . . . . . 124 A N . 26969 1 589 . 1 1 125 125 VAL H H 1 10.092 0.000 . 1 . . . . . 125 V H . 26969 1 590 . 1 1 125 125 VAL C C 13 180.851 0.017 . 1 . . . . . 125 V C . 26969 1 591 . 1 1 125 125 VAL CA C 13 67.250 0.019 . 1 . . . . . 125 V CA . 26969 1 592 . 1 1 125 125 VAL CB C 13 31.631 0.034 . 1 . . . . . 125 V CB . 26969 1 593 . 1 1 125 125 VAL N N 15 120.231 0.009 . 1 . . . . . 125 V N . 26969 1 594 . 1 1 126 126 SER H H 1 9.497 0.006 . 1 . . . . . 126 S H . 26969 1 595 . 1 1 126 126 SER C C 13 173.769 0.007 . 1 . . . . . 126 S C . 26969 1 596 . 1 1 126 126 SER CA C 13 63.028 0.087 . 1 . . . . . 126 S CA . 26969 1 597 . 1 1 126 126 SER CB C 13 64.419 0.100 . 1 . . . . . 126 S CB . 26969 1 598 . 1 1 126 126 SER N N 15 114.190 0.013 . 1 . . . . . 126 S N . 26969 1 599 . 1 1 127 127 SER H H 1 7.340 0.002 . 1 . . . . . 127 S H . 26969 1 600 . 1 1 127 127 SER C C 13 174.341 0.006 . 1 . . . . . 127 S C . 26969 1 601 . 1 1 127 127 SER CA C 13 59.575 0.046 . 1 . . . . . 127 S CA . 26969 1 602 . 1 1 127 127 SER CB C 13 64.290 0.057 . 1 . . . . . 127 S CB . 26969 1 603 . 1 1 127 127 SER N N 15 110.519 0.027 . 1 . . . . . 127 S N . 26969 1 604 . 1 1 128 128 GLY H H 1 7.309 0.002 . 1 . . . . . 128 G H . 26969 1 605 . 1 1 128 128 GLY C C 13 172.456 0.000 . 1 . . . . . 128 G C . 26969 1 606 . 1 1 128 128 GLY CA C 13 45.659 0.000 . 1 . . . . . 128 G CA . 26969 1 607 . 1 1 128 128 GLY N N 15 109.184 0.019 . 1 . . . . . 128 G N . 26969 1 608 . 1 1 129 129 PRO C C 13 176.775 0.004 . 1 . . . . . 129 P C . 26969 1 609 . 1 1 129 129 PRO CA C 13 65.391 0.021 . 1 . . . . . 129 P CA . 26969 1 610 . 1 1 129 129 PRO CB C 13 32.041 0.063 . 1 . . . . . 129 P CB . 26969 1 611 . 1 1 130 130 ASP H H 1 8.566 0.002 . 1 . . . . . 130 D H . 26969 1 612 . 1 1 130 130 ASP C C 13 175.779 0.004 . 1 . . . . . 130 D C . 26969 1 613 . 1 1 130 130 ASP CA C 13 55.040 0.069 . 1 . . . . . 130 D CA . 26969 1 614 . 1 1 130 130 ASP CB C 13 40.731 0.046 . 1 . . . . . 130 D CB . 26969 1 615 . 1 1 130 130 ASP N N 15 115.937 0.016 . 1 . . . . . 130 D N . 26969 1 616 . 1 1 131 131 ARG H H 1 7.775 0.004 . 1 . . . . . 131 R H . 26969 1 617 . 1 1 131 131 ARG C C 13 175.315 0.002 . 1 . . . . . 131 R C . 26969 1 618 . 1 1 131 131 ARG CA C 13 57.420 0.018 . 1 . . . . . 131 R CA . 26969 1 619 . 1 1 131 131 ARG CB C 13 33.211 0.062 . 1 . . . . . 131 R CB . 26969 1 620 . 1 1 131 131 ARG N N 15 118.732 0.040 . 1 . . . . . 131 R N . 26969 1 621 . 1 1 132 132 ASN H H 1 8.729 0.001 . 1 . . . . . 132 N H . 26969 1 622 . 1 1 132 132 ASN C C 13 172.224 0.006 . 1 . . . . . 132 N C . 26969 1 623 . 1 1 132 132 ASN CA C 13 54.659 0.048 . 1 . . . . . 132 N CA . 26969 1 624 . 1 1 132 132 ASN CB C 13 37.355 0.053 . 1 . . . . . 132 N CB . 26969 1 625 . 1 1 132 132 ASN N N 15 114.000 0.018 . 1 . . . . . 132 N N . 26969 1 626 . 1 1 133 133 MET H H 1 8.226 0.001 . 1 . . . . . 133 M H . 26969 1 627 . 1 1 133 133 MET C C 13 171.847 0.000 . 1 . . . . . 133 M C . 26969 1 628 . 1 1 133 133 MET CA C 13 53.538 0.000 . 1 . . . . . 133 M CA . 26969 1 629 . 1 1 133 133 MET CB C 13 34.819 0.000 . 1 . . . . . 133 M CB . 26969 1 630 . 1 1 133 133 MET N N 15 113.925 0.025 . 1 . . . . . 133 M N . 26969 1 631 . 1 1 134 134 PRO C C 13 176.753 0.006 . 1 . . . . . 134 P C . 26969 1 632 . 1 1 134 134 PRO CA C 13 63.011 0.050 . 1 . . . . . 134 P CA . 26969 1 633 . 1 1 134 134 PRO CB C 13 32.995 0.072 . 1 . . . . . 134 P CB . 26969 1 634 . 1 1 135 135 ALA H H 1 8.686 0.002 . 1 . . . . . 135 A H . 26969 1 635 . 1 1 135 135 ALA C C 13 178.987 0.007 . 1 . . . . . 135 A C . 26969 1 636 . 1 1 135 135 ALA CA C 13 52.459 0.029 . 1 . . . . . 135 A CA . 26969 1 637 . 1 1 135 135 ALA CB C 13 20.017 0.064 . 1 . . . . . 135 A CB . 26969 1 638 . 1 1 135 135 ALA N N 15 125.958 0.010 . 1 . . . . . 135 A N . 26969 1 639 . 1 1 136 136 LEU H H 1 8.550 0.004 . 1 . . . . . 136 L H . 26969 1 640 . 1 1 136 136 LEU C C 13 177.843 0.010 . 1 . . . . . 136 L C . 26969 1 641 . 1 1 136 136 LEU CA C 13 56.352 0.049 . 1 . . . . . 136 L CA . 26969 1 642 . 1 1 136 136 LEU CB C 13 40.801 0.058 . 1 . . . . . 136 L CB . 26969 1 643 . 1 1 136 136 LEU N N 15 119.929 0.028 . 1 . . . . . 136 L N . 26969 1 644 . 1 1 137 137 THR H H 1 7.392 0.001 . 1 . . . . . 137 T H . 26969 1 645 . 1 1 137 137 THR C C 13 171.339 0.010 . 1 . . . . . 137 T C . 26969 1 646 . 1 1 137 137 THR CA C 13 61.070 0.051 . 1 . . . . . 137 T CA . 26969 1 647 . 1 1 137 137 THR CB C 13 71.092 0.043 . 1 . . . . . 137 T CB . 26969 1 648 . 1 1 137 137 THR N N 15 115.787 0.011 . 1 . . . . . 137 T N . 26969 1 649 . 1 1 138 138 ALA H H 1 7.886 0.004 . 1 . . . . . 138 A H . 26969 1 650 . 1 1 138 138 ALA C C 13 179.746 0.005 . 1 . . . . . 138 A C . 26969 1 651 . 1 1 138 138 ALA CA C 13 52.717 0.029 . 1 . . . . . 138 A CA . 26969 1 652 . 1 1 138 138 ALA CB C 13 19.636 0.059 . 1 . . . . . 138 A CB . 26969 1 653 . 1 1 138 138 ALA N N 15 123.008 0.036 . 1 . . . . . 138 A N . 26969 1 654 . 1 1 139 139 GLY H H 1 6.748 0.002 . 1 . . . . . 139 G H . 26969 1 655 . 1 1 139 139 GLY C C 13 172.996 0.006 . 1 . . . . . 139 G C . 26969 1 656 . 1 1 139 139 GLY CA C 13 44.329 0.054 . 1 . . . . . 139 G CA . 26969 1 657 . 1 1 139 139 GLY N N 15 107.220 0.015 . 1 . . . . . 139 G N . 26969 1 658 . 1 1 140 140 THR H H 1 7.986 0.005 . 1 . . . . . 140 T H . 26969 1 659 . 1 1 140 140 THR C C 13 175.359 0.001 . 1 . . . . . 140 T C . 26969 1 660 . 1 1 140 140 THR CA C 13 61.438 0.085 . 1 . . . . . 140 T CA . 26969 1 661 . 1 1 140 140 THR CB C 13 71.513 0.062 . 1 . . . . . 140 T CB . 26969 1 662 . 1 1 140 140 THR N N 15 105.452 0.014 . 1 . . . . . 140 T N . 26969 1 663 . 1 1 141 141 LEU H H 1 8.966 0.007 . 1 . . . . . 141 L H . 26969 1 664 . 1 1 141 141 LEU C C 13 174.475 0.000 . 1 . . . . . 141 L C . 26969 1 665 . 1 1 141 141 LEU CA C 13 54.185 0.000 . 1 . . . . . 141 L CA . 26969 1 666 . 1 1 141 141 LEU CB C 13 43.604 0.000 . 1 . . . . . 141 L CB . 26969 1 667 . 1 1 141 141 LEU N N 15 126.324 0.052 . 1 . . . . . 141 L N . 26969 1 668 . 1 1 142 142 PRO C C 13 177.108 0.000 . 1 . . . . . 142 P C . 26969 1 669 . 1 1 142 142 PRO CA C 13 64.110 0.013 . 1 . . . . . 142 P CA . 26969 1 670 . 1 1 142 142 PRO CB C 13 32.324 0.071 . 1 . . . . . 142 P CB . 26969 1 671 . 1 1 143 143 ALA H H 1 9.154 0.005 . 1 . . . . . 143 A H . 26969 1 672 . 1 1 143 143 ALA C C 13 179.863 0.007 . 1 . . . . . 143 A C . 26969 1 673 . 1 1 143 143 ALA CA C 13 55.826 0.071 . 1 . . . . . 143 A CA . 26969 1 674 . 1 1 143 143 ALA CB C 13 19.159 0.062 . 1 . . . . . 143 A CB . 26969 1 675 . 1 1 143 143 ALA N N 15 128.371 0.023 . 1 . . . . . 143 A N . 26969 1 676 . 1 1 144 144 ARG H H 1 8.083 0.003 . 1 . . . . . 144 R H . 26969 1 677 . 1 1 144 144 ARG C C 13 176.370 0.007 . 1 . . . . . 144 R C . 26969 1 678 . 1 1 144 144 ARG CA C 13 57.536 0.066 . 1 . . . . . 144 R CA . 26969 1 679 . 1 1 144 144 ARG CB C 13 28.943 0.066 . 1 . . . . . 144 R CB . 26969 1 680 . 1 1 144 144 ARG N N 15 111.584 0.042 . 1 . . . . . 144 R N . 26969 1 681 . 1 1 145 145 PHE H H 1 7.516 0.001 . 1 . . . . . 145 F H . 26969 1 682 . 1 1 145 145 PHE C C 13 173.354 0.009 . 1 . . . . . 145 F C . 26969 1 683 . 1 1 145 145 PHE CA C 13 55.560 0.047 . 1 . . . . . 145 F CA . 26969 1 684 . 1 1 145 145 PHE CB C 13 40.231 0.049 . 1 . . . . . 145 F CB . 26969 1 685 . 1 1 145 145 PHE N N 15 117.567 0.039 . 1 . . . . . 145 F N . 26969 1 686 . 1 1 146 146 ALA H H 1 7.689 0.006 . 1 . . . . . 146 A H . 26969 1 687 . 1 1 146 146 ALA C C 13 174.408 0.000 . 1 . . . . . 146 A C . 26969 1 688 . 1 1 146 146 ALA CA C 13 49.939 0.000 . 1 . . . . . 146 A CA . 26969 1 689 . 1 1 146 146 ALA CB C 13 19.998 0.000 . 1 . . . . . 146 A CB . 26969 1 690 . 1 1 146 146 ALA N N 15 122.595 0.029 . 1 . . . . . 146 A N . 26969 1 691 . 1 1 147 147 PRO C C 13 177.294 0.003 . 1 . . . . . 147 P C . 26969 1 692 . 1 1 147 147 PRO CA C 13 63.131 0.023 . 1 . . . . . 147 P CA . 26969 1 693 . 1 1 147 147 PRO CB C 13 33.258 0.071 . 1 . . . . . 147 P CB . 26969 1 694 . 1 1 148 148 SER H H 1 8.722 0.005 . 1 . . . . . 148 S H . 26969 1 695 . 1 1 148 148 SER C C 13 175.974 0.000 . 1 . . . . . 148 S C . 26969 1 696 . 1 1 148 148 SER CA C 13 63.344 0.126 . 1 . . . . . 148 S CA . 26969 1 697 . 1 1 148 148 SER N N 15 118.941 0.015 . 1 . . . . . 148 S N . 26969 1 698 . 1 1 149 149 GLU H H 1 9.723 0.001 . 1 . . . . . 149 E H . 26969 1 699 . 1 1 149 149 GLU C C 13 175.108 0.005 . 1 . . . . . 149 E C . 26969 1 700 . 1 1 149 149 GLU CA C 13 58.474 0.060 . 1 . . . . . 149 E CA . 26969 1 701 . 1 1 149 149 GLU CB C 13 28.281 0.082 . 1 . . . . . 149 E CB . 26969 1 702 . 1 1 149 149 GLU N N 15 119.388 0.022 . 1 . . . . . 149 E N . 26969 1 703 . 1 1 150 150 CYS H H 1 8.071 0.002 . 1 . . . . . 150 C H . 26969 1 704 . 1 1 150 150 CYS C C 13 172.485 0.000 . 1 . . . . . 150 C C . 26969 1 705 . 1 1 150 150 CYS CA C 13 54.609 0.031 . 1 . . . . . 150 C CA . 26969 1 706 . 1 1 150 150 CYS CB C 13 48.227 0.062 . 1 . . . . . 150 C CB . 26969 1 707 . 1 1 150 150 CYS N N 15 116.832 0.016 . 1 . . . . . 150 C N . 26969 1 708 . 1 1 151 151 ARG H H 1 6.850 0.001 . 1 . . . . . 151 R H . 26969 1 709 . 1 1 151 151 ARG C C 13 180.219 0.000 . 1 . . . . . 151 R C . 26969 1 710 . 1 1 151 151 ARG CA C 13 57.527 0.000 . 1 . . . . . 151 R CA . 26969 1 711 . 1 1 151 151 ARG CB C 13 31.385 0.000 . 1 . . . . . 151 R CB . 26969 1 712 . 1 1 151 151 ARG N N 15 123.295 0.028 . 1 . . . . . 151 R N . 26969 1 stop_ save_