data_25334 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25334 _Entry.Title ; Hybrid structure of the Type 1 Pilus of Uropathogenic E.coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-13 _Entry.Accession_date 2014-11-13 _Entry.Last_release_date 2015-08-13 _Entry.Original_release_date 2015-08-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.99 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLID-STATE _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 Birgit Habenstein . . . . 25334 2 Antoine Loquet . . . . 25334 3 Karin Giller . . . . 25334 4 'Suresh Kumar' Vasa . . . . 25334 5 Stefan Becker . . . . 25334 6 Michael Habeck . . . . 25334 7 Adam Lange . . . . 25334 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25334 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 639 25334 '15N chemical shifts' 161 25334 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-03-10 2014-11-13 update BMRB 'update entry citation' 25334 1 . . 2015-08-13 2014-11-13 original author 'original release' 25334 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25334 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26267365 _Citation.Full_citation . _Citation.Title ; Hybrid Structure of the Type 1 Pilus of Uropathogenic Escherichia coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _Citation.Journal_name_full . _Citation.Journal_volume 54 _Citation.Journal_issue 40 _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 11691 _Citation.Page_last 11695 _Citation.Year 2015 _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 Birgit Habenstein . . . . 25334 1 2 Antoine Loquet . . . . 25334 1 3 'Suresh Kumar' Vasa . . . . 25334 1 4 Karin Giller . . . . 25334 1 5 Stefan Becker . . . . 25334 1 6 Michael Habeck . . . . 25334 1 7 Adam Lange . . . . 25334 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25334 _Assembly.ID 1 _Assembly.Name 'Type 1 Pilus' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 FimA 1 $FimA A . yes native no no . . . 25334 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_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_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 22 22 SG . 1 . 1 CYS 62 62 SG . . . . . . . . . . 25334 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Bacterial protein secretion' 25334 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FimA _Entity.Sf_category entity _Entity.Sf_framecode FimA _Entity.Entry_ID 25334 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FimA _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 ; MAATTVNGGTVHFKGEVVNA ACAVDAGSVDQTVQLGQVRT ASLAQEGATSSAVGFNIQLN DCDTNVASKAAVAFLGTAID AGHTNVLALQSSAAGSATNV GVQILDRTGAALTLDGATFS SETTLNNGTNTIPFQARYFA TGAATPGAANADATFKVQYQ ; _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 160 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 0 MET . 25334 1 2 1 ALA . 25334 1 3 2 ALA . 25334 1 4 3 THR . 25334 1 5 4 THR . 25334 1 6 5 VAL . 25334 1 7 6 ASN . 25334 1 8 7 GLY . 25334 1 9 8 GLY . 25334 1 10 9 THR . 25334 1 11 10 VAL . 25334 1 12 11 HIS . 25334 1 13 12 PHE . 25334 1 14 13 LYS . 25334 1 15 14 GLY . 25334 1 16 15 GLU . 25334 1 17 16 VAL . 25334 1 18 17 VAL . 25334 1 19 18 ASN . 25334 1 20 19 ALA . 25334 1 21 20 ALA . 25334 1 22 21 CYS . 25334 1 23 22 ALA . 25334 1 24 23 VAL . 25334 1 25 24 ASP . 25334 1 26 25 ALA . 25334 1 27 26 GLY . 25334 1 28 27 SER . 25334 1 29 28 VAL . 25334 1 30 29 ASP . 25334 1 31 30 GLN . 25334 1 32 31 THR . 25334 1 33 32 VAL . 25334 1 34 33 GLN . 25334 1 35 34 LEU . 25334 1 36 35 GLY . 25334 1 37 36 GLN . 25334 1 38 37 VAL . 25334 1 39 38 ARG . 25334 1 40 39 THR . 25334 1 41 40 ALA . 25334 1 42 41 SER . 25334 1 43 42 LEU . 25334 1 44 43 ALA . 25334 1 45 44 GLN . 25334 1 46 45 GLU . 25334 1 47 46 GLY . 25334 1 48 47 ALA . 25334 1 49 48 THR . 25334 1 50 49 SER . 25334 1 51 50 SER . 25334 1 52 51 ALA . 25334 1 53 52 VAL . 25334 1 54 53 GLY . 25334 1 55 54 PHE . 25334 1 56 55 ASN . 25334 1 57 56 ILE . 25334 1 58 57 GLN . 25334 1 59 58 LEU . 25334 1 60 59 ASN . 25334 1 61 60 ASP . 25334 1 62 61 CYS . 25334 1 63 62 ASP . 25334 1 64 63 THR . 25334 1 65 64 ASN . 25334 1 66 65 VAL . 25334 1 67 66 ALA . 25334 1 68 67 SER . 25334 1 69 68 LYS . 25334 1 70 69 ALA . 25334 1 71 70 ALA . 25334 1 72 71 VAL . 25334 1 73 72 ALA . 25334 1 74 73 PHE . 25334 1 75 74 LEU . 25334 1 76 75 GLY . 25334 1 77 76 THR . 25334 1 78 77 ALA . 25334 1 79 78 ILE . 25334 1 80 79 ASP . 25334 1 81 80 ALA . 25334 1 82 81 GLY . 25334 1 83 82 HIS . 25334 1 84 83 THR . 25334 1 85 84 ASN . 25334 1 86 85 VAL . 25334 1 87 86 LEU . 25334 1 88 87 ALA . 25334 1 89 88 LEU . 25334 1 90 89 GLN . 25334 1 91 90 SER . 25334 1 92 91 SER . 25334 1 93 92 ALA . 25334 1 94 93 ALA . 25334 1 95 94 GLY . 25334 1 96 95 SER . 25334 1 97 96 ALA . 25334 1 98 97 THR . 25334 1 99 98 ASN . 25334 1 100 99 VAL . 25334 1 101 100 GLY . 25334 1 102 101 VAL . 25334 1 103 102 GLN . 25334 1 104 103 ILE . 25334 1 105 104 LEU . 25334 1 106 105 ASP . 25334 1 107 106 ARG . 25334 1 108 107 THR . 25334 1 109 108 GLY . 25334 1 110 109 ALA . 25334 1 111 110 ALA . 25334 1 112 111 LEU . 25334 1 113 112 THR . 25334 1 114 113 LEU . 25334 1 115 114 ASP . 25334 1 116 115 GLY . 25334 1 117 116 ALA . 25334 1 118 117 THR . 25334 1 119 118 PHE . 25334 1 120 119 SER . 25334 1 121 120 SER . 25334 1 122 121 GLU . 25334 1 123 122 THR . 25334 1 124 123 THR . 25334 1 125 124 LEU . 25334 1 126 125 ASN . 25334 1 127 126 ASN . 25334 1 128 127 GLY . 25334 1 129 128 THR . 25334 1 130 129 ASN . 25334 1 131 130 THR . 25334 1 132 131 ILE . 25334 1 133 132 PRO . 25334 1 134 133 PHE . 25334 1 135 134 GLN . 25334 1 136 135 ALA . 25334 1 137 136 ARG . 25334 1 138 137 TYR . 25334 1 139 138 PHE . 25334 1 140 139 ALA . 25334 1 141 140 THR . 25334 1 142 141 GLY . 25334 1 143 142 ALA . 25334 1 144 143 ALA . 25334 1 145 144 THR . 25334 1 146 145 PRO . 25334 1 147 146 GLY . 25334 1 148 147 ALA . 25334 1 149 148 ALA . 25334 1 150 149 ASN . 25334 1 151 150 ALA . 25334 1 152 151 ASP . 25334 1 153 152 ALA . 25334 1 154 153 THR . 25334 1 155 154 PHE . 25334 1 156 155 LYS . 25334 1 157 156 VAL . 25334 1 158 157 GLN . 25334 1 159 158 TYR . 25334 1 160 159 GLN . 25334 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 25334 1 . ALA 2 2 25334 1 . ALA 3 3 25334 1 . THR 4 4 25334 1 . THR 5 5 25334 1 . VAL 6 6 25334 1 . ASN 7 7 25334 1 . GLY 8 8 25334 1 . GLY 9 9 25334 1 . THR 10 10 25334 1 . VAL 11 11 25334 1 . HIS 12 12 25334 1 . PHE 13 13 25334 1 . LYS 14 14 25334 1 . GLY 15 15 25334 1 . GLU 16 16 25334 1 . VAL 17 17 25334 1 . VAL 18 18 25334 1 . ASN 19 19 25334 1 . ALA 20 20 25334 1 . ALA 21 21 25334 1 . CYS 22 22 25334 1 . ALA 23 23 25334 1 . VAL 24 24 25334 1 . ASP 25 25 25334 1 . ALA 26 26 25334 1 . GLY 27 27 25334 1 . SER 28 28 25334 1 . VAL 29 29 25334 1 . ASP 30 30 25334 1 . GLN 31 31 25334 1 . THR 32 32 25334 1 . VAL 33 33 25334 1 . GLN 34 34 25334 1 . LEU 35 35 25334 1 . GLY 36 36 25334 1 . GLN 37 37 25334 1 . VAL 38 38 25334 1 . ARG 39 39 25334 1 . THR 40 40 25334 1 . ALA 41 41 25334 1 . SER 42 42 25334 1 . LEU 43 43 25334 1 . ALA 44 44 25334 1 . GLN 45 45 25334 1 . GLU 46 46 25334 1 . GLY 47 47 25334 1 . ALA 48 48 25334 1 . THR 49 49 25334 1 . SER 50 50 25334 1 . SER 51 51 25334 1 . ALA 52 52 25334 1 . VAL 53 53 25334 1 . GLY 54 54 25334 1 . PHE 55 55 25334 1 . ASN 56 56 25334 1 . ILE 57 57 25334 1 . GLN 58 58 25334 1 . LEU 59 59 25334 1 . ASN 60 60 25334 1 . ASP 61 61 25334 1 . CYS 62 62 25334 1 . ASP 63 63 25334 1 . THR 64 64 25334 1 . ASN 65 65 25334 1 . VAL 66 66 25334 1 . ALA 67 67 25334 1 . SER 68 68 25334 1 . LYS 69 69 25334 1 . ALA 70 70 25334 1 . ALA 71 71 25334 1 . VAL 72 72 25334 1 . ALA 73 73 25334 1 . PHE 74 74 25334 1 . LEU 75 75 25334 1 . GLY 76 76 25334 1 . THR 77 77 25334 1 . ALA 78 78 25334 1 . ILE 79 79 25334 1 . ASP 80 80 25334 1 . ALA 81 81 25334 1 . GLY 82 82 25334 1 . HIS 83 83 25334 1 . THR 84 84 25334 1 . ASN 85 85 25334 1 . VAL 86 86 25334 1 . LEU 87 87 25334 1 . ALA 88 88 25334 1 . LEU 89 89 25334 1 . GLN 90 90 25334 1 . SER 91 91 25334 1 . SER 92 92 25334 1 . ALA 93 93 25334 1 . ALA 94 94 25334 1 . GLY 95 95 25334 1 . SER 96 96 25334 1 . ALA 97 97 25334 1 . THR 98 98 25334 1 . ASN 99 99 25334 1 . VAL 100 100 25334 1 . GLY 101 101 25334 1 . VAL 102 102 25334 1 . GLN 103 103 25334 1 . ILE 104 104 25334 1 . LEU 105 105 25334 1 . ASP 106 106 25334 1 . ARG 107 107 25334 1 . THR 108 108 25334 1 . GLY 109 109 25334 1 . ALA 110 110 25334 1 . ALA 111 111 25334 1 . LEU 112 112 25334 1 . THR 113 113 25334 1 . LEU 114 114 25334 1 . ASP 115 115 25334 1 . GLY 116 116 25334 1 . ALA 117 117 25334 1 . THR 118 118 25334 1 . PHE 119 119 25334 1 . SER 120 120 25334 1 . SER 121 121 25334 1 . GLU 122 122 25334 1 . THR 123 123 25334 1 . THR 124 124 25334 1 . LEU 125 125 25334 1 . ASN 126 126 25334 1 . ASN 127 127 25334 1 . GLY 128 128 25334 1 . THR 129 129 25334 1 . ASN 130 130 25334 1 . THR 131 131 25334 1 . ILE 132 132 25334 1 . PRO 133 133 25334 1 . PHE 134 134 25334 1 . GLN 135 135 25334 1 . ALA 136 136 25334 1 . ARG 137 137 25334 1 . TYR 138 138 25334 1 . PHE 139 139 25334 1 . ALA 140 140 25334 1 . THR 141 141 25334 1 . GLY 142 142 25334 1 . ALA 143 143 25334 1 . ALA 144 144 25334 1 . THR 145 145 25334 1 . PRO 146 146 25334 1 . GLY 147 147 25334 1 . ALA 148 148 25334 1 . ALA 149 149 25334 1 . ASN 150 150 25334 1 . ALA 151 151 25334 1 . ASP 152 152 25334 1 . ALA 153 153 25334 1 . THR 154 154 25334 1 . PHE 155 155 25334 1 . LYS 156 156 25334 1 . VAL 157 157 25334 1 . GLN 158 158 25334 1 . TYR 159 159 25334 1 . GLN 160 160 25334 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 25334 _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 $FimA . 562 organism . 'Escherichia coli' 'Escherichia coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 25334 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 25334 _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 $FimA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET32a . . . 25334 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25334 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '10 mM sodium phosphate pH 7.0' _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 FimA '[U-100% 13C; U-100% 15N]' . . 1 $FimA . . . . . mM . . . . 25334 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25334 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25334 _Sample.ID 2 _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '10 mM sodium phosphate pH 7.0' _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 FimA '2-glycerol 13C; U-100% 15N' . . . . . . . . . uM . . . . 25334 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25334 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 25334 _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 25334 1 pressure 1 . atm 25334 1 temperature 280 . K 25334 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNMR_Analysis _Software.Entry_ID 25334 _Software.ID 1 _Software.Name CcpNMR_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25334 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25334 1 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 25334 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25334 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 25334 _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 . 850 . . . 25334 1 2 spectrometer_2 Bruker Avance . 600 . . . 25334 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 25334 _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 'NCACB 2D' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25334 1 2 'N(CO)CACB 3D' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25334 1 3 'NCACB 3D' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25334 1 4 'NCOCA 3D' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25334 1 5 'CANCO 3D' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25334 1 6 'NCACO 3D' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25334 1 7 'NCACO 2D' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25334 1 8 'N(CO)CACB 2D' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25334 1 9 'NCOCA 2D' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25334 1 10 'NCO 2D' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25334 1 11 'NCA 2D' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25334 1 12 'CC PDSD' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25334 1 13 'CC PDSD' no . . . . . . . . . . 2 $sample_2 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25334 1 14 'CC PDSD' no . . . . . . . . . . 2 $sample_2 solid . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25334 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 25334 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.25144953 . . . . . . . . . 25334 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 25334 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 25334 _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 'NCACB 2D' . . . 25334 1 2 'N(CO)CACB 3D' . . . 25334 1 3 'NCACB 3D' . . . 25334 1 4 'NCOCA 3D' . . . 25334 1 5 'CANCO 3D' . . . 25334 1 6 'NCACO 3D' . . . 25334 1 7 'NCACO 2D' . . . 25334 1 8 'N(CO)CACB 2D' . . . 25334 1 9 'NCOCA 2D' . . . 25334 1 10 'NCO 2D' . . . 25334 1 11 'NCA 2D' . . . 25334 1 12 'CC PDSD' . . . 25334 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 $CcpNMR_Analysis . . 25334 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA C C 13 173.074 0.014 . 1 . . . . 1 Ala C . 25334 1 2 . 1 1 2 2 ALA CA C 13 51.683 0.034 . 1 . . . . 1 Ala CA . 25334 1 3 . 1 1 2 2 ALA CB C 13 19.508 0.046 . 1 . . . . 1 Ala CB . 25334 1 4 . 1 1 2 2 ALA N N 15 129.530 0.000 . 1 . . . . 1 Ala N . 25334 1 5 . 1 1 3 3 ALA C C 13 177.983 0.046 . 1 . . . . 2 Ala C . 25334 1 6 . 1 1 3 3 ALA CA C 13 51.891 0.045 . 1 . . . . 2 Ala CA . 25334 1 7 . 1 1 3 3 ALA CB C 13 19.504 0.045 . 1 . . . . 2 Ala CB . 25334 1 8 . 1 1 3 3 ALA N N 15 122.935 0.071 . 1 . . . . 2 Ala N . 25334 1 9 . 1 1 4 4 THR C C 13 173.384 0.022 . 1 . . . . 3 Thr C . 25334 1 10 . 1 1 4 4 THR CA C 13 62.172 0.043 . 1 . . . . 3 Thr CA . 25334 1 11 . 1 1 4 4 THR CB C 13 71.569 0.073 . 1 . . . . 3 Thr CB . 25334 1 12 . 1 1 4 4 THR CG2 C 13 21.493 0.041 . 1 . . . . 3 Thr CG2 . 25334 1 13 . 1 1 4 4 THR N N 15 120.026 0.097 . 1 . . . . 3 Thr N . 25334 1 14 . 1 1 5 5 THR C C 13 174.625 0.020 . 1 . . . . 4 Thr C . 25334 1 15 . 1 1 5 5 THR CA C 13 61.362 0.046 . 1 . . . . 4 Thr CA . 25334 1 16 . 1 1 5 5 THR CB C 13 69.625 0.066 . 1 . . . . 4 Thr CB . 25334 1 17 . 1 1 5 5 THR CG2 C 13 22.832 0.053 . 1 . . . . 4 Thr CG2 . 25334 1 18 . 1 1 5 5 THR N N 15 122.935 0.060 . 1 . . . . 4 Thr N . 25334 1 19 . 1 1 6 6 VAL C C 13 174.352 0.021 . 1 . . . . 5 Val C . 25334 1 20 . 1 1 6 6 VAL CA C 13 58.295 0.036 . 1 . . . . 5 Val CA . 25334 1 21 . 1 1 6 6 VAL CB C 13 36.343 0.058 . 1 . . . . 5 Val CB . 25334 1 22 . 1 1 6 6 VAL CG1 C 13 19.062 0.029 . 2 . . . . 5 Val CG1 . 25334 1 23 . 1 1 6 6 VAL CG2 C 13 23.105 0.050 . 2 . . . . 5 Val CG2 . 25334 1 24 . 1 1 6 6 VAL N N 15 120.406 0.131 . 1 . . . . 5 Val N . 25334 1 25 . 1 1 7 7 ASN C C 13 172.243 0.043 . 1 . . . . 6 Asn C . 25334 1 26 . 1 1 7 7 ASN CA C 13 54.987 0.046 . 1 . . . . 6 Asn CA . 25334 1 27 . 1 1 7 7 ASN CB C 13 39.529 0.056 . 1 . . . . 6 Asn CB . 25334 1 28 . 1 1 7 7 ASN CG C 13 176.673 0.036 . 1 . . . . 6 Asn CG . 25334 1 29 . 1 1 7 7 ASN N N 15 119.580 0.043 . 1 . . . . 6 Asn N . 25334 1 30 . 1 1 8 8 GLY C C 13 171.050 0.065 . 1 . . . . 7 Gly C . 25334 1 31 . 1 1 8 8 GLY CA C 13 45.693 0.065 . 1 . . . . 7 Gly CA . 25334 1 32 . 1 1 8 8 GLY N N 15 110.934 0.119 . 1 . . . . 7 Gly N . 25334 1 33 . 1 1 9 9 GLY C C 13 172.499 0.058 . 1 . . . . 8 Gly C . 25334 1 34 . 1 1 9 9 GLY CA C 13 46.699 0.044 . 1 . . . . 8 Gly CA . 25334 1 35 . 1 1 9 9 GLY N N 15 106.875 0.057 . 1 . . . . 8 Gly N . 25334 1 36 . 1 1 10 10 THR C C 13 172.332 0.024 . 1 . . . . 9 Thr C . 25334 1 37 . 1 1 10 10 THR CA C 13 62.087 0.061 . 1 . . . . 9 Thr CA . 25334 1 38 . 1 1 10 10 THR CB C 13 71.250 0.065 . 1 . . . . 9 Thr CB . 25334 1 39 . 1 1 10 10 THR CG2 C 13 21.652 0.044 . 1 . . . . 9 Thr CG2 . 25334 1 40 . 1 1 10 10 THR N N 15 119.758 0.046 . 1 . . . . 9 Thr N . 25334 1 41 . 1 1 11 11 VAL C C 13 172.016 0.039 . 1 . . . . 10 Val C . 25334 1 42 . 1 1 11 11 VAL CA C 13 60.171 0.035 . 1 . . . . 10 Val CA . 25334 1 43 . 1 1 11 11 VAL CB C 13 34.447 0.032 . 1 . . . . 10 Val CB . 25334 1 44 . 1 1 11 11 VAL CG1 C 13 21.076 0.017 . 2 . . . . 10 Val CG1 . 25334 1 45 . 1 1 11 11 VAL CG2 C 13 21.547 0.054 . 2 . . . . 10 Val CG2 . 25334 1 46 . 1 1 11 11 VAL N N 15 124.429 0.120 . 1 . . . . 10 Val N . 25334 1 47 . 1 1 12 12 HIS C C 13 173.086 0.027 . 1 . . . . 11 His C . 25334 1 48 . 1 1 12 12 HIS CA C 13 53.035 0.048 . 1 . . . . 11 His CA . 25334 1 49 . 1 1 12 12 HIS CB C 13 35.674 0.055 . 1 . . . . 11 His CB . 25334 1 50 . 1 1 12 12 HIS CG C 13 130.702 0.024 . 1 . . . . 11 His CG . 25334 1 51 . 1 1 12 12 HIS CD2 C 13 122.118 0.044 . 1 . . . . 11 His CD2 . 25334 1 52 . 1 1 12 12 HIS N N 15 123.148 0.043 . 1 . . . . 11 His N . 25334 1 53 . 1 1 13 13 PHE C C 13 176.228 0.042 . 1 . . . . 12 Phe C . 25334 1 54 . 1 1 13 13 PHE CA C 13 57.200 0.050 . 1 . . . . 12 Phe CA . 25334 1 55 . 1 1 13 13 PHE CB C 13 40.362 0.043 . 1 . . . . 12 Phe CB . 25334 1 56 . 1 1 13 13 PHE CG C 13 138.495 0.066 . 1 . . . . 12 Phe CG . 25334 1 57 . 1 1 13 13 PHE N N 15 122.864 0.085 . 1 . . . . 12 Phe N . 25334 1 58 . 1 1 14 14 LYS C C 13 174.252 0.029 . 1 . . . . 13 Lys C . 25334 1 59 . 1 1 14 14 LYS CA C 13 53.197 0.046 . 1 . . . . 13 Lys CA . 25334 1 60 . 1 1 14 14 LYS CB C 13 36.520 0.051 . 1 . . . . 13 Lys CB . 25334 1 61 . 1 1 14 14 LYS CG C 13 25.009 0.072 . 1 . . . . 13 Lys CG . 25334 1 62 . 1 1 14 14 LYS CD C 13 29.164 0.039 . 1 . . . . 13 Lys CD . 25334 1 63 . 1 1 14 14 LYS CE C 13 42.624 0.040 . 1 . . . . 13 Lys CE . 25334 1 64 . 1 1 14 14 LYS N N 15 122.834 0.076 . 1 . . . . 13 Lys N . 25334 1 65 . 1 1 15 15 GLY C C 13 173.272 0.039 . 1 . . . . 14 Gly C . 25334 1 66 . 1 1 15 15 GLY CA C 13 46.567 0.048 . 1 . . . . 14 Gly CA . 25334 1 67 . 1 1 15 15 GLY N N 15 108.917 0.101 . 1 . . . . 14 Gly N . 25334 1 68 . 1 1 16 16 GLU C C 13 173.180 0.040 . 1 . . . . 15 Glu C . 25334 1 69 . 1 1 16 16 GLU CA C 13 56.509 0.045 . 1 . . . . 15 Glu CA . 25334 1 70 . 1 1 16 16 GLU CB C 13 34.805 0.048 . 1 . . . . 15 Glu CB . 25334 1 71 . 1 1 16 16 GLU CG C 13 36.708 0.027 . 1 . . . . 15 Glu CG . 25334 1 72 . 1 1 16 16 GLU CD C 13 182.564 0.063 . 1 . . . . 15 Glu CD . 25334 1 73 . 1 1 16 16 GLU N N 15 117.525 0.081 . 1 . . . . 15 Glu N . 25334 1 74 . 1 1 17 17 VAL C C 13 176.959 0.035 . 1 . . . . 16 Val C . 25334 1 75 . 1 1 17 17 VAL CA C 13 59.992 0.052 . 1 . . . . 16 Val CA . 25334 1 76 . 1 1 17 17 VAL CB C 13 32.128 0.046 . 1 . . . . 16 Val CB . 25334 1 77 . 1 1 17 17 VAL CG1 C 13 19.946 0.037 . 2 . . . . 16 Val CG1 . 25334 1 78 . 1 1 17 17 VAL CG2 C 13 22.828 0.048 . 2 . . . . 16 Val CG2 . 25334 1 79 . 1 1 17 17 VAL N N 15 125.655 0.108 . 1 . . . . 16 Val N . 25334 1 80 . 1 1 18 18 VAL C C 13 174.051 0.036 . 1 . . . . 17 Val C . 25334 1 81 . 1 1 18 18 VAL CA C 13 58.657 0.043 . 1 . . . . 17 Val CA . 25334 1 82 . 1 1 18 18 VAL CB C 13 35.660 0.037 . 1 . . . . 17 Val CB . 25334 1 83 . 1 1 18 18 VAL CG1 C 13 18.580 0.032 . 2 . . . . 17 Val CG1 . 25334 1 84 . 1 1 18 18 VAL CG2 C 13 22.357 0.035 . 2 . . . . 17 Val CG2 . 25334 1 85 . 1 1 18 18 VAL N N 15 120.326 0.074 . 1 . . . . 17 Val N . 25334 1 86 . 1 1 19 19 ASN C C 13 173.602 0.014 . 1 . . . . 18 Asn C . 25334 1 87 . 1 1 19 19 ASN CA C 13 51.065 0.031 . 1 . . . . 18 Asn CA . 25334 1 88 . 1 1 19 19 ASN CB C 13 36.958 0.038 . 1 . . . . 18 Asn CB . 25334 1 89 . 1 1 19 19 ASN CG C 13 177.146 0.024 . 1 . . . . 18 Asn CG . 25334 1 90 . 1 1 19 19 ASN N N 15 122.167 0.094 . 1 . . . . 18 Asn N . 25334 1 91 . 1 1 20 20 ALA C C 13 176.801 0.020 . 1 . . . . 19 Ala C . 25334 1 92 . 1 1 20 20 ALA CA C 13 50.833 0.036 . 1 . . . . 19 Ala CA . 25334 1 93 . 1 1 20 20 ALA CB C 13 23.249 0.029 . 1 . . . . 19 Ala CB . 25334 1 94 . 1 1 20 20 ALA N N 15 121.007 0.066 . 1 . . . . 19 Ala N . 25334 1 95 . 1 1 21 21 ALA C C 13 174.516 0.023 . 1 . . . . 20 Ala C . 25334 1 96 . 1 1 21 21 ALA CA C 13 54.406 0.026 . 1 . . . . 20 Ala CA . 25334 1 97 . 1 1 21 21 ALA CB C 13 21.485 0.025 . 1 . . . . 20 Ala CB . 25334 1 98 . 1 1 21 21 ALA N N 15 118.127 0.101 . 1 . . . . 20 Ala N . 25334 1 99 . 1 1 22 22 CYS C C 13 171.342 0.035 . 1 . . . . 21 Cys C . 25334 1 100 . 1 1 22 22 CYS CA C 13 53.090 0.039 . 1 . . . . 21 Cys CA . 25334 1 101 . 1 1 22 22 CYS CB C 13 50.587 0.038 . 1 . . . . 21 Cys CB . 25334 1 102 . 1 1 22 22 CYS N N 15 103.645 0.084 . 1 . . . . 21 Cys N . 25334 1 103 . 1 1 23 23 ALA C C 13 175.605 0.044 . 1 . . . . 22 Ala C . 25334 1 104 . 1 1 23 23 ALA CA C 13 49.765 0.038 . 1 . . . . 22 Ala CA . 25334 1 105 . 1 1 23 23 ALA CB C 13 22.639 0.050 . 1 . . . . 22 Ala CB . 25334 1 106 . 1 1 23 23 ALA N N 15 123.107 0.076 . 1 . . . . 22 Ala N . 25334 1 107 . 1 1 24 24 VAL C C 13 177.060 0.026 . 1 . . . . 23 Val C . 25334 1 108 . 1 1 24 24 VAL CA C 13 64.868 0.052 . 1 . . . . 23 Val CA . 25334 1 109 . 1 1 24 24 VAL CB C 13 31.736 0.049 . 1 . . . . 23 Val CB . 25334 1 110 . 1 1 24 24 VAL CG1 C 13 23.406 0.050 . 2 . . . . 23 Val CG1 . 25334 1 111 . 1 1 24 24 VAL CG2 C 13 22.469 0.031 . 2 . . . . 23 Val CG2 . 25334 1 112 . 1 1 24 24 VAL N N 15 126.584 0.066 . 1 . . . . 23 Val N . 25334 1 113 . 1 1 25 25 ASP C C 13 177.246 0.041 . 1 . . . . 24 Asp C . 25334 1 114 . 1 1 25 25 ASP CA C 13 56.141 0.038 . 1 . . . . 24 Asp CA . 25334 1 115 . 1 1 25 25 ASP CB C 13 45.207 0.052 . 1 . . . . 24 Asp CB . 25334 1 116 . 1 1 25 25 ASP CG C 13 179.633 0.027 . 1 . . . . 24 Asp CG . 25334 1 117 . 1 1 25 25 ASP N N 15 127.768 0.051 . 1 . . . . 24 Asp N . 25334 1 118 . 1 1 26 26 ALA C C 13 178.846 0.049 . 1 . . . . 25 Ala C . 25334 1 119 . 1 1 26 26 ALA CA C 13 56.383 0.036 . 1 . . . . 25 Ala CA . 25334 1 120 . 1 1 26 26 ALA CB C 13 18.265 0.045 . 1 . . . . 25 Ala CB . 25334 1 121 . 1 1 26 26 ALA N N 15 127.541 0.038 . 1 . . . . 25 Ala N . 25334 1 122 . 1 1 27 27 GLY C C 13 175.159 0.045 . 1 . . . . 26 Gly C . 25334 1 123 . 1 1 27 27 GLY CA C 13 46.248 0.048 . 1 . . . . 26 Gly CA . 25334 1 124 . 1 1 27 27 GLY N N 15 104.236 0.017 . 1 . . . . 26 Gly N . 25334 1 125 . 1 1 28 28 SER C C 13 174.531 0.024 . 1 . . . . 27 Ser C . 25334 1 126 . 1 1 28 28 SER CA C 13 58.985 0.052 . 1 . . . . 27 Ser CA . 25334 1 127 . 1 1 28 28 SER CB C 13 66.341 0.058 . 1 . . . . 27 Ser CB . 25334 1 128 . 1 1 28 28 SER N N 15 112.953 0.074 . 1 . . . . 27 Ser N . 25334 1 129 . 1 1 29 29 VAL C C 13 176.522 0.025 . 1 . . . . 28 Val C . 25334 1 130 . 1 1 29 29 VAL CA C 13 64.562 0.021 . 1 . . . . 28 Val CA . 25334 1 131 . 1 1 29 29 VAL CB C 13 32.600 0.034 . 1 . . . . 28 Val CB . 25334 1 132 . 1 1 29 29 VAL CG1 C 13 20.118 0.048 . 2 . . . . 28 Val CG1 . 25334 1 133 . 1 1 29 29 VAL CG2 C 13 21.925 0.023 . 2 . . . . 28 Val CG2 . 25334 1 134 . 1 1 29 29 VAL N N 15 116.446 0.098 . 1 . . . . 28 Val N . 25334 1 135 . 1 1 30 30 ASP C C 13 174.925 0.019 . 1 . . . . 29 Asp C . 25334 1 136 . 1 1 30 30 ASP CA C 13 54.410 0.030 . 1 . . . . 29 Asp CA . 25334 1 137 . 1 1 30 30 ASP CB C 13 41.855 0.047 . 1 . . . . 29 Asp CB . 25334 1 138 . 1 1 30 30 ASP CG C 13 180.823 0.046 . 1 . . . . 29 Asp CG . 25334 1 139 . 1 1 30 30 ASP N N 15 124.164 0.044 . 1 . . . . 29 Asp N . 25334 1 140 . 1 1 31 31 GLN C C 13 173.776 0.043 . 1 . . . . 30 Gln C . 25334 1 141 . 1 1 31 31 GLN CA C 13 54.741 0.048 . 1 . . . . 30 Gln CA . 25334 1 142 . 1 1 31 31 GLN CB C 13 32.767 0.045 . 1 . . . . 30 Gln CB . 25334 1 143 . 1 1 31 31 GLN CG C 13 34.099 0.034 . 1 . . . . 30 Gln CG . 25334 1 144 . 1 1 31 31 GLN CD C 13 180.980 0.025 . 1 . . . . 30 Gln CD . 25334 1 145 . 1 1 31 31 GLN N N 15 119.862 0.093 . 1 . . . . 30 Gln N . 25334 1 146 . 1 1 32 32 THR C C 13 173.462 0.037 . 1 . . . . 31 Thr C . 25334 1 147 . 1 1 32 32 THR CA C 13 61.988 0.057 . 1 . . . . 31 Thr CA . 25334 1 148 . 1 1 32 32 THR CB C 13 70.269 0.054 . 1 . . . . 31 Thr CB . 25334 1 149 . 1 1 32 32 THR CG2 C 13 21.363 0.032 . 1 . . . . 31 Thr CG2 . 25334 1 150 . 1 1 32 32 THR N N 15 118.877 0.073 . 1 . . . . 31 Thr N . 25334 1 151 . 1 1 33 33 VAL C C 13 173.806 0.033 . 1 . . . . 32 Val C . 25334 1 152 . 1 1 33 33 VAL CA C 13 61.044 0.041 . 1 . . . . 32 Val CA . 25334 1 153 . 1 1 33 33 VAL CB C 13 33.560 0.050 . 1 . . . . 32 Val CB . 25334 1 154 . 1 1 33 33 VAL CG1 C 13 20.037 0.032 . 2 . . . . 32 Val CG1 . 25334 1 155 . 1 1 33 33 VAL CG2 C 13 20.545 0.029 . 2 . . . . 32 Val CG2 . 25334 1 156 . 1 1 33 33 VAL N N 15 131.489 0.117 . 1 . . . . 32 Val N . 25334 1 157 . 1 1 34 34 GLN C C 13 174.913 0.044 . 1 . . . . 33 Gln C . 25334 1 158 . 1 1 34 34 GLN CA C 13 54.017 0.058 . 1 . . . . 33 Gln CA . 25334 1 159 . 1 1 34 34 GLN CB C 13 29.670 0.060 . 1 . . . . 33 Gln CB . 25334 1 160 . 1 1 34 34 GLN CG C 13 34.234 0.042 . 1 . . . . 33 Gln CG . 25334 1 161 . 1 1 34 34 GLN CD C 13 179.431 0.018 . 1 . . . . 33 Gln CD . 25334 1 162 . 1 1 34 34 GLN N N 15 128.135 0.111 . 1 . . . . 33 Gln N . 25334 1 163 . 1 1 35 35 LEU C C 13 177.060 0.027 . 1 . . . . 34 Leu C . 25334 1 164 . 1 1 35 35 LEU CA C 13 57.378 0.061 . 1 . . . . 34 Leu CA . 25334 1 165 . 1 1 35 35 LEU CB C 13 41.044 0.048 . 1 . . . . 34 Leu CB . 25334 1 166 . 1 1 35 35 LEU CG C 13 29.480 0.058 . 1 . . . . 34 Leu CG . 25334 1 167 . 1 1 35 35 LEU CD1 C 13 24.870 0.073 . 2 . . . . 34 Leu CD1 . 25334 1 168 . 1 1 35 35 LEU CD2 C 13 23.573 0.041 . 2 . . . . 34 Leu CD2 . 25334 1 169 . 1 1 35 35 LEU N N 15 127.107 0.080 . 1 . . . . 34 Leu N . 25334 1 170 . 1 1 36 36 GLY C C 13 172.106 0.039 . 1 . . . . 35 Gly C . 25334 1 171 . 1 1 36 36 GLY CA C 13 43.649 0.046 . 1 . . . . 35 Gly CA . 25334 1 172 . 1 1 36 36 GLY N N 15 104.493 0.024 . 1 . . . . 35 Gly N . 25334 1 173 . 1 1 37 37 GLN C C 13 175.993 0.024 . 1 . . . . 36 Gln C . 25334 1 174 . 1 1 37 37 GLN CA C 13 53.730 0.035 . 1 . . . . 36 Gln CA . 25334 1 175 . 1 1 37 37 GLN CB C 13 31.117 0.048 . 1 . . . . 36 Gln CB . 25334 1 176 . 1 1 37 37 GLN CG C 13 34.252 0.023 . 1 . . . . 36 Gln CG . 25334 1 177 . 1 1 37 37 GLN CD C 13 178.682 0.037 . 1 . . . . 36 Gln CD . 25334 1 178 . 1 1 37 37 GLN N N 15 110.505 0.097 . 1 . . . . 36 Gln N . 25334 1 179 . 1 1 38 38 VAL C C 13 172.350 0.032 . 1 . . . . 37 Val C . 25334 1 180 . 1 1 38 38 VAL CA C 13 59.889 0.062 . 1 . . . . 37 Val CA . 25334 1 181 . 1 1 38 38 VAL CB C 13 35.076 0.049 . 1 . . . . 37 Val CB . 25334 1 182 . 1 1 38 38 VAL CG1 C 13 21.882 0.029 . 2 . . . . 37 Val CG1 . 25334 1 183 . 1 1 38 38 VAL CG2 C 13 22.198 0.031 . 2 . . . . 37 Val CG2 . 25334 1 184 . 1 1 38 38 VAL N N 15 117.336 0.075 . 1 . . . . 37 Val N . 25334 1 185 . 1 1 39 39 ARG C C 13 179.702 0.040 . 1 . . . . 38 Arg C . 25334 1 186 . 1 1 39 39 ARG CA C 13 55.585 0.056 . 1 . . . . 38 Arg CA . 25334 1 187 . 1 1 39 39 ARG CB C 13 30.221 0.080 . 1 . . . . 38 Arg CB . 25334 1 188 . 1 1 39 39 ARG CG C 13 27.496 0.077 . 1 . . . . 38 Arg CG . 25334 1 189 . 1 1 39 39 ARG CD C 13 44.042 0.059 . 1 . . . . 38 Arg CD . 25334 1 190 . 1 1 39 39 ARG CZ C 13 159.702 0.000 . 1 . . . . 38 Arg CZ . 25334 1 191 . 1 1 39 39 ARG N N 15 126.844 0.064 . 1 . . . . 38 Arg N . 25334 1 192 . 1 1 39 39 ARG NE N 15 87.824 0.000 . 1 . . . . 38 Arg NE . 25334 1 193 . 1 1 40 40 THR C C 13 178.631 0.060 . 1 . . . . 39 Thr C . 25334 1 194 . 1 1 40 40 THR CA C 13 65.478 0.060 . 1 . . . . 39 Thr CA . 25334 1 195 . 1 1 40 40 THR CB C 13 66.808 0.052 . 1 . . . . 39 Thr CB . 25334 1 196 . 1 1 40 40 THR CG2 C 13 24.411 0.082 . 1 . . . . 39 Thr CG2 . 25334 1 197 . 1 1 40 40 THR N N 15 115.190 0.065 . 1 . . . . 39 Thr N . 25334 1 198 . 1 1 41 41 ALA C C 13 179.222 0.064 . 1 . . . . 40 Ala C . 25334 1 199 . 1 1 41 41 ALA CA C 13 54.453 0.027 . 1 . . . . 40 Ala CA . 25334 1 200 . 1 1 41 41 ALA CB C 13 18.466 0.049 . 1 . . . . 40 Ala CB . 25334 1 201 . 1 1 41 41 ALA N N 15 123.272 0.075 . 1 . . . . 40 Ala N . 25334 1 202 . 1 1 42 42 SER C C 13 172.784 0.049 . 1 . . . . 41 Ser C . 25334 1 203 . 1 1 42 42 SER CA C 13 59.394 0.050 . 1 . . . . 41 Ser CA . 25334 1 204 . 1 1 42 42 SER CB C 13 63.902 0.058 . 1 . . . . 41 Ser CB . 25334 1 205 . 1 1 42 42 SER N N 15 112.144 0.053 . 1 . . . . 41 Ser N . 25334 1 206 . 1 1 43 43 LEU C C 13 174.584 0.018 . 1 . . . . 42 Leu C . 25334 1 207 . 1 1 43 43 LEU CA C 13 51.657 0.055 . 1 . . . . 42 Leu CA . 25334 1 208 . 1 1 43 43 LEU CB C 13 44.067 0.062 . 1 . . . . 42 Leu CB . 25334 1 209 . 1 1 43 43 LEU CG C 13 25.734 0.044 . 1 . . . . 42 Leu CG . 25334 1 210 . 1 1 43 43 LEU CD1 C 13 22.433 0.024 . 2 . . . . 42 Leu CD1 . 25334 1 211 . 1 1 43 43 LEU CD2 C 13 28.648 0.040 . 2 . . . . 42 Leu CD2 . 25334 1 212 . 1 1 43 43 LEU N N 15 123.079 0.064 . 1 . . . . 42 Leu N . 25334 1 213 . 1 1 44 44 ALA C C 13 176.810 0.076 . 1 . . . . 43 Ala C . 25334 1 214 . 1 1 44 44 ALA CA C 13 53.253 0.046 . 1 . . . . 43 Ala CA . 25334 1 215 . 1 1 44 44 ALA CB C 13 19.911 0.046 . 1 . . . . 43 Ala CB . 25334 1 216 . 1 1 44 44 ALA N N 15 118.539 0.044 . 1 . . . . 43 Ala N . 25334 1 217 . 1 1 45 45 GLN C C 13 172.587 0.031 . 1 . . . . 44 Gln C . 25334 1 218 . 1 1 45 45 GLN CA C 13 53.332 0.038 . 1 . . . . 44 Gln CA . 25334 1 219 . 1 1 45 45 GLN CB C 13 31.432 0.044 . 1 . . . . 44 Gln CB . 25334 1 220 . 1 1 45 45 GLN CG C 13 32.072 0.032 . 1 . . . . 44 Gln CG . 25334 1 221 . 1 1 45 45 GLN CD C 13 180.659 0.027 . 1 . . . . 44 Gln CD . 25334 1 222 . 1 1 45 45 GLN N N 15 111.655 0.047 . 1 . . . . 44 Gln N . 25334 1 223 . 1 1 46 46 GLU C C 13 177.501 0.027 . 1 . . . . 45 Glu C . 25334 1 224 . 1 1 46 46 GLU CA C 13 56.972 0.027 . 1 . . . . 45 Glu CA . 25334 1 225 . 1 1 46 46 GLU CB C 13 28.576 0.052 . 1 . . . . 45 Glu CB . 25334 1 226 . 1 1 46 46 GLU CG C 13 35.534 0.048 . 1 . . . . 45 Glu CG . 25334 1 227 . 1 1 46 46 GLU CD C 13 182.540 0.040 . 1 . . . . 45 Glu CD . 25334 1 228 . 1 1 46 46 GLU N N 15 120.182 0.049 . 1 . . . . 45 Glu N . 25334 1 229 . 1 1 47 47 GLY C C 13 173.680 0.032 . 1 . . . . 46 Gly C . 25334 1 230 . 1 1 47 47 GLY CA C 13 44.327 0.043 . 1 . . . . 46 Gly CA . 25334 1 231 . 1 1 47 47 GLY N N 15 115.274 0.074 . 1 . . . . 46 Gly N . 25334 1 232 . 1 1 48 48 ALA C C 13 175.678 0.031 . 1 . . . . 47 Ala C . 25334 1 233 . 1 1 48 48 ALA CA C 13 52.700 0.027 . 1 . . . . 47 Ala CA . 25334 1 234 . 1 1 48 48 ALA CB C 13 19.786 0.034 . 1 . . . . 47 Ala CB . 25334 1 235 . 1 1 48 48 ALA N N 15 123.833 0.045 . 1 . . . . 47 Ala N . 25334 1 236 . 1 1 49 49 THR C C 13 175.321 0.020 . 1 . . . . 48 Thr C . 25334 1 237 . 1 1 49 49 THR CA C 13 58.192 0.046 . 1 . . . . 48 Thr CA . 25334 1 238 . 1 1 49 49 THR CB C 13 72.949 0.056 . 1 . . . . 48 Thr CB . 25334 1 239 . 1 1 49 49 THR CG2 C 13 22.321 0.053 . 1 . . . . 48 Thr CG2 . 25334 1 240 . 1 1 49 49 THR N N 15 108.182 0.056 . 1 . . . . 48 Thr N . 25334 1 241 . 1 1 50 50 SER C C 13 174.651 0.039 . 1 . . . . 49 Ser C . 25334 1 242 . 1 1 50 50 SER CA C 13 57.512 0.048 . 1 . . . . 49 Ser CA . 25334 1 243 . 1 1 50 50 SER CB C 13 66.072 0.033 . 1 . . . . 49 Ser CB . 25334 1 244 . 1 1 50 50 SER N N 15 117.735 0.087 . 1 . . . . 49 Ser N . 25334 1 245 . 1 1 51 51 SER C C 13 172.597 0.018 . 1 . . . . 50 Ser C . 25334 1 246 . 1 1 51 51 SER CA C 13 59.640 0.039 . 1 . . . . 50 Ser CA . 25334 1 247 . 1 1 51 51 SER CB C 13 63.337 0.033 . 1 . . . . 50 Ser CB . 25334 1 248 . 1 1 51 51 SER N N 15 114.362 0.072 . 1 . . . . 50 Ser N . 25334 1 249 . 1 1 52 52 ALA C C 13 176.784 0.039 . 1 . . . . 51 Ala C . 25334 1 250 . 1 1 52 52 ALA CA C 13 51.118 0.027 . 1 . . . . 51 Ala CA . 25334 1 251 . 1 1 52 52 ALA CB C 13 22.996 0.032 . 1 . . . . 51 Ala CB . 25334 1 252 . 1 1 52 52 ALA N N 15 123.954 0.045 . 1 . . . . 51 Ala N . 25334 1 253 . 1 1 53 53 VAL C C 13 175.256 0.037 . 1 . . . . 52 Val C . 25334 1 254 . 1 1 53 53 VAL CA C 13 61.032 0.028 . 1 . . . . 52 Val CA . 25334 1 255 . 1 1 53 53 VAL CB C 13 35.213 0.043 . 1 . . . . 52 Val CB . 25334 1 256 . 1 1 53 53 VAL CG1 C 13 22.968 0.041 . 2 . . . . 52 Val CG1 . 25334 1 257 . 1 1 53 53 VAL CG2 C 13 21.115 0.023 . 2 . . . . 52 Val CG2 . 25334 1 258 . 1 1 53 53 VAL N N 15 114.900 0.076 . 1 . . . . 52 Val N . 25334 1 259 . 1 1 54 54 GLY C C 13 173.559 0.014 . 1 . . . . 53 Gly C . 25334 1 260 . 1 1 54 54 GLY CA C 13 44.696 0.036 . 1 . . . . 53 Gly CA . 25334 1 261 . 1 1 54 54 GLY N N 15 112.406 0.087 . 1 . . . . 53 Gly N . 25334 1 262 . 1 1 55 55 PHE C C 13 171.037 0.057 . 1 . . . . 54 Phe C . 25334 1 263 . 1 1 55 55 PHE CA C 13 57.172 0.053 . 1 . . . . 54 Phe CA . 25334 1 264 . 1 1 55 55 PHE CB C 13 42.221 0.092 . 1 . . . . 54 Phe CB . 25334 1 265 . 1 1 55 55 PHE CG C 13 139.539 0.107 . 1 . . . . 54 Phe CG . 25334 1 266 . 1 1 55 55 PHE CE1 C 13 130.414 0.000 . 3 . . . . 54 Phe CE1 . 25334 1 267 . 1 1 55 55 PHE CE2 C 13 130.414 0.000 . 3 . . . . 54 Phe CE2 . 25334 1 268 . 1 1 55 55 PHE N N 15 117.064 0.064 . 1 . . . . 54 Phe N . 25334 1 269 . 1 1 56 56 ASN C C 13 175.497 0.012 . 1 . . . . 55 Asn C . 25334 1 270 . 1 1 56 56 ASN CA C 13 51.204 0.031 . 1 . . . . 55 Asn CA . 25334 1 271 . 1 1 56 56 ASN CB C 13 43.270 0.031 . 1 . . . . 55 Asn CB . 25334 1 272 . 1 1 56 56 ASN CG C 13 175.792 0.016 . 1 . . . . 55 Asn CG . 25334 1 273 . 1 1 56 56 ASN N N 15 117.081 0.032 . 1 . . . . 55 Asn N . 25334 1 274 . 1 1 57 57 ILE C C 13 173.651 0.020 . 1 . . . . 56 Ile C . 25334 1 275 . 1 1 57 57 ILE CA C 13 61.022 0.060 . 1 . . . . 56 Ile CA . 25334 1 276 . 1 1 57 57 ILE CB C 13 40.877 0.060 . 1 . . . . 56 Ile CB . 25334 1 277 . 1 1 57 57 ILE CG1 C 13 28.226 0.052 . 1 . . . . 56 Ile CG1 . 25334 1 278 . 1 1 57 57 ILE CG2 C 13 17.204 0.047 . 1 . . . . 56 Ile CG2 . 25334 1 279 . 1 1 57 57 ILE CD1 C 13 12.105 0.048 . 1 . . . . 56 Ile CD1 . 25334 1 280 . 1 1 57 57 ILE N N 15 119.735 0.008 . 1 . . . . 56 Ile N . 25334 1 281 . 1 1 58 58 GLN C C 13 173.537 0.066 . 1 . . . . 57 Gln C . 25334 1 282 . 1 1 58 58 GLN CA C 13 54.989 0.056 . 1 . . . . 57 Gln CA . 25334 1 283 . 1 1 58 58 GLN CB C 13 30.881 0.084 . 1 . . . . 57 Gln CB . 25334 1 284 . 1 1 58 58 GLN CG C 13 34.436 0.053 . 1 . . . . 57 Gln CG . 25334 1 285 . 1 1 58 58 GLN CD C 13 180.288 0.041 . 1 . . . . 57 Gln CD . 25334 1 286 . 1 1 58 58 GLN N N 15 128.583 0.030 . 1 . . . . 57 Gln N . 25334 1 287 . 1 1 59 59 LEU C C 13 173.639 0.021 . 1 . . . . 58 Leu C . 25334 1 288 . 1 1 59 59 LEU CA C 13 52.820 0.044 . 1 . . . . 58 Leu CA . 25334 1 289 . 1 1 59 59 LEU CB C 13 44.380 0.036 . 1 . . . . 58 Leu CB . 25334 1 290 . 1 1 59 59 LEU CG C 13 26.846 0.033 . 1 . . . . 58 Leu CG . 25334 1 291 . 1 1 59 59 LEU CD1 C 13 23.602 0.039 . 2 . . . . 58 Leu CD1 . 25334 1 292 . 1 1 59 59 LEU CD2 C 13 25.924 0.030 . 2 . . . . 58 Leu CD2 . 25334 1 293 . 1 1 59 59 LEU N N 15 127.177 0.119 . 1 . . . . 58 Leu N . 25334 1 294 . 1 1 60 60 ASN C C 13 176.319 0.056 . 1 . . . . 59 Asn C . 25334 1 295 . 1 1 60 60 ASN CA C 13 50.464 0.048 . 1 . . . . 59 Asn CA . 25334 1 296 . 1 1 60 60 ASN CB C 13 41.025 0.047 . 1 . . . . 59 Asn CB . 25334 1 297 . 1 1 60 60 ASN CG C 13 174.923 0.030 . 1 . . . . 59 Asn CG . 25334 1 298 . 1 1 60 60 ASN N N 15 118.513 0.064 . 1 . . . . 59 Asn N . 25334 1 299 . 1 1 61 61 ASP C C 13 174.609 0.026 . 1 . . . . 60 Asp C . 25334 1 300 . 1 1 61 61 ASP CA C 13 53.917 0.035 . 1 . . . . 60 Asp CA . 25334 1 301 . 1 1 61 61 ASP CB C 13 42.424 0.061 . 1 . . . . 60 Asp CB . 25334 1 302 . 1 1 61 61 ASP CG C 13 180.399 0.037 . 1 . . . . 60 Asp CG . 25334 1 303 . 1 1 61 61 ASP N N 15 117.099 0.112 . 1 . . . . 60 Asp N . 25334 1 304 . 1 1 62 62 CYS C C 13 177.906 0.031 . 1 . . . . 61 Cys C . 25334 1 305 . 1 1 62 62 CYS CA C 13 56.240 0.046 . 1 . . . . 61 Cys CA . 25334 1 306 . 1 1 62 62 CYS CB C 13 41.622 0.040 . 1 . . . . 61 Cys CB . 25334 1 307 . 1 1 62 62 CYS N N 15 111.953 0.074 . 1 . . . . 61 Cys N . 25334 1 308 . 1 1 63 63 ASP C C 13 178.110 0.042 . 1 . . . . 62 Asp C . 25334 1 309 . 1 1 63 63 ASP CA C 13 52.230 0.053 . 1 . . . . 62 Asp CA . 25334 1 310 . 1 1 63 63 ASP CB C 13 41.521 0.062 . 1 . . . . 62 Asp CB . 25334 1 311 . 1 1 63 63 ASP CG C 13 180.073 0.028 . 1 . . . . 62 Asp CG . 25334 1 312 . 1 1 63 63 ASP N N 15 121.758 0.063 . 1 . . . . 62 Asp N . 25334 1 313 . 1 1 64 64 THR C C 13 176.440 0.045 . 1 . . . . 63 Thr C . 25334 1 314 . 1 1 64 64 THR CA C 13 63.003 0.050 . 1 . . . . 63 Thr CA . 25334 1 315 . 1 1 64 64 THR CB C 13 68.431 0.074 . 1 . . . . 63 Thr CB . 25334 1 316 . 1 1 64 64 THR CG2 C 13 21.554 0.042 . 1 . . . . 63 Thr CG2 . 25334 1 317 . 1 1 64 64 THR N N 15 115.751 0.114 . 1 . . . . 63 Thr N . 25334 1 318 . 1 1 65 65 ASN C C 13 176.238 0.040 . 1 . . . . 64 Asn C . 25334 1 319 . 1 1 65 65 ASN CA C 13 54.578 0.034 . 1 . . . . 64 Asn CA . 25334 1 320 . 1 1 65 65 ASN CB C 13 38.189 0.053 . 1 . . . . 64 Asn CB . 25334 1 321 . 1 1 65 65 ASN CG C 13 177.322 0.009 . 1 . . . . 64 Asn CG . 25334 1 322 . 1 1 65 65 ASN N N 15 119.270 0.079 . 1 . . . . 64 Asn N . 25334 1 323 . 1 1 66 66 VAL C C 13 175.638 0.043 . 1 . . . . 65 Val C . 25334 1 324 . 1 1 66 66 VAL CA C 13 64.104 0.059 . 1 . . . . 65 Val CA . 25334 1 325 . 1 1 66 66 VAL CB C 13 32.366 0.047 . 1 . . . . 65 Val CB . 25334 1 326 . 1 1 66 66 VAL CG1 C 13 21.459 0.020 . 2 . . . . 65 Val CG1 . 25334 1 327 . 1 1 66 66 VAL CG2 C 13 22.694 0.033 . 2 . . . . 65 Val CG2 . 25334 1 328 . 1 1 66 66 VAL N N 15 120.797 0.103 . 1 . . . . 65 Val N . 25334 1 329 . 1 1 67 67 ALA C C 13 173.538 0.030 . 1 . . . . 66 Ala C . 25334 1 330 . 1 1 67 67 ALA CA C 13 52.125 0.053 . 1 . . . . 66 Ala CA . 25334 1 331 . 1 1 67 67 ALA CB C 13 23.189 0.029 . 1 . . . . 66 Ala CB . 25334 1 332 . 1 1 67 67 ALA N N 15 119.549 0.105 . 1 . . . . 66 Ala N . 25334 1 333 . 1 1 68 68 SER C C 13 174.960 0.031 . 1 . . . . 67 Ser C . 25334 1 334 . 1 1 68 68 SER CA C 13 58.370 0.037 . 1 . . . . 67 Ser CA . 25334 1 335 . 1 1 68 68 SER CB C 13 65.737 0.032 . 1 . . . . 67 Ser CB . 25334 1 336 . 1 1 68 68 SER N N 15 111.846 0.077 . 1 . . . . 67 Ser N . 25334 1 337 . 1 1 69 69 LYS C C 13 174.562 0.035 . 1 . . . . 68 Lys C . 25334 1 338 . 1 1 69 69 LYS CA C 13 55.073 0.048 . 1 . . . . 68 Lys CA . 25334 1 339 . 1 1 69 69 LYS CB C 13 37.648 0.047 . 1 . . . . 68 Lys CB . 25334 1 340 . 1 1 69 69 LYS CG C 13 24.440 0.057 . 1 . . . . 68 Lys CG . 25334 1 341 . 1 1 69 69 LYS CD C 13 29.365 0.031 . 1 . . . . 68 Lys CD . 25334 1 342 . 1 1 69 69 LYS CE C 13 42.101 0.050 . 1 . . . . 68 Lys CE . 25334 1 343 . 1 1 69 69 LYS N N 15 122.586 0.078 . 1 . . . . 68 Lys N . 25334 1 344 . 1 1 70 70 ALA C C 13 176.204 0.025 . 1 . . . . 69 Ala C . 25334 1 345 . 1 1 70 70 ALA CA C 13 49.686 0.049 . 1 . . . . 69 Ala CA . 25334 1 346 . 1 1 70 70 ALA CB C 13 24.712 0.032 . 1 . . . . 69 Ala CB . 25334 1 347 . 1 1 70 70 ALA N N 15 119.212 0.076 . 1 . . . . 69 Ala N . 25334 1 348 . 1 1 71 71 ALA C C 13 174.409 0.047 . 1 . . . . 70 Ala C . 25334 1 349 . 1 1 71 71 ALA CA C 13 51.333 0.030 . 1 . . . . 70 Ala CA . 25334 1 350 . 1 1 71 71 ALA CB C 13 24.165 0.044 . 1 . . . . 70 Ala CB . 25334 1 351 . 1 1 71 71 ALA N N 15 123.523 0.107 . 1 . . . . 70 Ala N . 25334 1 352 . 1 1 72 72 VAL C C 13 173.968 0.033 . 1 . . . . 71 Val C . 25334 1 353 . 1 1 72 72 VAL CA C 13 60.854 0.051 . 1 . . . . 71 Val CA . 25334 1 354 . 1 1 72 72 VAL CB C 13 36.130 0.054 . 1 . . . . 71 Val CB . 25334 1 355 . 1 1 72 72 VAL CG1 C 13 21.622 0.033 . 2 . . . . 71 Val CG1 . 25334 1 356 . 1 1 72 72 VAL CG2 C 13 22.849 0.042 . 2 . . . . 71 Val CG2 . 25334 1 357 . 1 1 72 72 VAL N N 15 119.887 0.063 . 1 . . . . 71 Val N . 25334 1 358 . 1 1 73 73 ALA C C 13 176.268 0.034 . 1 . . . . 72 Ala C . 25334 1 359 . 1 1 73 73 ALA CA C 13 49.742 0.040 . 1 . . . . 72 Ala CA . 25334 1 360 . 1 1 73 73 ALA CB C 13 20.298 0.048 . 1 . . . . 72 Ala CB . 25334 1 361 . 1 1 73 73 ALA N N 15 127.447 0.084 . 1 . . . . 72 Ala N . 25334 1 362 . 1 1 74 74 PHE C C 13 174.631 0.023 . 1 . . . . 73 Phe C . 25334 1 363 . 1 1 74 74 PHE CA C 13 56.708 0.053 . 1 . . . . 73 Phe CA . 25334 1 364 . 1 1 74 74 PHE CB C 13 42.188 0.046 . 1 . . . . 73 Phe CB . 25334 1 365 . 1 1 74 74 PHE CG C 13 140.164 0.075 . 1 . . . . 73 Phe CG . 25334 1 366 . 1 1 74 74 PHE CE1 C 13 131.154 0.000 . 3 . . . . 73 Phe CE1 . 25334 1 367 . 1 1 74 74 PHE CE2 C 13 131.154 0.000 . 3 . . . . 73 Phe CE2 . 25334 1 368 . 1 1 74 74 PHE N N 15 120.932 0.109 . 1 . . . . 73 Phe N . 25334 1 369 . 1 1 75 75 LEU C C 13 174.527 0.026 . 1 . . . . 74 Leu C . 25334 1 370 . 1 1 75 75 LEU CA C 13 53.033 0.040 . 1 . . . . 74 Leu CA . 25334 1 371 . 1 1 75 75 LEU CB C 13 45.373 0.039 . 1 . . . . 74 Leu CB . 25334 1 372 . 1 1 75 75 LEU CG C 13 27.392 0.036 . 1 . . . . 74 Leu CG . 25334 1 373 . 1 1 75 75 LEU CD1 C 13 28.262 0.031 . 2 . . . . 74 Leu CD1 . 25334 1 374 . 1 1 75 75 LEU CD2 C 13 22.733 0.027 . 2 . . . . 74 Leu CD2 . 25334 1 375 . 1 1 75 75 LEU N N 15 123.543 0.000 . 1 . . . . 74 Leu N . 25334 1 376 . 1 1 76 76 GLY C C 13 169.569 0.067 . 1 . . . . 75 Gly C . 25334 1 377 . 1 1 76 76 GLY CA C 13 44.459 0.055 . 1 . . . . 75 Gly CA . 25334 1 378 . 1 1 76 76 GLY N N 15 111.758 0.090 . 1 . . . . 75 Gly N . 25334 1 379 . 1 1 77 77 THR C C 13 173.230 0.043 . 1 . . . . 76 Thr C . 25334 1 380 . 1 1 77 77 THR CA C 13 62.929 0.054 . 1 . . . . 76 Thr CA . 25334 1 381 . 1 1 77 77 THR CB C 13 68.292 0.048 . 1 . . . . 76 Thr CB . 25334 1 382 . 1 1 77 77 THR CG2 C 13 21.674 0.042 . 1 . . . . 76 Thr CG2 . 25334 1 383 . 1 1 77 77 THR N N 15 117.457 0.069 . 1 . . . . 76 Thr N . 25334 1 384 . 1 1 78 78 ALA C C 13 177.817 0.037 . 1 . . . . 77 Ala C . 25334 1 385 . 1 1 78 78 ALA CA C 13 50.368 0.038 . 1 . . . . 77 Ala CA . 25334 1 386 . 1 1 78 78 ALA CB C 13 20.236 0.056 . 1 . . . . 77 Ala CB . 25334 1 387 . 1 1 78 78 ALA N N 15 130.247 0.066 . 1 . . . . 77 Ala N . 25334 1 388 . 1 1 79 79 ILE C C 13 174.811 0.050 . 1 . . . . 78 Ile C . 25334 1 389 . 1 1 79 79 ILE CA C 13 64.876 0.044 . 1 . . . . 78 Ile CA . 25334 1 390 . 1 1 79 79 ILE CB C 13 39.675 0.046 . 1 . . . . 78 Ile CB . 25334 1 391 . 1 1 79 79 ILE CG1 C 13 29.480 0.037 . 1 . . . . 78 Ile CG1 . 25334 1 392 . 1 1 79 79 ILE CG2 C 13 17.382 0.031 . 1 . . . . 78 Ile CG2 . 25334 1 393 . 1 1 79 79 ILE CD1 C 13 14.655 0.038 . 1 . . . . 78 Ile CD1 . 25334 1 394 . 1 1 79 79 ILE N N 15 118.307 0.057 . 1 . . . . 78 Ile N . 25334 1 395 . 1 1 80 80 ASP C C 13 176.348 0.041 . 1 . . . . 79 Asp C . 25334 1 396 . 1 1 80 80 ASP CA C 13 54.137 0.037 . 1 . . . . 79 Asp CA . 25334 1 397 . 1 1 80 80 ASP CB C 13 41.947 0.051 . 1 . . . . 79 Asp CB . 25334 1 398 . 1 1 80 80 ASP CG C 13 181.559 0.032 . 1 . . . . 79 Asp CG . 25334 1 399 . 1 1 80 80 ASP N N 15 112.104 0.053 . 1 . . . . 79 Asp N . 25334 1 400 . 1 1 81 81 ALA C C 13 178.425 0.026 . 1 . . . . 80 Ala C . 25334 1 401 . 1 1 81 81 ALA CA C 13 54.205 0.042 . 1 . . . . 80 Ala CA . 25334 1 402 . 1 1 81 81 ALA CB C 13 18.529 0.036 . 1 . . . . 80 Ala CB . 25334 1 403 . 1 1 81 81 ALA N N 15 119.527 0.099 . 1 . . . . 80 Ala N . 25334 1 404 . 1 1 82 82 GLY C C 13 173.919 0.048 . 1 . . . . 81 Gly C . 25334 1 405 . 1 1 82 82 GLY CA C 13 44.640 0.041 . 1 . . . . 81 Gly CA . 25334 1 406 . 1 1 82 82 GLY N N 15 105.017 0.020 . 1 . . . . 81 Gly N . 25334 1 407 . 1 1 83 83 HIS C C 13 174.625 0.033 . 1 . . . . 82 His C . 25334 1 408 . 1 1 83 83 HIS CA C 13 54.648 0.041 . 1 . . . . 82 His CA . 25334 1 409 . 1 1 83 83 HIS CB C 13 27.972 0.067 . 1 . . . . 82 His CB . 25334 1 410 . 1 1 83 83 HIS CG C 13 132.293 0.049 . 1 . . . . 82 His CG . 25334 1 411 . 1 1 83 83 HIS CD2 C 13 119.809 0.000 . 1 . . . . 82 His CD2 . 25334 1 412 . 1 1 83 83 HIS N N 15 120.939 0.059 . 1 . . . . 82 His N . 25334 1 413 . 1 1 84 84 THR C C 13 174.564 0.032 . 1 . . . . 83 Thr C . 25334 1 414 . 1 1 84 84 THR CA C 13 63.470 0.057 . 1 . . . . 83 Thr CA . 25334 1 415 . 1 1 84 84 THR CB C 13 68.279 0.057 . 1 . . . . 83 Thr CB . 25334 1 416 . 1 1 84 84 THR CG2 C 13 22.742 0.070 . 1 . . . . 83 Thr CG2 . 25334 1 417 . 1 1 84 84 THR N N 15 109.305 0.057 . 1 . . . . 83 Thr N . 25334 1 418 . 1 1 85 85 ASN C C 13 174.160 0.017 . 1 . . . . 84 Asn C . 25334 1 419 . 1 1 85 85 ASN CA C 13 51.109 0.044 . 1 . . . . 84 Asn CA . 25334 1 420 . 1 1 85 85 ASN CB C 13 38.171 0.054 . 1 . . . . 84 Asn CB . 25334 1 421 . 1 1 85 85 ASN CG C 13 177.370 0.013 . 1 . . . . 84 Asn CG . 25334 1 422 . 1 1 85 85 ASN N N 15 116.581 0.076 . 1 . . . . 84 Asn N . 25334 1 423 . 1 1 86 86 VAL C C 13 172.891 0.026 . 1 . . . . 85 Val C . 25334 1 424 . 1 1 86 86 VAL CA C 13 61.905 0.042 . 1 . . . . 85 Val CA . 25334 1 425 . 1 1 86 86 VAL CB C 13 33.313 0.034 . 1 . . . . 85 Val CB . 25334 1 426 . 1 1 86 86 VAL CG1 C 13 21.366 0.020 . 2 . . . . 85 Val CG1 . 25334 1 427 . 1 1 86 86 VAL CG2 C 13 22.362 0.026 . 2 . . . . 85 Val CG2 . 25334 1 428 . 1 1 86 86 VAL N N 15 120.926 0.039 . 1 . . . . 85 Val N . 25334 1 429 . 1 1 87 87 LEU C C 13 175.964 0.050 . 1 . . . . 86 Leu C . 25334 1 430 . 1 1 87 87 LEU CA C 13 54.693 0.033 . 1 . . . . 86 Leu CA . 25334 1 431 . 1 1 87 87 LEU CB C 13 40.838 0.025 . 1 . . . . 86 Leu CB . 25334 1 432 . 1 1 87 87 LEU CG C 13 26.300 0.034 . 1 . . . . 86 Leu CG . 25334 1 433 . 1 1 87 87 LEU CD1 C 13 22.986 0.032 . 2 . . . . 86 Leu CD1 . 25334 1 434 . 1 1 87 87 LEU CD2 C 13 23.722 0.088 . 2 . . . . 86 Leu CD2 . 25334 1 435 . 1 1 87 87 LEU N N 15 131.733 0.110 . 1 . . . . 86 Leu N . 25334 1 436 . 1 1 88 88 ALA C C 13 175.685 0.054 . 1 . . . . 87 Ala C . 25334 1 437 . 1 1 88 88 ALA CA C 13 51.087 0.037 . 1 . . . . 87 Ala CA . 25334 1 438 . 1 1 88 88 ALA CB C 13 20.600 0.032 . 1 . . . . 87 Ala CB . 25334 1 439 . 1 1 88 88 ALA N N 15 126.429 0.063 . 1 . . . . 87 Ala N . 25334 1 440 . 1 1 89 89 LEU C C 13 179.369 0.052 . 1 . . . . 88 Leu C . 25334 1 441 . 1 1 89 89 LEU CA C 13 53.438 0.051 . 1 . . . . 88 Leu CA . 25334 1 442 . 1 1 89 89 LEU CB C 13 41.593 0.041 . 1 . . . . 88 Leu CB . 25334 1 443 . 1 1 89 89 LEU CG C 13 26.312 0.041 . 1 . . . . 88 Leu CG . 25334 1 444 . 1 1 89 89 LEU CD1 C 13 21.127 0.034 . 2 . . . . 88 Leu CD1 . 25334 1 445 . 1 1 89 89 LEU CD2 C 13 27.072 0.029 . 2 . . . . 88 Leu CD2 . 25334 1 446 . 1 1 89 89 LEU N N 15 117.599 0.069 . 1 . . . . 88 Leu N . 25334 1 447 . 1 1 90 90 GLN C C 13 176.600 0.036 . 1 . . . . 89 Gln C . 25334 1 448 . 1 1 90 90 GLN CA C 13 54.357 0.034 . 1 . . . . 89 Gln CA . 25334 1 449 . 1 1 90 90 GLN CB C 13 29.547 0.049 . 1 . . . . 89 Gln CB . 25334 1 450 . 1 1 90 90 GLN CG C 13 31.218 0.034 . 1 . . . . 89 Gln CG . 25334 1 451 . 1 1 90 90 GLN CD C 13 181.623 0.032 . 1 . . . . 89 Gln CD . 25334 1 452 . 1 1 90 90 GLN N N 15 114.248 0.066 . 1 . . . . 89 Gln N . 25334 1 453 . 1 1 91 91 SER C C 13 173.356 0.078 . 1 . . . . 90 Ser C . 25334 1 454 . 1 1 91 91 SER CA C 13 63.522 0.030 . 1 . . . . 90 Ser CA . 25334 1 455 . 1 1 91 91 SER CB C 13 58.254 0.080 . 1 . . . . 90 Ser CB . 25334 1 456 . 1 1 91 91 SER N N 15 111.781 0.090 . 1 . . . . 90 Ser N . 25334 1 457 . 1 1 92 92 SER C C 13 173.278 0.056 . 1 . . . . 91 Ser C . 25334 1 458 . 1 1 92 92 SER CA C 13 58.312 0.034 . 1 . . . . 91 Ser CA . 25334 1 459 . 1 1 92 92 SER CB C 13 64.518 0.028 . 1 . . . . 91 Ser CB . 25334 1 460 . 1 1 92 92 SER N N 15 115.391 0.064 . 1 . . . . 91 Ser N . 25334 1 461 . 1 1 93 93 ALA C C 13 175.224 0.017 . 1 . . . . 92 Ala C . 25334 1 462 . 1 1 93 93 ALA CA C 13 54.133 0.031 . 1 . . . . 92 Ala CA . 25334 1 463 . 1 1 93 93 ALA CB C 13 17.977 0.033 . 1 . . . . 92 Ala CB . 25334 1 464 . 1 1 93 93 ALA N N 15 119.735 0.101 . 1 . . . . 92 Ala N . 25334 1 465 . 1 1 94 94 ALA C C 13 179.548 0.048 . 1 . . . . 93 Ala C . 25334 1 466 . 1 1 94 94 ALA CA C 13 50.370 0.046 . 1 . . . . 93 Ala CA . 25334 1 467 . 1 1 94 94 ALA CB C 13 25.381 0.040 . 1 . . . . 93 Ala CB . 25334 1 468 . 1 1 94 94 ALA N N 15 115.053 0.028 . 1 . . . . 93 Ala N . 25334 1 469 . 1 1 95 95 GLY C C 13 174.932 0.014 . 1 . . . . 94 Gly C . 25334 1 470 . 1 1 95 95 GLY CA C 13 46.230 0.053 . 1 . . . . 94 Gly CA . 25334 1 471 . 1 1 95 95 GLY N N 15 107.130 0.028 . 1 . . . . 94 Gly N . 25334 1 472 . 1 1 96 96 SER C C 13 174.320 0.050 . 1 . . . . 95 Ser C . 25334 1 473 . 1 1 96 96 SER CA C 13 58.830 0.030 . 1 . . . . 95 Ser CA . 25334 1 474 . 1 1 96 96 SER CB C 13 64.619 0.031 . 1 . . . . 95 Ser CB . 25334 1 475 . 1 1 96 96 SER N N 15 115.538 0.056 . 1 . . . . 95 Ser N . 25334 1 476 . 1 1 97 97 ALA C C 13 177.174 0.009 . 1 . . . . 96 Ala C . 25334 1 477 . 1 1 97 97 ALA CA C 13 52.889 0.051 . 1 . . . . 96 Ala CA . 25334 1 478 . 1 1 97 97 ALA CB C 13 19.779 0.052 . 1 . . . . 96 Ala CB . 25334 1 479 . 1 1 97 97 ALA N N 15 126.820 0.079 . 1 . . . . 96 Ala N . 25334 1 480 . 1 1 98 98 THR C C 13 173.086 0.034 . 1 . . . . 97 Thr C . 25334 1 481 . 1 1 98 98 THR CA C 13 60.138 0.035 . 1 . . . . 97 Thr CA . 25334 1 482 . 1 1 98 98 THR CB C 13 71.387 0.052 . 1 . . . . 97 Thr CB . 25334 1 483 . 1 1 98 98 THR CG2 C 13 21.495 0.049 . 1 . . . . 97 Thr CG2 . 25334 1 484 . 1 1 98 98 THR N N 15 110.120 0.042 . 1 . . . . 97 Thr N . 25334 1 485 . 1 1 99 99 ASN C C 13 173.708 0.036 . 1 . . . . 98 Asn C . 25334 1 486 . 1 1 99 99 ASN CA C 13 53.719 0.041 . 1 . . . . 98 Asn CA . 25334 1 487 . 1 1 99 99 ASN CB C 13 35.512 0.040 . 1 . . . . 98 Asn CB . 25334 1 488 . 1 1 99 99 ASN CG C 13 178.274 0.031 . 1 . . . . 98 Asn CG . 25334 1 489 . 1 1 99 99 ASN N N 15 112.804 0.079 . 1 . . . . 98 Asn N . 25334 1 490 . 1 1 100 100 VAL C C 13 172.676 0.010 . 1 . . . . 99 Val C . 25334 1 491 . 1 1 100 100 VAL CA C 13 59.931 0.032 . 1 . . . . 99 Val CA . 25334 1 492 . 1 1 100 100 VAL CB C 13 34.924 0.043 . 1 . . . . 99 Val CB . 25334 1 493 . 1 1 100 100 VAL CG1 C 13 23.828 0.025 . 2 . . . . 99 Val CG1 . 25334 1 494 . 1 1 100 100 VAL CG2 C 13 21.411 0.020 . 2 . . . . 99 Val CG2 . 25334 1 495 . 1 1 100 100 VAL N N 15 112.568 0.078 . 1 . . . . 99 Val N . 25334 1 496 . 1 1 101 101 GLY C C 13 172.287 0.061 . 1 . . . . 100 Gly C . 25334 1 497 . 1 1 101 101 GLY CA C 13 44.878 0.033 . 1 . . . . 100 Gly CA . 25334 1 498 . 1 1 101 101 GLY N N 15 112.123 0.064 . 1 . . . . 100 Gly N . 25334 1 499 . 1 1 102 102 VAL C C 13 174.920 0.018 . 1 . . . . 101 Val C . 25334 1 500 . 1 1 102 102 VAL CA C 13 61.364 0.053 . 1 . . . . 101 Val CA . 25334 1 501 . 1 1 102 102 VAL CB C 13 34.699 0.037 . 1 . . . . 101 Val CB . 25334 1 502 . 1 1 102 102 VAL CG1 C 13 19.974 0.027 . 2 . . . . 101 Val CG1 . 25334 1 503 . 1 1 102 102 VAL CG2 C 13 22.806 0.030 . 2 . . . . 101 Val CG2 . 25334 1 504 . 1 1 102 102 VAL N N 15 120.978 0.022 . 1 . . . . 101 Val N . 25334 1 505 . 1 1 103 103 GLN C C 13 173.363 0.053 . 1 . . . . 102 Gln C . 25334 1 506 . 1 1 103 103 GLN CA C 13 54.121 0.036 . 1 . . . . 102 Gln CA . 25334 1 507 . 1 1 103 103 GLN CB C 13 33.755 0.042 . 1 . . . . 102 Gln CB . 25334 1 508 . 1 1 103 103 GLN CG C 13 35.071 0.039 . 1 . . . . 102 Gln CG . 25334 1 509 . 1 1 103 103 GLN CD C 13 179.153 0.031 . 1 . . . . 102 Gln CD . 25334 1 510 . 1 1 103 103 GLN N N 15 123.260 0.107 . 1 . . . . 102 Gln N . 25334 1 511 . 1 1 104 104 ILE C C 13 173.843 0.029 . 1 . . . . 103 Ile C . 25334 1 512 . 1 1 104 104 ILE CA C 13 60.412 0.051 . 1 . . . . 103 Ile CA . 25334 1 513 . 1 1 104 104 ILE CB C 13 39.584 0.048 . 1 . . . . 103 Ile CB . 25334 1 514 . 1 1 104 104 ILE CG1 C 13 27.359 0.042 . 1 . . . . 103 Ile CG1 . 25334 1 515 . 1 1 104 104 ILE CG2 C 13 17.982 0.035 . 1 . . . . 103 Ile CG2 . 25334 1 516 . 1 1 104 104 ILE CD1 C 13 13.899 0.060 . 1 . . . . 103 Ile CD1 . 25334 1 517 . 1 1 104 104 ILE N N 15 122.957 0.072 . 1 . . . . 103 Ile N . 25334 1 518 . 1 1 105 105 LEU C C 13 177.986 0.038 . 1 . . . . 104 Leu C . 25334 1 519 . 1 1 105 105 LEU CA C 13 52.137 0.045 . 1 . . . . 104 Leu CA . 25334 1 520 . 1 1 105 105 LEU CB C 13 42.949 0.040 . 1 . . . . 104 Leu CB . 25334 1 521 . 1 1 105 105 LEU CG C 13 27.909 0.029 . 1 . . . . 104 Leu CG . 25334 1 522 . 1 1 105 105 LEU CD1 C 13 24.553 0.033 . 2 . . . . 104 Leu CD1 . 25334 1 523 . 1 1 105 105 LEU CD2 C 13 23.032 0.023 . 2 . . . . 104 Leu CD2 . 25334 1 524 . 1 1 105 105 LEU N N 15 126.037 0.085 . 1 . . . . 104 Leu N . 25334 1 525 . 1 1 106 106 ASP C C 13 177.393 0.034 . 1 . . . . 105 Asp C . 25334 1 526 . 1 1 106 106 ASP CA C 13 51.248 0.041 . 1 . . . . 105 Asp CA . 25334 1 527 . 1 1 106 106 ASP CB C 13 42.835 0.045 . 1 . . . . 105 Asp CB . 25334 1 528 . 1 1 106 106 ASP CG C 13 178.886 0.040 . 1 . . . . 105 Asp CG . 25334 1 529 . 1 1 106 106 ASP N N 15 117.816 0.073 . 1 . . . . 105 Asp N . 25334 1 530 . 1 1 107 107 ARG C C 13 177.738 0.042 . 1 . . . . 106 Arg C . 25334 1 531 . 1 1 107 107 ARG CA C 13 57.734 0.054 . 1 . . . . 106 Arg CA . 25334 1 532 . 1 1 107 107 ARG CB C 13 27.450 0.034 . 1 . . . . 106 Arg CB . 25334 1 533 . 1 1 107 107 ARG CG C 13 25.957 0.048 . 1 . . . . 106 Arg CG . 25334 1 534 . 1 1 107 107 ARG CD C 13 44.002 0.051 . 1 . . . . 106 Arg CD . 25334 1 535 . 1 1 107 107 ARG CZ C 13 158.964 0.039 . 1 . . . . 106 Arg CZ . 25334 1 536 . 1 1 107 107 ARG N N 15 110.282 0.081 . 1 . . . . 106 Arg N . 25334 1 537 . 1 1 108 108 THR C C 13 173.535 0.025 . 1 . . . . 107 Thr C . 25334 1 538 . 1 1 108 108 THR CA C 13 61.712 0.038 . 1 . . . . 107 Thr CA . 25334 1 539 . 1 1 108 108 THR CB C 13 69.959 0.054 . 1 . . . . 107 Thr CB . 25334 1 540 . 1 1 108 108 THR CG2 C 13 22.817 0.024 . 1 . . . . 107 Thr CG2 . 25334 1 541 . 1 1 108 108 THR N N 15 117.709 0.053 . 1 . . . . 107 Thr N . 25334 1 542 . 1 1 109 109 GLY C C 13 173.393 0.006 . 1 . . . . 108 Gly C . 25334 1 543 . 1 1 109 109 GLY CA C 13 45.527 0.054 . 1 . . . . 108 Gly CA . 25334 1 544 . 1 1 109 109 GLY N N 15 109.668 0.088 . 1 . . . . 108 Gly N . 25334 1 545 . 1 1 110 110 ALA C C 13 176.163 0.027 . 1 . . . . 109 Ala C . 25334 1 546 . 1 1 110 110 ALA CA C 13 50.942 0.036 . 1 . . . . 109 Ala CA . 25334 1 547 . 1 1 110 110 ALA CB C 13 20.211 0.035 . 1 . . . . 109 Ala CB . 25334 1 548 . 1 1 110 110 ALA N N 15 123.007 0.060 . 1 . . . . 109 Ala N . 25334 1 549 . 1 1 111 111 ALA C C 13 178.748 0.039 . 1 . . . . 110 Ala C . 25334 1 550 . 1 1 111 111 ALA CA C 13 51.325 0.023 . 1 . . . . 110 Ala CA . 25334 1 551 . 1 1 111 111 ALA CB C 13 18.753 0.029 . 1 . . . . 110 Ala CB . 25334 1 552 . 1 1 111 111 ALA N N 15 123.855 0.082 . 1 . . . . 110 Ala N . 25334 1 553 . 1 1 112 112 LEU C C 13 177.092 0.025 . 1 . . . . 111 Leu C . 25334 1 554 . 1 1 112 112 LEU CA C 13 54.338 0.036 . 1 . . . . 111 Leu CA . 25334 1 555 . 1 1 112 112 LEU CB C 13 42.253 0.025 . 1 . . . . 111 Leu CB . 25334 1 556 . 1 1 112 112 LEU CG C 13 26.604 0.017 . 1 . . . . 111 Leu CG . 25334 1 557 . 1 1 112 112 LEU CD1 C 13 26.869 0.029 . 2 . . . . 111 Leu CD1 . 25334 1 558 . 1 1 112 112 LEU CD2 C 13 22.496 0.021 . 2 . . . . 111 Leu CD2 . 25334 1 559 . 1 1 112 112 LEU N N 15 126.392 0.122 . 1 . . . . 111 Leu N . 25334 1 560 . 1 1 113 113 THR C C 13 174.818 0.022 . 1 . . . . 112 Thr C . 25334 1 561 . 1 1 113 113 THR CA C 13 64.444 0.062 . 1 . . . . 112 Thr CA . 25334 1 562 . 1 1 113 113 THR CB C 13 68.647 0.051 . 1 . . . . 112 Thr CB . 25334 1 563 . 1 1 113 113 THR CG2 C 13 22.703 0.022 . 1 . . . . 112 Thr CG2 . 25334 1 564 . 1 1 113 113 THR N N 15 118.519 0.081 . 1 . . . . 112 Thr N . 25334 1 565 . 1 1 114 114 LEU C C 13 177.604 0.037 . 1 . . . . 113 Leu C . 25334 1 566 . 1 1 114 114 LEU CA C 13 54.630 0.034 . 1 . . . . 113 Leu CA . 25334 1 567 . 1 1 114 114 LEU CB C 13 40.635 0.032 . 1 . . . . 113 Leu CB . 25334 1 568 . 1 1 114 114 LEU CG C 13 26.576 0.038 . 1 . . . . 113 Leu CG . 25334 1 569 . 1 1 114 114 LEU CD1 C 13 26.214 0.024 . 2 . . . . 113 Leu CD1 . 25334 1 570 . 1 1 114 114 LEU CD2 C 13 23.011 0.027 . 2 . . . . 113 Leu CD2 . 25334 1 571 . 1 1 114 114 LEU N N 15 130.761 0.127 . 1 . . . . 113 Leu N . 25334 1 572 . 1 1 115 115 ASP C C 13 177.506 0.025 . 1 . . . . 114 Asp C . 25334 1 573 . 1 1 115 115 ASP CA C 13 53.047 0.034 . 1 . . . . 114 Asp CA . 25334 1 574 . 1 1 115 115 ASP CB C 13 41.615 0.021 . 1 . . . . 114 Asp CB . 25334 1 575 . 1 1 115 115 ASP CG C 13 180.392 0.021 . 1 . . . . 114 Asp CG . 25334 1 576 . 1 1 115 115 ASP N N 15 117.176 0.090 . 1 . . . . 114 Asp N . 25334 1 577 . 1 1 116 116 GLY C C 13 172.052 0.041 . 1 . . . . 115 Gly C . 25334 1 578 . 1 1 116 116 GLY CA C 13 46.792 0.053 . 1 . . . . 115 Gly CA . 25334 1 579 . 1 1 116 116 GLY N N 15 109.884 0.089 . 1 . . . . 115 Gly N . 25334 1 580 . 1 1 117 117 ALA C C 13 175.429 0.015 . 1 . . . . 116 Ala C . 25334 1 581 . 1 1 117 117 ALA CA C 13 51.090 0.046 . 1 . . . . 116 Ala CA . 25334 1 582 . 1 1 117 117 ALA CB C 13 21.050 0.020 . 1 . . . . 116 Ala CB . 25334 1 583 . 1 1 117 117 ALA N N 15 119.517 0.053 . 1 . . . . 116 Ala N . 25334 1 584 . 1 1 118 118 THR C C 13 173.916 0.016 . 1 . . . . 117 Thr C . 25334 1 585 . 1 1 118 118 THR CA C 13 61.941 0.051 . 1 . . . . 117 Thr CA . 25334 1 586 . 1 1 118 118 THR CB C 13 67.592 0.079 . 1 . . . . 117 Thr CB . 25334 1 587 . 1 1 118 118 THR CG2 C 13 21.581 0.026 . 1 . . . . 117 Thr CG2 . 25334 1 588 . 1 1 118 118 THR N N 15 120.277 0.072 . 1 . . . . 117 Thr N . 25334 1 589 . 1 1 119 119 PHE C C 13 176.799 0.060 . 1 . . . . 118 Phe C . 25334 1 590 . 1 1 119 119 PHE CA C 13 59.859 0.042 . 1 . . . . 118 Phe CA . 25334 1 591 . 1 1 119 119 PHE CB C 13 40.325 0.051 . 1 . . . . 118 Phe CB . 25334 1 592 . 1 1 119 119 PHE CG C 13 140.988 0.009 . 1 . . . . 118 Phe CG . 25334 1 593 . 1 1 119 119 PHE CE1 C 13 129.204 0.000 . 3 . . . . 118 Phe CE1 . 25334 1 594 . 1 1 119 119 PHE CE2 C 13 129.204 0.000 . 3 . . . . 118 Phe CE2 . 25334 1 595 . 1 1 119 119 PHE N N 15 126.002 0.070 . 1 . . . . 118 Phe N . 25334 1 596 . 1 1 120 120 SER C C 13 172.520 0.017 . 1 . . . . 119 Ser C . 25334 1 597 . 1 1 120 120 SER CA C 13 57.980 0.043 . 1 . . . . 119 Ser CA . 25334 1 598 . 1 1 120 120 SER CB C 13 66.836 0.048 . 1 . . . . 119 Ser CB . 25334 1 599 . 1 1 120 120 SER N N 15 115.205 0.065 . 1 . . . . 119 Ser N . 25334 1 600 . 1 1 121 121 SER C C 13 176.430 0.029 . 1 . . . . 120 Ser C . 25334 1 601 . 1 1 121 121 SER CA C 13 60.279 0.046 . 1 . . . . 120 Ser CA . 25334 1 602 . 1 1 121 121 SER CB C 13 63.728 0.044 . 1 . . . . 120 Ser CB . 25334 1 603 . 1 1 121 121 SER N N 15 113.865 0.067 . 1 . . . . 120 Ser N . 25334 1 604 . 1 1 122 122 GLU C C 13 176.960 0.017 . 1 . . . . 121 Glu C . 25334 1 605 . 1 1 122 122 GLU CA C 13 57.076 0.061 . 1 . . . . 121 Glu CA . 25334 1 606 . 1 1 122 122 GLU CB C 13 31.102 0.039 . 1 . . . . 121 Glu CB . 25334 1 607 . 1 1 122 122 GLU CG C 13 36.558 0.057 . 1 . . . . 121 Glu CG . 25334 1 608 . 1 1 122 122 GLU CD C 13 182.840 0.031 . 1 . . . . 121 Glu CD . 25334 1 609 . 1 1 122 122 GLU N N 15 128.154 0.145 . 1 . . . . 121 Glu N . 25334 1 610 . 1 1 123 123 THR C C 13 172.369 0.010 . 1 . . . . 122 Thr C . 25334 1 611 . 1 1 123 123 THR CA C 13 62.127 0.032 . 1 . . . . 122 Thr CA . 25334 1 612 . 1 1 123 123 THR CB C 13 69.459 0.035 . 1 . . . . 122 Thr CB . 25334 1 613 . 1 1 123 123 THR CG2 C 13 21.940 0.021 . 1 . . . . 122 Thr CG2 . 25334 1 614 . 1 1 123 123 THR N N 15 119.053 0.056 . 1 . . . . 122 Thr N . 25334 1 615 . 1 1 124 124 THR C C 13 173.616 0.013 . 1 . . . . 123 Thr C . 25334 1 616 . 1 1 124 124 THR CA C 13 64.085 0.043 . 1 . . . . 123 Thr CA . 25334 1 617 . 1 1 124 124 THR CB C 13 69.367 0.029 . 1 . . . . 123 Thr CB . 25334 1 618 . 1 1 124 124 THR CG2 C 13 22.043 0.025 . 1 . . . . 123 Thr CG2 . 25334 1 619 . 1 1 124 124 THR N N 15 124.174 0.016 . 1 . . . . 123 Thr N . 25334 1 620 . 1 1 125 125 LEU C C 13 178.194 0.024 . 1 . . . . 124 Leu C . 25334 1 621 . 1 1 125 125 LEU CA C 13 53.671 0.032 . 1 . . . . 124 Leu CA . 25334 1 622 . 1 1 125 125 LEU CB C 13 43.934 0.029 . 1 . . . . 124 Leu CB . 25334 1 623 . 1 1 125 125 LEU CG C 13 26.788 0.035 . 1 . . . . 124 Leu CG . 25334 1 624 . 1 1 125 125 LEU CD1 C 13 25.195 0.025 . 2 . . . . 124 Leu CD1 . 25334 1 625 . 1 1 125 125 LEU CD2 C 13 21.083 0.019 . 2 . . . . 124 Leu CD2 . 25334 1 626 . 1 1 125 125 LEU N N 15 125.966 0.010 . 1 . . . . 124 Leu N . 25334 1 627 . 1 1 126 126 ASN C C 13 175.366 0.037 . 1 . . . . 125 Asn C . 25334 1 628 . 1 1 126 126 ASN CA C 13 51.448 0.022 . 1 . . . . 125 Asn CA . 25334 1 629 . 1 1 126 126 ASN CB C 13 43.304 0.029 . 1 . . . . 125 Asn CB . 25334 1 630 . 1 1 126 126 ASN N N 15 115.967 0.085 . 1 . . . . 125 Asn N . 25334 1 631 . 1 1 127 127 ASN C C 13 178.151 0.032 . 1 . . . . 126 Asn C . 25334 1 632 . 1 1 127 127 ASN CA C 13 54.180 0.024 . 1 . . . . 126 Asn CA . 25334 1 633 . 1 1 127 127 ASN CB C 13 38.217 0.022 . 1 . . . . 126 Asn CB . 25334 1 634 . 1 1 127 127 ASN CG C 13 176.305 0.027 . 1 . . . . 126 Asn CG . 25334 1 635 . 1 1 127 127 ASN N N 15 121.663 0.040 . 1 . . . . 126 Asn N . 25334 1 636 . 1 1 128 128 GLY C C 13 174.455 0.029 . 1 . . . . 127 Gly C . 25334 1 637 . 1 1 128 128 GLY CA C 13 46.511 0.047 . 1 . . . . 127 Gly CA . 25334 1 638 . 1 1 128 128 GLY N N 15 114.433 0.031 . 1 . . . . 127 Gly N . 25334 1 639 . 1 1 129 129 THR C C 13 174.420 0.025 . 1 . . . . 128 Thr C . 25334 1 640 . 1 1 129 129 THR CA C 13 63.658 0.048 . 1 . . . . 128 Thr CA . 25334 1 641 . 1 1 129 129 THR CB C 13 68.927 0.069 . 1 . . . . 128 Thr CB . 25334 1 642 . 1 1 129 129 THR CG2 C 13 22.671 0.021 . 1 . . . . 128 Thr CG2 . 25334 1 643 . 1 1 129 129 THR N N 15 125.596 0.113 . 1 . . . . 128 Thr N . 25334 1 644 . 1 1 130 130 ASN C C 13 172.790 0.050 . 1 . . . . 129 Asn C . 25334 1 645 . 1 1 130 130 ASN CA C 13 52.193 0.039 . 1 . . . . 129 Asn CA . 25334 1 646 . 1 1 130 130 ASN CB C 13 44.193 0.019 . 1 . . . . 129 Asn CB . 25334 1 647 . 1 1 130 130 ASN N N 15 124.172 0.162 . 1 . . . . 129 Asn N . 25334 1 648 . 1 1 131 131 THR C C 13 172.291 0.026 . 1 . . . . 130 Thr C . 25334 1 649 . 1 1 131 131 THR CA C 13 62.038 0.053 . 1 . . . . 130 Thr CA . 25334 1 650 . 1 1 131 131 THR CB C 13 69.774 0.049 . 1 . . . . 130 Thr CB . 25334 1 651 . 1 1 131 131 THR CG2 C 13 21.828 0.028 . 1 . . . . 130 Thr CG2 . 25334 1 652 . 1 1 131 131 THR N N 15 120.025 0.047 . 1 . . . . 130 Thr N . 25334 1 653 . 1 1 132 132 ILE C C 13 173.904 0.022 . 1 . . . . 131 Ile C . 25334 1 654 . 1 1 132 132 ILE CA C 13 56.904 0.056 . 1 . . . . 131 Ile CA . 25334 1 655 . 1 1 132 132 ILE CB C 13 38.235 0.054 . 1 . . . . 131 Ile CB . 25334 1 656 . 1 1 132 132 ILE CG1 C 13 26.685 0.036 . 1 . . . . 131 Ile CG1 . 25334 1 657 . 1 1 132 132 ILE CG2 C 13 18.707 0.045 . 1 . . . . 131 Ile CG2 . 25334 1 658 . 1 1 132 132 ILE CD1 C 13 10.744 0.057 . 1 . . . . 131 Ile CD1 . 25334 1 659 . 1 1 132 132 ILE N N 15 126.701 0.094 . 1 . . . . 131 Ile N . 25334 1 660 . 1 1 133 133 PRO C C 13 174.556 0.050 . 1 . . . . 132 Pro C . 25334 1 661 . 1 1 133 133 PRO CA C 13 62.541 0.075 . 1 . . . . 132 Pro CA . 25334 1 662 . 1 1 133 133 PRO CB C 13 32.113 0.049 . 1 . . . . 132 Pro CB . 25334 1 663 . 1 1 133 133 PRO CG C 13 25.917 0.032 . 1 . . . . 132 Pro CG . 25334 1 664 . 1 1 133 133 PRO CD C 13 50.031 0.050 . 1 . . . . 132 Pro CD . 25334 1 665 . 1 1 133 133 PRO N N 15 123.956 0.096 . 1 . . . . 132 Pro N . 25334 1 666 . 1 1 134 134 PHE C C 13 176.134 0.035 . 1 . . . . 133 Phe C . 25334 1 667 . 1 1 134 134 PHE CA C 13 56.514 0.042 . 1 . . . . 133 Phe CA . 25334 1 668 . 1 1 134 134 PHE CB C 13 44.534 0.033 . 1 . . . . 133 Phe CB . 25334 1 669 . 1 1 134 134 PHE CG C 13 142.187 0.059 . 1 . . . . 133 Phe CG . 25334 1 670 . 1 1 134 134 PHE N N 15 115.132 0.106 . 1 . . . . 133 Phe N . 25334 1 671 . 1 1 135 135 GLN C C 13 174.494 0.024 . 1 . . . . 134 Gln C . 25334 1 672 . 1 1 135 135 GLN CA C 13 54.176 0.034 . 1 . . . . 134 Gln CA . 25334 1 673 . 1 1 135 135 GLN CB C 13 34.779 0.046 . 1 . . . . 134 Gln CB . 25334 1 674 . 1 1 135 135 GLN CG C 13 34.997 0.045 . 1 . . . . 134 Gln CG . 25334 1 675 . 1 1 135 135 GLN CD C 13 180.300 0.042 . 1 . . . . 134 Gln CD . 25334 1 676 . 1 1 135 135 GLN N N 15 117.128 0.051 . 1 . . . . 134 Gln N . 25334 1 677 . 1 1 136 136 ALA C C 13 175.307 0.031 . 1 . . . . 135 Ala C . 25334 1 678 . 1 1 136 136 ALA CA C 13 49.701 0.037 . 1 . . . . 135 Ala CA . 25334 1 679 . 1 1 136 136 ALA CB C 13 23.610 0.034 . 1 . . . . 135 Ala CB . 25334 1 680 . 1 1 136 136 ALA N N 15 121.183 0.099 . 1 . . . . 135 Ala N . 25334 1 681 . 1 1 137 137 ARG C C 13 172.903 0.041 . 1 . . . . 136 Arg C . 25334 1 682 . 1 1 137 137 ARG CA C 13 53.552 0.038 . 1 . . . . 136 Arg CA . 25334 1 683 . 1 1 137 137 ARG CB C 13 33.157 0.042 . 1 . . . . 136 Arg CB . 25334 1 684 . 1 1 137 137 ARG CG C 13 25.120 0.039 . 1 . . . . 136 Arg CG . 25334 1 685 . 1 1 137 137 ARG CD C 13 44.885 0.026 . 1 . . . . 136 Arg CD . 25334 1 686 . 1 1 137 137 ARG CZ C 13 159.536 0.018 . 1 . . . . 136 Arg CZ . 25334 1 687 . 1 1 137 137 ARG N N 15 114.038 0.042 . 1 . . . . 136 Arg N . 25334 1 688 . 1 1 137 137 ARG NE N 15 87.117 0.000 . 1 . . . . 136 Arg NE . 25334 1 689 . 1 1 138 138 TYR C C 13 174.930 0.016 . 1 . . . . 137 Tyr C . 25334 1 690 . 1 1 138 138 TYR CA C 13 58.111 0.052 . 1 . . . . 137 Tyr CA . 25334 1 691 . 1 1 138 138 TYR CB C 13 40.922 0.068 . 1 . . . . 137 Tyr CB . 25334 1 692 . 1 1 138 138 TYR CG C 13 129.103 0.103 . 1 . . . . 137 Tyr CG . 25334 1 693 . 1 1 138 138 TYR CE1 C 13 117.988 0.066 . 3 . . . . 137 Tyr CE1 . 25334 1 694 . 1 1 138 138 TYR CE2 C 13 117.988 0.066 . 3 . . . . 137 Tyr CE2 . 25334 1 695 . 1 1 138 138 TYR N N 15 118.561 0.061 . 1 . . . . 137 Tyr N . 25334 1 696 . 1 1 139 139 PHE C C 13 173.514 0.024 . 1 . . . . 138 Phe C . 25334 1 697 . 1 1 139 139 PHE CA C 13 56.115 0.047 . 1 . . . . 138 Phe CA . 25334 1 698 . 1 1 139 139 PHE CB C 13 44.373 0.046 . 1 . . . . 138 Phe CB . 25334 1 699 . 1 1 139 139 PHE CG C 13 136.569 0.046 . 1 . . . . 138 Phe CG . 25334 1 700 . 1 1 139 139 PHE N N 15 122.782 0.039 . 1 . . . . 138 Phe N . 25334 1 701 . 1 1 140 140 ALA C C 13 175.856 0.057 . 1 . . . . 139 Ala C . 25334 1 702 . 1 1 140 140 ALA CA C 13 50.390 0.032 . 1 . . . . 139 Ala CA . 25334 1 703 . 1 1 140 140 ALA CB C 13 20.183 0.043 . 1 . . . . 139 Ala CB . 25334 1 704 . 1 1 140 140 ALA N N 15 130.789 0.101 . 1 . . . . 139 Ala N . 25334 1 705 . 1 1 141 141 THR C C 13 173.789 0.042 . 1 . . . . 140 Thr C . 25334 1 706 . 1 1 141 141 THR CA C 13 60.690 0.039 . 1 . . . . 140 Thr CA . 25334 1 707 . 1 1 141 141 THR CB C 13 66.886 0.068 . 1 . . . . 140 Thr CB . 25334 1 708 . 1 1 141 141 THR CG2 C 13 21.923 0.051 . 1 . . . . 140 Thr CG2 . 25334 1 709 . 1 1 141 141 THR N N 15 111.791 0.047 . 1 . . . . 140 Thr N . 25334 1 710 . 1 1 142 142 GLY C C 13 169.460 0.043 . 1 . . . . 141 Gly C . 25334 1 711 . 1 1 142 142 GLY CA C 13 44.203 0.040 . 1 . . . . 141 Gly CA . 25334 1 712 . 1 1 142 142 GLY N N 15 110.232 0.047 . 1 . . . . 141 Gly N . 25334 1 713 . 1 1 143 143 ALA C C 13 177.209 0.035 . 1 . . . . 142 Ala C . 25334 1 714 . 1 1 143 143 ALA CA C 13 51.998 0.039 . 1 . . . . 142 Ala CA . 25334 1 715 . 1 1 143 143 ALA CB C 13 17.106 0.052 . 1 . . . . 142 Ala CB . 25334 1 716 . 1 1 143 143 ALA N N 15 121.902 0.075 . 1 . . . . 142 Ala N . 25334 1 717 . 1 1 144 144 ALA C C 13 178.092 0.024 . 1 . . . . 143 Ala C . 25334 1 718 . 1 1 144 144 ALA CA C 13 52.417 0.031 . 1 . . . . 143 Ala CA . 25334 1 719 . 1 1 144 144 ALA CB C 13 21.426 0.038 . 1 . . . . 143 Ala CB . 25334 1 720 . 1 1 144 144 ALA N N 15 130.050 0.095 . 1 . . . . 143 Ala N . 25334 1 721 . 1 1 145 145 THR C C 13 171.315 0.051 . 1 . . . . 144 Thr C . 25334 1 722 . 1 1 145 145 THR CA C 13 58.086 0.042 . 1 . . . . 144 Thr CA . 25334 1 723 . 1 1 145 145 THR CB C 13 68.027 0.084 . 1 . . . . 144 Thr CB . 25334 1 724 . 1 1 145 145 THR CG2 C 13 21.187 0.049 . 1 . . . . 144 Thr CG2 . 25334 1 725 . 1 1 145 145 THR N N 15 110.414 0.050 . 1 . . . . 144 Thr N . 25334 1 726 . 1 1 146 146 PRO C C 13 176.328 0.037 . 1 . . . . 145 Pro C . 25334 1 727 . 1 1 146 146 PRO CA C 13 62.652 0.049 . 1 . . . . 145 Pro CA . 25334 1 728 . 1 1 146 146 PRO CB C 13 33.600 0.044 . 1 . . . . 145 Pro CB . 25334 1 729 . 1 1 146 146 PRO CG C 13 28.321 0.035 . 1 . . . . 145 Pro CG . 25334 1 730 . 1 1 146 146 PRO CD C 13 50.460 0.031 . 1 . . . . 145 Pro CD . 25334 1 731 . 1 1 146 146 PRO N N 15 128.201 0.129 . 1 . . . . 145 Pro N . 25334 1 732 . 1 1 147 147 GLY C C 13 172.388 0.031 . 1 . . . . 146 Gly C . 25334 1 733 . 1 1 147 147 GLY CA C 13 44.403 0.054 . 1 . . . . 146 Gly CA . 25334 1 734 . 1 1 147 147 GLY N N 15 107.627 0.053 . 1 . . . . 146 Gly N . 25334 1 735 . 1 1 148 148 ALA C C 13 177.159 0.039 . 1 . . . . 147 Ala C . 25334 1 736 . 1 1 148 148 ALA CA C 13 54.143 0.028 . 1 . . . . 147 Ala CA . 25334 1 737 . 1 1 148 148 ALA CB C 13 19.220 0.037 . 1 . . . . 147 Ala CB . 25334 1 738 . 1 1 148 148 ALA N N 15 123.117 0.058 . 1 . . . . 147 Ala N . 25334 1 739 . 1 1 149 149 ALA C C 13 173.786 0.029 . 1 . . . . 148 Ala C . 25334 1 740 . 1 1 149 149 ALA CA C 13 51.075 0.024 . 1 . . . . 148 Ala CA . 25334 1 741 . 1 1 149 149 ALA CB C 13 18.068 0.041 . 1 . . . . 148 Ala CB . 25334 1 742 . 1 1 149 149 ALA N N 15 128.058 0.098 . 1 . . . . 148 Ala N . 25334 1 743 . 1 1 150 150 ASN C C 13 173.742 0.019 . 1 . . . . 149 Asn C . 25334 1 744 . 1 1 150 150 ASN CA C 13 51.127 0.028 . 1 . . . . 149 Asn CA . 25334 1 745 . 1 1 150 150 ASN CB C 13 39.823 0.065 . 1 . . . . 149 Asn CB . 25334 1 746 . 1 1 150 150 ASN CG C 13 176.138 0.039 . 1 . . . . 149 Asn CG . 25334 1 747 . 1 1 150 150 ASN N N 15 120.891 0.078 . 1 . . . . 149 Asn N . 25334 1 748 . 1 1 151 151 ALA C C 13 175.566 0.021 . 1 . . . . 150 Ala C . 25334 1 749 . 1 1 151 151 ALA CA C 13 52.187 0.055 . 1 . . . . 150 Ala CA . 25334 1 750 . 1 1 151 151 ALA CB C 13 24.202 0.035 . 1 . . . . 150 Ala CB . 25334 1 751 . 1 1 151 151 ALA N N 15 120.915 0.090 . 1 . . . . 150 Ala N . 25334 1 752 . 1 1 152 152 ASP C C 13 172.761 0.052 . 1 . . . . 151 Asp C . 25334 1 753 . 1 1 152 152 ASP CA C 13 54.161 0.053 . 1 . . . . 151 Asp CA . 25334 1 754 . 1 1 152 152 ASP CB C 13 46.133 0.040 . 1 . . . . 151 Asp CB . 25334 1 755 . 1 1 152 152 ASP CG C 13 180.676 0.038 . 1 . . . . 151 Asp CG . 25334 1 756 . 1 1 152 152 ASP N N 15 118.322 0.076 . 1 . . . . 151 Asp N . 25334 1 757 . 1 1 153 153 ALA C C 13 175.879 0.036 . 1 . . . . 152 Ala C . 25334 1 758 . 1 1 153 153 ALA CA C 13 51.133 0.033 . 1 . . . . 152 Ala CA . 25334 1 759 . 1 1 153 153 ALA CB C 13 23.372 0.031 . 1 . . . . 152 Ala CB . 25334 1 760 . 1 1 153 153 ALA N N 15 122.077 0.073 . 1 . . . . 152 Ala N . 25334 1 761 . 1 1 154 154 THR C C 13 173.843 0.026 . 1 . . . . 153 Thr C . 25334 1 762 . 1 1 154 154 THR CA C 13 60.197 0.036 . 1 . . . . 153 Thr CA . 25334 1 763 . 1 1 154 154 THR CB C 13 71.433 0.035 . 1 . . . . 153 Thr CB . 25334 1 764 . 1 1 154 154 THR N N 15 110.212 0.113 . 1 . . . . 153 Thr N . 25334 1 765 . 1 1 155 155 PHE C C 13 173.587 0.017 . 1 . . . . 154 Phe C . 25334 1 766 . 1 1 155 155 PHE CA C 13 55.402 0.069 . 1 . . . . 154 Phe CA . 25334 1 767 . 1 1 155 155 PHE CB C 13 42.275 0.034 . 1 . . . . 154 Phe CB . 25334 1 768 . 1 1 155 155 PHE CG C 13 139.074 0.064 . 1 . . . . 154 Phe CG . 25334 1 769 . 1 1 155 155 PHE N N 15 114.422 0.111 . 1 . . . . 154 Phe N . 25334 1 770 . 1 1 156 156 LYS C C 13 174.172 0.030 . 1 . . . . 155 Lys C . 25334 1 771 . 1 1 156 156 LYS CA C 13 53.946 0.030 . 1 . . . . 155 Lys CA . 25334 1 772 . 1 1 156 156 LYS CB C 13 35.605 0.052 . 1 . . . . 155 Lys CB . 25334 1 773 . 1 1 156 156 LYS CG C 13 23.099 0.027 . 1 . . . . 155 Lys CG . 25334 1 774 . 1 1 156 156 LYS CD C 13 29.365 0.041 . 1 . . . . 155 Lys CD . 25334 1 775 . 1 1 156 156 LYS CE C 13 41.510 0.047 . 1 . . . . 155 Lys CE . 25334 1 776 . 1 1 156 156 LYS N N 15 119.227 0.055 . 1 . . . . 155 Lys N . 25334 1 777 . 1 1 157 157 VAL C C 13 172.959 0.036 . 1 . . . . 156 Val C . 25334 1 778 . 1 1 157 157 VAL CA C 13 60.968 0.045 . 1 . . . . 156 Val CA . 25334 1 779 . 1 1 157 157 VAL CB C 13 34.322 0.030 . 1 . . . . 156 Val CB . 25334 1 780 . 1 1 157 157 VAL CG1 C 13 20.784 0.026 . 2 . . . . 156 Val CG1 . 25334 1 781 . 1 1 157 157 VAL CG2 C 13 21.027 0.018 . 2 . . . . 156 Val CG2 . 25334 1 782 . 1 1 157 157 VAL N N 15 119.748 0.055 . 1 . . . . 156 Val N . 25334 1 783 . 1 1 158 158 GLN C C 13 173.888 0.018 . 1 . . . . 157 Gln C . 25334 1 784 . 1 1 158 158 GLN CA C 13 53.393 0.022 . 1 . . . . 157 Gln CA . 25334 1 785 . 1 1 158 158 GLN CB C 13 35.145 0.038 . 1 . . . . 157 Gln CB . 25334 1 786 . 1 1 158 158 GLN CG C 13 34.508 0.034 . 1 . . . . 157 Gln CG . 25334 1 787 . 1 1 158 158 GLN N N 15 126.066 0.063 . 1 . . . . 157 Gln N . 25334 1 788 . 1 1 159 159 TYR C C 13 175.865 0.019 . 1 . . . . 158 Tyr C . 25334 1 789 . 1 1 159 159 TYR CA C 13 56.445 0.055 . 1 . . . . 158 Tyr CA . 25334 1 790 . 1 1 159 159 TYR CB C 13 43.822 0.063 . 1 . . . . 158 Tyr CB . 25334 1 791 . 1 1 159 159 TYR CG C 13 130.058 0.058 . 1 . . . . 158 Tyr CG . 25334 1 792 . 1 1 159 159 TYR CE1 C 13 117.861 0.035 . 3 . . . . 158 Tyr CE1 . 25334 1 793 . 1 1 159 159 TYR CE2 C 13 117.861 0.035 . 3 . . . . 158 Tyr CE2 . 25334 1 794 . 1 1 159 159 TYR N N 15 126.332 0.062 . 1 . . . . 158 Tyr N . 25334 1 795 . 1 1 160 160 GLN C C 13 179.264 0.022 . 1 . . . . 159 Gln C . 25334 1 796 . 1 1 160 160 GLN CA C 13 57.671 0.043 . 1 . . . . 159 Gln CA . 25334 1 797 . 1 1 160 160 GLN CB C 13 32.649 0.034 . 1 . . . . 159 Gln CB . 25334 1 798 . 1 1 160 160 GLN CG C 13 34.154 0.024 . 1 . . . . 159 Gln CG . 25334 1 799 . 1 1 160 160 GLN CD C 13 179.925 0.023 . 1 . . . . 159 Gln CD . 25334 1 800 . 1 1 160 160 GLN N N 15 125.776 0.066 . 1 . . . . 159 Gln N . 25334 1 stop_ save_