data_27885 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27885 _Entry.Title ; Backbone 1H, 13C, and 15N chemical shift assignments for the N-terminal domain of Sfr1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-04-27 _Entry.Accession_date 2019-04-27 _Entry.Last_release_date 2019-04-29 _Entry.Original_release_date 2019-04-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'The N-terminal domain of Schizosaccharomyces pombe Swi five-dependent recombination repair protein (sfr1).' _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 Masayoshi Sakakura . . . . 27885 2 Misato Kurihara . . . . 27885 3 Kentaro Ito . . . . 27885 4 Takahisa Maki . . . . 27885 5 Bilge Argunhan . . . . 27885 6 Hiroshi Iwasaki . . . . 27885 7 Hideo Takahashi . . . . 27885 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Functional Structure Biology Laboratory, Graduate School of Medical Life Science, Yokohama City University' . 27885 2 . 'Institute of Innovative Research, Tokyo Institute of Technology' . 27885 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27885 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 515 27885 '15N chemical shifts' 157 27885 '1H chemical shifts' 157 27885 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 . . 2021-07-21 2019-04-27 update BMRB 'update entry citation' 27885 1 . . 2020-03-18 2019-04-27 original author 'original release' 27885 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID NCBI NM_001021563.2 . 27885 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27885 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32204793 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Cooperative interactions facilitate stimulation of Rad51 by the Swi5-Sfr1 auxiliary factor complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Elife _Citation.Journal_name_full eLife _Citation.Journal_volume 9 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2050-084X _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 e52566 _Citation.Page_last e52566 _Citation.Year 2020 _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 Bilge Argunhan B. . . . 27885 1 2 Masayoshi Sakakura M. . . . 27885 1 3 Negar Afshar N. . . . 27885 1 4 Misato Kurihara M. . . . 27885 1 5 Kentaro Ito K. . . . 27885 1 6 Takahisa Maki T. . . . 27885 1 7 Shuji Kanamaru S. . . . 27885 1 8 Yasuto Murayama Y. . . . 27885 1 9 Hideo Tsubouchi H. . . . 27885 1 10 Masayuki Takahashi M. . . . 27885 1 11 Hideo Takahashi H. . . . 27885 1 12 Hiroshi Iwasaki H. . . . 27885 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27885 _Assembly.ID 1 _Assembly.Name Sfr1N _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 19421.66 _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 Sfr1N 1 $Sfr1N A . yes 'intrinsically disordered' no no . . . 27885 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sfr1N _Entity.Sf_category entity _Entity.Sf_framecode Sfr1N _Entity.Entry_ID 27885 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Sfr1N _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 ; MSQTINSELNENATSQCKED LKVSLSESDLRDSQGQLGIE NPPKCNNSGNHSDNLGFIEQ SETVHPENEKALTPDLRDTK IHTSLPITTPFSKKRAREAK NILLKPFKSPLRQTASPQVA DTNLKPSLAVTNLNSDETNT SSEPVTSPLRTTPNSIKRQK RLFKSPISNCLNPKSD ; _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 176 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . MET . 27885 1 2 . SER . 27885 1 3 . GLN . 27885 1 4 . THR . 27885 1 5 . ILE . 27885 1 6 . ASN . 27885 1 7 . SER . 27885 1 8 . GLU . 27885 1 9 . LEU . 27885 1 10 . ASN . 27885 1 11 . GLU . 27885 1 12 . ASN . 27885 1 13 . ALA . 27885 1 14 . THR . 27885 1 15 . SER . 27885 1 16 . GLN . 27885 1 17 . CYS . 27885 1 18 . LYS . 27885 1 19 . GLU . 27885 1 20 . ASP . 27885 1 21 . LEU . 27885 1 22 . LYS . 27885 1 23 . VAL . 27885 1 24 . SER . 27885 1 25 . LEU . 27885 1 26 . SER . 27885 1 27 . GLU . 27885 1 28 . SER . 27885 1 29 . ASP . 27885 1 30 . LEU . 27885 1 31 . ARG . 27885 1 32 . ASP . 27885 1 33 . SER . 27885 1 34 . GLN . 27885 1 35 . GLY . 27885 1 36 . GLN . 27885 1 37 . LEU . 27885 1 38 . GLY . 27885 1 39 . ILE . 27885 1 40 . GLU . 27885 1 41 . ASN . 27885 1 42 . PRO . 27885 1 43 . PRO . 27885 1 44 . LYS . 27885 1 45 . CYS . 27885 1 46 . ASN . 27885 1 47 . ASN . 27885 1 48 . SER . 27885 1 49 . GLY . 27885 1 50 . ASN . 27885 1 51 . HIS . 27885 1 52 . SER . 27885 1 53 . ASP . 27885 1 54 . ASN . 27885 1 55 . LEU . 27885 1 56 . GLY . 27885 1 57 . PHE . 27885 1 58 . ILE . 27885 1 59 . GLU . 27885 1 60 . GLN . 27885 1 61 . SER . 27885 1 62 . GLU . 27885 1 63 . THR . 27885 1 64 . VAL . 27885 1 65 . HIS . 27885 1 66 . PRO . 27885 1 67 . GLU . 27885 1 68 . ASN . 27885 1 69 . GLU . 27885 1 70 . LYS . 27885 1 71 . ALA . 27885 1 72 . LEU . 27885 1 73 . THR . 27885 1 74 . PRO . 27885 1 75 . ASP . 27885 1 76 . LEU . 27885 1 77 . ARG . 27885 1 78 . ASP . 27885 1 79 . THR . 27885 1 80 . LYS . 27885 1 81 . ILE . 27885 1 82 . HIS . 27885 1 83 . THR . 27885 1 84 . SER . 27885 1 85 . LEU . 27885 1 86 . PRO . 27885 1 87 . ILE . 27885 1 88 . THR . 27885 1 89 . THR . 27885 1 90 . PRO . 27885 1 91 . PHE . 27885 1 92 . SER . 27885 1 93 . LYS . 27885 1 94 . LYS . 27885 1 95 . ARG . 27885 1 96 . ALA . 27885 1 97 . ARG . 27885 1 98 . GLU . 27885 1 99 . ALA . 27885 1 100 . LYS . 27885 1 101 . ASN . 27885 1 102 . ILE . 27885 1 103 . LEU . 27885 1 104 . LEU . 27885 1 105 . LYS . 27885 1 106 . PRO . 27885 1 107 . PHE . 27885 1 108 . LYS . 27885 1 109 . SER . 27885 1 110 . PRO . 27885 1 111 . LEU . 27885 1 112 . ARG . 27885 1 113 . GLN . 27885 1 114 . THR . 27885 1 115 . ALA . 27885 1 116 . SER . 27885 1 117 . PRO . 27885 1 118 . GLN . 27885 1 119 . VAL . 27885 1 120 . ALA . 27885 1 121 . ASP . 27885 1 122 . THR . 27885 1 123 . ASN . 27885 1 124 . LEU . 27885 1 125 . LYS . 27885 1 126 . PRO . 27885 1 127 . SER . 27885 1 128 . LEU . 27885 1 129 . ALA . 27885 1 130 . VAL . 27885 1 131 . THR . 27885 1 132 . ASN . 27885 1 133 . LEU . 27885 1 134 . ASN . 27885 1 135 . SER . 27885 1 136 . ASP . 27885 1 137 . GLU . 27885 1 138 . THR . 27885 1 139 . ASN . 27885 1 140 . THR . 27885 1 141 . SER . 27885 1 142 . SER . 27885 1 143 . GLU . 27885 1 144 . PRO . 27885 1 145 . VAL . 27885 1 146 . THR . 27885 1 147 . SER . 27885 1 148 . PRO . 27885 1 149 . LEU . 27885 1 150 . ARG . 27885 1 151 . THR . 27885 1 152 . THR . 27885 1 153 . PRO . 27885 1 154 . ASN . 27885 1 155 . SER . 27885 1 156 . ILE . 27885 1 157 . LYS . 27885 1 158 . ARG . 27885 1 159 . GLN . 27885 1 160 . LYS . 27885 1 161 . ARG . 27885 1 162 . LEU . 27885 1 163 . PHE . 27885 1 164 . LYS . 27885 1 165 . SER . 27885 1 166 . PRO . 27885 1 167 . ILE . 27885 1 168 . SER . 27885 1 169 . ASN . 27885 1 170 . CYS . 27885 1 171 . LEU . 27885 1 172 . ASN . 27885 1 173 . PRO . 27885 1 174 . LYS . 27885 1 175 . SER . 27885 1 176 . ASP . 27885 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 27885 1 . SER 2 2 27885 1 . GLN 3 3 27885 1 . THR 4 4 27885 1 . ILE 5 5 27885 1 . ASN 6 6 27885 1 . SER 7 7 27885 1 . GLU 8 8 27885 1 . LEU 9 9 27885 1 . ASN 10 10 27885 1 . GLU 11 11 27885 1 . ASN 12 12 27885 1 . ALA 13 13 27885 1 . THR 14 14 27885 1 . SER 15 15 27885 1 . GLN 16 16 27885 1 . CYS 17 17 27885 1 . LYS 18 18 27885 1 . GLU 19 19 27885 1 . ASP 20 20 27885 1 . LEU 21 21 27885 1 . LYS 22 22 27885 1 . VAL 23 23 27885 1 . SER 24 24 27885 1 . LEU 25 25 27885 1 . SER 26 26 27885 1 . GLU 27 27 27885 1 . SER 28 28 27885 1 . ASP 29 29 27885 1 . LEU 30 30 27885 1 . ARG 31 31 27885 1 . ASP 32 32 27885 1 . SER 33 33 27885 1 . GLN 34 34 27885 1 . GLY 35 35 27885 1 . GLN 36 36 27885 1 . LEU 37 37 27885 1 . GLY 38 38 27885 1 . ILE 39 39 27885 1 . GLU 40 40 27885 1 . ASN 41 41 27885 1 . PRO 42 42 27885 1 . PRO 43 43 27885 1 . LYS 44 44 27885 1 . CYS 45 45 27885 1 . ASN 46 46 27885 1 . ASN 47 47 27885 1 . SER 48 48 27885 1 . GLY 49 49 27885 1 . ASN 50 50 27885 1 . HIS 51 51 27885 1 . SER 52 52 27885 1 . ASP 53 53 27885 1 . ASN 54 54 27885 1 . LEU 55 55 27885 1 . GLY 56 56 27885 1 . PHE 57 57 27885 1 . ILE 58 58 27885 1 . GLU 59 59 27885 1 . GLN 60 60 27885 1 . SER 61 61 27885 1 . GLU 62 62 27885 1 . THR 63 63 27885 1 . VAL 64 64 27885 1 . HIS 65 65 27885 1 . PRO 66 66 27885 1 . GLU 67 67 27885 1 . ASN 68 68 27885 1 . GLU 69 69 27885 1 . LYS 70 70 27885 1 . ALA 71 71 27885 1 . LEU 72 72 27885 1 . THR 73 73 27885 1 . PRO 74 74 27885 1 . ASP 75 75 27885 1 . LEU 76 76 27885 1 . ARG 77 77 27885 1 . ASP 78 78 27885 1 . THR 79 79 27885 1 . LYS 80 80 27885 1 . ILE 81 81 27885 1 . HIS 82 82 27885 1 . THR 83 83 27885 1 . SER 84 84 27885 1 . LEU 85 85 27885 1 . PRO 86 86 27885 1 . ILE 87 87 27885 1 . THR 88 88 27885 1 . THR 89 89 27885 1 . PRO 90 90 27885 1 . PHE 91 91 27885 1 . SER 92 92 27885 1 . LYS 93 93 27885 1 . LYS 94 94 27885 1 . ARG 95 95 27885 1 . ALA 96 96 27885 1 . ARG 97 97 27885 1 . GLU 98 98 27885 1 . ALA 99 99 27885 1 . LYS 100 100 27885 1 . ASN 101 101 27885 1 . ILE 102 102 27885 1 . LEU 103 103 27885 1 . LEU 104 104 27885 1 . LYS 105 105 27885 1 . PRO 106 106 27885 1 . PHE 107 107 27885 1 . LYS 108 108 27885 1 . SER 109 109 27885 1 . PRO 110 110 27885 1 . LEU 111 111 27885 1 . ARG 112 112 27885 1 . GLN 113 113 27885 1 . THR 114 114 27885 1 . ALA 115 115 27885 1 . SER 116 116 27885 1 . PRO 117 117 27885 1 . GLN 118 118 27885 1 . VAL 119 119 27885 1 . ALA 120 120 27885 1 . ASP 121 121 27885 1 . THR 122 122 27885 1 . ASN 123 123 27885 1 . LEU 124 124 27885 1 . LYS 125 125 27885 1 . PRO 126 126 27885 1 . SER 127 127 27885 1 . LEU 128 128 27885 1 . ALA 129 129 27885 1 . VAL 130 130 27885 1 . THR 131 131 27885 1 . ASN 132 132 27885 1 . LEU 133 133 27885 1 . ASN 134 134 27885 1 . SER 135 135 27885 1 . ASP 136 136 27885 1 . GLU 137 137 27885 1 . THR 138 138 27885 1 . ASN 139 139 27885 1 . THR 140 140 27885 1 . SER 141 141 27885 1 . SER 142 142 27885 1 . GLU 143 143 27885 1 . PRO 144 144 27885 1 . VAL 145 145 27885 1 . THR 146 146 27885 1 . SER 147 147 27885 1 . PRO 148 148 27885 1 . LEU 149 149 27885 1 . ARG 150 150 27885 1 . THR 151 151 27885 1 . THR 152 152 27885 1 . PRO 153 153 27885 1 . ASN 154 154 27885 1 . SER 155 155 27885 1 . ILE 156 156 27885 1 . LYS 157 157 27885 1 . ARG 158 158 27885 1 . GLN 159 159 27885 1 . LYS 160 160 27885 1 . ARG 161 161 27885 1 . LEU 162 162 27885 1 . PHE 163 163 27885 1 . LYS 164 164 27885 1 . SER 165 165 27885 1 . PRO 166 166 27885 1 . ILE 167 167 27885 1 . SER 168 168 27885 1 . ASN 169 169 27885 1 . CYS 170 170 27885 1 . LEU 171 171 27885 1 . ASN 172 172 27885 1 . PRO 173 173 27885 1 . LYS 174 174 27885 1 . SER 175 175 27885 1 . ASP 176 176 27885 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 27885 _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 $Sfr1N . 4896 organism . 'Schizosaccharomyces pombe' 'fission yeast' . . Eukaryota Fungi Schizosaccharomyces pombe . . . . . . . . . . . . . 27885 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 27885 _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 $Sfr1N . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)RIPL . . . . . pBKN220 . . . 27885 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27885 _Sample.ID 1 _Sample.Name . _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 Sfr1N '[U-13C; U-15N]' . . 1 $Sfr1N . . 0.175 0.15 0.20 mM . . . . 27885 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27885 1 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 27885 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27885 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27885 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 27885 1 pH 6 . pH 27885 1 pressure 1 . atm 27885 1 temperature 298 . K 27885 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27885 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27885 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 27885 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27885 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 2012.090.12.09 _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' . . 27885 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27885 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27885 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version 3.134 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27885 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27885 3 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 27885 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 27885 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 . 800 . . . 27885 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 27885 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27885 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27885 1 3 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27885 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27885 1 5 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27885 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27885 1 7 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27885 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 27885 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 'separate tube (no insert) not similar to the experimental sample tube' . . . . 27885 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) not similar to the experimental sample tube' . . . . 27885 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) not similar to the experimental sample tube' . . . . 27885 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 27885 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 27885 1 2 '3D HNCA' . . . 27885 1 3 '3D HN(CO)CA' . . . 27885 1 4 '3D HNCACB' . . . 27885 1 5 '3D HN(CO)CACB' . . . 27885 1 6 '3D HNCO' . . . 27885 1 7 '3D HN(CA)CO' . . . 27885 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 GLN C C 13 175.923 0.188 . 1 . . . . . 3 GLN C . 27885 1 2 . 1 . 1 3 3 GLN CA C 13 55.951 0.188 . 1 . . . . . 3 GLN CA . 27885 1 3 . 1 . 1 3 3 GLN CB C 13 29.548 0.234 . 1 . . . . . 3 GLN CB . 27885 1 4 . 1 . 1 4 4 THR H H 1 8.391 0.003 . 1 . . . . . 4 THR H . 27885 1 5 . 1 . 1 4 4 THR C C 13 174.534 0.188 . 1 . . . . . 4 THR C . 27885 1 6 . 1 . 1 4 4 THR CA C 13 62.066 0.188 . 1 . . . . . 4 THR CA . 27885 1 7 . 1 . 1 4 4 THR CB C 13 69.926 0.234 . 1 . . . . . 4 THR CB . 27885 1 8 . 1 . 1 4 4 THR N N 15 117.210 0.047 . 1 . . . . . 4 THR N . 27885 1 9 . 1 . 1 5 5 ILE H H 1 8.291 0.003 . 1 . . . . . 5 ILE H . 27885 1 10 . 1 . 1 5 5 ILE C C 13 175.793 0.188 . 1 . . . . . 5 ILE C . 27885 1 11 . 1 . 1 5 5 ILE CA C 13 61.087 0.188 . 1 . . . . . 5 ILE CA . 27885 1 12 . 1 . 1 5 5 ILE CB C 13 38.841 0.234 . 1 . . . . . 5 ILE CB . 27885 1 13 . 1 . 1 5 5 ILE N N 15 123.665 0.047 . 1 . . . . . 5 ILE N . 27885 1 14 . 1 . 1 6 6 ASN H H 1 8.561 0.003 . 1 . . . . . 6 ASN H . 27885 1 15 . 1 . 1 6 6 ASN C C 13 175.363 0.188 . 1 . . . . . 6 ASN C . 27885 1 16 . 1 . 1 6 6 ASN CA C 13 53.366 0.188 . 1 . . . . . 6 ASN CA . 27885 1 17 . 1 . 1 6 6 ASN CB C 13 38.829 0.234 . 1 . . . . . 6 ASN CB . 27885 1 18 . 1 . 1 6 6 ASN N N 15 123.171 0.047 . 1 . . . . . 6 ASN N . 27885 1 19 . 1 . 1 7 7 SER H H 1 8.354 0.003 . 1 . . . . . 7 SER H . 27885 1 20 . 1 . 1 7 7 SER C C 13 174.621 0.188 . 1 . . . . . 7 SER C . 27885 1 21 . 1 . 1 7 7 SER CA C 13 58.872 0.188 . 1 . . . . . 7 SER CA . 27885 1 22 . 1 . 1 7 7 SER CB C 13 63.895 0.234 . 1 . . . . . 7 SER CB . 27885 1 23 . 1 . 1 7 7 SER N N 15 117.061 0.047 . 1 . . . . . 7 SER N . 27885 1 24 . 1 . 1 8 8 GLU H H 1 8.478 0.003 . 1 . . . . . 8 GLU H . 27885 1 25 . 1 . 1 8 8 GLU C C 13 176.531 0.188 . 1 . . . . . 8 GLU C . 27885 1 26 . 1 . 1 8 8 GLU CA C 13 56.863 0.188 . 1 . . . . . 8 GLU CA . 27885 1 27 . 1 . 1 8 8 GLU CB C 13 29.922 0.234 . 1 . . . . . 8 GLU CB . 27885 1 28 . 1 . 1 8 8 GLU N N 15 122.494 0.047 . 1 . . . . . 8 GLU N . 27885 1 29 . 1 . 1 9 9 LEU H H 1 8.088 0.003 . 1 . . . . . 9 LEU H . 27885 1 30 . 1 . 1 9 9 LEU C C 13 177.026 0.188 . 1 . . . . . 9 LEU C . 27885 1 31 . 1 . 1 9 9 LEU CA C 13 55.306 0.188 . 1 . . . . . 9 LEU CA . 27885 1 32 . 1 . 1 9 9 LEU CB C 13 42.257 0.234 . 1 . . . . . 9 LEU CB . 27885 1 33 . 1 . 1 9 9 LEU N N 15 121.994 0.047 . 1 . . . . . 9 LEU N . 27885 1 34 . 1 . 1 10 10 ASN H H 1 8.333 0.003 . 1 . . . . . 10 ASN H . 27885 1 35 . 1 . 1 10 10 ASN C C 13 175.427 0.188 . 1 . . . . . 10 ASN C . 27885 1 36 . 1 . 1 10 10 ASN CA C 13 53.271 0.188 . 1 . . . . . 10 ASN CA . 27885 1 37 . 1 . 1 10 10 ASN CB C 13 38.951 0.234 . 1 . . . . . 10 ASN CB . 27885 1 38 . 1 . 1 10 10 ASN N N 15 119.492 0.047 . 1 . . . . . 10 ASN N . 27885 1 39 . 1 . 1 11 11 GLU H H 1 8.501 0.003 . 1 . . . . . 11 GLU H . 27885 1 40 . 1 . 1 11 11 GLU C C 13 176.419 0.188 . 1 . . . . . 11 GLU C . 27885 1 41 . 1 . 1 11 11 GLU CA C 13 57.171 0.188 . 1 . . . . . 11 GLU CA . 27885 1 42 . 1 . 1 11 11 GLU CB C 13 30.028 0.234 . 1 . . . . . 11 GLU CB . 27885 1 43 . 1 . 1 11 11 GLU N N 15 121.650 0.047 . 1 . . . . . 11 GLU N . 27885 1 44 . 1 . 1 12 12 ASN H H 1 8.423 0.003 . 1 . . . . . 12 ASN H . 27885 1 45 . 1 . 1 12 12 ASN C C 13 175.210 0.188 . 1 . . . . . 12 ASN C . 27885 1 46 . 1 . 1 12 12 ASN CA C 13 53.442 0.188 . 1 . . . . . 12 ASN CA . 27885 1 47 . 1 . 1 12 12 ASN CB C 13 38.865 0.234 . 1 . . . . . 12 ASN CB . 27885 1 48 . 1 . 1 12 12 ASN N N 15 118.892 0.047 . 1 . . . . . 12 ASN N . 27885 1 49 . 1 . 1 13 13 ALA H H 1 8.170 0.003 . 1 . . . . . 13 ALA H . 27885 1 50 . 1 . 1 13 13 ALA C C 13 178.208 0.188 . 1 . . . . . 13 ALA C . 27885 1 51 . 1 . 1 13 13 ALA CA C 13 53.108 0.188 . 1 . . . . . 13 ALA CA . 27885 1 52 . 1 . 1 13 13 ALA CB C 13 19.201 0.234 . 1 . . . . . 13 ALA CB . 27885 1 53 . 1 . 1 13 13 ALA N N 15 124.021 0.047 . 1 . . . . . 13 ALA N . 27885 1 54 . 1 . 1 14 14 THR H H 1 8.118 0.003 . 1 . . . . . 14 THR H . 27885 1 55 . 1 . 1 14 14 THR C C 13 174.919 0.188 . 1 . . . . . 14 THR C . 27885 1 56 . 1 . 1 14 14 THR CA C 13 62.091 0.188 . 1 . . . . . 14 THR CA . 27885 1 57 . 1 . 1 14 14 THR CB C 13 69.821 0.234 . 1 . . . . . 14 THR CB . 27885 1 58 . 1 . 1 14 14 THR N N 15 112.378 0.047 . 1 . . . . . 14 THR N . 27885 1 59 . 1 . 1 15 15 SER H H 1 8.228 0.003 . 1 . . . . . 15 SER H . 27885 1 60 . 1 . 1 15 15 SER C C 13 174.607 0.188 . 1 . . . . . 15 SER C . 27885 1 61 . 1 . 1 15 15 SER CA C 13 58.618 0.188 . 1 . . . . . 15 SER CA . 27885 1 62 . 1 . 1 15 15 SER CB C 13 63.872 0.234 . 1 . . . . . 15 SER CB . 27885 1 63 . 1 . 1 15 15 SER N N 15 117.664 0.047 . 1 . . . . . 15 SER N . 27885 1 64 . 1 . 1 16 16 GLN H H 1 8.375 0.003 . 1 . . . . . 16 GLN H . 27885 1 65 . 1 . 1 16 16 GLN C C 13 175.891 0.188 . 1 . . . . . 16 GLN C . 27885 1 66 . 1 . 1 16 16 GLN CA C 13 55.992 0.188 . 1 . . . . . 16 GLN CA . 27885 1 67 . 1 . 1 16 16 GLN CB C 13 29.428 0.234 . 1 . . . . . 16 GLN CB . 27885 1 68 . 1 . 1 16 16 GLN N N 15 122.022 0.047 . 1 . . . . . 16 GLN N . 27885 1 69 . 1 . 1 17 17 CYS H H 1 8.390 0.003 . 1 . . . . . 17 CYS H . 27885 1 70 . 1 . 1 17 17 CYS C C 13 174.752 0.188 . 1 . . . . . 17 CYS C . 27885 1 71 . 1 . 1 17 17 CYS CA C 13 58.620 0.188 . 1 . . . . . 17 CYS CA . 27885 1 72 . 1 . 1 17 17 CYS CB C 13 27.853 0.234 . 1 . . . . . 17 CYS CB . 27885 1 73 . 1 . 1 17 17 CYS N N 15 120.622 0.047 . 1 . . . . . 17 CYS N . 27885 1 74 . 1 . 1 18 18 LYS H H 1 8.476 0.003 . 1 . . . . . 18 LYS H . 27885 1 75 . 1 . 1 18 18 LYS C C 13 176.712 0.188 . 1 . . . . . 18 LYS C . 27885 1 76 . 1 . 1 18 18 LYS CA C 13 56.749 0.188 . 1 . . . . . 18 LYS CA . 27885 1 77 . 1 . 1 18 18 LYS CB C 13 32.898 0.234 . 1 . . . . . 18 LYS CB . 27885 1 78 . 1 . 1 18 18 LYS N N 15 124.377 0.047 . 1 . . . . . 18 LYS N . 27885 1 79 . 1 . 1 19 19 GLU H H 1 8.436 0.003 . 1 . . . . . 19 GLU H . 27885 1 80 . 1 . 1 19 19 GLU C C 13 176.175 0.188 . 1 . . . . . 19 GLU C . 27885 1 81 . 1 . 1 19 19 GLU CA C 13 56.944 0.188 . 1 . . . . . 19 GLU CA . 27885 1 82 . 1 . 1 19 19 GLU CB C 13 30.211 0.234 . 1 . . . . . 19 GLU CB . 27885 1 83 . 1 . 1 19 19 GLU N N 15 121.842 0.047 . 1 . . . . . 19 GLU N . 27885 1 84 . 1 . 1 20 20 ASP H H 1 8.317 0.003 . 1 . . . . . 20 ASP H . 27885 1 85 . 1 . 1 20 20 ASP C C 13 176.217 0.188 . 1 . . . . . 20 ASP C . 27885 1 86 . 1 . 1 20 20 ASP CA C 13 54.418 0.188 . 1 . . . . . 20 ASP CA . 27885 1 87 . 1 . 1 20 20 ASP CB C 13 41.041 0.234 . 1 . . . . . 20 ASP CB . 27885 1 88 . 1 . 1 20 20 ASP N N 15 121.445 0.047 . 1 . . . . . 20 ASP N . 27885 1 89 . 1 . 1 21 21 LEU H H 1 8.071 0.003 . 1 . . . . . 21 LEU H . 27885 1 90 . 1 . 1 21 21 LEU C C 13 177.361 0.188 . 1 . . . . . 21 LEU C . 27885 1 91 . 1 . 1 21 21 LEU CA C 13 55.334 0.188 . 1 . . . . . 21 LEU CA . 27885 1 92 . 1 . 1 21 21 LEU CB C 13 42.222 0.234 . 1 . . . . . 21 LEU CB . 27885 1 93 . 1 . 1 21 21 LEU N N 15 122.611 0.047 . 1 . . . . . 21 LEU N . 27885 1 94 . 1 . 1 22 22 LYS H H 1 8.254 0.003 . 1 . . . . . 22 LYS H . 27885 1 95 . 1 . 1 22 22 LYS C C 13 176.666 0.188 . 1 . . . . . 22 LYS C . 27885 1 96 . 1 . 1 22 22 LYS CA C 13 56.451 0.188 . 1 . . . . . 22 LYS CA . 27885 1 97 . 1 . 1 22 22 LYS CB C 13 32.668 0.234 . 1 . . . . . 22 LYS CB . 27885 1 98 . 1 . 1 22 22 LYS N N 15 122.144 0.047 . 1 . . . . . 22 LYS N . 27885 1 99 . 1 . 1 23 23 VAL H H 1 8.034 0.003 . 1 . . . . . 23 VAL H . 27885 1 100 . 1 . 1 23 23 VAL C C 13 176.223 0.188 . 1 . . . . . 23 VAL C . 27885 1 101 . 1 . 1 23 23 VAL CA C 13 62.312 0.188 . 1 . . . . . 23 VAL CA . 27885 1 102 . 1 . 1 23 23 VAL CB C 13 32.953 0.234 . 1 . . . . . 23 VAL CB . 27885 1 103 . 1 . 1 23 23 VAL N N 15 120.865 0.047 . 1 . . . . . 23 VAL N . 27885 1 104 . 1 . 1 24 24 SER H H 1 8.380 0.003 . 1 . . . . . 24 SER H . 27885 1 105 . 1 . 1 24 24 SER C C 13 174.496 0.188 . 1 . . . . . 24 SER C . 27885 1 106 . 1 . 1 24 24 SER CA C 13 58.126 0.188 . 1 . . . . . 24 SER CA . 27885 1 107 . 1 . 1 24 24 SER CB C 13 63.918 0.234 . 1 . . . . . 24 SER CB . 27885 1 108 . 1 . 1 24 24 SER N N 15 119.581 0.047 . 1 . . . . . 24 SER N . 27885 1 109 . 1 . 1 25 25 LEU H H 1 8.351 0.003 . 1 . . . . . 25 LEU H . 27885 1 110 . 1 . 1 25 25 LEU C C 13 177.482 0.188 . 1 . . . . . 25 LEU C . 27885 1 111 . 1 . 1 25 25 LEU CA C 13 55.287 0.188 . 1 . . . . . 25 LEU CA . 27885 1 112 . 1 . 1 25 25 LEU CB C 13 42.505 0.234 . 1 . . . . . 25 LEU CB . 27885 1 113 . 1 . 1 25 25 LEU N N 15 124.790 0.047 . 1 . . . . . 25 LEU N . 27885 1 114 . 1 . 1 26 26 SER H H 1 8.455 0.003 . 1 . . . . . 26 SER H . 27885 1 115 . 1 . 1 26 26 SER C C 13 174.873 0.188 . 1 . . . . . 26 SER C . 27885 1 116 . 1 . 1 26 26 SER CA C 13 58.297 0.188 . 1 . . . . . 26 SER CA . 27885 1 117 . 1 . 1 26 26 SER CB C 13 64.138 0.234 . 1 . . . . . 26 SER CB . 27885 1 118 . 1 . 1 26 26 SER N N 15 116.751 0.047 . 1 . . . . . 26 SER N . 27885 1 119 . 1 . 1 27 27 GLU H H 1 8.526 0.003 . 1 . . . . . 27 GLU H . 27885 1 120 . 1 . 1 27 27 GLU C C 13 177.229 0.188 . 1 . . . . . 27 GLU C . 27885 1 121 . 1 . 1 27 27 GLU CA C 13 57.593 0.188 . 1 . . . . . 27 GLU CA . 27885 1 122 . 1 . 1 27 27 GLU CB C 13 29.958 0.234 . 1 . . . . . 27 GLU CB . 27885 1 123 . 1 . 1 27 27 GLU N N 15 122.644 0.047 . 1 . . . . . 27 GLU N . 27885 1 124 . 1 . 1 28 28 SER H H 1 8.233 0.003 . 1 . . . . . 28 SER H . 27885 1 125 . 1 . 1 28 28 SER C C 13 174.690 0.188 . 1 . . . . . 28 SER C . 27885 1 126 . 1 . 1 28 28 SER CA C 13 59.310 0.188 . 1 . . . . . 28 SER CA . 27885 1 127 . 1 . 1 28 28 SER CB C 13 63.693 0.234 . 1 . . . . . 28 SER CB . 27885 1 128 . 1 . 1 28 28 SER N N 15 115.380 0.047 . 1 . . . . . 28 SER N . 27885 1 129 . 1 . 1 29 29 ASP H H 1 8.185 0.003 . 1 . . . . . 29 ASP H . 27885 1 130 . 1 . 1 29 29 ASP C C 13 176.745 0.188 . 1 . . . . . 29 ASP C . 27885 1 131 . 1 . 1 29 29 ASP CA C 13 54.977 0.188 . 1 . . . . . 29 ASP CA . 27885 1 132 . 1 . 1 29 29 ASP CB C 13 41.141 0.234 . 1 . . . . . 29 ASP CB . 27885 1 133 . 1 . 1 29 29 ASP N N 15 122.358 0.047 . 1 . . . . . 29 ASP N . 27885 1 134 . 1 . 1 30 30 LEU H H 1 8.077 0.003 . 1 . . . . . 30 LEU H . 27885 1 135 . 1 . 1 30 30 LEU C C 13 177.901 0.188 . 1 . . . . . 30 LEU C . 27885 1 136 . 1 . 1 30 30 LEU CA C 13 55.740 0.188 . 1 . . . . . 30 LEU CA . 27885 1 137 . 1 . 1 30 30 LEU CB C 13 41.971 0.234 . 1 . . . . . 30 LEU CB . 27885 1 138 . 1 . 1 30 30 LEU N N 15 122.052 0.047 . 1 . . . . . 30 LEU N . 27885 1 139 . 1 . 1 31 31 ARG H H 1 8.148 0.003 . 1 . . . . . 31 ARG H . 27885 1 140 . 1 . 1 31 31 ARG C C 13 176.767 0.188 . 1 . . . . . 31 ARG C . 27885 1 141 . 1 . 1 31 31 ARG CA C 13 56.905 0.188 . 1 . . . . . 31 ARG CA . 27885 1 142 . 1 . 1 31 31 ARG CB C 13 30.608 0.234 . 1 . . . . . 31 ARG CB . 27885 1 143 . 1 . 1 31 31 ARG N N 15 120.818 0.047 . 1 . . . . . 31 ARG N . 27885 1 144 . 1 . 1 32 32 ASP H H 1 8.292 0.003 . 1 . . . . . 32 ASP H . 27885 1 145 . 1 . 1 32 32 ASP C C 13 176.836 0.188 . 1 . . . . . 32 ASP C . 27885 1 146 . 1 . 1 32 32 ASP CA C 13 54.702 0.188 . 1 . . . . . 32 ASP CA . 27885 1 147 . 1 . 1 32 32 ASP CB C 13 41.079 0.234 . 1 . . . . . 32 ASP CB . 27885 1 148 . 1 . 1 32 32 ASP N N 15 120.408 0.047 . 1 . . . . . 32 ASP N . 27885 1 149 . 1 . 1 33 33 SER H H 1 8.208 0.003 . 1 . . . . . 33 SER H . 27885 1 150 . 1 . 1 33 33 SER C C 13 175.149 0.188 . 1 . . . . . 33 SER C . 27885 1 151 . 1 . 1 33 33 SER CA C 13 59.138 0.188 . 1 . . . . . 33 SER CA . 27885 1 152 . 1 . 1 33 33 SER CB C 13 63.821 0.234 . 1 . . . . . 33 SER CB . 27885 1 153 . 1 . 1 33 33 SER N N 15 115.873 0.047 . 1 . . . . . 33 SER N . 27885 1 154 . 1 . 1 34 34 GLN H H 1 8.340 0.003 . 1 . . . . . 34 GLN H . 27885 1 155 . 1 . 1 34 34 GLN C C 13 176.799 0.188 . 1 . . . . . 34 GLN C . 27885 1 156 . 1 . 1 34 34 GLN CA C 13 56.384 0.188 . 1 . . . . . 34 GLN CA . 27885 1 157 . 1 . 1 34 34 GLN CB C 13 29.081 0.234 . 1 . . . . . 34 GLN CB . 27885 1 158 . 1 . 1 34 34 GLN N N 15 121.285 0.047 . 1 . . . . . 34 GLN N . 27885 1 159 . 1 . 1 35 35 GLY H H 1 8.317 0.003 . 1 . . . . . 35 GLY H . 27885 1 160 . 1 . 1 35 35 GLY C C 13 174.300 0.188 . 1 . . . . . 35 GLY C . 27885 1 161 . 1 . 1 35 35 GLY CA C 13 45.594 0.188 . 1 . . . . . 35 GLY CA . 27885 1 162 . 1 . 1 35 35 GLY N N 15 109.083 0.047 . 1 . . . . . 35 GLY N . 27885 1 163 . 1 . 1 36 36 GLN H H 1 8.227 0.003 . 1 . . . . . 36 GLN H . 27885 1 164 . 1 . 1 36 36 GLN C C 13 176.147 0.188 . 1 . . . . . 36 GLN C . 27885 1 165 . 1 . 1 36 36 GLN CA C 13 55.838 0.188 . 1 . . . . . 36 GLN CA . 27885 1 166 . 1 . 1 36 36 GLN CB C 13 29.328 0.234 . 1 . . . . . 36 GLN CB . 27885 1 167 . 1 . 1 36 36 GLN N N 15 119.723 0.047 . 1 . . . . . 36 GLN N . 27885 1 168 . 1 . 1 37 37 LEU H H 1 8.300 0.003 . 1 . . . . . 37 LEU H . 27885 1 169 . 1 . 1 37 37 LEU C C 13 177.952 0.188 . 1 . . . . . 37 LEU C . 27885 1 170 . 1 . 1 37 37 LEU CA C 13 55.480 0.188 . 1 . . . . . 37 LEU CA . 27885 1 171 . 1 . 1 37 37 LEU CB C 13 42.425 0.234 . 1 . . . . . 37 LEU CB . 27885 1 172 . 1 . 1 37 37 LEU N N 15 122.866 0.047 . 1 . . . . . 37 LEU N . 27885 1 173 . 1 . 1 38 38 GLY H H 1 8.408 0.003 . 1 . . . . . 38 GLY H . 27885 1 174 . 1 . 1 38 38 GLY C C 13 174.076 0.188 . 1 . . . . . 38 GLY C . 27885 1 175 . 1 . 1 38 38 GLY CA C 13 45.475 0.188 . 1 . . . . . 38 GLY CA . 27885 1 176 . 1 . 1 38 38 GLY N N 15 109.650 0.047 . 1 . . . . . 38 GLY N . 27885 1 177 . 1 . 1 39 39 ILE H H 1 7.827 0.003 . 1 . . . . . 39 ILE H . 27885 1 178 . 1 . 1 39 39 ILE C C 13 176.150 0.188 . 1 . . . . . 39 ILE C . 27885 1 179 . 1 . 1 39 39 ILE CA C 13 61.031 0.188 . 1 . . . . . 39 ILE CA . 27885 1 180 . 1 . 1 39 39 ILE CB C 13 38.847 0.234 . 1 . . . . . 39 ILE CB . 27885 1 181 . 1 . 1 39 39 ILE N N 15 119.259 0.047 . 1 . . . . . 39 ILE N . 27885 1 182 . 1 . 1 40 40 GLU H H 1 8.483 0.003 . 1 . . . . . 40 GLU H . 27885 1 183 . 1 . 1 40 40 GLU C C 13 175.877 0.188 . 1 . . . . . 40 GLU C . 27885 1 184 . 1 . 1 40 40 GLU CA C 13 56.522 0.188 . 1 . . . . . 40 GLU CA . 27885 1 185 . 1 . 1 40 40 GLU CB C 13 30.308 0.234 . 1 . . . . . 40 GLU CB . 27885 1 186 . 1 . 1 40 40 GLU N N 15 124.379 0.047 . 1 . . . . . 40 GLU N . 27885 1 187 . 1 . 1 41 41 ASN H H 1 8.469 0.003 . 1 . . . . . 41 ASN H . 27885 1 188 . 1 . 1 41 41 ASN C C 13 172.295 0.188 . 1 . . . . . 41 ASN C . 27885 1 189 . 1 . 1 41 41 ASN CA C 13 51.460 0.188 . 1 . . . . . 41 ASN CA . 27885 1 190 . 1 . 1 41 41 ASN CB C 13 38.806 0.234 . 1 . . . . . 41 ASN CB . 27885 1 191 . 1 . 1 41 41 ASN N N 15 120.581 0.047 . 1 . . . . . 41 ASN N . 27885 1 192 . 1 . 1 43 43 PRO C C 13 176.971 0.188 . 1 . . . . . 43 PRO C . 27885 1 193 . 1 . 1 43 43 PRO CA C 13 62.919 0.188 . 1 . . . . . 43 PRO CA . 27885 1 194 . 1 . 1 43 43 PRO CB C 13 32.028 0.234 . 1 . . . . . 43 PRO CB . 27885 1 195 . 1 . 1 44 44 LYS H H 1 8.429 0.003 . 1 . . . . . 44 LYS H . 27885 1 196 . 1 . 1 44 44 LYS C C 13 176.611 0.188 . 1 . . . . . 44 LYS C . 27885 1 197 . 1 . 1 44 44 LYS CA C 13 56.294 0.188 . 1 . . . . . 44 LYS CA . 27885 1 198 . 1 . 1 44 44 LYS CB C 13 33.003 0.234 . 1 . . . . . 44 LYS CB . 27885 1 199 . 1 . 1 44 44 LYS N N 15 121.547 0.047 . 1 . . . . . 44 LYS N . 27885 1 200 . 1 . 1 45 45 CYS H H 1 8.394 0.003 . 1 . . . . . 45 CYS H . 27885 1 201 . 1 . 1 45 45 CYS C C 13 174.252 0.188 . 1 . . . . . 45 CYS C . 27885 1 202 . 1 . 1 45 45 CYS CA C 13 58.236 0.188 . 1 . . . . . 45 CYS CA . 27885 1 203 . 1 . 1 45 45 CYS CB C 13 28.122 0.234 . 1 . . . . . 45 CYS CB . 27885 1 204 . 1 . 1 45 45 CYS N N 15 120.321 0.047 . 1 . . . . . 45 CYS N . 27885 1 205 . 1 . 1 46 46 ASN H H 1 8.604 0.003 . 1 . . . . . 46 ASN H . 27885 1 206 . 1 . 1 46 46 ASN C C 13 174.991 0.188 . 1 . . . . . 46 ASN C . 27885 1 207 . 1 . 1 46 46 ASN CA C 13 53.310 0.188 . 1 . . . . . 46 ASN CA . 27885 1 208 . 1 . 1 46 46 ASN CB C 13 38.837 0.234 . 1 . . . . . 46 ASN CB . 27885 1 209 . 1 . 1 46 46 ASN N N 15 121.775 0.047 . 1 . . . . . 46 ASN N . 27885 1 210 . 1 . 1 47 47 ASN H H 1 8.450 0.003 . 1 . . . . . 47 ASN H . 27885 1 211 . 1 . 1 47 47 ASN C C 13 175.410 0.188 . 1 . . . . . 47 ASN C . 27885 1 212 . 1 . 1 47 47 ASN CA C 13 53.336 0.188 . 1 . . . . . 47 ASN CA . 27885 1 213 . 1 . 1 47 47 ASN CB C 13 38.867 0.234 . 1 . . . . . 47 ASN CB . 27885 1 214 . 1 . 1 47 47 ASN N N 15 119.818 0.047 . 1 . . . . . 47 ASN N . 27885 1 215 . 1 . 1 48 48 SER H H 1 8.354 0.003 . 1 . . . . . 48 SER H . 27885 1 216 . 1 . 1 48 48 SER C C 13 175.075 0.188 . 1 . . . . . 48 SER C . 27885 1 217 . 1 . 1 48 48 SER CA C 13 58.903 0.188 . 1 . . . . . 48 SER CA . 27885 1 218 . 1 . 1 48 48 SER CB C 13 63.924 0.234 . 1 . . . . . 48 SER CB . 27885 1 219 . 1 . 1 48 48 SER N N 15 116.211 0.047 . 1 . . . . . 48 SER N . 27885 1 220 . 1 . 1 49 49 GLY H H 1 8.417 0.003 . 1 . . . . . 49 GLY H . 27885 1 221 . 1 . 1 49 49 GLY C C 13 173.799 0.188 . 1 . . . . . 49 GLY C . 27885 1 222 . 1 . 1 49 49 GLY CA C 13 45.347 0.188 . 1 . . . . . 49 GLY CA . 27885 1 223 . 1 . 1 49 49 GLY N N 15 110.394 0.047 . 1 . . . . . 49 GLY N . 27885 1 224 . 1 . 1 50 50 ASN H H 1 8.228 0.003 . 1 . . . . . 50 ASN H . 27885 1 225 . 1 . 1 50 50 ASN C C 13 175.160 0.188 . 1 . . . . . 50 ASN C . 27885 1 226 . 1 . 1 50 50 ASN CA C 13 53.131 0.188 . 1 . . . . . 50 ASN CA . 27885 1 227 . 1 . 1 50 50 ASN CB C 13 38.830 0.234 . 1 . . . . . 50 ASN CB . 27885 1 228 . 1 . 1 50 50 ASN N N 15 118.463 0.047 . 1 . . . . . 50 ASN N . 27885 1 229 . 1 . 1 51 51 HIS C C 13 174.932 0.188 . 1 . . . . . 51 HIS C . 27885 1 230 . 1 . 1 51 51 HIS CA C 13 55.796 0.188 . 1 . . . . . 51 HIS CA . 27885 1 231 . 1 . 1 51 51 HIS CB C 13 29.426 0.234 . 1 . . . . . 51 HIS CB . 27885 1 232 . 1 . 1 52 52 SER H H 1 8.311 0.003 . 1 . . . . . 52 SER H . 27885 1 233 . 1 . 1 52 52 SER C C 13 174.220 0.188 . 1 . . . . . 52 SER C . 27885 1 234 . 1 . 1 52 52 SER CA C 13 58.608 0.188 . 1 . . . . . 52 SER CA . 27885 1 235 . 1 . 1 52 52 SER CB C 13 63.989 0.234 . 1 . . . . . 52 SER CB . 27885 1 236 . 1 . 1 52 52 SER N N 15 116.787 0.047 . 1 . . . . . 52 SER N . 27885 1 237 . 1 . 1 53 53 ASP H H 1 8.428 0.003 . 1 . . . . . 53 ASP H . 27885 1 238 . 1 . 1 53 53 ASP C C 13 176.004 0.188 . 1 . . . . . 53 ASP C . 27885 1 239 . 1 . 1 53 53 ASP CA C 13 54.492 0.188 . 1 . . . . . 53 ASP CA . 27885 1 240 . 1 . 1 53 53 ASP CB C 13 41.142 0.234 . 1 . . . . . 53 ASP CB . 27885 1 241 . 1 . 1 53 53 ASP N N 15 122.125 0.047 . 1 . . . . . 53 ASP N . 27885 1 242 . 1 . 1 54 54 ASN H H 1 8.329 0.003 . 1 . . . . . 54 ASN H . 27885 1 243 . 1 . 1 54 54 ASN C C 13 175.346 0.188 . 1 . . . . . 54 ASN C . 27885 1 244 . 1 . 1 54 54 ASN CA C 13 53.379 0.188 . 1 . . . . . 54 ASN CA . 27885 1 245 . 1 . 1 54 54 ASN CB C 13 38.676 0.234 . 1 . . . . . 54 ASN CB . 27885 1 246 . 1 . 1 54 54 ASN N N 15 118.377 0.047 . 1 . . . . . 54 ASN N . 27885 1 247 . 1 . 1 55 55 LEU H H 1 8.241 0.003 . 1 . . . . . 55 LEU H . 27885 1 248 . 1 . 1 55 55 LEU C C 13 177.866 0.188 . 1 . . . . . 55 LEU C . 27885 1 249 . 1 . 1 55 55 LEU CA C 13 55.648 0.188 . 1 . . . . . 55 LEU CA . 27885 1 250 . 1 . 1 55 55 LEU CB C 13 42.007 0.234 . 1 . . . . . 55 LEU CB . 27885 1 251 . 1 . 1 55 55 LEU N N 15 122.035 0.047 . 1 . . . . . 55 LEU N . 27885 1 252 . 1 . 1 56 56 GLY H H 1 8.314 0.003 . 1 . . . . . 56 GLY H . 27885 1 253 . 1 . 1 56 56 GLY C C 13 173.739 0.188 . 1 . . . . . 56 GLY C . 27885 1 254 . 1 . 1 56 56 GLY CA C 13 45.300 0.188 . 1 . . . . . 56 GLY CA . 27885 1 255 . 1 . 1 56 56 GLY N N 15 108.589 0.047 . 1 . . . . . 56 GLY N . 27885 1 256 . 1 . 1 57 57 PHE H H 1 7.961 0.003 . 1 . . . . . 57 PHE H . 27885 1 257 . 1 . 1 57 57 PHE C C 13 175.491 0.188 . 1 . . . . . 57 PHE C . 27885 1 258 . 1 . 1 57 57 PHE CA C 13 57.849 0.188 . 1 . . . . . 57 PHE CA . 27885 1 259 . 1 . 1 57 57 PHE CB C 13 39.610 0.234 . 1 . . . . . 57 PHE CB . 27885 1 260 . 1 . 1 57 57 PHE N N 15 120.055 0.047 . 1 . . . . . 57 PHE N . 27885 1 261 . 1 . 1 58 58 ILE H H 1 7.988 0.003 . 1 . . . . . 58 ILE H . 27885 1 262 . 1 . 1 58 58 ILE C C 13 175.686 0.188 . 1 . . . . . 58 ILE C . 27885 1 263 . 1 . 1 58 58 ILE CA C 13 60.846 0.188 . 1 . . . . . 58 ILE CA . 27885 1 264 . 1 . 1 58 58 ILE CB C 13 38.951 0.234 . 1 . . . . . 58 ILE CB . 27885 1 265 . 1 . 1 58 58 ILE N N 15 123.539 0.047 . 1 . . . . . 58 ILE N . 27885 1 266 . 1 . 1 59 59 GLU H H 1 8.430 0.003 . 1 . . . . . 59 GLU H . 27885 1 267 . 1 . 1 59 59 GLU C C 13 176.422 0.188 . 1 . . . . . 59 GLU C . 27885 1 268 . 1 . 1 59 59 GLU CA C 13 56.740 0.188 . 1 . . . . . 59 GLU CA . 27885 1 269 . 1 . 1 59 59 GLU CB C 13 30.210 0.234 . 1 . . . . . 59 GLU CB . 27885 1 270 . 1 . 1 59 59 GLU N N 15 125.421 0.047 . 1 . . . . . 59 GLU N . 27885 1 271 . 1 . 1 60 60 GLN H H 1 8.463 0.003 . 1 . . . . . 60 GLN H . 27885 1 272 . 1 . 1 60 60 GLN C C 13 175.919 0.188 . 1 . . . . . 60 GLN C . 27885 1 273 . 1 . 1 60 60 GLN CA C 13 55.930 0.188 . 1 . . . . . 60 GLN CA . 27885 1 274 . 1 . 1 60 60 GLN CB C 13 29.509 0.234 . 1 . . . . . 60 GLN CB . 27885 1 275 . 1 . 1 60 60 GLN N N 15 122.135 0.047 . 1 . . . . . 60 GLN N . 27885 1 276 . 1 . 1 61 61 SER H H 1 8.384 0.003 . 1 . . . . . 61 SER H . 27885 1 277 . 1 . 1 61 61 SER C C 13 174.625 0.188 . 1 . . . . . 61 SER C . 27885 1 278 . 1 . 1 61 61 SER CA C 13 58.697 0.188 . 1 . . . . . 61 SER CA . 27885 1 279 . 1 . 1 61 61 SER CB C 13 63.907 0.234 . 1 . . . . . 61 SER CB . 27885 1 280 . 1 . 1 61 61 SER N N 15 117.298 0.047 . 1 . . . . . 61 SER N . 27885 1 281 . 1 . 1 62 62 GLU H H 1 8.489 0.003 . 1 . . . . . 62 GLU H . 27885 1 282 . 1 . 1 62 62 GLU C C 13 176.525 0.188 . 1 . . . . . 62 GLU C . 27885 1 283 . 1 . 1 62 62 GLU CA C 13 56.703 0.188 . 1 . . . . . 62 GLU CA . 27885 1 284 . 1 . 1 62 62 GLU CB C 13 30.269 0.234 . 1 . . . . . 62 GLU CB . 27885 1 285 . 1 . 1 62 62 GLU N N 15 122.641 0.047 . 1 . . . . . 62 GLU N . 27885 1 286 . 1 . 1 63 63 THR H H 1 8.186 0.003 . 1 . . . . . 63 THR H . 27885 1 287 . 1 . 1 63 63 THR C C 13 174.194 0.188 . 1 . . . . . 63 THR C . 27885 1 288 . 1 . 1 63 63 THR CA C 13 62.069 0.188 . 1 . . . . . 63 THR CA . 27885 1 289 . 1 . 1 63 63 THR CB C 13 69.858 0.234 . 1 . . . . . 63 THR CB . 27885 1 290 . 1 . 1 63 63 THR N N 15 115.839 0.047 . 1 . . . . . 63 THR N . 27885 1 291 . 1 . 1 64 64 VAL H H 1 8.074 0.003 . 1 . . . . . 64 VAL H . 27885 1 292 . 1 . 1 64 64 VAL C C 13 175.478 0.188 . 1 . . . . . 64 VAL C . 27885 1 293 . 1 . 1 64 64 VAL CA C 13 62.218 0.188 . 1 . . . . . 64 VAL CA . 27885 1 294 . 1 . 1 64 64 VAL CB C 13 32.679 0.234 . 1 . . . . . 64 VAL CB . 27885 1 295 . 1 . 1 64 64 VAL N N 15 122.977 0.047 . 1 . . . . . 64 VAL N . 27885 1 296 . 1 . 1 65 65 HIS H H 1 8.603 0.003 . 1 . . . . . 65 HIS H . 27885 1 297 . 1 . 1 65 65 HIS C C 13 172.845 0.188 . 1 . . . . . 65 HIS C . 27885 1 298 . 1 . 1 65 65 HIS CA C 13 53.304 0.188 . 1 . . . . . 65 HIS CA . 27885 1 299 . 1 . 1 65 65 HIS CB C 13 28.994 0.234 . 1 . . . . . 65 HIS CB . 27885 1 300 . 1 . 1 65 65 HIS N N 15 123.705 0.047 . 1 . . . . . 65 HIS N . 27885 1 301 . 1 . 1 66 66 PRO C C 13 177.226 0.188 . 1 . . . . . 66 PRO C . 27885 1 302 . 1 . 1 66 66 PRO CA C 13 63.471 0.188 . 1 . . . . . 66 PRO CA . 27885 1 303 . 1 . 1 66 66 PRO CB C 13 32.117 0.234 . 1 . . . . . 66 PRO CB . 27885 1 304 . 1 . 1 67 67 GLU H H 1 8.923 0.003 . 1 . . . . . 67 GLU H . 27885 1 305 . 1 . 1 67 67 GLU C C 13 176.600 0.188 . 1 . . . . . 67 GLU C . 27885 1 306 . 1 . 1 67 67 GLU CA C 13 57.183 0.188 . 1 . . . . . 67 GLU CA . 27885 1 307 . 1 . 1 67 67 GLU CB C 13 29.771 0.234 . 1 . . . . . 67 GLU CB . 27885 1 308 . 1 . 1 67 67 GLU N N 15 121.128 0.047 . 1 . . . . . 67 GLU N . 27885 1 309 . 1 . 1 68 68 ASN H H 1 8.364 0.003 . 1 . . . . . 68 ASN H . 27885 1 310 . 1 . 1 68 68 ASN C C 13 175.386 0.188 . 1 . . . . . 68 ASN C . 27885 1 311 . 1 . 1 68 68 ASN CA C 13 53.397 0.188 . 1 . . . . . 68 ASN CA . 27885 1 312 . 1 . 1 68 68 ASN CB C 13 38.741 0.234 . 1 . . . . . 68 ASN CB . 27885 1 313 . 1 . 1 68 68 ASN N N 15 118.622 0.047 . 1 . . . . . 68 ASN N . 27885 1 314 . 1 . 1 69 69 GLU H H 1 8.262 0.003 . 1 . . . . . 69 GLU H . 27885 1 315 . 1 . 1 69 69 GLU C C 13 176.639 0.188 . 1 . . . . . 69 GLU C . 27885 1 316 . 1 . 1 69 69 GLU CA C 13 57.102 0.188 . 1 . . . . . 69 GLU CA . 27885 1 317 . 1 . 1 69 69 GLU CB C 13 30.144 0.234 . 1 . . . . . 69 GLU CB . 27885 1 318 . 1 . 1 69 69 GLU N N 15 121.199 0.047 . 1 . . . . . 69 GLU N . 27885 1 319 . 1 . 1 70 70 LYS H H 1 8.222 0.003 . 1 . . . . . 70 LYS H . 27885 1 320 . 1 . 1 70 70 LYS C C 13 176.281 0.188 . 1 . . . . . 70 LYS C . 27885 1 321 . 1 . 1 70 70 LYS CA C 13 56.372 0.188 . 1 . . . . . 70 LYS CA . 27885 1 322 . 1 . 1 70 70 LYS CB C 13 32.851 0.234 . 1 . . . . . 70 LYS CB . 27885 1 323 . 1 . 1 70 70 LYS N N 15 121.798 0.047 . 1 . . . . . 70 LYS N . 27885 1 324 . 1 . 1 71 71 ALA H H 1 8.154 0.003 . 1 . . . . . 71 ALA H . 27885 1 325 . 1 . 1 71 71 ALA C C 13 177.549 0.188 . 1 . . . . . 71 ALA C . 27885 1 326 . 1 . 1 71 71 ALA CA C 13 52.379 0.188 . 1 . . . . . 71 ALA CA . 27885 1 327 . 1 . 1 71 71 ALA CB C 13 19.177 0.234 . 1 . . . . . 71 ALA CB . 27885 1 328 . 1 . 1 71 71 ALA N N 15 124.547 0.047 . 1 . . . . . 71 ALA N . 27885 1 329 . 1 . 1 72 72 LEU H H 1 8.181 0.003 . 1 . . . . . 72 LEU H . 27885 1 330 . 1 . 1 72 72 LEU C C 13 177.333 0.188 . 1 . . . . . 72 LEU C . 27885 1 331 . 1 . 1 72 72 LEU CA C 13 55.070 0.188 . 1 . . . . . 72 LEU CA . 27885 1 332 . 1 . 1 72 72 LEU CB C 13 42.435 0.234 . 1 . . . . . 72 LEU CB . 27885 1 333 . 1 . 1 72 72 LEU N N 15 121.361 0.047 . 1 . . . . . 72 LEU N . 27885 1 334 . 1 . 1 73 73 THR H H 1 7.999 0.003 . 1 . . . . . 73 THR H . 27885 1 335 . 1 . 1 73 73 THR C C 13 173.088 0.188 . 1 . . . . . 73 THR C . 27885 1 336 . 1 . 1 73 73 THR CA C 13 59.565 0.188 . 1 . . . . . 73 THR CA . 27885 1 337 . 1 . 1 73 73 THR CB C 13 69.587 0.234 . 1 . . . . . 73 THR CB . 27885 1 338 . 1 . 1 73 73 THR N N 15 116.265 0.047 . 1 . . . . . 73 THR N . 27885 1 339 . 1 . 1 74 74 PRO C C 13 176.500 0.188 . 1 . . . . . 74 PRO C . 27885 1 340 . 1 . 1 74 74 PRO CA C 13 63.677 0.188 . 1 . . . . . 74 PRO CA . 27885 1 341 . 1 . 1 74 74 PRO CB C 13 32.079 0.234 . 1 . . . . . 74 PRO CB . 27885 1 342 . 1 . 1 75 75 ASP H H 1 8.435 0.003 . 1 . . . . . 75 ASP H . 27885 1 343 . 1 . 1 75 75 ASP C C 13 176.509 0.188 . 1 . . . . . 75 ASP C . 27885 1 344 . 1 . 1 75 75 ASP CA C 13 54.283 0.188 . 1 . . . . . 75 ASP CA . 27885 1 345 . 1 . 1 75 75 ASP CB C 13 40.984 0.234 . 1 . . . . . 75 ASP CB . 27885 1 346 . 1 . 1 75 75 ASP N N 15 119.677 0.047 . 1 . . . . . 75 ASP N . 27885 1 347 . 1 . 1 76 76 LEU H H 1 8.163 0.003 . 1 . . . . . 76 LEU H . 27885 1 348 . 1 . 1 76 76 LEU C C 13 177.653 0.188 . 1 . . . . . 76 LEU C . 27885 1 349 . 1 . 1 76 76 LEU CA C 13 55.343 0.188 . 1 . . . . . 76 LEU CA . 27885 1 350 . 1 . 1 76 76 LEU CB C 13 41.961 0.234 . 1 . . . . . 76 LEU CB . 27885 1 351 . 1 . 1 76 76 LEU N N 15 123.205 0.047 . 1 . . . . . 76 LEU N . 27885 1 352 . 1 . 1 77 77 ARG H H 1 8.225 0.003 . 1 . . . . . 77 ARG H . 27885 1 353 . 1 . 1 77 77 ARG C C 13 176.306 0.188 . 1 . . . . . 77 ARG C . 27885 1 354 . 1 . 1 77 77 ARG CA C 13 56.790 0.188 . 1 . . . . . 77 ARG CA . 27885 1 355 . 1 . 1 77 77 ARG CB C 13 30.570 0.234 . 1 . . . . . 77 ARG CB . 27885 1 356 . 1 . 1 77 77 ARG N N 15 120.651 0.047 . 1 . . . . . 77 ARG N . 27885 1 357 . 1 . 1 78 78 ASP H H 1 8.260 0.003 . 1 . . . . . 78 ASP H . 27885 1 358 . 1 . 1 78 78 ASP C C 13 176.659 0.188 . 1 . . . . . 78 ASP C . 27885 1 359 . 1 . 1 78 78 ASP CA C 13 54.423 0.188 . 1 . . . . . 78 ASP CA . 27885 1 360 . 1 . 1 78 78 ASP CB C 13 41.184 0.234 . 1 . . . . . 78 ASP CB . 27885 1 361 . 1 . 1 78 78 ASP N N 15 120.535 0.047 . 1 . . . . . 78 ASP N . 27885 1 362 . 1 . 1 79 79 THR H H 1 8.058 0.003 . 1 . . . . . 79 THR H . 27885 1 363 . 1 . 1 79 79 THR C C 13 174.921 0.188 . 1 . . . . . 79 THR C . 27885 1 364 . 1 . 1 79 79 THR CA C 13 62.289 0.188 . 1 . . . . . 79 THR CA . 27885 1 365 . 1 . 1 79 79 THR CB C 13 69.598 0.234 . 1 . . . . . 79 THR CB . 27885 1 366 . 1 . 1 79 79 THR N N 15 114.603 0.047 . 1 . . . . . 79 THR N . 27885 1 367 . 1 . 1 80 80 LYS H H 1 8.257 0.003 . 1 . . . . . 80 LYS H . 27885 1 368 . 1 . 1 80 80 LYS C C 13 176.499 0.188 . 1 . . . . . 80 LYS C . 27885 1 369 . 1 . 1 80 80 LYS CA C 13 56.555 0.188 . 1 . . . . . 80 LYS CA . 27885 1 370 . 1 . 1 80 80 LYS CB C 13 32.615 0.234 . 1 . . . . . 80 LYS CB . 27885 1 371 . 1 . 1 80 80 LYS N N 15 122.916 0.047 . 1 . . . . . 80 LYS N . 27885 1 372 . 1 . 1 81 81 ILE H H 1 7.928 0.003 . 1 . . . . . 81 ILE H . 27885 1 373 . 1 . 1 81 81 ILE C C 13 176.087 0.188 . 1 . . . . . 81 ILE C . 27885 1 374 . 1 . 1 81 81 ILE CA C 13 61.134 0.188 . 1 . . . . . 81 ILE CA . 27885 1 375 . 1 . 1 81 81 ILE CB C 13 38.552 0.234 . 1 . . . . . 81 ILE CB . 27885 1 376 . 1 . 1 81 81 ILE N N 15 120.631 0.047 . 1 . . . . . 81 ILE N . 27885 1 377 . 1 . 1 82 82 HIS H H 1 8.482 0.003 . 1 . . . . . 82 HIS H . 27885 1 378 . 1 . 1 82 82 HIS C C 13 175.035 0.188 . 1 . . . . . 82 HIS C . 27885 1 379 . 1 . 1 82 82 HIS CA C 13 55.632 0.188 . 1 . . . . . 82 HIS CA . 27885 1 380 . 1 . 1 82 82 HIS CB C 13 29.969 0.234 . 1 . . . . . 82 HIS CB . 27885 1 381 . 1 . 1 82 82 HIS N N 15 123.391 0.047 . 1 . . . . . 82 HIS N . 27885 1 382 . 1 . 1 83 83 THR H H 1 8.135 0.003 . 1 . . . . . 83 THR H . 27885 1 383 . 1 . 1 83 83 THR C C 13 174.211 0.188 . 1 . . . . . 83 THR C . 27885 1 384 . 1 . 1 83 83 THR CA C 13 61.803 0.188 . 1 . . . . . 83 THR CA . 27885 1 385 . 1 . 1 83 83 THR CB C 13 69.909 0.234 . 1 . . . . . 83 THR CB . 27885 1 386 . 1 . 1 83 83 THR N N 15 115.862 0.047 . 1 . . . . . 83 THR N . 27885 1 387 . 1 . 1 84 84 SER H H 1 8.369 0.003 . 1 . . . . . 84 SER H . 27885 1 388 . 1 . 1 84 84 SER C C 13 173.966 0.188 . 1 . . . . . 84 SER C . 27885 1 389 . 1 . 1 84 84 SER CA C 13 58.166 0.188 . 1 . . . . . 84 SER CA . 27885 1 390 . 1 . 1 84 84 SER CB C 13 63.983 0.234 . 1 . . . . . 84 SER CB . 27885 1 391 . 1 . 1 84 84 SER N N 15 118.444 0.047 . 1 . . . . . 84 SER N . 27885 1 392 . 1 . 1 85 85 LEU H H 1 8.243 0.003 . 1 . . . . . 85 LEU H . 27885 1 393 . 1 . 1 85 85 LEU C C 13 175.201 0.188 . 1 . . . . . 85 LEU C . 27885 1 394 . 1 . 1 85 85 LEU CA C 13 53.149 0.188 . 1 . . . . . 85 LEU CA . 27885 1 395 . 1 . 1 85 85 LEU CB C 13 41.800 0.234 . 1 . . . . . 85 LEU CB . 27885 1 396 . 1 . 1 85 85 LEU N N 15 125.337 0.047 . 1 . . . . . 85 LEU N . 27885 1 397 . 1 . 1 86 86 PRO C C 13 176.684 0.188 . 1 . . . . . 86 PRO C . 27885 1 398 . 1 . 1 86 86 PRO CA C 13 63.040 0.188 . 1 . . . . . 86 PRO CA . 27885 1 399 . 1 . 1 86 86 PRO CB C 13 31.907 0.234 . 1 . . . . . 86 PRO CB . 27885 1 400 . 1 . 1 87 87 ILE H H 1 8.271 0.003 . 1 . . . . . 87 ILE H . 27885 1 401 . 1 . 1 87 87 ILE C C 13 176.642 0.188 . 1 . . . . . 87 ILE C . 27885 1 402 . 1 . 1 87 87 ILE CA C 13 61.232 0.188 . 1 . . . . . 87 ILE CA . 27885 1 403 . 1 . 1 87 87 ILE CB C 13 38.786 0.234 . 1 . . . . . 87 ILE CB . 27885 1 404 . 1 . 1 87 87 ILE N N 15 121.180 0.047 . 1 . . . . . 87 ILE N . 27885 1 405 . 1 . 1 88 88 THR H H 1 8.218 0.003 . 1 . . . . . 88 THR H . 27885 1 406 . 1 . 1 88 88 THR C C 13 174.363 0.188 . 1 . . . . . 88 THR C . 27885 1 407 . 1 . 1 88 88 THR CA C 13 61.569 0.188 . 1 . . . . . 88 THR CA . 27885 1 408 . 1 . 1 88 88 THR CB C 13 69.915 0.234 . 1 . . . . . 88 THR CB . 27885 1 409 . 1 . 1 88 88 THR N N 15 118.233 0.047 . 1 . . . . . 88 THR N . 27885 1 410 . 1 . 1 89 89 THR H H 1 8.235 0.003 . 1 . . . . . 89 THR H . 27885 1 411 . 1 . 1 89 89 THR C C 13 173.101 0.188 . 1 . . . . . 89 THR C . 27885 1 412 . 1 . 1 89 89 THR CA C 13 59.802 0.188 . 1 . . . . . 89 THR CA . 27885 1 413 . 1 . 1 89 89 THR CB C 13 69.881 0.234 . 1 . . . . . 89 THR CB . 27885 1 414 . 1 . 1 89 89 THR N N 15 118.403 0.047 . 1 . . . . . 89 THR N . 27885 1 415 . 1 . 1 90 90 PRO C C 13 176.849 0.188 . 1 . . . . . 90 PRO C . 27885 1 416 . 1 . 1 90 90 PRO CA C 13 63.483 0.188 . 1 . . . . . 90 PRO CA . 27885 1 417 . 1 . 1 90 90 PRO CB C 13 31.896 0.234 . 1 . . . . . 90 PRO CB . 27885 1 418 . 1 . 1 91 91 PHE H H 1 8.184 0.003 . 1 . . . . . 91 PHE H . 27885 1 419 . 1 . 1 91 91 PHE C C 13 175.973 0.188 . 1 . . . . . 91 PHE C . 27885 1 420 . 1 . 1 91 91 PHE CA C 13 58.081 0.188 . 1 . . . . . 91 PHE CA . 27885 1 421 . 1 . 1 91 91 PHE CB C 13 39.302 0.234 . 1 . . . . . 91 PHE CB . 27885 1 422 . 1 . 1 91 91 PHE N N 15 119.732 0.047 . 1 . . . . . 91 PHE N . 27885 1 423 . 1 . 1 92 92 SER H H 1 8.056 0.003 . 1 . . . . . 92 SER H . 27885 1 424 . 1 . 1 92 92 SER C C 13 174.608 0.188 . 1 . . . . . 92 SER C . 27885 1 425 . 1 . 1 92 92 SER CA C 13 58.441 0.188 . 1 . . . . . 92 SER CA . 27885 1 426 . 1 . 1 92 92 SER CB C 13 64.043 0.234 . 1 . . . . . 92 SER CB . 27885 1 427 . 1 . 1 92 92 SER N N 15 117.151 0.047 . 1 . . . . . 92 SER N . 27885 1 428 . 1 . 1 93 93 LYS H H 1 8.291 0.003 . 1 . . . . . 93 LYS H . 27885 1 429 . 1 . 1 93 93 LYS C C 13 176.726 0.188 . 1 . . . . . 93 LYS C . 27885 1 430 . 1 . 1 93 93 LYS CA C 13 56.816 0.188 . 1 . . . . . 93 LYS CA . 27885 1 431 . 1 . 1 93 93 LYS CB C 13 32.853 0.234 . 1 . . . . . 93 LYS CB . 27885 1 432 . 1 . 1 93 93 LYS N N 15 123.665 0.047 . 1 . . . . . 93 LYS N . 27885 1 433 . 1 . 1 94 94 LYS H H 1 8.187 0.003 . 1 . . . . . 94 LYS H . 27885 1 434 . 1 . 1 94 94 LYS C C 13 177.280 0.188 . 1 . . . . . 94 LYS C . 27885 1 435 . 1 . 1 94 94 LYS CA C 13 56.832 0.188 . 1 . . . . . 94 LYS CA . 27885 1 436 . 1 . 1 94 94 LYS CB C 13 32.927 0.234 . 1 . . . . . 94 LYS CB . 27885 1 437 . 1 . 1 94 94 LYS N N 15 122.092 0.047 . 1 . . . . . 94 LYS N . 27885 1 438 . 1 . 1 95 95 ARG H H 1 8.280 0.003 . 1 . . . . . 95 ARG H . 27885 1 439 . 1 . 1 95 95 ARG C C 13 176.232 0.188 . 1 . . . . . 95 ARG C . 27885 1 440 . 1 . 1 95 95 ARG CA C 13 56.322 0.188 . 1 . . . . . 95 ARG CA . 27885 1 441 . 1 . 1 95 95 ARG CB C 13 30.575 0.234 . 1 . . . . . 95 ARG CB . 27885 1 442 . 1 . 1 95 95 ARG N N 15 122.220 0.047 . 1 . . . . . 95 ARG N . 27885 1 443 . 1 . 1 96 96 ALA H H 1 8.293 0.003 . 1 . . . . . 96 ALA H . 27885 1 444 . 1 . 1 96 96 ALA C C 13 178.010 0.188 . 1 . . . . . 96 ALA C . 27885 1 445 . 1 . 1 96 96 ALA CA C 13 52.856 0.188 . 1 . . . . . 96 ALA CA . 27885 1 446 . 1 . 1 96 96 ALA CB C 13 19.187 0.234 . 1 . . . . . 96 ALA CB . 27885 1 447 . 1 . 1 96 96 ALA N N 15 125.318 0.047 . 1 . . . . . 96 ALA N . 27885 1 448 . 1 . 1 97 97 ARG H H 1 8.283 0.003 . 1 . . . . . 97 ARG H . 27885 1 449 . 1 . 1 97 97 ARG C C 13 176.650 0.188 . 1 . . . . . 97 ARG C . 27885 1 450 . 1 . 1 97 97 ARG CA C 13 56.549 0.188 . 1 . . . . . 97 ARG CA . 27885 1 451 . 1 . 1 97 97 ARG CB C 13 30.705 0.234 . 1 . . . . . 97 ARG CB . 27885 1 452 . 1 . 1 97 97 ARG N N 15 120.146 0.047 . 1 . . . . . 97 ARG N . 27885 1 453 . 1 . 1 98 98 GLU H H 1 8.362 0.003 . 1 . . . . . 98 GLU H . 27885 1 454 . 1 . 1 98 98 GLU C C 13 176.314 0.188 . 1 . . . . . 98 GLU C . 27885 1 455 . 1 . 1 98 98 GLU CA C 13 56.564 0.188 . 1 . . . . . 98 GLU CA . 27885 1 456 . 1 . 1 98 98 GLU CB C 13 30.362 0.234 . 1 . . . . . 98 GLU CB . 27885 1 457 . 1 . 1 98 98 GLU N N 15 121.899 0.047 . 1 . . . . . 98 GLU N . 27885 1 458 . 1 . 1 99 99 ALA H H 1 8.294 0.003 . 1 . . . . . 99 ALA H . 27885 1 459 . 1 . 1 99 99 ALA C C 13 177.744 0.188 . 1 . . . . . 99 ALA C . 27885 1 460 . 1 . 1 99 99 ALA CA C 13 52.674 0.188 . 1 . . . . . 99 ALA CA . 27885 1 461 . 1 . 1 99 99 ALA CB C 13 19.154 0.234 . 1 . . . . . 99 ALA CB . 27885 1 462 . 1 . 1 99 99 ALA N N 15 125.383 0.047 . 1 . . . . . 99 ALA N . 27885 1 463 . 1 . 1 100 100 LYS H H 1 8.227 0.003 . 1 . . . . . 100 LYS H . 27885 1 464 . 1 . 1 100 100 LYS C C 13 176.236 0.188 . 1 . . . . . 100 LYS C . 27885 1 465 . 1 . 1 100 100 LYS CA C 13 56.439 0.188 . 1 . . . . . 100 LYS CA . 27885 1 466 . 1 . 1 100 100 LYS CB C 13 33.025 0.234 . 1 . . . . . 100 LYS CB . 27885 1 467 . 1 . 1 100 100 LYS N N 15 120.002 0.047 . 1 . . . . . 100 LYS N . 27885 1 468 . 1 . 1 101 101 ASN H H 1 8.376 0.003 . 1 . . . . . 101 ASN H . 27885 1 469 . 1 . 1 101 101 ASN C C 13 175.200 0.188 . 1 . . . . . 101 ASN C . 27885 1 470 . 1 . 1 101 101 ASN CA C 13 53.315 0.188 . 1 . . . . . 101 ASN CA . 27885 1 471 . 1 . 1 101 101 ASN CB C 13 38.695 0.234 . 1 . . . . . 101 ASN CB . 27885 1 472 . 1 . 1 101 101 ASN N N 15 119.582 0.047 . 1 . . . . . 101 ASN N . 27885 1 473 . 1 . 1 102 102 ILE H H 1 8.028 0.003 . 1 . . . . . 102 ILE H . 27885 1 474 . 1 . 1 102 102 ILE C C 13 175.932 0.188 . 1 . . . . . 102 ILE C . 27885 1 475 . 1 . 1 102 102 ILE CA C 13 61.408 0.188 . 1 . . . . . 102 ILE CA . 27885 1 476 . 1 . 1 102 102 ILE CB C 13 38.666 0.234 . 1 . . . . . 102 ILE CB . 27885 1 477 . 1 . 1 102 102 ILE N N 15 121.081 0.047 . 1 . . . . . 102 ILE N . 27885 1 478 . 1 . 1 103 103 LEU H H 1 8.195 0.003 . 1 . . . . . 103 LEU H . 27885 1 479 . 1 . 1 103 103 LEU C C 13 176.867 0.188 . 1 . . . . . 103 LEU C . 27885 1 480 . 1 . 1 103 103 LEU CA C 13 55.032 0.188 . 1 . . . . . 103 LEU CA . 27885 1 481 . 1 . 1 103 103 LEU CB C 13 42.209 0.234 . 1 . . . . . 103 LEU CB . 27885 1 482 . 1 . 1 103 103 LEU N N 15 125.490 0.047 . 1 . . . . . 103 LEU N . 27885 1 483 . 1 . 1 104 104 LEU H H 1 8.076 0.003 . 1 . . . . . 104 LEU H . 27885 1 484 . 1 . 1 104 104 LEU C C 13 176.814 0.188 . 1 . . . . . 104 LEU C . 27885 1 485 . 1 . 1 104 104 LEU CA C 13 54.913 0.188 . 1 . . . . . 104 LEU CA . 27885 1 486 . 1 . 1 104 104 LEU CB C 13 42.365 0.234 . 1 . . . . . 104 LEU CB . 27885 1 487 . 1 . 1 104 104 LEU N N 15 123.354 0.047 . 1 . . . . . 104 LEU N . 27885 1 488 . 1 . 1 105 105 LYS H H 1 8.180 0.003 . 1 . . . . . 105 LYS H . 27885 1 489 . 1 . 1 105 105 LYS C C 13 174.289 0.188 . 1 . . . . . 105 LYS C . 27885 1 490 . 1 . 1 105 105 LYS CA C 13 54.107 0.188 . 1 . . . . . 105 LYS CA . 27885 1 491 . 1 . 1 105 105 LYS CB C 13 32.487 0.234 . 1 . . . . . 105 LYS CB . 27885 1 492 . 1 . 1 105 105 LYS N N 15 123.253 0.047 . 1 . . . . . 105 LYS N . 27885 1 493 . 1 . 1 106 106 PRO C C 13 176.578 0.188 . 1 . . . . . 106 PRO C . 27885 1 494 . 1 . 1 106 106 PRO CA C 13 63.070 0.188 . 1 . . . . . 106 PRO CA . 27885 1 495 . 1 . 1 106 106 PRO CB C 13 31.867 0.234 . 1 . . . . . 106 PRO CB . 27885 1 496 . 1 . 1 107 107 PHE H H 1 8.264 0.003 . 1 . . . . . 107 PHE H . 27885 1 497 . 1 . 1 107 107 PHE C C 13 175.370 0.188 . 1 . . . . . 107 PHE C . 27885 1 498 . 1 . 1 107 107 PHE CA C 13 57.743 0.188 . 1 . . . . . 107 PHE CA . 27885 1 499 . 1 . 1 107 107 PHE CB C 13 39.767 0.234 . 1 . . . . . 107 PHE CB . 27885 1 500 . 1 . 1 107 107 PHE N N 15 120.986 0.047 . 1 . . . . . 107 PHE N . 27885 1 501 . 1 . 1 108 108 LYS H H 1 8.105 0.003 . 1 . . . . . 108 LYS H . 27885 1 502 . 1 . 1 108 108 LYS C C 13 175.485 0.188 . 1 . . . . . 108 LYS C . 27885 1 503 . 1 . 1 108 108 LYS CA C 13 55.631 0.188 . 1 . . . . . 108 LYS CA . 27885 1 504 . 1 . 1 108 108 LYS CB C 13 33.362 0.234 . 1 . . . . . 108 LYS CB . 27885 1 505 . 1 . 1 108 108 LYS N N 15 124.192 0.047 . 1 . . . . . 108 LYS N . 27885 1 506 . 1 . 1 109 109 SER H H 1 8.294 0.003 . 1 . . . . . 109 SER H . 27885 1 507 . 1 . 1 109 109 SER C C 13 173.006 0.188 . 1 . . . . . 109 SER C . 27885 1 508 . 1 . 1 109 109 SER CA C 13 56.473 0.188 . 1 . . . . . 109 SER CA . 27885 1 509 . 1 . 1 109 109 SER CB C 13 64.096 0.234 . 1 . . . . . 109 SER CB . 27885 1 510 . 1 . 1 109 109 SER N N 15 119.172 0.047 . 1 . . . . . 109 SER N . 27885 1 511 . 1 . 1 110 110 PRO C C 13 176.722 0.188 . 1 . . . . . 110 PRO C . 27885 1 512 . 1 . 1 110 110 PRO CA C 13 63.201 0.188 . 1 . . . . . 110 PRO CA . 27885 1 513 . 1 . 1 110 110 PRO CB C 13 32.077 0.234 . 1 . . . . . 110 PRO CB . 27885 1 514 . 1 . 1 111 111 LEU H H 1 8.194 0.003 . 1 . . . . . 111 LEU H . 27885 1 515 . 1 . 1 111 111 LEU C C 13 177.295 0.188 . 1 . . . . . 111 LEU C . 27885 1 516 . 1 . 1 111 111 LEU CA C 13 55.283 0.188 . 1 . . . . . 111 LEU CA . 27885 1 517 . 1 . 1 111 111 LEU CB C 13 42.260 0.234 . 1 . . . . . 111 LEU CB . 27885 1 518 . 1 . 1 111 111 LEU N N 15 122.023 0.047 . 1 . . . . . 111 LEU N . 27885 1 519 . 1 . 1 112 112 ARG H H 1 8.298 0.003 . 1 . . . . . 112 ARG H . 27885 1 520 . 1 . 1 112 112 ARG C C 13 176.041 0.188 . 1 . . . . . 112 ARG C . 27885 1 521 . 1 . 1 112 112 ARG CA C 13 55.910 0.188 . 1 . . . . . 112 ARG CA . 27885 1 522 . 1 . 1 112 112 ARG CB C 13 30.778 0.234 . 1 . . . . . 112 ARG CB . 27885 1 523 . 1 . 1 112 112 ARG N N 15 122.118 0.047 . 1 . . . . . 112 ARG N . 27885 1 524 . 1 . 1 113 113 GLN H H 1 8.463 0.003 . 1 . . . . . 113 GLN H . 27885 1 525 . 1 . 1 113 113 GLN C C 13 176.001 0.188 . 1 . . . . . 113 GLN C . 27885 1 526 . 1 . 1 113 113 GLN CA C 13 55.840 0.188 . 1 . . . . . 113 GLN CA . 27885 1 527 . 1 . 1 113 113 GLN CB C 13 29.646 0.234 . 1 . . . . . 113 GLN CB . 27885 1 528 . 1 . 1 113 113 GLN N N 15 122.135 0.047 . 1 . . . . . 113 GLN N . 27885 1 529 . 1 . 1 114 114 THR H H 1 8.220 0.003 . 1 . . . . . 114 THR H . 27885 1 530 . 1 . 1 114 114 THR C C 13 174.044 0.188 . 1 . . . . . 114 THR C . 27885 1 531 . 1 . 1 114 114 THR CA C 13 61.789 0.188 . 1 . . . . . 114 THR CA . 27885 1 532 . 1 . 1 114 114 THR CB C 13 69.976 0.234 . 1 . . . . . 114 THR CB . 27885 1 533 . 1 . 1 114 114 THR N N 15 115.997 0.047 . 1 . . . . . 114 THR N . 27885 1 534 . 1 . 1 115 115 ALA H H 1 8.365 0.003 . 1 . . . . . 115 ALA H . 27885 1 535 . 1 . 1 115 115 ALA C C 13 177.390 0.188 . 1 . . . . . 115 ALA C . 27885 1 536 . 1 . 1 115 115 ALA CA C 13 52.337 0.188 . 1 . . . . . 115 ALA CA . 27885 1 537 . 1 . 1 115 115 ALA CB C 13 19.398 0.234 . 1 . . . . . 115 ALA CB . 27885 1 538 . 1 . 1 115 115 ALA N N 15 126.604 0.047 . 1 . . . . . 115 ALA N . 27885 1 539 . 1 . 1 116 116 SER H H 1 8.333 0.003 . 1 . . . . . 116 SER H . 27885 1 540 . 1 . 1 116 116 SER C C 13 172.739 0.188 . 1 . . . . . 116 SER C . 27885 1 541 . 1 . 1 116 116 SER CA C 13 56.437 0.188 . 1 . . . . . 116 SER CA . 27885 1 542 . 1 . 1 116 116 SER CB C 13 63.359 0.234 . 1 . . . . . 116 SER CB . 27885 1 543 . 1 . 1 116 116 SER N N 15 116.987 0.047 . 1 . . . . . 116 SER N . 27885 1 544 . 1 . 1 117 117 PRO C C 13 176.786 0.188 . 1 . . . . . 117 PRO C . 27885 1 545 . 1 . 1 117 117 PRO CA C 13 63.340 0.188 . 1 . . . . . 117 PRO CA . 27885 1 546 . 1 . 1 117 117 PRO CB C 13 32.032 0.234 . 1 . . . . . 117 PRO CB . 27885 1 547 . 1 . 1 118 118 GLN H H 1 8.447 0.003 . 1 . . . . . 118 GLN H . 27885 1 548 . 1 . 1 118 118 GLN C C 13 176.002 0.188 . 1 . . . . . 118 GLN C . 27885 1 549 . 1 . 1 118 118 GLN CA C 13 55.828 0.188 . 1 . . . . . 118 GLN CA . 27885 1 550 . 1 . 1 118 118 GLN CB C 13 29.417 0.234 . 1 . . . . . 118 GLN CB . 27885 1 551 . 1 . 1 118 118 GLN N N 15 120.813 0.047 . 1 . . . . . 118 GLN N . 27885 1 552 . 1 . 1 119 119 VAL H H 1 8.159 0.003 . 1 . . . . . 119 VAL H . 27885 1 553 . 1 . 1 119 119 VAL C C 13 175.755 0.188 . 1 . . . . . 119 VAL C . 27885 1 554 . 1 . 1 119 119 VAL CA C 13 62.179 0.188 . 1 . . . . . 119 VAL CA . 27885 1 555 . 1 . 1 119 119 VAL CB C 13 32.848 0.234 . 1 . . . . . 119 VAL CB . 27885 1 556 . 1 . 1 119 119 VAL N N 15 121.764 0.047 . 1 . . . . . 119 VAL N . 27885 1 557 . 1 . 1 120 120 ALA H H 1 8.378 0.003 . 1 . . . . . 120 ALA H . 27885 1 558 . 1 . 1 120 120 ALA C C 13 177.344 0.188 . 1 . . . . . 120 ALA C . 27885 1 559 . 1 . 1 120 120 ALA CA C 13 52.472 0.188 . 1 . . . . . 120 ALA CA . 27885 1 560 . 1 . 1 120 120 ALA CB C 13 19.327 0.234 . 1 . . . . . 120 ALA CB . 27885 1 561 . 1 . 1 120 120 ALA N N 15 127.631 0.047 . 1 . . . . . 120 ALA N . 27885 1 562 . 1 . 1 121 121 ASP H H 1 8.293 0.003 . 1 . . . . . 121 ASP H . 27885 1 563 . 1 . 1 121 121 ASP C C 13 176.846 0.188 . 1 . . . . . 121 ASP C . 27885 1 564 . 1 . 1 121 121 ASP CA C 13 54.358 0.188 . 1 . . . . . 121 ASP CA . 27885 1 565 . 1 . 1 121 121 ASP CB C 13 41.232 0.234 . 1 . . . . . 121 ASP CB . 27885 1 566 . 1 . 1 121 121 ASP N N 15 120.203 0.047 . 1 . . . . . 121 ASP N . 27885 1 567 . 1 . 1 122 122 THR H H 1 8.118 0.003 . 1 . . . . . 122 THR H . 27885 1 568 . 1 . 1 122 122 THR C C 13 174.635 0.188 . 1 . . . . . 122 THR C . 27885 1 569 . 1 . 1 122 122 THR CA C 13 62.225 0.188 . 1 . . . . . 122 THR CA . 27885 1 570 . 1 . 1 122 122 THR CB C 13 69.517 0.234 . 1 . . . . . 122 THR CB . 27885 1 571 . 1 . 1 122 122 THR N N 15 114.459 0.047 . 1 . . . . . 122 THR N . 27885 1 572 . 1 . 1 123 123 ASN H H 1 8.465 0.003 . 1 . . . . . 123 ASN H . 27885 1 573 . 1 . 1 123 123 ASN C C 13 175.001 0.188 . 1 . . . . . 123 ASN C . 27885 1 574 . 1 . 1 123 123 ASN CA C 13 53.548 0.188 . 1 . . . . . 123 ASN CA . 27885 1 575 . 1 . 1 123 123 ASN CB C 13 38.783 0.234 . 1 . . . . . 123 ASN CB . 27885 1 576 . 1 . 1 123 123 ASN N N 15 120.578 0.047 . 1 . . . . . 123 ASN N . 27885 1 577 . 1 . 1 124 124 LEU H H 1 8.002 0.003 . 1 . . . . . 124 LEU H . 27885 1 578 . 1 . 1 124 124 LEU C C 13 176.986 0.188 . 1 . . . . . 124 LEU C . 27885 1 579 . 1 . 1 124 124 LEU CA C 13 55.136 0.188 . 1 . . . . . 124 LEU CA . 27885 1 580 . 1 . 1 124 124 LEU CB C 13 42.358 0.234 . 1 . . . . . 124 LEU CB . 27885 1 581 . 1 . 1 124 124 LEU N N 15 122.026 0.047 . 1 . . . . . 124 LEU N . 27885 1 582 . 1 . 1 125 125 LYS H H 1 8.230 0.003 . 1 . . . . . 125 LYS H . 27885 1 583 . 1 . 1 125 125 LYS C C 13 174.402 0.188 . 1 . . . . . 125 LYS C . 27885 1 584 . 1 . 1 125 125 LYS CA C 13 54.128 0.188 . 1 . . . . . 125 LYS CA . 27885 1 585 . 1 . 1 125 125 LYS CB C 13 32.351 0.234 . 1 . . . . . 125 LYS CB . 27885 1 586 . 1 . 1 125 125 LYS N N 15 123.427 0.047 . 1 . . . . . 125 LYS N . 27885 1 587 . 1 . 1 126 126 PRO C C 13 177.012 0.188 . 1 . . . . . 126 PRO C . 27885 1 588 . 1 . 1 126 126 PRO CA C 13 63.270 0.188 . 1 . . . . . 126 PRO CA . 27885 1 589 . 1 . 1 126 126 PRO CB C 13 32.082 0.234 . 1 . . . . . 126 PRO CB . 27885 1 590 . 1 . 1 127 127 SER H H 1 8.391 0.003 . 1 . . . . . 127 SER H . 27885 1 591 . 1 . 1 127 127 SER C C 13 174.605 0.188 . 1 . . . . . 127 SER C . 27885 1 592 . 1 . 1 127 127 SER CA C 13 58.268 0.188 . 1 . . . . . 127 SER CA . 27885 1 593 . 1 . 1 127 127 SER CB C 13 63.849 0.234 . 1 . . . . . 127 SER CB . 27885 1 594 . 1 . 1 127 127 SER N N 15 116.118 0.047 . 1 . . . . . 127 SER N . 27885 1 595 . 1 . 1 128 128 LEU H H 1 8.235 0.003 . 1 . . . . . 128 LEU H . 27885 1 596 . 1 . 1 128 128 LEU C C 13 176.920 0.188 . 1 . . . . . 128 LEU C . 27885 1 597 . 1 . 1 128 128 LEU CA C 13 55.059 0.188 . 1 . . . . . 128 LEU CA . 27885 1 598 . 1 . 1 128 128 LEU CB C 13 42.459 0.234 . 1 . . . . . 128 LEU CB . 27885 1 599 . 1 . 1 128 128 LEU N N 15 124.339 0.047 . 1 . . . . . 128 LEU N . 27885 1 600 . 1 . 1 129 129 ALA H H 1 8.207 0.003 . 1 . . . . . 129 ALA H . 27885 1 601 . 1 . 1 129 129 ALA C C 13 177.637 0.188 . 1 . . . . . 129 ALA C . 27885 1 602 . 1 . 1 129 129 ALA CA C 13 52.457 0.188 . 1 . . . . . 129 ALA CA . 27885 1 603 . 1 . 1 129 129 ALA CB C 13 19.142 0.234 . 1 . . . . . 129 ALA CB . 27885 1 604 . 1 . 1 129 129 ALA N N 15 124.849 0.047 . 1 . . . . . 129 ALA N . 27885 1 605 . 1 . 1 130 130 VAL H H 1 8.084 0.003 . 1 . . . . . 130 VAL H . 27885 1 606 . 1 . 1 130 130 VAL C C 13 176.419 0.188 . 1 . . . . . 130 VAL C . 27885 1 607 . 1 . 1 130 130 VAL CA C 13 62.292 0.188 . 1 . . . . . 130 VAL CA . 27885 1 608 . 1 . 1 130 130 VAL CB C 13 32.745 0.234 . 1 . . . . . 130 VAL CB . 27885 1 609 . 1 . 1 130 130 VAL N N 15 119.330 0.047 . 1 . . . . . 130 VAL N . 27885 1 610 . 1 . 1 131 131 THR H H 1 8.192 0.003 . 1 . . . . . 131 THR H . 27885 1 611 . 1 . 1 131 131 THR C C 13 174.073 0.188 . 1 . . . . . 131 THR C . 27885 1 612 . 1 . 1 131 131 THR CA C 13 61.817 0.188 . 1 . . . . . 131 THR CA . 27885 1 613 . 1 . 1 131 131 THR CB C 13 69.890 0.234 . 1 . . . . . 131 THR CB . 27885 1 614 . 1 . 1 131 131 THR N N 15 117.559 0.047 . 1 . . . . . 131 THR N . 27885 1 615 . 1 . 1 132 132 ASN H H 1 8.429 0.003 . 1 . . . . . 132 ASN H . 27885 1 616 . 1 . 1 132 132 ASN C C 13 174.954 0.188 . 1 . . . . . 132 ASN C . 27885 1 617 . 1 . 1 132 132 ASN CA C 13 53.173 0.188 . 1 . . . . . 132 ASN CA . 27885 1 618 . 1 . 1 132 132 ASN CB C 13 38.855 0.234 . 1 . . . . . 132 ASN CB . 27885 1 619 . 1 . 1 132 132 ASN N N 15 121.252 0.047 . 1 . . . . . 132 ASN N . 27885 1 620 . 1 . 1 133 133 LEU H H 1 8.267 0.003 . 1 . . . . . 133 LEU H . 27885 1 621 . 1 . 1 133 133 LEU C C 13 177.135 0.188 . 1 . . . . . 133 LEU C . 27885 1 622 . 1 . 1 133 133 LEU CA C 13 55.426 0.188 . 1 . . . . . 133 LEU CA . 27885 1 623 . 1 . 1 133 133 LEU CB C 13 42.340 0.234 . 1 . . . . . 133 LEU CB . 27885 1 624 . 1 . 1 133 133 LEU N N 15 122.784 0.047 . 1 . . . . . 133 LEU N . 27885 1 625 . 1 . 1 134 134 ASN H H 1 8.452 0.003 . 1 . . . . . 134 ASN H . 27885 1 626 . 1 . 1 134 134 ASN C C 13 175.309 0.188 . 1 . . . . . 134 ASN C . 27885 1 627 . 1 . 1 134 134 ASN CA C 13 53.261 0.188 . 1 . . . . . 134 ASN CA . 27885 1 628 . 1 . 1 134 134 ASN CB C 13 38.927 0.234 . 1 . . . . . 134 ASN CB . 27885 1 629 . 1 . 1 134 134 ASN N N 15 119.306 0.047 . 1 . . . . . 134 ASN N . 27885 1 630 . 1 . 1 135 135 SER H H 1 8.261 0.003 . 1 . . . . . 135 SER H . 27885 1 631 . 1 . 1 135 135 SER C C 13 174.367 0.188 . 1 . . . . . 135 SER C . 27885 1 632 . 1 . 1 135 135 SER CA C 13 58.608 0.188 . 1 . . . . . 135 SER CA . 27885 1 633 . 1 . 1 135 135 SER CB C 13 63.971 0.234 . 1 . . . . . 135 SER CB . 27885 1 634 . 1 . 1 135 135 SER N N 15 116.335 0.047 . 1 . . . . . 135 SER N . 27885 1 635 . 1 . 1 136 136 ASP H H 1 8.399 0.003 . 1 . . . . . 136 ASP H . 27885 1 636 . 1 . 1 136 136 ASP C C 13 176.549 0.188 . 1 . . . . . 136 ASP C . 27885 1 637 . 1 . 1 136 136 ASP CA C 13 54.600 0.188 . 1 . . . . . 136 ASP CA . 27885 1 638 . 1 . 1 136 136 ASP CB C 13 41.095 0.234 . 1 . . . . . 136 ASP CB . 27885 1 639 . 1 . 1 136 136 ASP N N 15 122.205 0.047 . 1 . . . . . 136 ASP N . 27885 1 640 . 1 . 1 137 137 GLU H H 1 8.371 0.003 . 1 . . . . . 137 GLU H . 27885 1 641 . 1 . 1 137 137 GLU C C 13 176.886 0.188 . 1 . . . . . 137 GLU C . 27885 1 642 . 1 . 1 137 137 GLU CA C 13 56.944 0.188 . 1 . . . . . 137 GLU CA . 27885 1 643 . 1 . 1 137 137 GLU CB C 13 30.092 0.234 . 1 . . . . . 137 GLU CB . 27885 1 644 . 1 . 1 137 137 GLU N N 15 121.009 0.047 . 1 . . . . . 137 GLU N . 27885 1 645 . 1 . 1 138 138 THR H H 1 8.197 0.003 . 1 . . . . . 138 THR H . 27885 1 646 . 1 . 1 138 138 THR C C 13 174.567 0.188 . 1 . . . . . 138 THR C . 27885 1 647 . 1 . 1 138 138 THR CA C 13 62.370 0.188 . 1 . . . . . 138 THR CA . 27885 1 648 . 1 . 1 138 138 THR CB C 13 69.876 0.234 . 1 . . . . . 138 THR CB . 27885 1 649 . 1 . 1 138 138 THR N N 15 114.214 0.047 . 1 . . . . . 138 THR N . 27885 1 650 . 1 . 1 139 139 ASN H H 1 8.411 0.003 . 1 . . . . . 139 ASN H . 27885 1 651 . 1 . 1 139 139 ASN C C 13 175.518 0.188 . 1 . . . . . 139 ASN C . 27885 1 652 . 1 . 1 139 139 ASN CA C 13 53.376 0.188 . 1 . . . . . 139 ASN CA . 27885 1 653 . 1 . 1 139 139 ASN CB C 13 38.880 0.234 . 1 . . . . . 139 ASN CB . 27885 1 654 . 1 . 1 139 139 ASN N N 15 121.164 0.047 . 1 . . . . . 139 ASN N . 27885 1 655 . 1 . 1 140 140 THR H H 1 8.178 0.003 . 1 . . . . . 140 THR H . 27885 1 656 . 1 . 1 140 140 THR C C 13 174.800 0.188 . 1 . . . . . 140 THR C . 27885 1 657 . 1 . 1 140 140 THR CA C 13 62.005 0.188 . 1 . . . . . 140 THR CA . 27885 1 658 . 1 . 1 140 140 THR CB C 13 69.751 0.234 . 1 . . . . . 140 THR CB . 27885 1 659 . 1 . 1 140 140 THR N N 15 114.374 0.047 . 1 . . . . . 140 THR N . 27885 1 660 . 1 . 1 141 141 SER H H 1 8.341 0.003 . 1 . . . . . 141 SER H . 27885 1 661 . 1 . 1 141 141 SER C C 13 174.521 0.188 . 1 . . . . . 141 SER C . 27885 1 662 . 1 . 1 141 141 SER CA C 13 58.414 0.188 . 1 . . . . . 141 SER CA . 27885 1 663 . 1 . 1 141 141 SER CB C 13 63.957 0.234 . 1 . . . . . 141 SER CB . 27885 1 664 . 1 . 1 141 141 SER N N 15 117.957 0.047 . 1 . . . . . 141 SER N . 27885 1 665 . 1 . 1 142 142 SER H H 1 8.354 0.003 . 1 . . . . . 142 SER H . 27885 1 666 . 1 . 1 142 142 SER C C 13 174.152 0.188 . 1 . . . . . 142 SER C . 27885 1 667 . 1 . 1 142 142 SER CA C 13 58.312 0.188 . 1 . . . . . 142 SER CA . 27885 1 668 . 1 . 1 142 142 SER CB C 13 63.960 0.234 . 1 . . . . . 142 SER CB . 27885 1 669 . 1 . 1 142 142 SER N N 15 117.939 0.047 . 1 . . . . . 142 SER N . 27885 1 670 . 1 . 1 143 143 GLU H H 1 8.263 0.003 . 1 . . . . . 143 GLU H . 27885 1 671 . 1 . 1 143 143 GLU C C 13 174.447 0.188 . 1 . . . . . 143 GLU C . 27885 1 672 . 1 . 1 143 143 GLU CA C 13 54.477 0.188 . 1 . . . . . 143 GLU CA . 27885 1 673 . 1 . 1 143 143 GLU CB C 13 29.683 0.234 . 1 . . . . . 143 GLU CB . 27885 1 674 . 1 . 1 143 143 GLU N N 15 123.685 0.047 . 1 . . . . . 143 GLU N . 27885 1 675 . 1 . 1 144 144 PRO C C 13 177.054 0.188 . 1 . . . . . 144 PRO C . 27885 1 676 . 1 . 1 144 144 PRO CA C 13 63.120 0.188 . 1 . . . . . 144 PRO CA . 27885 1 677 . 1 . 1 144 144 PRO CB C 13 32.060 0.234 . 1 . . . . . 144 PRO CB . 27885 1 678 . 1 . 1 145 145 VAL H H 1 8.320 0.003 . 1 . . . . . 145 VAL H . 27885 1 679 . 1 . 1 145 145 VAL C C 13 176.574 0.188 . 1 . . . . . 145 VAL C . 27885 1 680 . 1 . 1 145 145 VAL CA C 13 62.587 0.188 . 1 . . . . . 145 VAL CA . 27885 1 681 . 1 . 1 145 145 VAL CB C 13 32.621 0.234 . 1 . . . . . 145 VAL CB . 27885 1 682 . 1 . 1 145 145 VAL N N 15 120.471 0.047 . 1 . . . . . 145 VAL N . 27885 1 683 . 1 . 1 146 146 THR H H 1 8.154 0.003 . 1 . . . . . 146 THR H . 27885 1 684 . 1 . 1 146 146 THR C C 13 174.261 0.188 . 1 . . . . . 146 THR C . 27885 1 685 . 1 . 1 146 146 THR CA C 13 61.617 0.188 . 1 . . . . . 146 THR CA . 27885 1 686 . 1 . 1 146 146 THR CB C 13 69.869 0.234 . 1 . . . . . 146 THR CB . 27885 1 687 . 1 . 1 146 146 THR N N 15 117.083 0.047 . 1 . . . . . 146 THR N . 27885 1 688 . 1 . 1 147 147 SER H H 1 8.240 0.003 . 1 . . . . . 147 SER H . 27885 1 689 . 1 . 1 147 147 SER C C 13 173.107 0.188 . 1 . . . . . 147 SER C . 27885 1 690 . 1 . 1 147 147 SER CA C 13 56.258 0.188 . 1 . . . . . 147 SER CA . 27885 1 691 . 1 . 1 147 147 SER CB C 13 63.799 0.234 . 1 . . . . . 147 SER CB . 27885 1 692 . 1 . 1 147 147 SER N N 15 119.200 0.047 . 1 . . . . . 147 SER N . 27885 1 693 . 1 . 1 148 148 PRO C C 13 176.846 0.188 . 1 . . . . . 148 PRO C . 27885 1 694 . 1 . 1 148 148 PRO CA C 13 63.430 0.188 . 1 . . . . . 148 PRO CA . 27885 1 695 . 1 . 1 148 148 PRO CB C 13 32.028 0.234 . 1 . . . . . 148 PRO CB . 27885 1 696 . 1 . 1 149 149 LEU H H 1 8.166 0.003 . 1 . . . . . 149 LEU H . 27885 1 697 . 1 . 1 149 149 LEU C C 13 177.445 0.188 . 1 . . . . . 149 LEU C . 27885 1 698 . 1 . 1 149 149 LEU CA C 13 55.328 0.188 . 1 . . . . . 149 LEU CA . 27885 1 699 . 1 . 1 149 149 LEU CB C 13 42.163 0.234 . 1 . . . . . 149 LEU CB . 27885 1 700 . 1 . 1 149 149 LEU N N 15 121.145 0.047 . 1 . . . . . 149 LEU N . 27885 1 701 . 1 . 1 150 150 ARG H H 1 8.232 0.003 . 1 . . . . . 150 ARG H . 27885 1 702 . 1 . 1 150 150 ARG C C 13 176.277 0.188 . 1 . . . . . 150 ARG C . 27885 1 703 . 1 . 1 150 150 ARG CA C 13 55.957 0.188 . 1 . . . . . 150 ARG CA . 27885 1 704 . 1 . 1 150 150 ARG CB C 13 30.749 0.234 . 1 . . . . . 150 ARG CB . 27885 1 705 . 1 . 1 150 150 ARG N N 15 121.512 0.047 . 1 . . . . . 150 ARG N . 27885 1 706 . 1 . 1 151 151 THR H H 1 8.118 0.003 . 1 . . . . . 151 THR H . 27885 1 707 . 1 . 1 151 151 THR C C 13 174.317 0.188 . 1 . . . . . 151 THR C . 27885 1 708 . 1 . 1 151 151 THR CA C 13 61.585 0.188 . 1 . . . . . 151 THR CA . 27885 1 709 . 1 . 1 151 151 THR CB C 13 69.954 0.234 . 1 . . . . . 151 THR CB . 27885 1 710 . 1 . 1 151 151 THR N N 15 115.122 0.047 . 1 . . . . . 151 THR N . 27885 1 711 . 1 . 1 152 152 THR H H 1 8.194 0.003 . 1 . . . . . 152 THR H . 27885 1 712 . 1 . 1 152 152 THR C C 13 172.990 0.188 . 1 . . . . . 152 THR C . 27885 1 713 . 1 . 1 152 152 THR CA C 13 59.775 0.188 . 1 . . . . . 152 THR CA . 27885 1 714 . 1 . 1 152 152 THR CB C 13 69.820 0.234 . 1 . . . . . 152 THR CB . 27885 1 715 . 1 . 1 152 152 THR N N 15 118.618 0.047 . 1 . . . . . 152 THR N . 27885 1 716 . 1 . 1 153 153 PRO C C 13 176.976 0.188 . 1 . . . . . 153 PRO C . 27885 1 717 . 1 . 1 153 153 PRO CA C 13 63.653 0.188 . 1 . . . . . 153 PRO CA . 27885 1 718 . 1 . 1 153 153 PRO CB C 13 32.070 0.234 . 1 . . . . . 153 PRO CB . 27885 1 719 . 1 . 1 154 154 ASN H H 1 8.512 0.003 . 1 . . . . . 154 ASN H . 27885 1 720 . 1 . 1 154 154 ASN C C 13 175.551 0.188 . 1 . . . . . 154 ASN C . 27885 1 721 . 1 . 1 154 154 ASN CA C 13 53.690 0.188 . 1 . . . . . 154 ASN CA . 27885 1 722 . 1 . 1 154 154 ASN CB C 13 38.689 0.234 . 1 . . . . . 154 ASN CB . 27885 1 723 . 1 . 1 154 154 ASN N N 15 118.264 0.047 . 1 . . . . . 154 ASN N . 27885 1 724 . 1 . 1 155 155 SER H H 1 8.193 0.003 . 1 . . . . . 155 SER H . 27885 1 725 . 1 . 1 155 155 SER C C 13 174.811 0.188 . 1 . . . . . 155 SER C . 27885 1 726 . 1 . 1 155 155 SER CA C 13 58.787 0.188 . 1 . . . . . 155 SER CA . 27885 1 727 . 1 . 1 155 155 SER CB C 13 63.789 0.234 . 1 . . . . . 155 SER CB . 27885 1 728 . 1 . 1 155 155 SER N N 15 116.010 0.047 . 1 . . . . . 155 SER N . 27885 1 729 . 1 . 1 156 156 ILE H H 1 8.035 0.003 . 1 . . . . . 156 ILE H . 27885 1 730 . 1 . 1 156 156 ILE C C 13 176.466 0.188 . 1 . . . . . 156 ILE C . 27885 1 731 . 1 . 1 156 156 ILE CA C 13 61.624 0.188 . 1 . . . . . 156 ILE CA . 27885 1 732 . 1 . 1 156 156 ILE CB C 13 38.458 0.234 . 1 . . . . . 156 ILE CB . 27885 1 733 . 1 . 1 156 156 ILE N N 15 122.537 0.047 . 1 . . . . . 156 ILE N . 27885 1 734 . 1 . 1 157 157 LYS H H 1 8.249 0.003 . 1 . . . . . 157 LYS H . 27885 1 735 . 1 . 1 157 157 LYS C C 13 176.663 0.188 . 1 . . . . . 157 LYS C . 27885 1 736 . 1 . 1 157 157 LYS CA C 13 56.616 0.188 . 1 . . . . . 157 LYS CA . 27885 1 737 . 1 . 1 157 157 LYS CB C 13 32.773 0.234 . 1 . . . . . 157 LYS CB . 27885 1 738 . 1 . 1 157 157 LYS N N 15 124.790 0.047 . 1 . . . . . 157 LYS N . 27885 1 739 . 1 . 1 158 158 ARG H H 1 8.267 0.003 . 1 . . . . . 158 ARG H . 27885 1 740 . 1 . 1 158 158 ARG C C 13 176.417 0.188 . 1 . . . . . 158 ARG C . 27885 1 741 . 1 . 1 158 158 ARG CA C 13 56.216 0.188 . 1 . . . . . 158 ARG CA . 27885 1 742 . 1 . 1 158 158 ARG CB C 13 30.689 0.234 . 1 . . . . . 158 ARG CB . 27885 1 743 . 1 . 1 158 158 ARG N N 15 122.165 0.047 . 1 . . . . . 158 ARG N . 27885 1 744 . 1 . 1 159 159 GLN H H 1 8.354 0.003 . 1 . . . . . 159 GLN H . 27885 1 745 . 1 . 1 159 159 GLN C C 13 175.986 0.188 . 1 . . . . . 159 GLN C . 27885 1 746 . 1 . 1 159 159 GLN CA C 13 55.966 0.188 . 1 . . . . . 159 GLN CA . 27885 1 747 . 1 . 1 159 159 GLN CB C 13 29.574 0.234 . 1 . . . . . 159 GLN CB . 27885 1 748 . 1 . 1 159 159 GLN N N 15 121.733 0.047 . 1 . . . . . 159 GLN N . 27885 1 749 . 1 . 1 160 160 LYS H H 1 8.377 0.003 . 1 . . . . . 160 LYS H . 27885 1 750 . 1 . 1 160 160 LYS C C 13 176.399 0.188 . 1 . . . . . 160 LYS C . 27885 1 751 . 1 . 1 160 160 LYS CA C 13 56.594 0.188 . 1 . . . . . 160 LYS CA . 27885 1 752 . 1 . 1 160 160 LYS CB C 13 33.007 0.234 . 1 . . . . . 160 LYS CB . 27885 1 753 . 1 . 1 160 160 LYS N N 15 123.142 0.047 . 1 . . . . . 160 LYS N . 27885 1 754 . 1 . 1 161 161 ARG H H 1 8.323 0.003 . 1 . . . . . 161 ARG H . 27885 1 755 . 1 . 1 161 161 ARG C C 13 175.740 0.188 . 1 . . . . . 161 ARG C . 27885 1 756 . 1 . 1 161 161 ARG CA C 13 56.060 0.188 . 1 . . . . . 161 ARG CA . 27885 1 757 . 1 . 1 161 161 ARG CB C 13 30.778 0.234 . 1 . . . . . 161 ARG CB . 27885 1 758 . 1 . 1 161 161 ARG N N 15 122.542 0.047 . 1 . . . . . 161 ARG N . 27885 1 759 . 1 . 1 162 162 LEU H H 1 8.230 0.003 . 1 . . . . . 162 LEU H . 27885 1 760 . 1 . 1 162 162 LEU C C 13 176.679 0.188 . 1 . . . . . 162 LEU C . 27885 1 761 . 1 . 1 162 162 LEU CA C 13 54.892 0.188 . 1 . . . . . 162 LEU CA . 27885 1 762 . 1 . 1 162 162 LEU CB C 13 42.552 0.234 . 1 . . . . . 162 LEU CB . 27885 1 763 . 1 . 1 162 162 LEU N N 15 123.678 0.047 . 1 . . . . . 162 LEU N . 27885 1 764 . 1 . 1 163 163 PHE H H 1 8.222 0.003 . 1 . . . . . 163 PHE H . 27885 1 765 . 1 . 1 163 163 PHE C C 13 175.205 0.188 . 1 . . . . . 163 PHE C . 27885 1 766 . 1 . 1 163 163 PHE CA C 13 57.533 0.188 . 1 . . . . . 163 PHE CA . 27885 1 767 . 1 . 1 163 163 PHE CB C 13 39.927 0.234 . 1 . . . . . 163 PHE CB . 27885 1 768 . 1 . 1 163 163 PHE N N 15 121.508 0.047 . 1 . . . . . 163 PHE N . 27885 1 769 . 1 . 1 164 164 LYS H H 1 8.211 0.003 . 1 . . . . . 164 LYS H . 27885 1 770 . 1 . 1 164 164 LYS C C 13 175.738 0.188 . 1 . . . . . 164 LYS C . 27885 1 771 . 1 . 1 164 164 LYS CA C 13 55.791 0.188 . 1 . . . . . 164 LYS CA . 27885 1 772 . 1 . 1 164 164 LYS CB C 13 33.301 0.234 . 1 . . . . . 164 LYS CB . 27885 1 773 . 1 . 1 164 164 LYS N N 15 123.616 0.047 . 1 . . . . . 164 LYS N . 27885 1 774 . 1 . 1 165 165 SER H H 1 8.321 0.003 . 1 . . . . . 165 SER H . 27885 1 775 . 1 . 1 165 165 SER C C 13 172.964 0.188 . 1 . . . . . 165 SER C . 27885 1 776 . 1 . 1 165 165 SER CA C 13 56.470 0.188 . 1 . . . . . 165 SER CA . 27885 1 777 . 1 . 1 165 165 SER CB C 13 63.556 0.234 . 1 . . . . . 165 SER CB . 27885 1 778 . 1 . 1 165 165 SER N N 15 119.103 0.047 . 1 . . . . . 165 SER N . 27885 1 779 . 1 . 1 166 166 PRO C C 13 176.870 0.188 . 1 . . . . . 166 PRO C . 27885 1 780 . 1 . 1 166 166 PRO CA C 13 63.335 0.188 . 1 . . . . . 166 PRO CA . 27885 1 781 . 1 . 1 166 166 PRO CB C 13 32.049 0.234 . 1 . . . . . 166 PRO CB . 27885 1 782 . 1 . 1 167 167 ILE H H 1 8.113 0.003 . 1 . . . . . 167 ILE H . 27885 1 783 . 1 . 1 167 167 ILE C C 13 176.333 0.188 . 1 . . . . . 167 ILE C . 27885 1 784 . 1 . 1 167 167 ILE CA C 13 61.229 0.188 . 1 . . . . . 167 ILE CA . 27885 1 785 . 1 . 1 167 167 ILE CB C 13 38.712 0.234 . 1 . . . . . 167 ILE CB . 27885 1 786 . 1 . 1 167 167 ILE N N 15 120.214 0.047 . 1 . . . . . 167 ILE N . 27885 1 787 . 1 . 1 168 168 SER H H 1 8.275 0.003 . 1 . . . . . 168 SER H . 27885 1 788 . 1 . 1 168 168 SER C C 13 174.253 0.188 . 1 . . . . . 168 SER C . 27885 1 789 . 1 . 1 168 168 SER CA C 13 58.234 0.188 . 1 . . . . . 168 SER CA . 27885 1 790 . 1 . 1 168 168 SER CB C 13 63.994 0.234 . 1 . . . . . 168 SER CB . 27885 1 791 . 1 . 1 168 168 SER N N 15 119.330 0.047 . 1 . . . . . 168 SER N . 27885 1 792 . 1 . 1 169 169 ASN H H 1 8.465 0.003 . 1 . . . . . 169 ASN H . 27885 1 793 . 1 . 1 169 169 ASN C C 13 175.025 0.188 . 1 . . . . . 169 ASN C . 27885 1 794 . 1 . 1 169 169 ASN CA C 13 53.305 0.188 . 1 . . . . . 169 ASN CA . 27885 1 795 . 1 . 1 169 169 ASN CB C 13 38.767 0.234 . 1 . . . . . 169 ASN CB . 27885 1 796 . 1 . 1 169 169 ASN N N 15 121.085 0.047 . 1 . . . . . 169 ASN N . 27885 1 797 . 1 . 1 170 170 CYS H H 1 8.247 0.003 . 1 . . . . . 170 CYS H . 27885 1 798 . 1 . 1 170 170 CYS C C 13 174.319 0.188 . 1 . . . . . 170 CYS C . 27885 1 799 . 1 . 1 170 170 CYS CA C 13 58.561 0.188 . 1 . . . . . 170 CYS CA . 27885 1 800 . 1 . 1 170 170 CYS CB C 13 27.858 0.234 . 1 . . . . . 170 CYS CB . 27885 1 801 . 1 . 1 170 170 CYS N N 15 119.099 0.047 . 1 . . . . . 170 CYS N . 27885 1 802 . 1 . 1 171 171 LEU H H 1 8.311 0.003 . 1 . . . . . 171 LEU H . 27885 1 803 . 1 . 1 171 171 LEU C C 13 176.715 0.188 . 1 . . . . . 171 LEU C . 27885 1 804 . 1 . 1 171 171 LEU CA C 13 55.358 0.188 . 1 . . . . . 171 LEU CA . 27885 1 805 . 1 . 1 171 171 LEU CB C 13 42.285 0.234 . 1 . . . . . 171 LEU CB . 27885 1 806 . 1 . 1 171 171 LEU N N 15 124.192 0.047 . 1 . . . . . 171 LEU N . 27885 1 807 . 1 . 1 172 172 ASN H H 1 8.319 0.003 . 1 . . . . . 172 ASN H . 27885 1 808 . 1 . 1 172 172 ASN C C 13 172.925 0.188 . 1 . . . . . 172 ASN C . 27885 1 809 . 1 . 1 172 172 ASN CA C 13 51.293 0.188 . 1 . . . . . 172 ASN CA . 27885 1 810 . 1 . 1 172 172 ASN CB C 13 38.901 0.234 . 1 . . . . . 172 ASN CB . 27885 1 811 . 1 . 1 172 172 ASN N N 15 119.788 0.047 . 1 . . . . . 172 ASN N . 27885 1 812 . 1 . 1 173 173 PRO C C 13 176.738 0.188 . 1 . . . . . 173 PRO C . 27885 1 813 . 1 . 1 173 173 PRO CA C 13 63.339 0.188 . 1 . . . . . 173 PRO CA . 27885 1 814 . 1 . 1 173 173 PRO CB C 13 32.130 0.234 . 1 . . . . . 173 PRO CB . 27885 1 815 . 1 . 1 174 174 LYS H H 1 8.326 0.003 . 1 . . . . . 174 LYS H . 27885 1 816 . 1 . 1 174 174 LYS C C 13 176.486 0.188 . 1 . . . . . 174 LYS C . 27885 1 817 . 1 . 1 174 174 LYS CA C 13 56.210 0.188 . 1 . . . . . 174 LYS CA . 27885 1 818 . 1 . 1 174 174 LYS CB C 13 33.136 0.234 . 1 . . . . . 174 LYS CB . 27885 1 819 . 1 . 1 174 174 LYS N N 15 121.445 0.047 . 1 . . . . . 174 LYS N . 27885 1 820 . 1 . 1 175 175 SER H H 1 8.373 0.003 . 1 . . . . . 175 SER H . 27885 1 821 . 1 . 1 175 175 SER C C 13 173.341 0.188 . 1 . . . . . 175 SER C . 27885 1 822 . 1 . 1 175 175 SER CA C 13 58.219 0.188 . 1 . . . . . 175 SER CA . 27885 1 823 . 1 . 1 175 175 SER CB C 13 64.238 0.234 . 1 . . . . . 175 SER CB . 27885 1 824 . 1 . 1 175 175 SER N N 15 118.103 0.047 . 1 . . . . . 175 SER N . 27885 1 825 . 1 . 1 176 176 ASP H H 1 8.031 0.003 . 1 . . . . . 176 ASP H . 27885 1 826 . 1 . 1 176 176 ASP C C 13 180.790 0.188 . 1 . . . . . 176 ASP C . 27885 1 827 . 1 . 1 176 176 ASP CA C 13 55.795 0.188 . 1 . . . . . 176 ASP CA . 27885 1 828 . 1 . 1 176 176 ASP CB C 13 42.137 0.234 . 1 . . . . . 176 ASP CB . 27885 1 829 . 1 . 1 176 176 ASP N N 15 127.957 0.047 . 1 . . . . . 176 ASP N . 27885 1 stop_ save_