data_51723 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51723 _Entry.Title ; 1H, 13C, 15N chemical shift assignments for soluble domain of Rieske iron-sulfur protein from Chlorobaculum tepidum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-12-07 _Entry.Accession_date 2022-12-07 _Entry.Last_release_date 2022-12-07 _Entry.Original_release_date 2022-12-07 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Hiraku Kishimoto . . . 0000-0003-3748-550X 51723 2 Risa Mutoh . . . . 51723 3 Yohei Miyanoiri . . . . 51723 4 Hideaki Tanaka . . . . 51723 5 Genji Kurisu . . . . 51723 6 Hirozo Oh-oka . . . 0000-0003-1866-7383 51723 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 7 51723 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1338 51723 '15N chemical shifts' 609 51723 '1H chemical shifts' 609 51723 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 . . 2023-06-26 2022-12-07 update BMRB 'update entry citation' 51723 1 . . 2023-05-24 2022-12-07 original author 'original release' 51723 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51723 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37180033 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Soluble domains of cytochrome c-556 and Rieske iron-sulfur protein from Chlorobaculum tepidu m: Crystal structures and interaction analysis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Curr. Res. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 5 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 100101 _Citation.Page_last 100101 _Citation.Year 2023 _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 Hiraku Kishimoto . . . . 51723 1 2 Chihiro Azai . . . . 51723 1 3 Tomoya Yamamoto . . . . 51723 1 4 Risa Mutoh . . . . 51723 1 5 Tetsuko Nakaniwa . . . . 51723 1 6 Hideaki Tanaka . . . . 51723 1 7 Yohei Miyanoiri . . . . 51723 1 8 Genji Kurisu . . . . 51723 1 9 Hirozo Oh-oka . . . . 51723 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'green sulfur bacteria, cytochrome c-556, Rieske iron-sulfur protein, menaquinol/cytochrome c oxidoreductase, electron transfer' 51723 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51723 _Assembly.ID 1 _Assembly.Name 'Rieske iron-sulfur protein' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Rieske protein' 1 $entity_1 . . yes native no no . . . 51723 1 2 [2Fe-2S] 2 $entity_FES . . no native no no . . . 51723 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 54 54 SG . 1 . 1 CYS 69 69 SG . . . 129 CYS SG . . . 144 CYS SG 51723 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51723 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AKKIKIVNELAVGPASDVPN GTGKIYQFNDDKVIVVNHGG SLTAVSAICTHLGCLVHWDE AADMIACPCHGAKYRQDGKI ISGPQPLPLKQYKVKIEDGK IVVSIAKLAAALEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 182-194 is Histidine tag. This is the soluble domain (Residues 76-181) of a transmembrane protein. ; _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'disulfide and other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12798 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Electron transport' 51723 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 76 ALA . 51723 1 2 77 LYS . 51723 1 3 78 LYS . 51723 1 4 79 ILE . 51723 1 5 80 LYS . 51723 1 6 81 ILE . 51723 1 7 82 VAL . 51723 1 8 83 ASN . 51723 1 9 84 GLU . 51723 1 10 85 LEU . 51723 1 11 86 ALA . 51723 1 12 87 VAL . 51723 1 13 88 GLY . 51723 1 14 89 PRO . 51723 1 15 90 ALA . 51723 1 16 91 SER . 51723 1 17 92 ASP . 51723 1 18 93 VAL . 51723 1 19 94 PRO . 51723 1 20 95 ASN . 51723 1 21 96 GLY . 51723 1 22 97 THR . 51723 1 23 98 GLY . 51723 1 24 99 LYS . 51723 1 25 100 ILE . 51723 1 26 101 TYR . 51723 1 27 102 GLN . 51723 1 28 103 PHE . 51723 1 29 104 ASN . 51723 1 30 105 ASP . 51723 1 31 106 ASP . 51723 1 32 107 LYS . 51723 1 33 108 VAL . 51723 1 34 109 ILE . 51723 1 35 110 VAL . 51723 1 36 111 VAL . 51723 1 37 112 ASN . 51723 1 38 113 HIS . 51723 1 39 114 GLY . 51723 1 40 115 GLY . 51723 1 41 116 SER . 51723 1 42 117 LEU . 51723 1 43 118 THR . 51723 1 44 119 ALA . 51723 1 45 120 VAL . 51723 1 46 121 SER . 51723 1 47 122 ALA . 51723 1 48 123 ILE . 51723 1 49 124 CYS . 51723 1 50 125 THR . 51723 1 51 126 HIS . 51723 1 52 127 LEU . 51723 1 53 128 GLY . 51723 1 54 129 CYS . 51723 1 55 130 LEU . 51723 1 56 131 VAL . 51723 1 57 132 HIS . 51723 1 58 133 TRP . 51723 1 59 134 ASP . 51723 1 60 135 GLU . 51723 1 61 136 ALA . 51723 1 62 137 ALA . 51723 1 63 138 ASP . 51723 1 64 139 MET . 51723 1 65 140 ILE . 51723 1 66 141 ALA . 51723 1 67 142 CYS . 51723 1 68 143 PRO . 51723 1 69 144 CYS . 51723 1 70 145 HIS . 51723 1 71 146 GLY . 51723 1 72 147 ALA . 51723 1 73 148 LYS . 51723 1 74 149 TYR . 51723 1 75 150 ARG . 51723 1 76 151 GLN . 51723 1 77 152 ASP . 51723 1 78 153 GLY . 51723 1 79 154 LYS . 51723 1 80 155 ILE . 51723 1 81 156 ILE . 51723 1 82 157 SER . 51723 1 83 158 GLY . 51723 1 84 159 PRO . 51723 1 85 160 GLN . 51723 1 86 161 PRO . 51723 1 87 162 LEU . 51723 1 88 163 PRO . 51723 1 89 164 LEU . 51723 1 90 165 LYS . 51723 1 91 166 GLN . 51723 1 92 167 TYR . 51723 1 93 168 LYS . 51723 1 94 169 VAL . 51723 1 95 170 LYS . 51723 1 96 171 ILE . 51723 1 97 172 GLU . 51723 1 98 173 ASP . 51723 1 99 174 GLY . 51723 1 100 175 LYS . 51723 1 101 176 ILE . 51723 1 102 177 VAL . 51723 1 103 178 VAL . 51723 1 104 179 SER . 51723 1 105 180 ILE . 51723 1 106 181 ALA . 51723 1 107 182 LYS . 51723 1 108 183 LEU . 51723 1 109 184 ALA . 51723 1 110 185 ALA . 51723 1 111 186 ALA . 51723 1 112 187 LEU . 51723 1 113 188 GLU . 51723 1 114 189 HIS . 51723 1 115 190 HIS . 51723 1 116 191 HIS . 51723 1 117 192 HIS . 51723 1 118 193 HIS . 51723 1 119 194 HIS . 51723 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 . ALA 1 1 51723 1 . LYS 2 2 51723 1 . LYS 3 3 51723 1 . ILE 4 4 51723 1 . LYS 5 5 51723 1 . ILE 6 6 51723 1 . VAL 7 7 51723 1 . ASN 8 8 51723 1 . GLU 9 9 51723 1 . LEU 10 10 51723 1 . ALA 11 11 51723 1 . VAL 12 12 51723 1 . GLY 13 13 51723 1 . PRO 14 14 51723 1 . ALA 15 15 51723 1 . SER 16 16 51723 1 . ASP 17 17 51723 1 . VAL 18 18 51723 1 . PRO 19 19 51723 1 . ASN 20 20 51723 1 . GLY 21 21 51723 1 . THR 22 22 51723 1 . GLY 23 23 51723 1 . LYS 24 24 51723 1 . ILE 25 25 51723 1 . TYR 26 26 51723 1 . GLN 27 27 51723 1 . PHE 28 28 51723 1 . ASN 29 29 51723 1 . ASP 30 30 51723 1 . ASP 31 31 51723 1 . LYS 32 32 51723 1 . VAL 33 33 51723 1 . ILE 34 34 51723 1 . VAL 35 35 51723 1 . VAL 36 36 51723 1 . ASN 37 37 51723 1 . HIS 38 38 51723 1 . GLY 39 39 51723 1 . GLY 40 40 51723 1 . SER 41 41 51723 1 . LEU 42 42 51723 1 . THR 43 43 51723 1 . ALA 44 44 51723 1 . VAL 45 45 51723 1 . SER 46 46 51723 1 . ALA 47 47 51723 1 . ILE 48 48 51723 1 . CYS 49 49 51723 1 . THR 50 50 51723 1 . HIS 51 51 51723 1 . LEU 52 52 51723 1 . GLY 53 53 51723 1 . CYS 54 54 51723 1 . LEU 55 55 51723 1 . VAL 56 56 51723 1 . HIS 57 57 51723 1 . TRP 58 58 51723 1 . ASP 59 59 51723 1 . GLU 60 60 51723 1 . ALA 61 61 51723 1 . ALA 62 62 51723 1 . ASP 63 63 51723 1 . MET 64 64 51723 1 . ILE 65 65 51723 1 . ALA 66 66 51723 1 . CYS 67 67 51723 1 . PRO 68 68 51723 1 . CYS 69 69 51723 1 . HIS 70 70 51723 1 . GLY 71 71 51723 1 . ALA 72 72 51723 1 . LYS 73 73 51723 1 . TYR 74 74 51723 1 . ARG 75 75 51723 1 . GLN 76 76 51723 1 . ASP 77 77 51723 1 . GLY 78 78 51723 1 . LYS 79 79 51723 1 . ILE 80 80 51723 1 . ILE 81 81 51723 1 . SER 82 82 51723 1 . GLY 83 83 51723 1 . PRO 84 84 51723 1 . GLN 85 85 51723 1 . PRO 86 86 51723 1 . LEU 87 87 51723 1 . PRO 88 88 51723 1 . LEU 89 89 51723 1 . LYS 90 90 51723 1 . GLN 91 91 51723 1 . TYR 92 92 51723 1 . LYS 93 93 51723 1 . VAL 94 94 51723 1 . LYS 95 95 51723 1 . ILE 96 96 51723 1 . GLU 97 97 51723 1 . ASP 98 98 51723 1 . GLY 99 99 51723 1 . LYS 100 100 51723 1 . ILE 101 101 51723 1 . VAL 102 102 51723 1 . VAL 103 103 51723 1 . SER 104 104 51723 1 . ILE 105 105 51723 1 . ALA 106 106 51723 1 . LYS 107 107 51723 1 . LEU 108 108 51723 1 . ALA 109 109 51723 1 . ALA 110 110 51723 1 . ALA 111 111 51723 1 . LEU 112 112 51723 1 . GLU 113 113 51723 1 . HIS 114 114 51723 1 . HIS 115 115 51723 1 . HIS 116 116 51723 1 . HIS 117 117 51723 1 . HIS 118 118 51723 1 . HIS 119 119 51723 1 stop_ save_ save_entity_FES _Entity.Sf_category entity _Entity.Sf_framecode entity_FES _Entity.Entry_ID 51723 _Entity.ID 2 _Entity.BMRB_code FES _Entity.Name entity_FES _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID FES _Entity.Nonpolymer_comp_label $chem_comp_FES _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 175.820 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'FE2/S2 (INORGANIC) CLUSTER' BMRB 51723 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'FE2/S2 (INORGANIC) CLUSTER' BMRB 51723 2 FES 'Three letter code' 51723 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 FES $chem_comp_FES 51723 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51723 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1097 organism . 'Chlorobaculum tepidum' 'green sulfur bacteria' . . Bacteria . Chlorobaculum tepidum . . . . . . . . . . . petC . 51723 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51723 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET21a . . . 51723 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FES _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FES _Chem_comp.Entry_ID 51723 _Chem_comp.ID FES _Chem_comp.Provenance PDB _Chem_comp.Name 'FE2/S2 (INORGANIC) CLUSTER' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code FES _Chem_comp.PDB_code FES _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FES _Chem_comp.Number_atoms_all 4 _Chem_comp.Number_atoms_nh 4 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/2Fe.2S _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'Fe2 S2' _Chem_comp.Formula_weight 175.820 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1CZP _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/2Fe.2S InChI InChI 1.03 51723 FES NIXDOXVAJZFRNF-UHFFFAOYSA-N InChIKey InChI 1.03 51723 FES S1[Fe]S[Fe]1 SMILES CACTVS 3.341 51723 FES S1[Fe]S[Fe]1 SMILES 'OpenEye OEToolkits' 1.5.0 51723 FES S1[Fe]S[Fe]1 SMILES_CANONICAL CACTVS 3.341 51723 FES S1[Fe]S[Fe]1 SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51723 FES [Fe]1S[Fe]S1 SMILES ACDLabs 10.04 51723 FES stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51723 FES di-mu-sulfidediiron 'SYSTEMATIC NAME' ACDLabs 10.04 51723 FES stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID FE1 FE1 FE1 FE1 . FE . . N 0 . . . 0 N N . . . . 16.237 . 5.409 . 27.398 . 0.000 -0.213 -1.531 1 . 51723 FES FE2 FE2 FE2 FE2 . FE . . N 0 . . . 0 N N . . . . 16.361 . 2.666 . 27.488 . 0.000 -0.213 1.531 2 . 51723 FES S1 S1 S1 S1 . S . . N 0 . . . 1 N N . . . . 17.422 . 4.079 . 28.829 . 1.461 0.372 0.000 3 . 51723 FES S2 S2 S2 S2 . S . . N 0 . . . 1 N N . . . . 15.380 . 3.919 . 25.972 . -1.461 0.372 0.000 4 . 51723 FES stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING FE1 S1 N N 1 . 51723 FES 2 . SING FE1 S2 N N 2 . 51723 FES 3 . SING FE2 S1 N N 3 . 51723 FES 4 . SING FE2 S2 N N 4 . 51723 FES stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51723 _Sample.ID 1 _Sample.Name 'Soluble domain of Rieske iron-sulfur protein' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'Rieske iron-sulfur protein' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.36 . . mM . . . . 51723 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 51723 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51723 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 51723 _Sample_condition_list.ID 1 _Sample_condition_list.Name condition_1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 51723 1 pH 7.5 . pH 51723 1 pressure 1 . atm 51723 1 temperature 298 . K 51723 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51723 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51723 1 'peak picking' . 51723 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51723 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Avance III HD 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51723 _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' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51723 1 2 '3D HNCACB' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51723 1 3 '3D CBCA(CO)NH' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51723 1 4 '3D HNCA' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51723 1 5 '3D HN(CO)CA' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51723 1 6 '3D HNCO' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51723 1 7 '3D HN(CA)CO' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51723 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' 15NHSQC . 'Time-domain (raw spectral data)' . . 51723 1 2 '3D HNCACB' HNCACB . 'Time-domain (raw spectral data)' . . 51723 1 3 '3D CBCA(CO)NH' CBCACONH . 'Time-domain (raw spectral data)' . . 51723 1 4 '3D HNCA' HNCA . 'Time-domain (raw spectral data)' . . 51723 1 5 '3D HN(CO)CA' HNCOCA . 'Time-domain (raw spectral data)' . . 51723 1 6 '3D HNCO' HNCO . 'Time-domain (raw spectral data)' . . 51723 1 7 '3D HN(CA)CO' HNCACO . 'Time-domain (raw spectral data)' . . 51723 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51723 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference_1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51723 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51723 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51723 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51723 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51723 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51723 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 4 4 ILE H H 1 8.202 . . . . . . . . 79 ILE H . 51723 1 2 . 1 . 1 4 4 ILE N N 15 123.064 . . . . . . . . 79 ILE N . 51723 1 3 . 1 . 1 5 5 LYS H H 1 8.365 . . . . . . . . 80 LYS H . 51723 1 4 . 1 . 1 5 5 LYS N N 15 126.593 . . . . . . . . 80 LYS N . 51723 1 5 . 1 . 1 6 6 ILE H H 1 8.191 . . . . . . . . 81 ILE H . 51723 1 6 . 1 . 1 6 6 ILE N N 15 124.693 . . . . . . . . 81 ILE N . 51723 1 7 . 1 . 1 7 7 VAL H H 1 8.616 . . . . . . . . 82 VAL H . 51723 1 8 . 1 . 1 7 7 VAL N N 15 123.781 . . . . . . . . 82 VAL N . 51723 1 9 . 1 . 1 9 9 GLU H H 1 7.531 . . . . . . . . 84 GLU H . 51723 1 10 . 1 . 1 9 9 GLU N N 15 116.607 . . . . . . . . 84 GLU N . 51723 1 11 . 1 . 1 10 10 LEU H H 1 9.062 . . . . . . . . 85 LEU H . 51723 1 12 . 1 . 1 10 10 LEU N N 15 123.974 . . . . . . . . 85 LEU N . 51723 1 13 . 1 . 1 11 11 ALA H H 1 8.646 . . . . . . . . 86 ALA H . 51723 1 14 . 1 . 1 11 11 ALA N N 15 129.008 . . . . . . . . 86 ALA N . 51723 1 15 . 1 . 1 12 12 VAL H H 1 8.377 . . . . . . . . 87 VAL H . 51723 1 16 . 1 . 1 12 12 VAL N N 15 118.682 . . . . . . . . 87 VAL N . 51723 1 17 . 1 . 1 13 13 GLY H H 1 6.997 . . . . . . . . 88 GLY H . 51723 1 18 . 1 . 1 13 13 GLY N N 15 105.998 . . . . . . . . 88 GLY N . 51723 1 19 . 1 . 1 15 15 ALA H H 1 8.487 . . . . . . . . 90 ALA H . 51723 1 20 . 1 . 1 15 15 ALA N N 15 123.430 . . . . . . . . 90 ALA N . 51723 1 21 . 1 . 1 16 16 SER H H 1 8.017 . . . . . . . . 91 SER H . 51723 1 22 . 1 . 1 16 16 SER N N 15 110.370 . . . . . . . . 91 SER N . 51723 1 23 . 1 . 1 17 17 ASP H H 1 7.958 . . . . . . . . 92 ASP H . 51723 1 24 . 1 . 1 17 17 ASP N N 15 121.428 . . . . . . . . 92 ASP N . 51723 1 25 . 1 . 1 18 18 VAL H H 1 6.974 . . . . . . . . 93 VAL H . 51723 1 26 . 1 . 1 18 18 VAL N N 15 113.996 . . . . . . . . 93 VAL N . 51723 1 27 . 1 . 1 20 20 ASN H H 1 8.551 . . . . . . . . 95 ASN H . 51723 1 28 . 1 . 1 20 20 ASN N N 15 117.579 . . . . . . . . 95 ASN N . 51723 1 29 . 1 . 1 21 21 GLY H H 1 9.208 . . . . . . . . 96 GLY H . 51723 1 30 . 1 . 1 21 21 GLY N N 15 114.803 . . . . . . . . 96 GLY N . 51723 1 31 . 1 . 1 22 22 THR H H 1 7.786 . . . . . . . . 97 THR H . 51723 1 32 . 1 . 1 22 22 THR N N 15 110.834 . . . . . . . . 97 THR N . 51723 1 33 . 1 . 1 23 23 GLY H H 1 8.383 . . . . . . . . 98 GLY H . 51723 1 34 . 1 . 1 23 23 GLY N N 15 104.342 . . . . . . . . 98 GLY N . 51723 1 35 . 1 . 1 24 24 LYS H H 1 8.906 . . . . . . . . 99 LYS H . 51723 1 36 . 1 . 1 24 24 LYS N N 15 125.073 . . . . . . . . 99 LYS N . 51723 1 37 . 1 . 1 25 25 ILE H H 1 7.977 . . . . . . . . 100 ILE H . 51723 1 38 . 1 . 1 25 25 ILE N N 15 124.303 . . . . . . . . 100 ILE N . 51723 1 39 . 1 . 1 26 26 TYR H H 1 9.338 . . . . . . . . 101 TYR H . 51723 1 40 . 1 . 1 26 26 TYR N N 15 125.280 . . . . . . . . 101 TYR N . 51723 1 41 . 1 . 1 27 27 GLN H H 1 8.844 . . . . . . . . 102 GLN H . 51723 1 42 . 1 . 1 27 27 GLN N N 15 122.623 . . . . . . . . 102 GLN N . 51723 1 43 . 1 . 1 28 28 PHE H H 1 8.437 . . . . . . . . 103 PHE H . 51723 1 44 . 1 . 1 28 28 PHE N N 15 126.357 . . . . . . . . 103 PHE N . 51723 1 45 . 1 . 1 29 29 ASN H H 1 8.866 . . . . . . . . 104 ASN H . 51723 1 46 . 1 . 1 29 29 ASN N N 15 123.945 . . . . . . . . 104 ASN N . 51723 1 47 . 1 . 1 30 30 ASP H H 1 8.605 . . . . . . . . 105 ASP H . 51723 1 48 . 1 . 1 30 30 ASP N N 15 122.098 . . . . . . . . 105 ASP N . 51723 1 49 . 1 . 1 31 31 ASP H H 1 8.376 . . . . . . . . 106 ASP H . 51723 1 50 . 1 . 1 31 31 ASP N N 15 122.252 . . . . . . . . 106 ASP N . 51723 1 51 . 1 . 1 32 32 LYS H H 1 8.669 . . . . . . . . 107 LYS H . 51723 1 52 . 1 . 1 32 32 LYS N N 15 120.521 . . . . . . . . 107 LYS N . 51723 1 53 . 1 . 1 33 33 VAL H H 1 9.397 . . . . . . . . 108 VAL H . 51723 1 54 . 1 . 1 33 33 VAL N N 15 120.153 . . . . . . . . 108 VAL N . 51723 1 55 . 1 . 1 34 34 ILE H H 1 9.689 . . . . . . . . 109 ILE H . 51723 1 56 . 1 . 1 34 34 ILE N N 15 124.405 . . . . . . . . 109 ILE N . 51723 1 57 . 1 . 1 35 35 VAL H H 1 8.897 . . . . . . . . 110 VAL H . 51723 1 58 . 1 . 1 35 35 VAL N N 15 131.018 . . . . . . . . 110 VAL N . 51723 1 59 . 1 . 1 36 36 VAL H H 1 8.515 . . . . . . . . 111 VAL H . 51723 1 60 . 1 . 1 36 36 VAL N N 15 125.471 . . . . . . . . 111 VAL N . 51723 1 61 . 1 . 1 37 37 ASN H H 1 7.807 . . . . . . . . 112 ASN H . 51723 1 62 . 1 . 1 37 37 ASN N N 15 123.016 . . . . . . . . 112 ASN N . 51723 1 63 . 1 . 1 38 38 HIS H H 1 8.365 . . . . . . . . 113 HIS H . 51723 1 64 . 1 . 1 38 38 HIS N N 15 121.641 . . . . . . . . 113 HIS N . 51723 1 65 . 1 . 1 39 39 GLY H H 1 8.669 . . . . . . . . 114 GLY H . 51723 1 66 . 1 . 1 39 39 GLY N N 15 117.290 . . . . . . . . 114 GLY N . 51723 1 67 . 1 . 1 40 40 GLY H H 1 8.870 . . . . . . . . 115 GLY H . 51723 1 68 . 1 . 1 40 40 GLY N N 15 107.761 . . . . . . . . 115 GLY N . 51723 1 69 . 1 . 1 41 41 SER H H 1 7.741 . . . . . . . . 116 SER H . 51723 1 70 . 1 . 1 41 41 SER N N 15 116.020 . . . . . . . . 116 SER N . 51723 1 71 . 1 . 1 42 42 LEU H H 1 8.270 . . . . . . . . 117 LEU H . 51723 1 72 . 1 . 1 42 42 LEU N N 15 127.500 . . . . . . . . 117 LEU N . 51723 1 73 . 1 . 1 43 43 THR H H 1 8.889 . . . . . . . . 118 THR H . 51723 1 74 . 1 . 1 43 43 THR N N 15 115.672 . . . . . . . . 118 THR N . 51723 1 75 . 1 . 1 44 44 ALA H H 1 8.807 . . . . . . . . 119 ALA H . 51723 1 76 . 1 . 1 44 44 ALA N N 15 121.566 . . . . . . . . 119 ALA N . 51723 1 77 . 1 . 1 45 45 VAL H H 1 8.052 . . . . . . . . 120 VAL H . 51723 1 78 . 1 . 1 45 45 VAL N N 15 113.855 . . . . . . . . 120 VAL N . 51723 1 79 . 1 . 1 46 46 SER H H 1 8.993 . . . . . . . . 121 SER H . 51723 1 80 . 1 . 1 46 46 SER N N 15 114.426 . . . . . . . . 121 SER N . 51723 1 81 . 1 . 1 47 47 ALA H H 1 9.110 . . . . . . . . 122 ALA H . 51723 1 82 . 1 . 1 47 47 ALA N N 15 123.149 . . . . . . . . 122 ALA N . 51723 1 83 . 1 . 1 48 48 ILE H H 1 7.592 . . . . . . . . 123 ILE H . 51723 1 84 . 1 . 1 48 48 ILE N N 15 119.309 . . . . . . . . 123 ILE N . 51723 1 85 . 1 . 1 50 50 THR H H 1 9.558 . . . . . . . . 125 THR H . 51723 1 86 . 1 . 1 50 50 THR N N 15 111.880 . . . . . . . . 125 THR N . 51723 1 87 . 1 . 1 51 51 HIS H H 1 9.248 . . . . . . . . 126 HIS H . 51723 1 88 . 1 . 1 51 51 HIS N N 15 119.922 . . . . . . . . 126 HIS N . 51723 1 89 . 1 . 1 55 55 LEU H H 1 8.290 . . . . . . . . 130 LEU H . 51723 1 90 . 1 . 1 55 55 LEU N N 15 120.200 . . . . . . . . 130 LEU N . 51723 1 91 . 1 . 1 56 56 VAL H H 1 7.910 . . . . . . . . 131 VAL H . 51723 1 92 . 1 . 1 56 56 VAL N N 15 116.292 . . . . . . . . 131 VAL N . 51723 1 93 . 1 . 1 57 57 HIS H H 1 8.148 . . . . . . . . 132 HIS H . 51723 1 94 . 1 . 1 57 57 HIS N N 15 111.418 . . . . . . . . 132 HIS N . 51723 1 95 . 1 . 1 58 58 TRP H H 1 8.811 . . . . . . . . 133 TRP H . 51723 1 96 . 1 . 1 58 58 TRP HE1 H 1 10.903 . . . . . . . . 133 TRP HE1 . 51723 1 97 . 1 . 1 58 58 TRP N N 15 119.816 . . . . . . . . 133 TRP N . 51723 1 98 . 1 . 1 58 58 TRP NE1 N 15 128.892 . . . . . . . . 133 TRP NE1 . 51723 1 99 . 1 . 1 59 59 ASP H H 1 8.230 . . . . . . . . 134 ASP H . 51723 1 100 . 1 . 1 59 59 ASP N N 15 130.760 . . . . . . . . 134 ASP N . 51723 1 101 . 1 . 1 60 60 GLU H H 1 8.066 . . . . . . . . 135 GLU H . 51723 1 102 . 1 . 1 60 60 GLU N N 15 125.068 . . . . . . . . 135 GLU N . 51723 1 103 . 1 . 1 61 61 ALA H H 1 7.975 . . . . . . . . 136 ALA H . 51723 1 104 . 1 . 1 61 61 ALA N N 15 120.186 . . . . . . . . 136 ALA N . 51723 1 105 . 1 . 1 62 62 ALA H H 1 7.237 . . . . . . . . 137 ALA H . 51723 1 106 . 1 . 1 62 62 ALA N N 15 118.340 . . . . . . . . 137 ALA N . 51723 1 107 . 1 . 1 63 63 ASP H H 1 7.740 . . . . . . . . 138 ASP H . 51723 1 108 . 1 . 1 63 63 ASP N N 15 120.385 . . . . . . . . 138 ASP N . 51723 1 109 . 1 . 1 64 64 MET H H 1 6.557 . . . . . . . . 139 MET H . 51723 1 110 . 1 . 1 64 64 MET N N 15 112.980 . . . . . . . . 139 MET N . 51723 1 111 . 1 . 1 65 65 ILE H H 1 8.901 . . . . . . . . 140 ILE H . 51723 1 112 . 1 . 1 65 65 ILE N N 15 120.971 . . . . . . . . 140 ILE N . 51723 1 113 . 1 . 1 66 66 ALA H H 1 8.763 . . . . . . . . 141 ALA H . 51723 1 114 . 1 . 1 66 66 ALA N N 15 132.281 . . . . . . . . 141 ALA N . 51723 1 115 . 1 . 1 77 77 ASP H H 1 7.835 . . . . . . . . 152 ASP H . 51723 1 116 . 1 . 1 77 77 ASP N N 15 108.736 . . . . . . . . 152 ASP N . 51723 1 117 . 1 . 1 78 78 GLY H H 1 8.418 . . . . . . . . 153 GLY H . 51723 1 118 . 1 . 1 78 78 GLY N N 15 108.106 . . . . . . . . 153 GLY N . 51723 1 119 . 1 . 1 79 79 LYS H H 1 7.978 . . . . . . . . 154 LYS H . 51723 1 120 . 1 . 1 79 79 LYS N N 15 118.489 . . . . . . . . 154 LYS N . 51723 1 121 . 1 . 1 80 80 ILE H H 1 8.703 . . . . . . . . 155 ILE H . 51723 1 122 . 1 . 1 80 80 ILE N N 15 120.760 . . . . . . . . 155 ILE N . 51723 1 123 . 1 . 1 81 81 ILE H H 1 8.517 . . . . . . . . 156 ILE H . 51723 1 124 . 1 . 1 81 81 ILE N N 15 128.367 . . . . . . . . 156 ILE N . 51723 1 125 . 1 . 1 82 82 SER H H 1 7.719 . . . . . . . . 157 SER H . 51723 1 126 . 1 . 1 82 82 SER N N 15 110.487 . . . . . . . . 157 SER N . 51723 1 127 . 1 . 1 83 83 GLY H H 1 8.418 . . . . . . . . 158 GLY H . 51723 1 128 . 1 . 1 83 83 GLY N N 15 108.106 . . . . . . . . 158 GLY N . 51723 1 129 . 1 . 1 87 87 LEU H H 1 6.848 . . . . . . . . 162 LEU H . 51723 1 130 . 1 . 1 87 87 LEU N N 15 118.679 . . . . . . . . 162 LEU N . 51723 1 131 . 1 . 1 89 89 LEU H H 1 8.899 . . . . . . . . 164 LEU H . 51723 1 132 . 1 . 1 89 89 LEU N N 15 120.743 . . . . . . . . 164 LEU N . 51723 1 133 . 1 . 1 90 90 LYS H H 1 8.577 . . . . . . . . 165 LYS H . 51723 1 134 . 1 . 1 90 90 LYS N N 15 124.393 . . . . . . . . 165 LYS N . 51723 1 135 . 1 . 1 91 91 GLN H H 1 8.337 . . . . . . . . 166 GLN H . 51723 1 136 . 1 . 1 91 91 GLN N N 15 122.655 . . . . . . . . 166 GLN N . 51723 1 137 . 1 . 1 92 92 TYR H H 1 8.679 . . . . . . . . 167 TYR H . 51723 1 138 . 1 . 1 92 92 TYR N N 15 123.325 . . . . . . . . 167 TYR N . 51723 1 139 . 1 . 1 93 93 LYS H H 1 8.719 . . . . . . . . 168 LYS H . 51723 1 140 . 1 . 1 93 93 LYS N N 15 121.306 . . . . . . . . 168 LYS N . 51723 1 141 . 1 . 1 94 94 VAL H H 1 8.380 . . . . . . . . 169 VAL H . 51723 1 142 . 1 . 1 94 94 VAL N N 15 119.449 . . . . . . . . 169 VAL N . 51723 1 143 . 1 . 1 95 95 LYS H H 1 8.405 . . . . . . . . 170 LYS H . 51723 1 144 . 1 . 1 95 95 LYS N N 15 124.477 . . . . . . . . 170 LYS N . 51723 1 145 . 1 . 1 96 96 ILE H H 1 8.384 . . . . . . . . 171 ILE H . 51723 1 146 . 1 . 1 96 96 ILE N N 15 119.891 . . . . . . . . 171 ILE N . 51723 1 147 . 1 . 1 97 97 GLU H H 1 9.073 . . . . . . . . 172 GLU H . 51723 1 148 . 1 . 1 97 97 GLU N N 15 128.576 . . . . . . . . 172 GLU N . 51723 1 149 . 1 . 1 99 99 GLY H H 1 8.433 . . . . . . . . 174 GLY H . 51723 1 150 . 1 . 1 99 99 GLY N N 15 101.638 . . . . . . . . 174 GLY N . 51723 1 151 . 1 . 1 100 100 LYS H H 1 7.995 . . . . . . . . 175 LYS H . 51723 1 152 . 1 . 1 100 100 LYS N N 15 121.282 . . . . . . . . 175 LYS N . 51723 1 153 . 1 . 1 101 101 ILE H H 1 8.773 . . . . . . . . 176 ILE H . 51723 1 154 . 1 . 1 101 101 ILE N N 15 121.107 . . . . . . . . 176 ILE N . 51723 1 155 . 1 . 1 102 102 VAL H H 1 9.051 . . . . . . . . 177 VAL H . 51723 1 156 . 1 . 1 102 102 VAL N N 15 129.075 . . . . . . . . 177 VAL N . 51723 1 157 . 1 . 1 103 103 VAL H H 1 8.540 . . . . . . . . 178 VAL H . 51723 1 158 . 1 . 1 103 103 VAL N N 15 130.107 . . . . . . . . 178 VAL N . 51723 1 159 . 1 . 1 104 104 SER H H 1 9.064 . . . . . . . . 179 SER H . 51723 1 160 . 1 . 1 104 104 SER N N 15 117.878 . . . . . . . . 179 SER N . 51723 1 161 . 1 . 1 105 105 ILE H H 1 8.180 . . . . . . . . 180 ILE H . 51723 1 162 . 1 . 1 105 105 ILE N N 15 119.069 . . . . . . . . 180 ILE N . 51723 1 163 . 1 . 1 106 106 ALA H H 1 8.613 . . . . . . . . 181 ALA H . 51723 1 164 . 1 . 1 106 106 ALA N N 15 128.917 . . . . . . . . 181 ALA N . 51723 1 165 . 1 . 1 108 108 LEU H H 1 8.327 . . . . . . . . 183 LEU H . 51723 1 166 . 1 . 1 108 108 LEU N N 15 124.701 . . . . . . . . 183 LEU N . 51723 1 167 . 1 . 1 109 109 ALA H H 1 8.335 . . . . . . . . 184 ALA H . 51723 1 168 . 1 . 1 109 109 ALA N N 15 125.457 . . . . . . . . 184 ALA N . 51723 1 169 . 1 . 1 111 111 ALA H H 1 8.202 . . . . . . . . 186 ALA H . 51723 1 170 . 1 . 1 111 111 ALA N N 15 123.064 . . . . . . . . 186 ALA N . 51723 1 171 . 1 . 1 112 112 LEU H H 1 8.122 . . . . . . . . 187 LEU H . 51723 1 172 . 1 . 1 112 112 LEU N N 15 120.913 . . . . . . . . 187 LEU N . 51723 1 173 . 1 . 1 113 113 GLU H H 1 8.277 . . . . . . . . 188 GLU H . 51723 1 174 . 1 . 1 113 113 GLU N N 15 121.143 . . . . . . . . 188 GLU N . 51723 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51723 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCACB' . . . 51723 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51723 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 LYS CA C 13 56.120 . . . . . . . . 78 LYS CA . 51723 2 2 . 1 . 1 3 3 LYS CB C 13 33.083 . . . . . . . . 78 LYS CB . 51723 2 3 . 1 . 1 4 4 ILE H H 1 8.211 . . . . . . . . 79 ILE H . 51723 2 4 . 1 . 1 4 4 ILE CA C 13 60.721 . . . . . . . . 79 ILE CA . 51723 2 5 . 1 . 1 4 4 ILE CB C 13 39.069 . . . . . . . . 79 ILE CB . 51723 2 6 . 1 . 1 4 4 ILE N N 15 123.123 . . . . . . . . 79 ILE N . 51723 2 7 . 1 . 1 5 5 LYS H H 1 8.374 . . . . . . . . 80 LYS H . 51723 2 8 . 1 . 1 5 5 LYS CA C 13 56.076 . . . . . . . . 80 LYS CA . 51723 2 9 . 1 . 1 5 5 LYS CB C 13 33.184 . . . . . . . . 80 LYS CB . 51723 2 10 . 1 . 1 5 5 LYS N N 15 126.675 . . . . . . . . 80 LYS N . 51723 2 11 . 1 . 1 6 6 ILE H H 1 8.198 . . . . . . . . 81 ILE H . 51723 2 12 . 1 . 1 6 6 ILE CA C 13 60.356 . . . . . . . . 81 ILE CA . 51723 2 13 . 1 . 1 6 6 ILE CB C 13 38.674 . . . . . . . . 81 ILE CB . 51723 2 14 . 1 . 1 6 6 ILE N N 15 124.793 . . . . . . . . 81 ILE N . 51723 2 15 . 1 . 1 7 7 VAL H H 1 8.625 . . . . . . . . 82 VAL H . 51723 2 16 . 1 . 1 7 7 VAL CA C 13 60.516 . . . . . . . . 82 VAL CA . 51723 2 17 . 1 . 1 7 7 VAL CB C 13 33.603 . . . . . . . . 82 VAL CB . 51723 2 18 . 1 . 1 7 7 VAL N N 15 123.886 . . . . . . . . 82 VAL N . 51723 2 19 . 1 . 1 8 8 ASN CA C 13 54.389 . . . . . . . . 83 ASN CA . 51723 2 20 . 1 . 1 8 8 ASN CB C 13 39.749 . . . . . . . . 83 ASN CB . 51723 2 21 . 1 . 1 9 9 GLU H H 1 7.540 . . . . . . . . 84 GLU H . 51723 2 22 . 1 . 1 9 9 GLU CA C 13 54.741 . . . . . . . . 84 GLU CA . 51723 2 23 . 1 . 1 9 9 GLU CB C 13 32.911 . . . . . . . . 84 GLU CB . 51723 2 24 . 1 . 1 9 9 GLU N N 15 116.687 . . . . . . . . 84 GLU N . 51723 2 25 . 1 . 1 10 10 LEU H H 1 9.070 . . . . . . . . 85 LEU H . 51723 2 26 . 1 . 1 10 10 LEU CA C 13 54.616 . . . . . . . . 85 LEU CA . 51723 2 27 . 1 . 1 10 10 LEU CB C 13 47.586 . . . . . . . . 85 LEU CB . 51723 2 28 . 1 . 1 10 10 LEU N N 15 124.118 . . . . . . . . 85 LEU N . 51723 2 29 . 1 . 1 11 11 ALA H H 1 8.657 . . . . . . . . 86 ALA H . 51723 2 30 . 1 . 1 11 11 ALA CA C 13 50.574 . . . . . . . . 86 ALA CA . 51723 2 31 . 1 . 1 11 11 ALA CB C 13 17.395 . . . . . . . . 86 ALA CB . 51723 2 32 . 1 . 1 11 11 ALA N N 15 129.076 . . . . . . . . 86 ALA N . 51723 2 33 . 1 . 1 12 12 VAL H H 1 8.383 . . . . . . . . 87 VAL H . 51723 2 34 . 1 . 1 12 12 VAL CA C 13 62.225 . . . . . . . . 87 VAL CA . 51723 2 35 . 1 . 1 12 12 VAL CB C 13 31.762 . . . . . . . . 87 VAL CB . 51723 2 36 . 1 . 1 12 12 VAL N N 15 118.821 . . . . . . . . 87 VAL N . 51723 2 37 . 1 . 1 13 13 GLY H H 1 7.004 . . . . . . . . 88 GLY H . 51723 2 38 . 1 . 1 13 13 GLY CA C 13 45.032 . . . . . . . . 88 GLY CA . 51723 2 39 . 1 . 1 13 13 GLY N N 15 106.074 . . . . . . . . 88 GLY N . 51723 2 40 . 1 . 1 14 14 PRO CA C 13 62.251 . . . . . . . . 89 PRO CA . 51723 2 41 . 1 . 1 14 14 PRO CB C 13 32.312 . . . . . . . . 89 PRO CB . 51723 2 42 . 1 . 1 15 15 ALA H H 1 8.497 . . . . . . . . 90 ALA H . 51723 2 43 . 1 . 1 15 15 ALA CA C 13 54.928 . . . . . . . . 90 ALA CA . 51723 2 44 . 1 . 1 15 15 ALA CB C 13 17.922 . . . . . . . . 90 ALA CB . 51723 2 45 . 1 . 1 15 15 ALA N N 15 123.597 . . . . . . . . 90 ALA N . 51723 2 46 . 1 . 1 16 16 SER H H 1 8.026 . . . . . . . . 91 SER H . 51723 2 47 . 1 . 1 16 16 SER CA C 13 59.460 . . . . . . . . 91 SER CA . 51723 2 48 . 1 . 1 16 16 SER CB C 13 62.528 . . . . . . . . 91 SER CB . 51723 2 49 . 1 . 1 16 16 SER N N 15 110.447 . . . . . . . . 91 SER N . 51723 2 50 . 1 . 1 17 17 ASP H H 1 7.961 . . . . . . . . 92 ASP H . 51723 2 51 . 1 . 1 17 17 ASP CA C 13 56.156 . . . . . . . . 92 ASP CA . 51723 2 52 . 1 . 1 17 17 ASP CB C 13 41.725 . . . . . . . . 92 ASP CB . 51723 2 53 . 1 . 1 17 17 ASP N N 15 121.536 . . . . . . . . 92 ASP N . 51723 2 54 . 1 . 1 18 18 VAL H H 1 6.983 . . . . . . . . 93 VAL H . 51723 2 55 . 1 . 1 18 18 VAL CA C 13 58.912 . . . . . . . . 93 VAL CA . 51723 2 56 . 1 . 1 18 18 VAL CB C 13 31.745 . . . . . . . . 93 VAL CB . 51723 2 57 . 1 . 1 18 18 VAL N N 15 114.109 . . . . . . . . 93 VAL N . 51723 2 58 . 1 . 1 19 19 PRO CA C 13 62.205 . . . . . . . . 94 PRO CA . 51723 2 59 . 1 . 1 19 19 PRO CB C 13 32.919 . . . . . . . . 94 PRO CB . 51723 2 60 . 1 . 1 20 20 ASN H H 1 8.556 . . . . . . . . 95 ASN H . 51723 2 61 . 1 . 1 20 20 ASN CA C 13 55.877 . . . . . . . . 95 ASN CA . 51723 2 62 . 1 . 1 20 20 ASN CB C 13 39.090 . . . . . . . . 95 ASN CB . 51723 2 63 . 1 . 1 20 20 ASN N N 15 117.716 . . . . . . . . 95 ASN N . 51723 2 64 . 1 . 1 21 21 GLY H H 1 9.208 . . . . . . . . 96 GLY H . 51723 2 65 . 1 . 1 21 21 GLY CA C 13 45.294 . . . . . . . . 96 GLY CA . 51723 2 66 . 1 . 1 21 21 GLY N N 15 114.900 . . . . . . . . 96 GLY N . 51723 2 67 . 1 . 1 22 22 THR H H 1 7.794 . . . . . . . . 97 THR H . 51723 2 68 . 1 . 1 22 22 THR CA C 13 60.828 . . . . . . . . 97 THR CA . 51723 2 69 . 1 . 1 22 22 THR CB C 13 73.077 . . . . . . . . 97 THR CB . 51723 2 70 . 1 . 1 22 22 THR N N 15 110.930 . . . . . . . . 97 THR N . 51723 2 71 . 1 . 1 23 23 GLY H H 1 8.391 . . . . . . . . 98 GLY H . 51723 2 72 . 1 . 1 23 23 GLY CA C 13 45.083 . . . . . . . . 98 GLY CA . 51723 2 73 . 1 . 1 23 23 GLY N N 15 104.472 . . . . . . . . 98 GLY N . 51723 2 74 . 1 . 1 24 24 LYS H H 1 8.909 . . . . . . . . 99 LYS H . 51723 2 75 . 1 . 1 24 24 LYS CA C 13 55.492 . . . . . . . . 99 LYS CA . 51723 2 76 . 1 . 1 24 24 LYS CB C 13 37.650 . . . . . . . . 99 LYS CB . 51723 2 77 . 1 . 1 24 24 LYS N N 15 125.215 . . . . . . . . 99 LYS N . 51723 2 78 . 1 . 1 25 25 ILE H H 1 7.985 . . . . . . . . 100 ILE H . 51723 2 79 . 1 . 1 25 25 ILE CA C 13 60.281 . . . . . . . . 100 ILE CA . 51723 2 80 . 1 . 1 25 25 ILE CB C 13 38.544 . . . . . . . . 100 ILE CB . 51723 2 81 . 1 . 1 25 25 ILE N N 15 124.292 . . . . . . . . 100 ILE N . 51723 2 82 . 1 . 1 26 26 TYR H H 1 9.338 . . . . . . . . 101 TYR H . 51723 2 83 . 1 . 1 26 26 TYR CA C 13 56.709 . . . . . . . . 101 TYR CA . 51723 2 84 . 1 . 1 26 26 TYR CB C 13 42.798 . . . . . . . . 101 TYR CB . 51723 2 85 . 1 . 1 26 26 TYR N N 15 125.333 . . . . . . . . 101 TYR N . 51723 2 86 . 1 . 1 27 27 GLN H H 1 8.848 . . . . . . . . 102 GLN H . 51723 2 87 . 1 . 1 27 27 GLN CA C 13 56.319 . . . . . . . . 102 GLN CA . 51723 2 88 . 1 . 1 27 27 GLN CB C 13 29.261 . . . . . . . . 102 GLN CB . 51723 2 89 . 1 . 1 27 27 GLN N N 15 122.653 . . . . . . . . 102 GLN N . 51723 2 90 . 1 . 1 28 28 PHE H H 1 8.443 . . . . . . . . 103 PHE H . 51723 2 91 . 1 . 1 28 28 PHE CA C 13 57.173 . . . . . . . . 103 PHE CA . 51723 2 92 . 1 . 1 28 28 PHE CB C 13 40.980 . . . . . . . . 103 PHE CB . 51723 2 93 . 1 . 1 28 28 PHE N N 15 126.428 . . . . . . . . 103 PHE N . 51723 2 94 . 1 . 1 29 29 ASN H H 1 8.869 . . . . . . . . 104 ASN H . 51723 2 95 . 1 . 1 29 29 ASN CA C 13 55.212 . . . . . . . . 104 ASN CA . 51723 2 96 . 1 . 1 29 29 ASN CB C 13 36.889 . . . . . . . . 104 ASN CB . 51723 2 97 . 1 . 1 29 29 ASN N N 15 123.978 . . . . . . . . 104 ASN N . 51723 2 98 . 1 . 1 30 30 ASP H H 1 8.615 . . . . . . . . 105 ASP H . 51723 2 99 . 1 . 1 30 30 ASP CA C 13 54.438 . . . . . . . . 105 ASP CA . 51723 2 100 . 1 . 1 30 30 ASP CB C 13 40.389 . . . . . . . . 105 ASP CB . 51723 2 101 . 1 . 1 30 30 ASP N N 15 122.098 . . . . . . . . 105 ASP N . 51723 2 102 . 1 . 1 31 31 ASP H H 1 8.386 . . . . . . . . 106 ASP H . 51723 2 103 . 1 . 1 31 31 ASP CA C 13 51.677 . . . . . . . . 106 ASP CA . 51723 2 104 . 1 . 1 31 31 ASP CB C 13 43.659 . . . . . . . . 106 ASP CB . 51723 2 105 . 1 . 1 31 31 ASP N N 15 122.366 . . . . . . . . 106 ASP N . 51723 2 106 . 1 . 1 32 32 LYS H H 1 8.675 . . . . . . . . 107 LYS H . 51723 2 107 . 1 . 1 32 32 LYS CA C 13 54.931 . . . . . . . . 107 LYS CA . 51723 2 108 . 1 . 1 32 32 LYS CB C 13 35.587 . . . . . . . . 107 LYS CB . 51723 2 109 . 1 . 1 32 32 LYS N N 15 120.561 . . . . . . . . 107 LYS N . 51723 2 110 . 1 . 1 33 33 VAL H H 1 9.398 . . . . . . . . 108 VAL H . 51723 2 111 . 1 . 1 33 33 VAL CA C 13 59.644 . . . . . . . . 108 VAL CA . 51723 2 112 . 1 . 1 33 33 VAL CB C 13 35.007 . . . . . . . . 108 VAL CB . 51723 2 113 . 1 . 1 33 33 VAL N N 15 120.250 . . . . . . . . 108 VAL N . 51723 2 114 . 1 . 1 34 34 ILE H H 1 9.702 . . . . . . . . 109 ILE H . 51723 2 115 . 1 . 1 34 34 ILE CA C 13 58.100 . . . . . . . . 109 ILE CA . 51723 2 116 . 1 . 1 34 34 ILE CB C 13 41.213 . . . . . . . . 109 ILE CB . 51723 2 117 . 1 . 1 34 34 ILE N N 15 124.510 . . . . . . . . 109 ILE N . 51723 2 118 . 1 . 1 35 35 VAL H H 1 8.898 . . . . . . . . 110 VAL H . 51723 2 119 . 1 . 1 35 35 VAL CA C 13 60.008 . . . . . . . . 110 VAL CA . 51723 2 120 . 1 . 1 35 35 VAL CB C 13 33.049 . . . . . . . . 110 VAL CB . 51723 2 121 . 1 . 1 35 35 VAL N N 15 131.098 . . . . . . . . 110 VAL N . 51723 2 122 . 1 . 1 36 36 VAL H H 1 8.522 . . . . . . . . 111 VAL H . 51723 2 123 . 1 . 1 36 36 VAL CA C 13 60.630 . . . . . . . . 111 VAL CA . 51723 2 124 . 1 . 1 36 36 VAL CB C 13 34.079 . . . . . . . . 111 VAL CB . 51723 2 125 . 1 . 1 36 36 VAL N N 15 125.496 . . . . . . . . 111 VAL N . 51723 2 126 . 1 . 1 37 37 ASN H H 1 7.813 . . . . . . . . 112 ASN H . 51723 2 127 . 1 . 1 37 37 ASN CA C 13 50.242 . . . . . . . . 112 ASN CA . 51723 2 128 . 1 . 1 37 37 ASN CB C 13 39.807 . . . . . . . . 112 ASN CB . 51723 2 129 . 1 . 1 37 37 ASN N N 15 123.096 . . . . . . . . 112 ASN N . 51723 2 130 . 1 . 1 38 38 HIS H H 1 8.374 . . . . . . . . 113 HIS H . 51723 2 131 . 1 . 1 38 38 HIS CA C 13 55.817 . . . . . . . . 113 HIS CA . 51723 2 132 . 1 . 1 38 38 HIS CB C 13 30.947 . . . . . . . . 113 HIS CB . 51723 2 133 . 1 . 1 38 38 HIS N N 15 121.632 . . . . . . . . 113 HIS N . 51723 2 134 . 1 . 1 39 39 GLY H H 1 8.685 . . . . . . . . 114 GLY H . 51723 2 135 . 1 . 1 39 39 GLY CA C 13 46.415 . . . . . . . . 114 GLY CA . 51723 2 136 . 1 . 1 39 39 GLY N N 15 117.407 . . . . . . . . 114 GLY N . 51723 2 137 . 1 . 1 40 40 GLY H H 1 8.875 . . . . . . . . 115 GLY H . 51723 2 138 . 1 . 1 40 40 GLY CA C 13 45.028 . . . . . . . . 115 GLY CA . 51723 2 139 . 1 . 1 40 40 GLY N N 15 107.813 . . . . . . . . 115 GLY N . 51723 2 140 . 1 . 1 41 41 SER H H 1 7.747 . . . . . . . . 116 SER H . 51723 2 141 . 1 . 1 41 41 SER CA C 13 57.087 . . . . . . . . 116 SER CA . 51723 2 142 . 1 . 1 41 41 SER CB C 13 64.803 . . . . . . . . 116 SER CB . 51723 2 143 . 1 . 1 41 41 SER N N 15 116.166 . . . . . . . . 116 SER N . 51723 2 144 . 1 . 1 42 42 LEU H H 1 8.274 . . . . . . . . 117 LEU H . 51723 2 145 . 1 . 1 42 42 LEU CA C 13 53.483 . . . . . . . . 117 LEU CA . 51723 2 146 . 1 . 1 42 42 LEU CB C 13 44.479 . . . . . . . . 117 LEU CB . 51723 2 147 . 1 . 1 42 42 LEU N N 15 127.660 . . . . . . . . 117 LEU N . 51723 2 148 . 1 . 1 43 43 THR H H 1 8.892 . . . . . . . . 118 THR H . 51723 2 149 . 1 . 1 43 43 THR CA C 13 59.968 . . . . . . . . 118 THR CA . 51723 2 150 . 1 . 1 43 43 THR CB C 13 72.483 . . . . . . . . 118 THR CB . 51723 2 151 . 1 . 1 43 43 THR N N 15 115.741 . . . . . . . . 118 THR N . 51723 2 152 . 1 . 1 44 44 ALA H H 1 8.810 . . . . . . . . 119 ALA H . 51723 2 153 . 1 . 1 44 44 ALA CA C 13 51.147 . . . . . . . . 119 ALA CA . 51723 2 154 . 1 . 1 44 44 ALA CB C 13 22.255 . . . . . . . . 119 ALA CB . 51723 2 155 . 1 . 1 44 44 ALA N N 15 121.600 . . . . . . . . 119 ALA N . 51723 2 156 . 1 . 1 45 45 VAL H H 1 8.061 . . . . . . . . 120 VAL H . 51723 2 157 . 1 . 1 45 45 VAL CA C 13 57.695 . . . . . . . . 120 VAL CA . 51723 2 158 . 1 . 1 45 45 VAL CB C 13 36.422 . . . . . . . . 120 VAL CB . 51723 2 159 . 1 . 1 45 45 VAL N N 15 113.994 . . . . . . . . 120 VAL N . 51723 2 160 . 1 . 1 46 46 SER H H 1 8.999 . . . . . . . . 121 SER H . 51723 2 161 . 1 . 1 46 46 SER CA C 13 59.142 . . . . . . . . 121 SER CA . 51723 2 162 . 1 . 1 46 46 SER CB C 13 63.745 . . . . . . . . 121 SER CB . 51723 2 163 . 1 . 1 46 46 SER N N 15 114.569 . . . . . . . . 121 SER N . 51723 2 164 . 1 . 1 47 47 ALA H H 1 9.119 . . . . . . . . 122 ALA H . 51723 2 165 . 1 . 1 47 47 ALA CA C 13 50.063 . . . . . . . . 122 ALA CA . 51723 2 166 . 1 . 1 47 47 ALA CB C 13 20.776 . . . . . . . . 122 ALA CB . 51723 2 167 . 1 . 1 47 47 ALA N N 15 123.174 . . . . . . . . 122 ALA N . 51723 2 168 . 1 . 1 48 48 ILE H H 1 7.601 . . . . . . . . 123 ILE H . 51723 2 169 . 1 . 1 48 48 ILE CA C 13 64.648 . . . . . . . . 123 ILE CA . 51723 2 170 . 1 . 1 48 48 ILE CB C 13 38.074 . . . . . . . . 123 ILE CB . 51723 2 171 . 1 . 1 48 48 ILE N N 15 119.401 . . . . . . . . 123 ILE N . 51723 2 172 . 1 . 1 49 49 CYS CA C 13 54.973 . . . . . . . . 124 CYS CA . 51723 2 173 . 1 . 1 49 49 CYS CB C 13 42.209 . . . . . . . . 124 CYS CB . 51723 2 174 . 1 . 1 50 50 THR H H 1 9.563 . . . . . . . . 125 THR H . 51723 2 175 . 1 . 1 50 50 THR CA C 13 61.715 . . . . . . . . 125 THR CA . 51723 2 176 . 1 . 1 50 50 THR CB C 13 71.638 . . . . . . . . 125 THR CB . 51723 2 177 . 1 . 1 50 50 THR N N 15 111.979 . . . . . . . . 125 THR N . 51723 2 178 . 1 . 1 51 51 HIS H H 1 9.253 . . . . . . . . 126 HIS H . 51723 2 179 . 1 . 1 51 51 HIS CA C 13 59.400 . . . . . . . . 126 HIS CA . 51723 2 180 . 1 . 1 51 51 HIS CB C 13 28.503 . . . . . . . . 126 HIS CB . 51723 2 181 . 1 . 1 51 51 HIS N N 15 119.987 . . . . . . . . 126 HIS N . 51723 2 182 . 1 . 1 54 54 CYS CA C 13 58.311 . . . . . . . . 129 CYS CA . 51723 2 183 . 1 . 1 55 55 LEU H H 1 8.300 . . . . . . . . 130 LEU H . 51723 2 184 . 1 . 1 55 55 LEU CA C 13 54.442 . . . . . . . . 130 LEU CA . 51723 2 185 . 1 . 1 55 55 LEU CB C 13 42.317 . . . . . . . . 130 LEU CB . 51723 2 186 . 1 . 1 55 55 LEU N N 15 120.295 . . . . . . . . 130 LEU N . 51723 2 187 . 1 . 1 56 56 VAL H H 1 7.915 . . . . . . . . 131 VAL H . 51723 2 188 . 1 . 1 56 56 VAL CA C 13 60.210 . . . . . . . . 131 VAL CA . 51723 2 189 . 1 . 1 56 56 VAL CB C 13 31.886 . . . . . . . . 131 VAL CB . 51723 2 190 . 1 . 1 56 56 VAL N N 15 116.353 . . . . . . . . 131 VAL N . 51723 2 191 . 1 . 1 57 57 HIS H H 1 8.153 . . . . . . . . 132 HIS H . 51723 2 192 . 1 . 1 57 57 HIS CA C 13 54.609 . . . . . . . . 132 HIS CA . 51723 2 193 . 1 . 1 57 57 HIS CB C 13 33.530 . . . . . . . . 132 HIS CB . 51723 2 194 . 1 . 1 57 57 HIS N N 15 111.458 . . . . . . . . 132 HIS N . 51723 2 195 . 1 . 1 58 58 TRP H H 1 8.819 . . . . . . . . 133 TRP H . 51723 2 196 . 1 . 1 58 58 TRP HE1 H 1 10.903 . . . . . . . . 133 TRP HE1 . 51723 2 197 . 1 . 1 58 58 TRP CA C 13 55.959 . . . . . . . . 133 TRP CA . 51723 2 198 . 1 . 1 58 58 TRP CB C 13 31.201 . . . . . . . . 133 TRP CB . 51723 2 199 . 1 . 1 58 58 TRP N N 15 119.942 . . . . . . . . 133 TRP N . 51723 2 200 . 1 . 1 58 58 TRP NE1 N 15 128.892 . . . . . . . . 133 TRP NE1 . 51723 2 201 . 1 . 1 59 59 ASP H H 1 8.232 . . . . . . . . 134 ASP H . 51723 2 202 . 1 . 1 59 59 ASP CA C 13 51.602 . . . . . . . . 134 ASP CA . 51723 2 203 . 1 . 1 59 59 ASP CB C 13 41.552 . . . . . . . . 134 ASP CB . 51723 2 204 . 1 . 1 59 59 ASP N N 15 130.867 . . . . . . . . 134 ASP N . 51723 2 205 . 1 . 1 60 60 GLU H H 1 8.069 . . . . . . . . 135 GLU H . 51723 2 206 . 1 . 1 60 60 GLU CA C 13 58.065 . . . . . . . . 135 GLU CA . 51723 2 207 . 1 . 1 60 60 GLU CB C 13 29.136 . . . . . . . . 135 GLU CB . 51723 2 208 . 1 . 1 60 60 GLU N N 15 125.211 . . . . . . . . 135 GLU N . 51723 2 209 . 1 . 1 61 61 ALA H H 1 7.973 . . . . . . . . 136 ALA H . 51723 2 210 . 1 . 1 61 61 ALA CA C 13 54.315 . . . . . . . . 136 ALA CA . 51723 2 211 . 1 . 1 61 61 ALA CB C 13 18.347 . . . . . . . . 136 ALA CB . 51723 2 212 . 1 . 1 61 61 ALA N N 15 120.292 . . . . . . . . 136 ALA N . 51723 2 213 . 1 . 1 62 62 ALA H H 1 7.244 . . . . . . . . 137 ALA H . 51723 2 214 . 1 . 1 62 62 ALA CA C 13 51.037 . . . . . . . . 137 ALA CA . 51723 2 215 . 1 . 1 62 62 ALA CB C 13 20.089 . . . . . . . . 137 ALA CB . 51723 2 216 . 1 . 1 62 62 ALA N N 15 118.379 . . . . . . . . 137 ALA N . 51723 2 217 . 1 . 1 63 63 ASP H H 1 7.746 . . . . . . . . 138 ASP H . 51723 2 218 . 1 . 1 63 63 ASP CA C 13 54.539 . . . . . . . . 138 ASP CA . 51723 2 219 . 1 . 1 63 63 ASP CB C 13 39.087 . . . . . . . . 138 ASP CB . 51723 2 220 . 1 . 1 63 63 ASP N N 15 120.492 . . . . . . . . 138 ASP N . 51723 2 221 . 1 . 1 64 64 MET H H 1 6.571 . . . . . . . . 139 MET H . 51723 2 222 . 1 . 1 64 64 MET CA C 13 55.597 . . . . . . . . 139 MET CA . 51723 2 223 . 1 . 1 64 64 MET CB C 13 35.500 . . . . . . . . 139 MET CB . 51723 2 224 . 1 . 1 64 64 MET N N 15 113.080 . . . . . . . . 139 MET N . 51723 2 225 . 1 . 1 65 65 ILE H H 1 8.906 . . . . . . . . 140 ILE H . 51723 2 226 . 1 . 1 65 65 ILE CA C 13 61.580 . . . . . . . . 140 ILE CA . 51723 2 227 . 1 . 1 65 65 ILE CB C 13 38.649 . . . . . . . . 140 ILE CB . 51723 2 228 . 1 . 1 65 65 ILE N N 15 121.135 . . . . . . . . 140 ILE N . 51723 2 229 . 1 . 1 66 66 ALA H H 1 8.763 . . . . . . . . 141 ALA H . 51723 2 230 . 1 . 1 66 66 ALA CA C 13 56.472 . . . . . . . . 141 ALA CA . 51723 2 231 . 1 . 1 66 66 ALA N N 15 132.286 . . . . . . . . 141 ALA N . 51723 2 232 . 1 . 1 76 76 GLN CA C 13 59.386 . . . . . . . . 151 GLN CA . 51723 2 233 . 1 . 1 76 76 GLN CB C 13 28.500 . . . . . . . . 151 GLN CB . 51723 2 234 . 1 . 1 77 77 ASP H H 1 7.841 . . . . . . . . 152 ASP H . 51723 2 235 . 1 . 1 77 77 ASP CA C 13 52.425 . . . . . . . . 152 ASP CA . 51723 2 236 . 1 . 1 77 77 ASP CB C 13 39.474 . . . . . . . . 152 ASP CB . 51723 2 237 . 1 . 1 77 77 ASP N N 15 108.791 . . . . . . . . 152 ASP N . 51723 2 238 . 1 . 1 78 78 GLY H H 1 8.426 . . . . . . . . 153 GLY H . 51723 2 239 . 1 . 1 78 78 GLY CA C 13 47.307 . . . . . . . . 153 GLY CA . 51723 2 240 . 1 . 1 78 78 GLY N N 15 108.304 . . . . . . . . 153 GLY N . 51723 2 241 . 1 . 1 79 79 LYS H H 1 7.987 . . . . . . . . 154 LYS H . 51723 2 242 . 1 . 1 79 79 LYS CA C 13 56.523 . . . . . . . . 154 LYS CA . 51723 2 243 . 1 . 1 79 79 LYS CB C 13 31.784 . . . . . . . . 154 LYS CB . 51723 2 244 . 1 . 1 79 79 LYS N N 15 118.604 . . . . . . . . 154 LYS N . 51723 2 245 . 1 . 1 80 80 ILE H H 1 8.704 . . . . . . . . 155 ILE H . 51723 2 246 . 1 . 1 80 80 ILE CA C 13 65.296 . . . . . . . . 155 ILE CA . 51723 2 247 . 1 . 1 80 80 ILE CB C 13 39.432 . . . . . . . . 155 ILE CB . 51723 2 248 . 1 . 1 80 80 ILE N N 15 120.936 . . . . . . . . 155 ILE N . 51723 2 249 . 1 . 1 81 81 ILE H H 1 8.521 . . . . . . . . 156 ILE H . 51723 2 250 . 1 . 1 81 81 ILE CA C 13 64.018 . . . . . . . . 156 ILE CA . 51723 2 251 . 1 . 1 81 81 ILE CB C 13 39.222 . . . . . . . . 156 ILE CB . 51723 2 252 . 1 . 1 81 81 ILE N N 15 128.414 . . . . . . . . 156 ILE N . 51723 2 253 . 1 . 1 82 82 SER H H 1 7.723 . . . . . . . . 157 SER H . 51723 2 254 . 1 . 1 82 82 SER CA C 13 57.452 . . . . . . . . 157 SER CA . 51723 2 255 . 1 . 1 82 82 SER CB C 13 64.228 . . . . . . . . 157 SER CB . 51723 2 256 . 1 . 1 82 82 SER N N 15 110.548 . . . . . . . . 157 SER N . 51723 2 257 . 1 . 1 83 83 GLY H H 1 8.427 . . . . . . . . 158 GLY H . 51723 2 258 . 1 . 1 83 83 GLY CA C 13 44.657 . . . . . . . . 158 GLY CA . 51723 2 259 . 1 . 1 83 83 GLY N N 15 108.127 . . . . . . . . 158 GLY N . 51723 2 260 . 1 . 1 87 87 LEU H H 1 6.848 . . . . . . . . 162 LEU H . 51723 2 261 . 1 . 1 87 87 LEU N N 15 118.679 . . . . . . . . 162 LEU N . 51723 2 262 . 1 . 1 88 88 PRO CA C 13 62.489 . . . . . . . . 163 PRO CA . 51723 2 263 . 1 . 1 88 88 PRO CB C 13 33.827 . . . . . . . . 163 PRO CB . 51723 2 264 . 1 . 1 89 89 LEU H H 1 8.904 . . . . . . . . 164 LEU H . 51723 2 265 . 1 . 1 89 89 LEU CA C 13 54.552 . . . . . . . . 164 LEU CA . 51723 2 266 . 1 . 1 89 89 LEU CB C 13 40.846 . . . . . . . . 164 LEU CB . 51723 2 267 . 1 . 1 89 89 LEU N N 15 120.787 . . . . . . . . 164 LEU N . 51723 2 268 . 1 . 1 90 90 LYS H H 1 8.587 . . . . . . . . 165 LYS H . 51723 2 269 . 1 . 1 90 90 LYS CA C 13 57.172 . . . . . . . . 165 LYS CA . 51723 2 270 . 1 . 1 90 90 LYS CB C 13 33.563 . . . . . . . . 165 LYS CB . 51723 2 271 . 1 . 1 90 90 LYS N N 15 124.411 . . . . . . . . 165 LYS N . 51723 2 272 . 1 . 1 91 91 GLN H H 1 8.342 . . . . . . . . 166 GLN H . 51723 2 273 . 1 . 1 91 91 GLN CA C 13 56.491 . . . . . . . . 166 GLN CA . 51723 2 274 . 1 . 1 91 91 GLN CB C 13 30.428 . . . . . . . . 166 GLN CB . 51723 2 275 . 1 . 1 91 91 GLN N N 15 122.722 . . . . . . . . 166 GLN N . 51723 2 276 . 1 . 1 92 92 TYR H H 1 8.685 . . . . . . . . 167 TYR H . 51723 2 277 . 1 . 1 92 92 TYR CA C 13 57.475 . . . . . . . . 167 TYR CA . 51723 2 278 . 1 . 1 92 92 TYR CB C 13 40.694 . . . . . . . . 167 TYR CB . 51723 2 279 . 1 . 1 92 92 TYR N N 15 123.385 . . . . . . . . 167 TYR N . 51723 2 280 . 1 . 1 93 93 LYS H H 1 8.719 . . . . . . . . 168 LYS H . 51723 2 281 . 1 . 1 93 93 LYS CA C 13 55.238 . . . . . . . . 168 LYS CA . 51723 2 282 . 1 . 1 93 93 LYS CB C 13 33.349 . . . . . . . . 168 LYS CB . 51723 2 283 . 1 . 1 93 93 LYS N N 15 121.455 . . . . . . . . 168 LYS N . 51723 2 284 . 1 . 1 94 94 VAL H H 1 8.384 . . . . . . . . 169 VAL H . 51723 2 285 . 1 . 1 94 94 VAL CA C 13 59.166 . . . . . . . . 169 VAL CA . 51723 2 286 . 1 . 1 94 94 VAL CB C 13 34.035 . . . . . . . . 169 VAL CB . 51723 2 287 . 1 . 1 94 94 VAL N N 15 119.500 . . . . . . . . 169 VAL N . 51723 2 288 . 1 . 1 95 95 LYS H H 1 8.416 . . . . . . . . 170 LYS H . 51723 2 289 . 1 . 1 95 95 LYS CA C 13 54.328 . . . . . . . . 170 LYS CA . 51723 2 290 . 1 . 1 95 95 LYS CB C 13 35.775 . . . . . . . . 170 LYS CB . 51723 2 291 . 1 . 1 95 95 LYS N N 15 124.597 . . . . . . . . 170 LYS N . 51723 2 292 . 1 . 1 96 96 ILE H H 1 8.387 . . . . . . . . 171 ILE H . 51723 2 293 . 1 . 1 96 96 ILE CA C 13 59.083 . . . . . . . . 171 ILE CA . 51723 2 294 . 1 . 1 96 96 ILE CB C 13 37.507 . . . . . . . . 171 ILE CB . 51723 2 295 . 1 . 1 96 96 ILE N N 15 119.953 . . . . . . . . 171 ILE N . 51723 2 296 . 1 . 1 97 97 GLU H H 1 9.082 . . . . . . . . 172 GLU H . 51723 2 297 . 1 . 1 97 97 GLU CA C 13 55.375 . . . . . . . . 172 GLU CA . 51723 2 298 . 1 . 1 97 97 GLU CB C 13 33.470 . . . . . . . . 172 GLU CB . 51723 2 299 . 1 . 1 97 97 GLU N N 15 128.646 . . . . . . . . 172 GLU N . 51723 2 300 . 1 . 1 98 98 ASP CA C 13 55.219 . . . . . . . . 173 ASP CA . 51723 2 301 . 1 . 1 98 98 ASP CB C 13 40.018 . . . . . . . . 173 ASP CB . 51723 2 302 . 1 . 1 99 99 GLY H H 1 8.438 . . . . . . . . 174 GLY H . 51723 2 303 . 1 . 1 99 99 GLY CA C 13 45.712 . . . . . . . . 174 GLY CA . 51723 2 304 . 1 . 1 99 99 GLY N N 15 101.753 . . . . . . . . 174 GLY N . 51723 2 305 . 1 . 1 100 100 LYS H H 1 8.009 . . . . . . . . 175 LYS H . 51723 2 306 . 1 . 1 100 100 LYS CA C 13 54.473 . . . . . . . . 175 LYS CA . 51723 2 307 . 1 . 1 100 100 LYS CB C 13 34.784 . . . . . . . . 175 LYS CB . 51723 2 308 . 1 . 1 100 100 LYS N N 15 121.423 . . . . . . . . 175 LYS N . 51723 2 309 . 1 . 1 101 101 ILE H H 1 8.778 . . . . . . . . 176 ILE H . 51723 2 310 . 1 . 1 101 101 ILE CA C 13 61.625 . . . . . . . . 176 ILE CA . 51723 2 311 . 1 . 1 101 101 ILE CB C 13 37.743 . . . . . . . . 176 ILE CB . 51723 2 312 . 1 . 1 101 101 ILE N N 15 121.186 . . . . . . . . 176 ILE N . 51723 2 313 . 1 . 1 102 102 VAL H H 1 9.065 . . . . . . . . 177 VAL H . 51723 2 314 . 1 . 1 102 102 VAL CA C 13 61.352 . . . . . . . . 177 VAL CA . 51723 2 315 . 1 . 1 102 102 VAL CB C 13 32.935 . . . . . . . . 177 VAL CB . 51723 2 316 . 1 . 1 102 102 VAL N N 15 129.012 . . . . . . . . 177 VAL N . 51723 2 317 . 1 . 1 103 103 VAL H H 1 8.545 . . . . . . . . 178 VAL H . 51723 2 318 . 1 . 1 103 103 VAL CA C 13 60.194 . . . . . . . . 178 VAL CA . 51723 2 319 . 1 . 1 103 103 VAL CB C 13 33.475 . . . . . . . . 178 VAL CB . 51723 2 320 . 1 . 1 103 103 VAL N N 15 130.171 . . . . . . . . 178 VAL N . 51723 2 321 . 1 . 1 104 104 SER H H 1 9.072 . . . . . . . . 179 SER H . 51723 2 322 . 1 . 1 104 104 SER CA C 13 56.767 . . . . . . . . 179 SER CA . 51723 2 323 . 1 . 1 104 104 SER CB C 13 66.391 . . . . . . . . 179 SER CB . 51723 2 324 . 1 . 1 104 104 SER N N 15 117.923 . . . . . . . . 179 SER N . 51723 2 325 . 1 . 1 105 105 ILE H H 1 8.190 . . . . . . . . 180 ILE H . 51723 2 326 . 1 . 1 105 105 ILE CA C 13 61.730 . . . . . . . . 180 ILE CA . 51723 2 327 . 1 . 1 105 105 ILE CB C 13 39.344 . . . . . . . . 180 ILE CB . 51723 2 328 . 1 . 1 105 105 ILE N N 15 119.233 . . . . . . . . 180 ILE N . 51723 2 329 . 1 . 1 106 106 ALA H H 1 8.616 . . . . . . . . 181 ALA H . 51723 2 330 . 1 . 1 106 106 ALA CA C 13 52.119 . . . . . . . . 181 ALA CA . 51723 2 331 . 1 . 1 106 106 ALA CB C 13 19.579 . . . . . . . . 181 ALA CB . 51723 2 332 . 1 . 1 106 106 ALA N N 15 129.022 . . . . . . . . 181 ALA N . 51723 2 333 . 1 . 1 107 107 LYS CA C 13 56.154 . . . . . . . . 182 LYS CA . 51723 2 334 . 1 . 1 107 107 LYS CB C 13 33.276 . . . . . . . . 182 LYS CB . 51723 2 335 . 1 . 1 108 108 LEU H H 1 8.331 . . . . . . . . 183 LEU H . 51723 2 336 . 1 . 1 108 108 LEU CA C 13 55.023 . . . . . . . . 183 LEU CA . 51723 2 337 . 1 . 1 108 108 LEU CB C 13 42.555 . . . . . . . . 183 LEU CB . 51723 2 338 . 1 . 1 108 108 LEU N N 15 124.818 . . . . . . . . 183 LEU N . 51723 2 339 . 1 . 1 109 109 ALA H H 1 8.338 . . . . . . . . 184 ALA H . 51723 2 340 . 1 . 1 109 109 ALA CA C 13 52.558 . . . . . . . . 184 ALA CA . 51723 2 341 . 1 . 1 109 109 ALA CB C 13 19.301 . . . . . . . . 184 ALA CB . 51723 2 342 . 1 . 1 109 109 ALA N N 15 125.494 . . . . . . . . 184 ALA N . 51723 2 343 . 1 . 1 110 110 ALA CA C 13 52.603 . . . . . . . . 185 ALA CA . 51723 2 344 . 1 . 1 110 110 ALA CB C 13 19.362 . . . . . . . . 185 ALA CB . 51723 2 345 . 1 . 1 111 111 ALA H H 1 8.215 . . . . . . . . 186 ALA H . 51723 2 346 . 1 . 1 111 111 ALA CA C 13 52.544 . . . . . . . . 186 ALA CA . 51723 2 347 . 1 . 1 111 111 ALA CB C 13 19.252 . . . . . . . . 186 ALA CB . 51723 2 348 . 1 . 1 111 111 ALA N N 15 123.086 . . . . . . . . 186 ALA N . 51723 2 349 . 1 . 1 112 112 LEU H H 1 8.130 . . . . . . . . 187 LEU H . 51723 2 350 . 1 . 1 112 112 LEU CA C 13 55.192 . . . . . . . . 187 LEU CA . 51723 2 351 . 1 . 1 112 112 LEU CB C 13 42.365 . . . . . . . . 187 LEU CB . 51723 2 352 . 1 . 1 112 112 LEU N N 15 121.011 . . . . . . . . 187 LEU N . 51723 2 353 . 1 . 1 113 113 GLU H H 1 8.284 . . . . . . . . 188 GLU H . 51723 2 354 . 1 . 1 113 113 GLU CA C 13 56.559 . . . . . . . . 188 GLU CA . 51723 2 355 . 1 . 1 113 113 GLU CB C 13 30.424 . . . . . . . . 188 GLU CB . 51723 2 356 . 1 . 1 113 113 GLU N N 15 121.244 . . . . . . . . 188 GLU N . 51723 2 stop_ save_ save_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 51723 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name assigned_chem_shift_list_3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D CBCA(CO)NH' . . . 51723 3 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51723 3 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 LYS CA C 13 56.184 . . . . . . . . 78 LYS CA . 51723 3 2 . 1 . 1 3 3 LYS CB C 13 33.142 . . . . . . . . 78 LYS CB . 51723 3 3 . 1 . 1 4 4 ILE H H 1 8.207 . . . . . . . . 79 ILE H . 51723 3 4 . 1 . 1 4 4 ILE CA C 13 60.833 . . . . . . . . 79 ILE CA . 51723 3 5 . 1 . 1 4 4 ILE CB C 13 39.109 . . . . . . . . 79 ILE CB . 51723 3 6 . 1 . 1 4 4 ILE N N 15 123.225 . . . . . . . . 79 ILE N . 51723 3 7 . 1 . 1 5 5 LYS H H 1 8.369 . . . . . . . . 80 LYS H . 51723 3 8 . 1 . 1 5 5 LYS CA C 13 56.100 . . . . . . . . 80 LYS CA . 51723 3 9 . 1 . 1 5 5 LYS CB C 13 33.234 . . . . . . . . 80 LYS CB . 51723 3 10 . 1 . 1 5 5 LYS N N 15 126.589 . . . . . . . . 80 LYS N . 51723 3 11 . 1 . 1 6 6 ILE H H 1 8.193 . . . . . . . . 81 ILE H . 51723 3 12 . 1 . 1 6 6 ILE CA C 13 60.468 . . . . . . . . 81 ILE CA . 51723 3 13 . 1 . 1 6 6 ILE CB C 13 38.713 . . . . . . . . 81 ILE CB . 51723 3 14 . 1 . 1 6 6 ILE N N 15 124.484 . . . . . . . . 81 ILE N . 51723 3 15 . 1 . 1 7 7 VAL H H 1 8.620 . . . . . . . . 82 VAL H . 51723 3 16 . 1 . 1 7 7 VAL N N 15 123.799 . . . . . . . . 82 VAL N . 51723 3 17 . 1 . 1 8 8 ASN CA C 13 54.389 . . . . . . . . 83 ASN CA . 51723 3 18 . 1 . 1 8 8 ASN CB C 13 39.767 . . . . . . . . 83 ASN CB . 51723 3 19 . 1 . 1 9 9 GLU H H 1 7.536 . . . . . . . . 84 GLU H . 51723 3 20 . 1 . 1 9 9 GLU CA C 13 54.951 . . . . . . . . 84 GLU CA . 51723 3 21 . 1 . 1 9 9 GLU CB C 13 32.933 . . . . . . . . 84 GLU CB . 51723 3 22 . 1 . 1 9 9 GLU N N 15 116.613 . . . . . . . . 84 GLU N . 51723 3 23 . 1 . 1 10 10 LEU H H 1 9.065 . . . . . . . . 85 LEU H . 51723 3 24 . 1 . 1 10 10 LEU CA C 13 54.678 . . . . . . . . 85 LEU CA . 51723 3 25 . 1 . 1 10 10 LEU CB C 13 47.621 . . . . . . . . 85 LEU CB . 51723 3 26 . 1 . 1 10 10 LEU N N 15 124.010 . . . . . . . . 85 LEU N . 51723 3 27 . 1 . 1 11 11 ALA H H 1 8.650 . . . . . . . . 86 ALA H . 51723 3 28 . 1 . 1 11 11 ALA CA C 13 50.649 . . . . . . . . 86 ALA CA . 51723 3 29 . 1 . 1 11 11 ALA CB C 13 17.390 . . . . . . . . 86 ALA CB . 51723 3 30 . 1 . 1 11 11 ALA N N 15 129.021 . . . . . . . . 86 ALA N . 51723 3 31 . 1 . 1 12 12 VAL H H 1 8.378 . . . . . . . . 87 VAL H . 51723 3 32 . 1 . 1 12 12 VAL CA C 13 62.296 . . . . . . . . 87 VAL CA . 51723 3 33 . 1 . 1 12 12 VAL CB C 13 31.773 . . . . . . . . 87 VAL CB . 51723 3 34 . 1 . 1 12 12 VAL N N 15 118.673 . . . . . . . . 87 VAL N . 51723 3 35 . 1 . 1 13 13 GLY H H 1 6.999 . . . . . . . . 88 GLY H . 51723 3 36 . 1 . 1 13 13 GLY N N 15 105.999 . . . . . . . . 88 GLY N . 51723 3 37 . 1 . 1 14 14 PRO CA C 13 62.329 . . . . . . . . 89 PRO CA . 51723 3 38 . 1 . 1 14 14 PRO CB C 13 32.342 . . . . . . . . 89 PRO CB . 51723 3 39 . 1 . 1 15 15 ALA H H 1 8.492 . . . . . . . . 90 ALA H . 51723 3 40 . 1 . 1 15 15 ALA CA C 13 54.970 . . . . . . . . 90 ALA CA . 51723 3 41 . 1 . 1 15 15 ALA CB C 13 17.952 . . . . . . . . 90 ALA CB . 51723 3 42 . 1 . 1 15 15 ALA N N 15 123.482 . . . . . . . . 90 ALA N . 51723 3 43 . 1 . 1 16 16 SER H H 1 8.021 . . . . . . . . 91 SER H . 51723 3 44 . 1 . 1 16 16 SER CA C 13 59.580 . . . . . . . . 91 SER CA . 51723 3 45 . 1 . 1 16 16 SER CB C 13 62.769 . . . . . . . . 91 SER CB . 51723 3 46 . 1 . 1 16 16 SER N N 15 110.340 . . . . . . . . 91 SER N . 51723 3 47 . 1 . 1 17 17 ASP H H 1 7.959 . . . . . . . . 92 ASP H . 51723 3 48 . 1 . 1 17 17 ASP CA C 13 56.180 . . . . . . . . 92 ASP CA . 51723 3 49 . 1 . 1 17 17 ASP CB C 13 41.739 . . . . . . . . 92 ASP CB . 51723 3 50 . 1 . 1 17 17 ASP N N 15 121.463 . . . . . . . . 92 ASP N . 51723 3 51 . 1 . 1 18 18 VAL H H 1 6.979 . . . . . . . . 93 VAL H . 51723 3 52 . 1 . 1 18 18 VAL N N 15 114.027 . . . . . . . . 93 VAL N . 51723 3 53 . 1 . 1 19 19 PRO CA C 13 62.344 . . . . . . . . 94 PRO CA . 51723 3 54 . 1 . 1 19 19 PRO CB C 13 32.921 . . . . . . . . 94 PRO CB . 51723 3 55 . 1 . 1 20 20 ASN H H 1 8.552 . . . . . . . . 95 ASN H . 51723 3 56 . 1 . 1 20 20 ASN CA C 13 55.889 . . . . . . . . 95 ASN CA . 51723 3 57 . 1 . 1 20 20 ASN CB C 13 39.140 . . . . . . . . 95 ASN CB . 51723 3 58 . 1 . 1 20 20 ASN N N 15 117.601 . . . . . . . . 95 ASN N . 51723 3 59 . 1 . 1 21 21 GLY H H 1 9.197 . . . . . . . . 96 GLY H . 51723 3 60 . 1 . 1 21 21 GLY CA C 13 45.348 . . . . . . . . 96 GLY CA . 51723 3 61 . 1 . 1 21 21 GLY N N 15 114.812 . . . . . . . . 96 GLY N . 51723 3 62 . 1 . 1 22 22 THR H H 1 7.792 . . . . . . . . 97 THR H . 51723 3 63 . 1 . 1 22 22 THR CA C 13 60.999 . . . . . . . . 97 THR CA . 51723 3 64 . 1 . 1 22 22 THR CB C 13 73.244 . . . . . . . . 97 THR CB . 51723 3 65 . 1 . 1 22 22 THR N N 15 110.874 . . . . . . . . 97 THR N . 51723 3 66 . 1 . 1 23 23 GLY H H 1 8.389 . . . . . . . . 98 GLY H . 51723 3 67 . 1 . 1 23 23 GLY CA C 13 45.168 . . . . . . . . 98 GLY CA . 51723 3 68 . 1 . 1 23 23 GLY N N 15 104.370 . . . . . . . . 98 GLY N . 51723 3 69 . 1 . 1 24 24 LYS H H 1 8.903 . . . . . . . . 99 LYS H . 51723 3 70 . 1 . 1 24 24 LYS CA C 13 55.559 . . . . . . . . 99 LYS CA . 51723 3 71 . 1 . 1 24 24 LYS CB C 13 37.650 . . . . . . . . 99 LYS CB . 51723 3 72 . 1 . 1 24 24 LYS N N 15 125.089 . . . . . . . . 99 LYS N . 51723 3 73 . 1 . 1 25 25 ILE H H 1 7.980 . . . . . . . . 100 ILE H . 51723 3 74 . 1 . 1 25 25 ILE CA C 13 60.416 . . . . . . . . 100 ILE CA . 51723 3 75 . 1 . 1 25 25 ILE CB C 13 38.559 . . . . . . . . 100 ILE CB . 51723 3 76 . 1 . 1 25 25 ILE N N 15 124.309 . . . . . . . . 100 ILE N . 51723 3 77 . 1 . 1 26 26 TYR H H 1 9.333 . . . . . . . . 101 TYR H . 51723 3 78 . 1 . 1 26 26 TYR CA C 13 56.733 . . . . . . . . 101 TYR CA . 51723 3 79 . 1 . 1 26 26 TYR CB C 13 42.887 . . . . . . . . 101 TYR CB . 51723 3 80 . 1 . 1 26 26 TYR N N 15 125.290 . . . . . . . . 101 TYR N . 51723 3 81 . 1 . 1 27 27 GLN H H 1 8.845 . . . . . . . . 102 GLN H . 51723 3 82 . 1 . 1 27 27 GLN CA C 13 56.384 . . . . . . . . 102 GLN CA . 51723 3 83 . 1 . 1 27 27 GLN CB C 13 29.303 . . . . . . . . 102 GLN CB . 51723 3 84 . 1 . 1 27 27 GLN N N 15 122.574 . . . . . . . . 102 GLN N . 51723 3 85 . 1 . 1 28 28 PHE H H 1 8.437 . . . . . . . . 103 PHE H . 51723 3 86 . 1 . 1 28 28 PHE CA C 13 57.307 . . . . . . . . 103 PHE CA . 51723 3 87 . 1 . 1 28 28 PHE CB C 13 41.064 . . . . . . . . 103 PHE CB . 51723 3 88 . 1 . 1 28 28 PHE N N 15 126.369 . . . . . . . . 103 PHE N . 51723 3 89 . 1 . 1 29 29 ASN H H 1 8.864 . . . . . . . . 104 ASN H . 51723 3 90 . 1 . 1 29 29 ASN CA C 13 55.325 . . . . . . . . 104 ASN CA . 51723 3 91 . 1 . 1 29 29 ASN CB C 13 36.962 . . . . . . . . 104 ASN CB . 51723 3 92 . 1 . 1 29 29 ASN N N 15 123.979 . . . . . . . . 104 ASN N . 51723 3 93 . 1 . 1 30 30 ASP H H 1 8.604 . . . . . . . . 105 ASP H . 51723 3 94 . 1 . 1 30 30 ASP CA C 13 54.564 . . . . . . . . 105 ASP CA . 51723 3 95 . 1 . 1 30 30 ASP CB C 13 40.341 . . . . . . . . 105 ASP CB . 51723 3 96 . 1 . 1 30 30 ASP N N 15 122.103 . . . . . . . . 105 ASP N . 51723 3 97 . 1 . 1 31 31 ASP H H 1 8.380 . . . . . . . . 106 ASP H . 51723 3 98 . 1 . 1 31 31 ASP CA C 13 51.791 . . . . . . . . 106 ASP CA . 51723 3 99 . 1 . 1 31 31 ASP CB C 13 43.720 . . . . . . . . 106 ASP CB . 51723 3 100 . 1 . 1 31 31 ASP N N 15 122.256 . . . . . . . . 106 ASP N . 51723 3 101 . 1 . 1 32 32 LYS H H 1 8.671 . . . . . . . . 107 LYS H . 51723 3 102 . 1 . 1 32 32 LYS CA C 13 54.998 . . . . . . . . 107 LYS CA . 51723 3 103 . 1 . 1 32 32 LYS CB C 13 35.649 . . . . . . . . 107 LYS CB . 51723 3 104 . 1 . 1 32 32 LYS N N 15 120.479 . . . . . . . . 107 LYS N . 51723 3 105 . 1 . 1 33 33 VAL H H 1 9.393 . . . . . . . . 108 VAL H . 51723 3 106 . 1 . 1 33 33 VAL CA C 13 59.727 . . . . . . . . 108 VAL CA . 51723 3 107 . 1 . 1 33 33 VAL CB C 13 35.049 . . . . . . . . 108 VAL CB . 51723 3 108 . 1 . 1 33 33 VAL N N 15 120.173 . . . . . . . . 108 VAL N . 51723 3 109 . 1 . 1 34 34 ILE H H 1 9.698 . . . . . . . . 109 ILE H . 51723 3 110 . 1 . 1 34 34 ILE CA C 13 58.106 . . . . . . . . 109 ILE CA . 51723 3 111 . 1 . 1 34 34 ILE CB C 13 41.240 . . . . . . . . 109 ILE CB . 51723 3 112 . 1 . 1 34 34 ILE N N 15 124.418 . . . . . . . . 109 ILE N . 51723 3 113 . 1 . 1 35 35 VAL H H 1 8.894 . . . . . . . . 110 VAL H . 51723 3 114 . 1 . 1 35 35 VAL CA C 13 60.094 . . . . . . . . 110 VAL CA . 51723 3 115 . 1 . 1 35 35 VAL CB C 13 32.976 . . . . . . . . 110 VAL CB . 51723 3 116 . 1 . 1 35 35 VAL N N 15 131.027 . . . . . . . . 110 VAL N . 51723 3 117 . 1 . 1 36 36 VAL H H 1 8.519 . . . . . . . . 111 VAL H . 51723 3 118 . 1 . 1 36 36 VAL CA C 13 60.800 . . . . . . . . 111 VAL CA . 51723 3 119 . 1 . 1 36 36 VAL CB C 13 34.059 . . . . . . . . 111 VAL CB . 51723 3 120 . 1 . 1 36 36 VAL N N 15 125.468 . . . . . . . . 111 VAL N . 51723 3 121 . 1 . 1 37 37 ASN H H 1 7.812 . . . . . . . . 112 ASN H . 51723 3 122 . 1 . 1 37 37 ASN CA C 13 50.310 . . . . . . . . 112 ASN CA . 51723 3 123 . 1 . 1 37 37 ASN CB C 13 39.890 . . . . . . . . 112 ASN CB . 51723 3 124 . 1 . 1 37 37 ASN N N 15 123.013 . . . . . . . . 112 ASN N . 51723 3 125 . 1 . 1 38 38 HIS H H 1 8.363 . . . . . . . . 113 HIS H . 51723 3 126 . 1 . 1 38 38 HIS CA C 13 55.997 . . . . . . . . 113 HIS CA . 51723 3 127 . 1 . 1 38 38 HIS CB C 13 30.837 . . . . . . . . 113 HIS CB . 51723 3 128 . 1 . 1 38 38 HIS N N 15 121.628 . . . . . . . . 113 HIS N . 51723 3 129 . 1 . 1 39 39 GLY H H 1 8.683 . . . . . . . . 114 GLY H . 51723 3 130 . 1 . 1 39 39 GLY CA C 13 46.580 . . . . . . . . 114 GLY CA . 51723 3 131 . 1 . 1 39 39 GLY N N 15 117.332 . . . . . . . . 114 GLY N . 51723 3 132 . 1 . 1 40 40 GLY H H 1 8.870 . . . . . . . . 115 GLY H . 51723 3 133 . 1 . 1 40 40 GLY CA C 13 45.093 . . . . . . . . 115 GLY CA . 51723 3 134 . 1 . 1 40 40 GLY N N 15 107.750 . . . . . . . . 115 GLY N . 51723 3 135 . 1 . 1 41 41 SER H H 1 7.744 . . . . . . . . 116 SER H . 51723 3 136 . 1 . 1 41 41 SER CA C 13 57.233 . . . . . . . . 116 SER CA . 51723 3 137 . 1 . 1 41 41 SER CB C 13 64.953 . . . . . . . . 116 SER CB . 51723 3 138 . 1 . 1 41 41 SER N N 15 116.054 . . . . . . . . 116 SER N . 51723 3 139 . 1 . 1 42 42 LEU H H 1 8.270 . . . . . . . . 117 LEU H . 51723 3 140 . 1 . 1 42 42 LEU CA C 13 53.570 . . . . . . . . 117 LEU CA . 51723 3 141 . 1 . 1 42 42 LEU CB C 13 44.555 . . . . . . . . 117 LEU CB . 51723 3 142 . 1 . 1 42 42 LEU N N 15 127.562 . . . . . . . . 117 LEU N . 51723 3 143 . 1 . 1 43 43 THR H H 1 8.886 . . . . . . . . 118 THR H . 51723 3 144 . 1 . 1 43 43 THR CA C 13 60.026 . . . . . . . . 118 THR CA . 51723 3 145 . 1 . 1 43 43 THR CB C 13 72.720 . . . . . . . . 118 THR CB . 51723 3 146 . 1 . 1 43 43 THR N N 15 115.672 . . . . . . . . 118 THR N . 51723 3 147 . 1 . 1 44 44 ALA H H 1 8.806 . . . . . . . . 119 ALA H . 51723 3 148 . 1 . 1 44 44 ALA CA C 13 51.196 . . . . . . . . 119 ALA CA . 51723 3 149 . 1 . 1 44 44 ALA CB C 13 22.287 . . . . . . . . 119 ALA CB . 51723 3 150 . 1 . 1 44 44 ALA N N 15 121.582 . . . . . . . . 119 ALA N . 51723 3 151 . 1 . 1 45 45 VAL H H 1 8.054 . . . . . . . . 120 VAL H . 51723 3 152 . 1 . 1 45 45 VAL CA C 13 57.724 . . . . . . . . 120 VAL CA . 51723 3 153 . 1 . 1 45 45 VAL CB C 13 36.417 . . . . . . . . 120 VAL CB . 51723 3 154 . 1 . 1 45 45 VAL N N 15 113.862 . . . . . . . . 120 VAL N . 51723 3 155 . 1 . 1 46 46 SER H H 1 8.994 . . . . . . . . 121 SER H . 51723 3 156 . 1 . 1 46 46 SER CA C 13 59.307 . . . . . . . . 121 SER CA . 51723 3 157 . 1 . 1 46 46 SER CB C 13 63.953 . . . . . . . . 121 SER CB . 51723 3 158 . 1 . 1 46 46 SER N N 15 114.463 . . . . . . . . 121 SER N . 51723 3 159 . 1 . 1 47 47 ALA H H 1 9.116 . . . . . . . . 122 ALA H . 51723 3 160 . 1 . 1 47 47 ALA CA C 13 50.188 . . . . . . . . 122 ALA CA . 51723 3 161 . 1 . 1 47 47 ALA CB C 13 20.796 . . . . . . . . 122 ALA CB . 51723 3 162 . 1 . 1 47 47 ALA N N 15 123.140 . . . . . . . . 122 ALA N . 51723 3 163 . 1 . 1 48 48 ILE H H 1 7.597 . . . . . . . . 123 ILE H . 51723 3 164 . 1 . 1 48 48 ILE N N 15 119.311 . . . . . . . . 123 ILE N . 51723 3 165 . 1 . 1 49 49 CYS CA C 13 55.109 . . . . . . . . 124 CYS CA . 51723 3 166 . 1 . 1 49 49 CYS CB C 13 42.261 . . . . . . . . 124 CYS CB . 51723 3 167 . 1 . 1 50 50 THR H H 1 9.561 . . . . . . . . 125 THR H . 51723 3 168 . 1 . 1 50 50 THR CA C 13 61.834 . . . . . . . . 125 THR CA . 51723 3 169 . 1 . 1 50 50 THR CB C 13 71.836 . . . . . . . . 125 THR CB . 51723 3 170 . 1 . 1 50 50 THR N N 15 111.894 . . . . . . . . 125 THR N . 51723 3 171 . 1 . 1 51 51 HIS H H 1 9.249 . . . . . . . . 126 HIS H . 51723 3 172 . 1 . 1 51 51 HIS N N 15 119.933 . . . . . . . . 126 HIS N . 51723 3 173 . 1 . 1 54 54 CYS CA C 13 58.371 . . . . . . . . 129 CYS CA . 51723 3 174 . 1 . 1 55 55 LEU H H 1 8.297 . . . . . . . . 130 LEU H . 51723 3 175 . 1 . 1 55 55 LEU CA C 13 54.418 . . . . . . . . 130 LEU CA . 51723 3 176 . 1 . 1 55 55 LEU CB C 13 42.357 . . . . . . . . 130 LEU CB . 51723 3 177 . 1 . 1 55 55 LEU N N 15 120.122 . . . . . . . . 130 LEU N . 51723 3 178 . 1 . 1 56 56 VAL H H 1 7.910 . . . . . . . . 131 VAL H . 51723 3 179 . 1 . 1 56 56 VAL N N 15 116.292 . . . . . . . . 131 VAL N . 51723 3 180 . 1 . 1 57 57 HIS H H 1 8.145 . . . . . . . . 132 HIS H . 51723 3 181 . 1 . 1 57 57 HIS CA C 13 54.623 . . . . . . . . 132 HIS CA . 51723 3 182 . 1 . 1 57 57 HIS CB C 13 33.574 . . . . . . . . 132 HIS CB . 51723 3 183 . 1 . 1 57 57 HIS N N 15 111.354 . . . . . . . . 132 HIS N . 51723 3 184 . 1 . 1 58 58 TRP H H 1 8.817 . . . . . . . . 133 TRP H . 51723 3 185 . 1 . 1 58 58 TRP HE1 H 1 10.903 . . . . . . . . 133 TRP HE1 . 51723 3 186 . 1 . 1 58 58 TRP CA C 13 56.078 . . . . . . . . 133 TRP CA . 51723 3 187 . 1 . 1 58 58 TRP CB C 13 31.245 . . . . . . . . 133 TRP CB . 51723 3 188 . 1 . 1 58 58 TRP N N 15 119.846 . . . . . . . . 133 TRP N . 51723 3 189 . 1 . 1 58 58 TRP NE1 N 15 128.892 . . . . . . . . 133 TRP NE1 . 51723 3 190 . 1 . 1 59 59 ASP H H 1 8.219 . . . . . . . . 134 ASP H . 51723 3 191 . 1 . 1 59 59 ASP CA C 13 51.684 . . . . . . . . 134 ASP CA . 51723 3 192 . 1 . 1 59 59 ASP CB C 13 41.620 . . . . . . . . 134 ASP CB . 51723 3 193 . 1 . 1 59 59 ASP N N 15 130.830 . . . . . . . . 134 ASP N . 51723 3 194 . 1 . 1 60 60 GLU H H 1 8.057 . . . . . . . . 135 GLU H . 51723 3 195 . 1 . 1 60 60 GLU CA C 13 43.628 . . . . . . . . 135 GLU CA . 51723 3 196 . 1 . 1 60 60 GLU N N 15 125.114 . . . . . . . . 135 GLU N . 51723 3 197 . 1 . 1 61 61 ALA H H 1 7.975 . . . . . . . . 136 ALA H . 51723 3 198 . 1 . 1 61 61 ALA CA C 13 54.341 . . . . . . . . 136 ALA CA . 51723 3 199 . 1 . 1 61 61 ALA CB C 13 18.285 . . . . . . . . 136 ALA CB . 51723 3 200 . 1 . 1 61 61 ALA N N 15 120.285 . . . . . . . . 136 ALA N . 51723 3 201 . 1 . 1 62 62 ALA H H 1 7.241 . . . . . . . . 137 ALA H . 51723 3 202 . 1 . 1 62 62 ALA CA C 13 51.125 . . . . . . . . 137 ALA CA . 51723 3 203 . 1 . 1 62 62 ALA CB C 13 20.054 . . . . . . . . 137 ALA CB . 51723 3 204 . 1 . 1 62 62 ALA N N 15 118.291 . . . . . . . . 137 ALA N . 51723 3 205 . 1 . 1 63 63 ASP H H 1 7.744 . . . . . . . . 138 ASP H . 51723 3 206 . 1 . 1 63 63 ASP CA C 13 54.576 . . . . . . . . 138 ASP CA . 51723 3 207 . 1 . 1 63 63 ASP CB C 13 39.185 . . . . . . . . 138 ASP CB . 51723 3 208 . 1 . 1 63 63 ASP N N 15 120.420 . . . . . . . . 138 ASP N . 51723 3 209 . 1 . 1 64 64 MET H H 1 6.575 . . . . . . . . 139 MET H . 51723 3 210 . 1 . 1 64 64 MET CA C 13 55.638 . . . . . . . . 139 MET CA . 51723 3 211 . 1 . 1 64 64 MET CB C 13 35.484 . . . . . . . . 139 MET CB . 51723 3 212 . 1 . 1 64 64 MET N N 15 112.984 . . . . . . . . 139 MET N . 51723 3 213 . 1 . 1 65 65 ILE H H 1 8.903 . . . . . . . . 140 ILE H . 51723 3 214 . 1 . 1 65 65 ILE CA C 13 61.639 . . . . . . . . 140 ILE CA . 51723 3 215 . 1 . 1 65 65 ILE N N 15 121.082 . . . . . . . . 140 ILE N . 51723 3 216 . 1 . 1 66 66 ALA H H 1 8.751 . . . . . . . . 141 ALA H . 51723 3 217 . 1 . 1 66 66 ALA N N 15 132.241 . . . . . . . . 141 ALA N . 51723 3 218 . 1 . 1 76 76 GLN CA C 13 59.516 . . . . . . . . 151 GLN CA . 51723 3 219 . 1 . 1 76 76 GLN CB C 13 28.540 . . . . . . . . 151 GLN CB . 51723 3 220 . 1 . 1 77 77 ASP H H 1 7.835 . . . . . . . . 152 ASP H . 51723 3 221 . 1 . 1 77 77 ASP CA C 13 52.500 . . . . . . . . 152 ASP CA . 51723 3 222 . 1 . 1 77 77 ASP CB C 13 39.506 . . . . . . . . 152 ASP CB . 51723 3 223 . 1 . 1 77 77 ASP N N 15 108.715 . . . . . . . . 152 ASP N . 51723 3 224 . 1 . 1 78 78 GLY H H 1 8.420 . . . . . . . . 153 GLY H . 51723 3 225 . 1 . 1 78 78 GLY CA C 13 47.364 . . . . . . . . 153 GLY CA . 51723 3 226 . 1 . 1 78 78 GLY N N 15 108.266 . . . . . . . . 153 GLY N . 51723 3 227 . 1 . 1 79 79 LYS H H 1 7.983 . . . . . . . . 154 LYS H . 51723 3 228 . 1 . 1 79 79 LYS CA C 13 56.625 . . . . . . . . 154 LYS CA . 51723 3 229 . 1 . 1 79 79 LYS CB C 13 31.824 . . . . . . . . 154 LYS CB . 51723 3 230 . 1 . 1 79 79 LYS N N 15 118.473 . . . . . . . . 154 LYS N . 51723 3 231 . 1 . 1 80 80 ILE H H 1 8.700 . . . . . . . . 155 ILE H . 51723 3 232 . 1 . 1 80 80 ILE CA C 13 65.455 . . . . . . . . 155 ILE CA . 51723 3 233 . 1 . 1 80 80 ILE CB C 13 39.407 . . . . . . . . 155 ILE CB . 51723 3 234 . 1 . 1 80 80 ILE N N 15 120.802 . . . . . . . . 155 ILE N . 51723 3 235 . 1 . 1 81 81 ILE H H 1 8.518 . . . . . . . . 156 ILE H . 51723 3 236 . 1 . 1 81 81 ILE CA C 13 64.051 . . . . . . . . 156 ILE CA . 51723 3 237 . 1 . 1 81 81 ILE CB C 13 39.291 . . . . . . . . 156 ILE CB . 51723 3 238 . 1 . 1 81 81 ILE N N 15 128.415 . . . . . . . . 156 ILE N . 51723 3 239 . 1 . 1 82 82 SER H H 1 7.719 . . . . . . . . 157 SER H . 51723 3 240 . 1 . 1 82 82 SER CA C 13 57.506 . . . . . . . . 157 SER CA . 51723 3 241 . 1 . 1 82 82 SER CB C 13 64.356 . . . . . . . . 157 SER CB . 51723 3 242 . 1 . 1 82 82 SER N N 15 110.449 . . . . . . . . 157 SER N . 51723 3 243 . 1 . 1 83 83 GLY H H 1 8.422 . . . . . . . . 158 GLY H . 51723 3 244 . 1 . 1 83 83 GLY N N 15 107.958 . . . . . . . . 158 GLY N . 51723 3 245 . 1 . 1 87 87 LEU H H 1 6.848 . . . . . . . . 162 LEU H . 51723 3 246 . 1 . 1 87 87 LEU N N 15 118.679 . . . . . . . . 162 LEU N . 51723 3 247 . 1 . 1 88 88 PRO CA C 13 62.565 . . . . . . . . 163 PRO CA . 51723 3 248 . 1 . 1 88 88 PRO CB C 13 33.923 . . . . . . . . 163 PRO CB . 51723 3 249 . 1 . 1 89 89 LEU H H 1 8.898 . . . . . . . . 164 LEU H . 51723 3 250 . 1 . 1 89 89 LEU CA C 13 54.623 . . . . . . . . 164 LEU CA . 51723 3 251 . 1 . 1 89 89 LEU CB C 13 40.930 . . . . . . . . 164 LEU CB . 51723 3 252 . 1 . 1 89 89 LEU N N 15 120.667 . . . . . . . . 164 LEU N . 51723 3 253 . 1 . 1 90 90 LYS H H 1 8.578 . . . . . . . . 165 LYS H . 51723 3 254 . 1 . 1 90 90 LYS CA C 13 57.356 . . . . . . . . 165 LYS CA . 51723 3 255 . 1 . 1 90 90 LYS CB C 13 33.581 . . . . . . . . 165 LYS CB . 51723 3 256 . 1 . 1 90 90 LYS N N 15 124.464 . . . . . . . . 165 LYS N . 51723 3 257 . 1 . 1 91 91 GLN H H 1 8.338 . . . . . . . . 166 GLN H . 51723 3 258 . 1 . 1 91 91 GLN CA C 13 56.535 . . . . . . . . 166 GLN CA . 51723 3 259 . 1 . 1 91 91 GLN CB C 13 30.446 . . . . . . . . 166 GLN CB . 51723 3 260 . 1 . 1 91 91 GLN N N 15 122.636 . . . . . . . . 166 GLN N . 51723 3 261 . 1 . 1 92 92 TYR H H 1 8.677 . . . . . . . . 167 TYR H . 51723 3 262 . 1 . 1 92 92 TYR CA C 13 57.563 . . . . . . . . 167 TYR CA . 51723 3 263 . 1 . 1 92 92 TYR CB C 13 40.767 . . . . . . . . 167 TYR CB . 51723 3 264 . 1 . 1 92 92 TYR N N 15 123.360 . . . . . . . . 167 TYR N . 51723 3 265 . 1 . 1 93 93 LYS H H 1 8.715 . . . . . . . . 168 LYS H . 51723 3 266 . 1 . 1 93 93 LYS CA C 13 55.330 . . . . . . . . 168 LYS CA . 51723 3 267 . 1 . 1 93 93 LYS CB C 13 33.460 . . . . . . . . 168 LYS CB . 51723 3 268 . 1 . 1 93 93 LYS N N 15 121.349 . . . . . . . . 168 LYS N . 51723 3 269 . 1 . 1 94 94 VAL H H 1 8.378 . . . . . . . . 169 VAL H . 51723 3 270 . 1 . 1 94 94 VAL CA C 13 59.296 . . . . . . . . 169 VAL CA . 51723 3 271 . 1 . 1 94 94 VAL CB C 13 34.028 . . . . . . . . 169 VAL CB . 51723 3 272 . 1 . 1 94 94 VAL N N 15 119.461 . . . . . . . . 169 VAL N . 51723 3 273 . 1 . 1 95 95 LYS H H 1 8.410 . . . . . . . . 170 LYS H . 51723 3 274 . 1 . 1 95 95 LYS CA C 13 54.323 . . . . . . . . 170 LYS CA . 51723 3 275 . 1 . 1 95 95 LYS CB C 13 35.754 . . . . . . . . 170 LYS CB . 51723 3 276 . 1 . 1 95 95 LYS N N 15 124.490 . . . . . . . . 170 LYS N . 51723 3 277 . 1 . 1 96 96 ILE H H 1 8.383 . . . . . . . . 171 ILE H . 51723 3 278 . 1 . 1 96 96 ILE CA C 13 59.263 . . . . . . . . 171 ILE CA . 51723 3 279 . 1 . 1 96 96 ILE CB C 13 37.625 . . . . . . . . 171 ILE CB . 51723 3 280 . 1 . 1 96 96 ILE N N 15 119.888 . . . . . . . . 171 ILE N . 51723 3 281 . 1 . 1 97 97 GLU H H 1 9.073 . . . . . . . . 172 GLU H . 51723 3 282 . 1 . 1 97 97 GLU N N 15 128.661 . . . . . . . . 172 GLU N . 51723 3 283 . 1 . 1 98 98 ASP CA C 13 55.301 . . . . . . . . 173 ASP CA . 51723 3 284 . 1 . 1 98 98 ASP CB C 13 40.018 . . . . . . . . 173 ASP CB . 51723 3 285 . 1 . 1 99 99 GLY H H 1 8.433 . . . . . . . . 174 GLY H . 51723 3 286 . 1 . 1 99 99 GLY CA C 13 45.796 . . . . . . . . 174 GLY CA . 51723 3 287 . 1 . 1 99 99 GLY N N 15 101.650 . . . . . . . . 174 GLY N . 51723 3 288 . 1 . 1 100 100 LYS H H 1 8.002 . . . . . . . . 175 LYS H . 51723 3 289 . 1 . 1 100 100 LYS CA C 13 54.570 . . . . . . . . 175 LYS CA . 51723 3 290 . 1 . 1 100 100 LYS CB C 13 34.816 . . . . . . . . 175 LYS CB . 51723 3 291 . 1 . 1 100 100 LYS N N 15 121.303 . . . . . . . . 175 LYS N . 51723 3 292 . 1 . 1 101 101 ILE H H 1 8.773 . . . . . . . . 176 ILE H . 51723 3 293 . 1 . 1 101 101 ILE CA C 13 61.663 . . . . . . . . 176 ILE CA . 51723 3 294 . 1 . 1 101 101 ILE CB C 13 37.646 . . . . . . . . 176 ILE CB . 51723 3 295 . 1 . 1 101 101 ILE N N 15 121.034 . . . . . . . . 176 ILE N . 51723 3 296 . 1 . 1 102 102 VAL H H 1 9.055 . . . . . . . . 177 VAL H . 51723 3 297 . 1 . 1 102 102 VAL CA C 13 61.502 . . . . . . . . 177 VAL CA . 51723 3 298 . 1 . 1 102 102 VAL CB C 13 32.969 . . . . . . . . 177 VAL CB . 51723 3 299 . 1 . 1 102 102 VAL N N 15 129.126 . . . . . . . . 177 VAL N . 51723 3 300 . 1 . 1 103 103 VAL H H 1 8.543 . . . . . . . . 178 VAL H . 51723 3 301 . 1 . 1 103 103 VAL CA C 13 60.268 . . . . . . . . 178 VAL CA . 51723 3 302 . 1 . 1 103 103 VAL CB C 13 33.434 . . . . . . . . 178 VAL CB . 51723 3 303 . 1 . 1 103 103 VAL N N 15 130.139 . . . . . . . . 178 VAL N . 51723 3 304 . 1 . 1 104 104 SER H H 1 9.067 . . . . . . . . 179 SER H . 51723 3 305 . 1 . 1 104 104 SER CA C 13 56.846 . . . . . . . . 179 SER CA . 51723 3 306 . 1 . 1 104 104 SER CB C 13 66.620 . . . . . . . . 179 SER CB . 51723 3 307 . 1 . 1 104 104 SER N N 15 117.888 . . . . . . . . 179 SER N . 51723 3 308 . 1 . 1 105 105 ILE H H 1 8.185 . . . . . . . . 180 ILE H . 51723 3 309 . 1 . 1 105 105 ILE CA C 13 61.802 . . . . . . . . 180 ILE CA . 51723 3 310 . 1 . 1 105 105 ILE CB C 13 39.317 . . . . . . . . 180 ILE CB . 51723 3 311 . 1 . 1 105 105 ILE N N 15 119.174 . . . . . . . . 180 ILE N . 51723 3 312 . 1 . 1 106 106 ALA H H 1 8.611 . . . . . . . . 181 ALA H . 51723 3 313 . 1 . 1 106 106 ALA N N 15 128.956 . . . . . . . . 181 ALA N . 51723 3 314 . 1 . 1 107 107 LYS CA C 13 56.155 . . . . . . . . 182 LYS CA . 51723 3 315 . 1 . 1 107 107 LYS CB C 13 33.371 . . . . . . . . 182 LYS CB . 51723 3 316 . 1 . 1 108 108 LEU H H 1 8.325 . . . . . . . . 183 LEU H . 51723 3 317 . 1 . 1 108 108 LEU CA C 13 55.093 . . . . . . . . 183 LEU CA . 51723 3 318 . 1 . 1 108 108 LEU CB C 13 42.613 . . . . . . . . 183 LEU CB . 51723 3 319 . 1 . 1 108 108 LEU N N 15 124.662 . . . . . . . . 183 LEU N . 51723 3 320 . 1 . 1 109 109 ALA H H 1 8.337 . . . . . . . . 184 ALA H . 51723 3 321 . 1 . 1 109 109 ALA N N 15 125.474 . . . . . . . . 184 ALA N . 51723 3 322 . 1 . 1 110 110 ALA CA C 13 52.603 . . . . . . . . 185 ALA CA . 51723 3 323 . 1 . 1 110 110 ALA CB C 13 19.362 . . . . . . . . 185 ALA CB . 51723 3 324 . 1 . 1 111 111 ALA H H 1 8.209 . . . . . . . . 186 ALA H . 51723 3 325 . 1 . 1 111 111 ALA CA C 13 52.585 . . . . . . . . 186 ALA CA . 51723 3 326 . 1 . 1 111 111 ALA CB C 13 19.255 . . . . . . . . 186 ALA CB . 51723 3 327 . 1 . 1 111 111 ALA N N 15 123.005 . . . . . . . . 186 ALA N . 51723 3 328 . 1 . 1 112 112 LEU H H 1 8.125 . . . . . . . . 187 LEU H . 51723 3 329 . 1 . 1 112 112 LEU CA C 13 55.268 . . . . . . . . 187 LEU CA . 51723 3 330 . 1 . 1 112 112 LEU CB C 13 42.391 . . . . . . . . 187 LEU CB . 51723 3 331 . 1 . 1 112 112 LEU N N 15 120.914 . . . . . . . . 187 LEU N . 51723 3 332 . 1 . 1 113 113 GLU H H 1 8.277 . . . . . . . . 188 GLU H . 51723 3 333 . 1 . 1 113 113 GLU N N 15 121.155 . . . . . . . . 188 GLU N . 51723 3 stop_ save_ save_assigned_chemical_shifts_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4 _Assigned_chem_shift_list.Entry_ID 51723 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Name assigned_chem_shift_list_4 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '3D HNCA' . . . 51723 4 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51723 4 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 LYS CA C 13 56.157 . . . . . . . . 78 LYS CA . 51723 4 2 . 1 . 1 3 3 LYS CB C 13 33.142 . . . . . . . . 78 LYS CB . 51723 4 3 . 1 . 1 4 4 ILE H H 1 8.207 . . . . . . . . 79 ILE H . 51723 4 4 . 1 . 1 4 4 ILE CA C 13 60.784 . . . . . . . . 79 ILE CA . 51723 4 5 . 1 . 1 4 4 ILE CB C 13 39.109 . . . . . . . . 79 ILE CB . 51723 4 6 . 1 . 1 4 4 ILE N N 15 123.177 . . . . . . . . 79 ILE N . 51723 4 7 . 1 . 1 5 5 LYS H H 1 8.369 . . . . . . . . 80 LYS H . 51723 4 8 . 1 . 1 5 5 LYS CA C 13 56.066 . . . . . . . . 80 LYS CA . 51723 4 9 . 1 . 1 5 5 LYS CB C 13 33.234 . . . . . . . . 80 LYS CB . 51723 4 10 . 1 . 1 5 5 LYS N N 15 126.665 . . . . . . . . 80 LYS N . 51723 4 11 . 1 . 1 6 6 ILE H H 1 8.195 . . . . . . . . 81 ILE H . 51723 4 12 . 1 . 1 6 6 ILE CA C 13 60.417 . . . . . . . . 81 ILE CA . 51723 4 13 . 1 . 1 6 6 ILE CB C 13 38.713 . . . . . . . . 81 ILE CB . 51723 4 14 . 1 . 1 6 6 ILE N N 15 124.631 . . . . . . . . 81 ILE N . 51723 4 15 . 1 . 1 7 7 VAL H H 1 8.621 . . . . . . . . 82 VAL H . 51723 4 16 . 1 . 1 7 7 VAL CA C 13 60.607 . . . . . . . . 82 VAL CA . 51723 4 17 . 1 . 1 7 7 VAL N N 15 123.877 . . . . . . . . 82 VAL N . 51723 4 18 . 1 . 1 8 8 ASN CA C 13 54.369 . . . . . . . . 83 ASN CA . 51723 4 19 . 1 . 1 8 8 ASN CB C 13 39.767 . . . . . . . . 83 ASN CB . 51723 4 20 . 1 . 1 9 9 GLU H H 1 7.535 . . . . . . . . 84 GLU H . 51723 4 21 . 1 . 1 9 9 GLU CA C 13 54.771 . . . . . . . . 84 GLU CA . 51723 4 22 . 1 . 1 9 9 GLU CB C 13 32.933 . . . . . . . . 84 GLU CB . 51723 4 23 . 1 . 1 9 9 GLU N N 15 116.618 . . . . . . . . 84 GLU N . 51723 4 24 . 1 . 1 10 10 LEU H H 1 9.066 . . . . . . . . 85 LEU H . 51723 4 25 . 1 . 1 10 10 LEU CA C 13 54.626 . . . . . . . . 85 LEU CA . 51723 4 26 . 1 . 1 10 10 LEU CB C 13 47.621 . . . . . . . . 85 LEU CB . 51723 4 27 . 1 . 1 10 10 LEU N N 15 124.066 . . . . . . . . 85 LEU N . 51723 4 28 . 1 . 1 11 11 ALA H H 1 8.652 . . . . . . . . 86 ALA H . 51723 4 29 . 1 . 1 11 11 ALA CA C 13 50.554 . . . . . . . . 86 ALA CA . 51723 4 30 . 1 . 1 11 11 ALA CB C 13 17.390 . . . . . . . . 86 ALA CB . 51723 4 31 . 1 . 1 11 11 ALA N N 15 129.036 . . . . . . . . 86 ALA N . 51723 4 32 . 1 . 1 12 12 VAL H H 1 8.378 . . . . . . . . 87 VAL H . 51723 4 33 . 1 . 1 12 12 VAL CA C 13 62.240 . . . . . . . . 87 VAL CA . 51723 4 34 . 1 . 1 12 12 VAL CB C 13 31.773 . . . . . . . . 87 VAL CB . 51723 4 35 . 1 . 1 12 12 VAL N N 15 118.695 . . . . . . . . 87 VAL N . 51723 4 36 . 1 . 1 13 13 GLY H H 1 6.999 . . . . . . . . 88 GLY H . 51723 4 37 . 1 . 1 13 13 GLY CA C 13 45.032 . . . . . . . . 88 GLY CA . 51723 4 38 . 1 . 1 13 13 GLY N N 15 106.026 . . . . . . . . 88 GLY N . 51723 4 39 . 1 . 1 14 14 PRO CA C 13 62.298 . . . . . . . . 89 PRO CA . 51723 4 40 . 1 . 1 14 14 PRO CB C 13 32.342 . . . . . . . . 89 PRO CB . 51723 4 41 . 1 . 1 15 15 ALA H H 1 8.492 . . . . . . . . 90 ALA H . 51723 4 42 . 1 . 1 15 15 ALA CA C 13 54.897 . . . . . . . . 90 ALA CA . 51723 4 43 . 1 . 1 15 15 ALA CB C 13 17.952 . . . . . . . . 90 ALA CB . 51723 4 44 . 1 . 1 15 15 ALA N N 15 123.464 . . . . . . . . 90 ALA N . 51723 4 45 . 1 . 1 16 16 SER H H 1 8.021 . . . . . . . . 91 SER H . 51723 4 46 . 1 . 1 16 16 SER CA C 13 59.535 . . . . . . . . 91 SER CA . 51723 4 47 . 1 . 1 16 16 SER CB C 13 62.769 . . . . . . . . 91 SER CB . 51723 4 48 . 1 . 1 16 16 SER N N 15 110.427 . . . . . . . . 91 SER N . 51723 4 49 . 1 . 1 17 17 ASP H H 1 7.958 . . . . . . . . 92 ASP H . 51723 4 50 . 1 . 1 17 17 ASP CA C 13 56.150 . . . . . . . . 92 ASP CA . 51723 4 51 . 1 . 1 17 17 ASP CB C 13 41.739 . . . . . . . . 92 ASP CB . 51723 4 52 . 1 . 1 17 17 ASP N N 15 121.496 . . . . . . . . 92 ASP N . 51723 4 53 . 1 . 1 18 18 VAL H H 1 6.979 . . . . . . . . 93 VAL H . 51723 4 54 . 1 . 1 18 18 VAL CA C 13 59.037 . . . . . . . . 93 VAL CA . 51723 4 55 . 1 . 1 18 18 VAL N N 15 114.087 . . . . . . . . 93 VAL N . 51723 4 56 . 1 . 1 19 19 PRO CA C 13 62.285 . . . . . . . . 94 PRO CA . 51723 4 57 . 1 . 1 19 19 PRO CB C 13 32.921 . . . . . . . . 94 PRO CB . 51723 4 58 . 1 . 1 20 20 ASN H H 1 8.553 . . . . . . . . 95 ASN H . 51723 4 59 . 1 . 1 20 20 ASN CA C 13 55.864 . . . . . . . . 95 ASN CA . 51723 4 60 . 1 . 1 20 20 ASN CB C 13 39.140 . . . . . . . . 95 ASN CB . 51723 4 61 . 1 . 1 20 20 ASN N N 15 117.647 . . . . . . . . 95 ASN N . 51723 4 62 . 1 . 1 21 21 GLY H H 1 9.194 . . . . . . . . 96 GLY H . 51723 4 63 . 1 . 1 21 21 GLY CA C 13 45.281 . . . . . . . . 96 GLY CA . 51723 4 64 . 1 . 1 21 21 GLY N N 15 114.833 . . . . . . . . 96 GLY N . 51723 4 65 . 1 . 1 22 22 THR H H 1 7.793 . . . . . . . . 97 THR H . 51723 4 66 . 1 . 1 22 22 THR CA C 13 60.912 . . . . . . . . 97 THR CA . 51723 4 67 . 1 . 1 22 22 THR CB C 13 73.244 . . . . . . . . 97 THR CB . 51723 4 68 . 1 . 1 22 22 THR N N 15 110.887 . . . . . . . . 97 THR N . 51723 4 69 . 1 . 1 23 23 GLY H H 1 8.389 . . . . . . . . 98 GLY H . 51723 4 70 . 1 . 1 23 23 GLY CA C 13 45.078 . . . . . . . . 98 GLY CA . 51723 4 71 . 1 . 1 23 23 GLY N N 15 104.332 . . . . . . . . 98 GLY N . 51723 4 72 . 1 . 1 24 24 LYS H H 1 8.903 . . . . . . . . 99 LYS H . 51723 4 73 . 1 . 1 24 24 LYS CA C 13 55.507 . . . . . . . . 99 LYS CA . 51723 4 74 . 1 . 1 24 24 LYS CB C 13 37.650 . . . . . . . . 99 LYS CB . 51723 4 75 . 1 . 1 24 24 LYS N N 15 125.150 . . . . . . . . 99 LYS N . 51723 4 76 . 1 . 1 25 25 ILE H H 1 7.979 . . . . . . . . 100 ILE H . 51723 4 77 . 1 . 1 25 25 ILE CA C 13 60.352 . . . . . . . . 100 ILE CA . 51723 4 78 . 1 . 1 25 25 ILE CB C 13 38.559 . . . . . . . . 100 ILE CB . 51723 4 79 . 1 . 1 25 25 ILE N N 15 124.319 . . . . . . . . 100 ILE N . 51723 4 80 . 1 . 1 26 26 TYR H H 1 9.333 . . . . . . . . 101 TYR H . 51723 4 81 . 1 . 1 26 26 TYR CA C 13 56.667 . . . . . . . . 101 TYR CA . 51723 4 82 . 1 . 1 26 26 TYR CB C 13 42.887 . . . . . . . . 101 TYR CB . 51723 4 83 . 1 . 1 26 26 TYR N N 15 125.376 . . . . . . . . 101 TYR N . 51723 4 84 . 1 . 1 27 27 GLN H H 1 8.845 . . . . . . . . 102 GLN H . 51723 4 85 . 1 . 1 27 27 GLN CA C 13 56.335 . . . . . . . . 102 GLN CA . 51723 4 86 . 1 . 1 27 27 GLN CB C 13 29.303 . . . . . . . . 102 GLN CB . 51723 4 87 . 1 . 1 27 27 GLN N N 15 122.660 . . . . . . . . 102 GLN N . 51723 4 88 . 1 . 1 28 28 PHE H H 1 8.436 . . . . . . . . 103 PHE H . 51723 4 89 . 1 . 1 28 28 PHE CA C 13 57.204 . . . . . . . . 103 PHE CA . 51723 4 90 . 1 . 1 28 28 PHE CB C 13 41.064 . . . . . . . . 103 PHE CB . 51723 4 91 . 1 . 1 28 28 PHE N N 15 126.430 . . . . . . . . 103 PHE N . 51723 4 92 . 1 . 1 29 29 ASN H H 1 8.864 . . . . . . . . 104 ASN H . 51723 4 93 . 1 . 1 29 29 ASN CA C 13 55.242 . . . . . . . . 104 ASN CA . 51723 4 94 . 1 . 1 29 29 ASN CB C 13 36.962 . . . . . . . . 104 ASN CB . 51723 4 95 . 1 . 1 29 29 ASN N N 15 124.095 . . . . . . . . 104 ASN N . 51723 4 96 . 1 . 1 30 30 ASP H H 1 8.610 . . . . . . . . 105 ASP H . 51723 4 97 . 1 . 1 30 30 ASP CA C 13 54.454 . . . . . . . . 105 ASP CA . 51723 4 98 . 1 . 1 30 30 ASP CB C 13 40.341 . . . . . . . . 105 ASP CB . 51723 4 99 . 1 . 1 30 30 ASP N N 15 122.089 . . . . . . . . 105 ASP N . 51723 4 100 . 1 . 1 31 31 ASP H H 1 8.378 . . . . . . . . 106 ASP H . 51723 4 101 . 1 . 1 31 31 ASP CA C 13 51.691 . . . . . . . . 106 ASP CA . 51723 4 102 . 1 . 1 31 31 ASP CB C 13 43.720 . . . . . . . . 106 ASP CB . 51723 4 103 . 1 . 1 31 31 ASP N N 15 122.316 . . . . . . . . 106 ASP N . 51723 4 104 . 1 . 1 32 32 LYS H H 1 8.672 . . . . . . . . 107 LYS H . 51723 4 105 . 1 . 1 32 32 LYS CA C 13 54.957 . . . . . . . . 107 LYS CA . 51723 4 106 . 1 . 1 32 32 LYS CB C 13 35.649 . . . . . . . . 107 LYS CB . 51723 4 107 . 1 . 1 32 32 LYS N N 15 120.528 . . . . . . . . 107 LYS N . 51723 4 108 . 1 . 1 33 33 VAL H H 1 9.393 . . . . . . . . 108 VAL H . 51723 4 109 . 1 . 1 33 33 VAL CA C 13 59.689 . . . . . . . . 108 VAL CA . 51723 4 110 . 1 . 1 33 33 VAL CB C 13 35.049 . . . . . . . . 108 VAL CB . 51723 4 111 . 1 . 1 33 33 VAL N N 15 120.212 . . . . . . . . 108 VAL N . 51723 4 112 . 1 . 1 34 34 ILE H H 1 9.700 . . . . . . . . 109 ILE H . 51723 4 113 . 1 . 1 34 34 ILE CA C 13 58.066 . . . . . . . . 109 ILE CA . 51723 4 114 . 1 . 1 34 34 ILE CB C 13 41.240 . . . . . . . . 109 ILE CB . 51723 4 115 . 1 . 1 34 34 ILE N N 15 124.387 . . . . . . . . 109 ILE N . 51723 4 116 . 1 . 1 35 35 VAL H H 1 8.894 . . . . . . . . 110 VAL H . 51723 4 117 . 1 . 1 35 35 VAL CA C 13 60.027 . . . . . . . . 110 VAL CA . 51723 4 118 . 1 . 1 35 35 VAL CB C 13 32.976 . . . . . . . . 110 VAL CB . 51723 4 119 . 1 . 1 35 35 VAL N N 15 131.029 . . . . . . . . 110 VAL N . 51723 4 120 . 1 . 1 36 36 VAL H H 1 8.520 . . . . . . . . 111 VAL H . 51723 4 121 . 1 . 1 36 36 VAL CA C 13 60.742 . . . . . . . . 111 VAL CA . 51723 4 122 . 1 . 1 36 36 VAL CB C 13 34.059 . . . . . . . . 111 VAL CB . 51723 4 123 . 1 . 1 36 36 VAL N N 15 125.534 . . . . . . . . 111 VAL N . 51723 4 124 . 1 . 1 37 37 ASN H H 1 7.813 . . . . . . . . 112 ASN H . 51723 4 125 . 1 . 1 37 37 ASN CA C 13 50.264 . . . . . . . . 112 ASN CA . 51723 4 126 . 1 . 1 37 37 ASN CB C 13 39.890 . . . . . . . . 112 ASN CB . 51723 4 127 . 1 . 1 37 37 ASN N N 15 123.021 . . . . . . . . 112 ASN N . 51723 4 128 . 1 . 1 38 38 HIS H H 1 8.366 . . . . . . . . 113 HIS H . 51723 4 129 . 1 . 1 38 38 HIS CA C 13 55.958 . . . . . . . . 113 HIS CA . 51723 4 130 . 1 . 1 38 38 HIS CB C 13 30.837 . . . . . . . . 113 HIS CB . 51723 4 131 . 1 . 1 38 38 HIS N N 15 121.570 . . . . . . . . 113 HIS N . 51723 4 132 . 1 . 1 39 39 GLY H H 1 8.689 . . . . . . . . 114 GLY H . 51723 4 133 . 1 . 1 39 39 GLY CA C 13 46.488 . . . . . . . . 114 GLY CA . 51723 4 134 . 1 . 1 39 39 GLY N N 15 117.326 . . . . . . . . 114 GLY N . 51723 4 135 . 1 . 1 40 40 GLY H H 1 8.870 . . . . . . . . 115 GLY H . 51723 4 136 . 1 . 1 40 40 GLY CA C 13 45.031 . . . . . . . . 115 GLY CA . 51723 4 137 . 1 . 1 40 40 GLY N N 15 107.834 . . . . . . . . 115 GLY N . 51723 4 138 . 1 . 1 41 41 SER H H 1 7.744 . . . . . . . . 116 SER H . 51723 4 139 . 1 . 1 41 41 SER CA C 13 57.148 . . . . . . . . 116 SER CA . 51723 4 140 . 1 . 1 41 41 SER CB C 13 64.953 . . . . . . . . 116 SER CB . 51723 4 141 . 1 . 1 41 41 SER N N 15 116.088 . . . . . . . . 116 SER N . 51723 4 142 . 1 . 1 42 42 LEU H H 1 8.270 . . . . . . . . 117 LEU H . 51723 4 143 . 1 . 1 42 42 LEU CA C 13 53.507 . . . . . . . . 117 LEU CA . 51723 4 144 . 1 . 1 42 42 LEU CB C 13 44.555 . . . . . . . . 117 LEU CB . 51723 4 145 . 1 . 1 42 42 LEU N N 15 127.579 . . . . . . . . 117 LEU N . 51723 4 146 . 1 . 1 43 43 THR H H 1 8.887 . . . . . . . . 118 THR H . 51723 4 147 . 1 . 1 43 43 THR CA C 13 60.008 . . . . . . . . 118 THR CA . 51723 4 148 . 1 . 1 43 43 THR CB C 13 72.720 . . . . . . . . 118 THR CB . 51723 4 149 . 1 . 1 43 43 THR N N 15 115.694 . . . . . . . . 118 THR N . 51723 4 150 . 1 . 1 44 44 ALA H H 1 8.805 . . . . . . . . 119 ALA H . 51723 4 151 . 1 . 1 44 44 ALA CA C 13 51.144 . . . . . . . . 119 ALA CA . 51723 4 152 . 1 . 1 44 44 ALA CB C 13 22.287 . . . . . . . . 119 ALA CB . 51723 4 153 . 1 . 1 44 44 ALA N N 15 121.590 . . . . . . . . 119 ALA N . 51723 4 154 . 1 . 1 45 45 VAL H H 1 8.054 . . . . . . . . 120 VAL H . 51723 4 155 . 1 . 1 45 45 VAL CA C 13 57.651 . . . . . . . . 120 VAL CA . 51723 4 156 . 1 . 1 45 45 VAL CB C 13 36.417 . . . . . . . . 120 VAL CB . 51723 4 157 . 1 . 1 45 45 VAL N N 15 113.899 . . . . . . . . 120 VAL N . 51723 4 158 . 1 . 1 46 46 SER H H 1 8.994 . . . . . . . . 121 SER H . 51723 4 159 . 1 . 1 46 46 SER CA C 13 59.236 . . . . . . . . 121 SER CA . 51723 4 160 . 1 . 1 46 46 SER CB C 13 63.953 . . . . . . . . 121 SER CB . 51723 4 161 . 1 . 1 46 46 SER N N 15 114.485 . . . . . . . . 121 SER N . 51723 4 162 . 1 . 1 47 47 ALA H H 1 9.116 . . . . . . . . 122 ALA H . 51723 4 163 . 1 . 1 47 47 ALA CA C 13 50.095 . . . . . . . . 122 ALA CA . 51723 4 164 . 1 . 1 47 47 ALA CB C 13 20.796 . . . . . . . . 122 ALA CB . 51723 4 165 . 1 . 1 47 47 ALA N N 15 123.118 . . . . . . . . 122 ALA N . 51723 4 166 . 1 . 1 48 48 ILE H H 1 7.597 . . . . . . . . 123 ILE H . 51723 4 167 . 1 . 1 48 48 ILE CA C 13 64.747 . . . . . . . . 123 ILE CA . 51723 4 168 . 1 . 1 48 48 ILE N N 15 119.342 . . . . . . . . 123 ILE N . 51723 4 169 . 1 . 1 49 49 CYS CA C 13 55.002 . . . . . . . . 124 CYS CA . 51723 4 170 . 1 . 1 49 49 CYS CB C 13 42.261 . . . . . . . . 124 CYS CB . 51723 4 171 . 1 . 1 50 50 THR H H 1 9.560 . . . . . . . . 125 THR H . 51723 4 172 . 1 . 1 50 50 THR CA C 13 61.773 . . . . . . . . 125 THR CA . 51723 4 173 . 1 . 1 50 50 THR CB C 13 71.836 . . . . . . . . 125 THR CB . 51723 4 174 . 1 . 1 50 50 THR N N 15 111.940 . . . . . . . . 125 THR N . 51723 4 175 . 1 . 1 51 51 HIS H H 1 9.249 . . . . . . . . 126 HIS H . 51723 4 176 . 1 . 1 51 51 HIS CA C 13 59.451 . . . . . . . . 126 HIS CA . 51723 4 177 . 1 . 1 51 51 HIS N N 15 119.983 . . . . . . . . 126 HIS N . 51723 4 178 . 1 . 1 54 54 CYS CA C 13 58.363 . . . . . . . . 129 CYS CA . 51723 4 179 . 1 . 1 55 55 LEU H H 1 8.294 . . . . . . . . 130 LEU H . 51723 4 180 . 1 . 1 55 55 LEU CA C 13 54.412 . . . . . . . . 130 LEU CA . 51723 4 181 . 1 . 1 55 55 LEU CB C 13 42.357 . . . . . . . . 130 LEU CB . 51723 4 182 . 1 . 1 55 55 LEU N N 15 120.120 . . . . . . . . 130 LEU N . 51723 4 183 . 1 . 1 56 56 VAL H H 1 7.910 . . . . . . . . 131 VAL H . 51723 4 184 . 1 . 1 56 56 VAL CA C 13 60.233 . . . . . . . . 131 VAL CA . 51723 4 185 . 1 . 1 56 56 VAL N N 15 116.321 . . . . . . . . 131 VAL N . 51723 4 186 . 1 . 1 57 57 HIS H H 1 8.143 . . . . . . . . 132 HIS H . 51723 4 187 . 1 . 1 57 57 HIS CA C 13 54.524 . . . . . . . . 132 HIS CA . 51723 4 188 . 1 . 1 57 57 HIS CB C 13 33.574 . . . . . . . . 132 HIS CB . 51723 4 189 . 1 . 1 57 57 HIS N N 15 111.368 . . . . . . . . 132 HIS N . 51723 4 190 . 1 . 1 58 58 TRP H H 1 8.819 . . . . . . . . 133 TRP H . 51723 4 191 . 1 . 1 58 58 TRP HE1 H 1 10.903 . . . . . . . . 133 TRP HE1 . 51723 4 192 . 1 . 1 58 58 TRP CA C 13 56.007 . . . . . . . . 133 TRP CA . 51723 4 193 . 1 . 1 58 58 TRP CB C 13 31.245 . . . . . . . . 133 TRP CB . 51723 4 194 . 1 . 1 58 58 TRP N N 15 119.912 . . . . . . . . 133 TRP N . 51723 4 195 . 1 . 1 58 58 TRP NE1 N 15 128.892 . . . . . . . . 133 TRP NE1 . 51723 4 196 . 1 . 1 59 59 ASP H H 1 8.218 . . . . . . . . 134 ASP H . 51723 4 197 . 1 . 1 59 59 ASP CA C 13 51.600 . . . . . . . . 134 ASP CA . 51723 4 198 . 1 . 1 59 59 ASP CB C 13 41.620 . . . . . . . . 134 ASP CB . 51723 4 199 . 1 . 1 59 59 ASP N N 15 130.846 . . . . . . . . 134 ASP N . 51723 4 200 . 1 . 1 60 60 GLU H H 1 8.054 . . . . . . . . 135 GLU H . 51723 4 201 . 1 . 1 60 60 GLU CA C 13 58.146 . . . . . . . . 135 GLU CA . 51723 4 202 . 1 . 1 60 60 GLU N N 15 125.185 . . . . . . . . 135 GLU N . 51723 4 203 . 1 . 1 61 61 ALA H H 1 7.974 . . . . . . . . 136 ALA H . 51723 4 204 . 1 . 1 61 61 ALA CA C 13 54.295 . . . . . . . . 136 ALA CA . 51723 4 205 . 1 . 1 61 61 ALA CB C 13 18.285 . . . . . . . . 136 ALA CB . 51723 4 206 . 1 . 1 61 61 ALA N N 15 120.198 . . . . . . . . 136 ALA N . 51723 4 207 . 1 . 1 62 62 ALA H H 1 7.242 . . . . . . . . 137 ALA H . 51723 4 208 . 1 . 1 62 62 ALA CA C 13 51.045 . . . . . . . . 137 ALA CA . 51723 4 209 . 1 . 1 62 62 ALA CB C 13 20.054 . . . . . . . . 137 ALA CB . 51723 4 210 . 1 . 1 62 62 ALA N N 15 118.316 . . . . . . . . 137 ALA N . 51723 4 211 . 1 . 1 63 63 ASP H H 1 7.747 . . . . . . . . 138 ASP H . 51723 4 212 . 1 . 1 63 63 ASP CA C 13 54.487 . . . . . . . . 138 ASP CA . 51723 4 213 . 1 . 1 63 63 ASP CB C 13 39.185 . . . . . . . . 138 ASP CB . 51723 4 214 . 1 . 1 63 63 ASP N N 15 98.471 . . . . . . . . 138 ASP N . 51723 4 215 . 1 . 1 64 64 MET H H 1 6.576 . . . . . . . . 139 MET H . 51723 4 216 . 1 . 1 64 64 MET CA C 13 55.599 . . . . . . . . 139 MET CA . 51723 4 217 . 1 . 1 64 64 MET CB C 13 35.484 . . . . . . . . 139 MET CB . 51723 4 218 . 1 . 1 64 64 MET N N 15 113.068 . . . . . . . . 139 MET N . 51723 4 219 . 1 . 1 65 65 ILE H H 1 8.904 . . . . . . . . 140 ILE H . 51723 4 220 . 1 . 1 65 65 ILE CA C 13 61.599 . . . . . . . . 140 ILE CA . 51723 4 221 . 1 . 1 65 65 ILE N N 15 121.099 . . . . . . . . 140 ILE N . 51723 4 222 . 1 . 1 66 66 ALA H H 1 8.750 . . . . . . . . 141 ALA H . 51723 4 223 . 1 . 1 66 66 ALA CA C 13 56.477 . . . . . . . . 141 ALA CA . 51723 4 224 . 1 . 1 66 66 ALA N N 15 132.230 . . . . . . . . 141 ALA N . 51723 4 225 . 1 . 1 76 76 GLN CA C 13 59.446 . . . . . . . . 151 GLN CA . 51723 4 226 . 1 . 1 76 76 GLN CB C 13 28.540 . . . . . . . . 151 GLN CB . 51723 4 227 . 1 . 1 77 77 ASP H H 1 7.835 . . . . . . . . 152 ASP H . 51723 4 228 . 1 . 1 77 77 ASP CA C 13 52.415 . . . . . . . . 152 ASP CA . 51723 4 229 . 1 . 1 77 77 ASP CB C 13 39.506 . . . . . . . . 152 ASP CB . 51723 4 230 . 1 . 1 77 77 ASP N N 15 108.737 . . . . . . . . 152 ASP N . 51723 4 231 . 1 . 1 78 78 GLY H H 1 8.419 . . . . . . . . 153 GLY H . 51723 4 232 . 1 . 1 78 78 GLY CA C 13 47.285 . . . . . . . . 153 GLY CA . 51723 4 233 . 1 . 1 78 78 GLY N N 15 108.227 . . . . . . . . 153 GLY N . 51723 4 234 . 1 . 1 79 79 LYS H H 1 7.983 . . . . . . . . 154 LYS H . 51723 4 235 . 1 . 1 79 79 LYS CA C 13 56.533 . . . . . . . . 154 LYS CA . 51723 4 236 . 1 . 1 79 79 LYS CB C 13 31.824 . . . . . . . . 154 LYS CB . 51723 4 237 . 1 . 1 79 79 LYS N N 15 118.522 . . . . . . . . 154 LYS N . 51723 4 238 . 1 . 1 80 80 ILE H H 1 8.699 . . . . . . . . 155 ILE H . 51723 4 239 . 1 . 1 80 80 ILE CA C 13 65.391 . . . . . . . . 155 ILE CA . 51723 4 240 . 1 . 1 80 80 ILE CB C 13 39.407 . . . . . . . . 155 ILE CB . 51723 4 241 . 1 . 1 80 80 ILE N N 15 120.834 . . . . . . . . 155 ILE N . 51723 4 242 . 1 . 1 81 81 ILE H H 1 8.513 . . . . . . . . 156 ILE H . 51723 4 243 . 1 . 1 81 81 ILE CA C 13 63.984 . . . . . . . . 156 ILE CA . 51723 4 244 . 1 . 1 81 81 ILE CB C 13 39.291 . . . . . . . . 156 ILE CB . 51723 4 245 . 1 . 1 81 81 ILE N N 15 128.378 . . . . . . . . 156 ILE N . 51723 4 246 . 1 . 1 82 82 SER H H 1 7.717 . . . . . . . . 157 SER H . 51723 4 247 . 1 . 1 82 82 SER CA C 13 57.486 . . . . . . . . 157 SER CA . 51723 4 248 . 1 . 1 82 82 SER CB C 13 64.356 . . . . . . . . 157 SER CB . 51723 4 249 . 1 . 1 82 82 SER N N 15 110.516 . . . . . . . . 157 SER N . 51723 4 250 . 1 . 1 83 83 GLY H H 1 8.421 . . . . . . . . 158 GLY H . 51723 4 251 . 1 . 1 83 83 GLY N N 15 108.035 . . . . . . . . 158 GLY N . 51723 4 252 . 1 . 1 87 87 LEU H H 1 6.848 . . . . . . . . 162 LEU H . 51723 4 253 . 1 . 1 87 87 LEU N N 15 118.679 . . . . . . . . 162 LEU N . 51723 4 254 . 1 . 1 88 88 PRO CA C 13 62.498 . . . . . . . . 163 PRO CA . 51723 4 255 . 1 . 1 88 88 PRO CB C 13 33.923 . . . . . . . . 163 PRO CB . 51723 4 256 . 1 . 1 89 89 LEU H H 1 8.897 . . . . . . . . 164 LEU H . 51723 4 257 . 1 . 1 89 89 LEU CA C 13 54.527 . . . . . . . . 164 LEU CA . 51723 4 258 . 1 . 1 89 89 LEU CB C 13 40.930 . . . . . . . . 164 LEU CB . 51723 4 259 . 1 . 1 89 89 LEU N N 15 120.658 . . . . . . . . 164 LEU N . 51723 4 260 . 1 . 1 90 90 LYS H H 1 8.578 . . . . . . . . 165 LYS H . 51723 4 261 . 1 . 1 90 90 LYS CA C 13 57.293 . . . . . . . . 165 LYS CA . 51723 4 262 . 1 . 1 90 90 LYS CB C 13 33.581 . . . . . . . . 165 LYS CB . 51723 4 263 . 1 . 1 90 90 LYS N N 15 124.402 . . . . . . . . 165 LYS N . 51723 4 264 . 1 . 1 91 91 GLN H H 1 8.338 . . . . . . . . 166 GLN H . 51723 4 265 . 1 . 1 91 91 GLN CA C 13 56.483 . . . . . . . . 166 GLN CA . 51723 4 266 . 1 . 1 91 91 GLN CB C 13 30.446 . . . . . . . . 166 GLN CB . 51723 4 267 . 1 . 1 91 91 GLN N N 15 122.735 . . . . . . . . 166 GLN N . 51723 4 268 . 1 . 1 92 92 TYR H H 1 8.678 . . . . . . . . 167 TYR H . 51723 4 269 . 1 . 1 92 92 TYR CA C 13 57.481 . . . . . . . . 167 TYR CA . 51723 4 270 . 1 . 1 92 92 TYR CB C 13 40.767 . . . . . . . . 167 TYR CB . 51723 4 271 . 1 . 1 92 92 TYR N N 15 123.311 . . . . . . . . 167 TYR N . 51723 4 272 . 1 . 1 93 93 LYS H H 1 8.715 . . . . . . . . 168 LYS H . 51723 4 273 . 1 . 1 93 93 LYS CA C 13 55.258 . . . . . . . . 168 LYS CA . 51723 4 274 . 1 . 1 93 93 LYS CB C 13 33.460 . . . . . . . . 168 LYS CB . 51723 4 275 . 1 . 1 93 93 LYS N N 15 121.377 . . . . . . . . 168 LYS N . 51723 4 276 . 1 . 1 94 94 VAL H H 1 8.380 . . . . . . . . 169 VAL H . 51723 4 277 . 1 . 1 94 94 VAL CA C 13 59.231 . . . . . . . . 169 VAL CA . 51723 4 278 . 1 . 1 94 94 VAL CB C 13 34.028 . . . . . . . . 169 VAL CB . 51723 4 279 . 1 . 1 94 94 VAL N N 15 119.468 . . . . . . . . 169 VAL N . 51723 4 280 . 1 . 1 95 95 LYS H H 1 8.410 . . . . . . . . 170 LYS H . 51723 4 281 . 1 . 1 95 95 LYS CA C 13 54.275 . . . . . . . . 170 LYS CA . 51723 4 282 . 1 . 1 95 95 LYS CB C 13 35.754 . . . . . . . . 170 LYS CB . 51723 4 283 . 1 . 1 95 95 LYS N N 15 124.462 . . . . . . . . 170 LYS N . 51723 4 284 . 1 . 1 96 96 ILE H H 1 8.381 . . . . . . . . 171 ILE H . 51723 4 285 . 1 . 1 96 96 ILE CA C 13 59.193 . . . . . . . . 171 ILE CA . 51723 4 286 . 1 . 1 96 96 ILE CB C 13 37.625 . . . . . . . . 171 ILE CB . 51723 4 287 . 1 . 1 96 96 ILE N N 15 119.840 . . . . . . . . 171 ILE N . 51723 4 288 . 1 . 1 97 97 GLU H H 1 9.076 . . . . . . . . 172 GLU H . 51723 4 289 . 1 . 1 97 97 GLU CA C 13 55.363 . . . . . . . . 172 GLU CA . 51723 4 290 . 1 . 1 97 97 GLU N N 15 128.523 . . . . . . . . 172 GLU N . 51723 4 291 . 1 . 1 98 98 ASP CA C 13 55.238 . . . . . . . . 173 ASP CA . 51723 4 292 . 1 . 1 98 98 ASP CB C 13 40.018 . . . . . . . . 173 ASP CB . 51723 4 293 . 1 . 1 99 99 GLY H H 1 8.433 . . . . . . . . 174 GLY H . 51723 4 294 . 1 . 1 99 99 GLY CA C 13 45.709 . . . . . . . . 174 GLY CA . 51723 4 295 . 1 . 1 99 99 GLY N N 15 101.638 . . . . . . . . 174 GLY N . 51723 4 296 . 1 . 1 100 100 LYS H H 1 8.002 . . . . . . . . 175 LYS H . 51723 4 297 . 1 . 1 100 100 LYS CA C 13 54.474 . . . . . . . . 175 LYS CA . 51723 4 298 . 1 . 1 100 100 LYS CB C 13 34.816 . . . . . . . . 175 LYS CB . 51723 4 299 . 1 . 1 100 100 LYS N N 15 121.354 . . . . . . . . 175 LYS N . 51723 4 300 . 1 . 1 101 101 ILE H H 1 8.774 . . . . . . . . 176 ILE H . 51723 4 301 . 1 . 1 101 101 ILE CA C 13 61.639 . . . . . . . . 176 ILE CA . 51723 4 302 . 1 . 1 101 101 ILE CB C 13 37.646 . . . . . . . . 176 ILE CB . 51723 4 303 . 1 . 1 101 101 ILE N N 15 121.091 . . . . . . . . 176 ILE N . 51723 4 304 . 1 . 1 102 102 VAL H H 1 9.057 . . . . . . . . 177 VAL H . 51723 4 305 . 1 . 1 102 102 VAL CA C 13 61.512 . . . . . . . . 177 VAL CA . 51723 4 306 . 1 . 1 102 102 VAL CB C 13 32.969 . . . . . . . . 177 VAL CB . 51723 4 307 . 1 . 1 102 102 VAL N N 15 129.146 . . . . . . . . 177 VAL N . 51723 4 308 . 1 . 1 103 103 VAL H H 1 8.542 . . . . . . . . 178 VAL H . 51723 4 309 . 1 . 1 103 103 VAL CA C 13 60.230 . . . . . . . . 178 VAL CA . 51723 4 310 . 1 . 1 103 103 VAL CB C 13 33.434 . . . . . . . . 178 VAL CB . 51723 4 311 . 1 . 1 103 103 VAL N N 15 130.100 . . . . . . . . 178 VAL N . 51723 4 312 . 1 . 1 104 104 SER H H 1 9.067 . . . . . . . . 179 SER H . 51723 4 313 . 1 . 1 104 104 SER CA C 13 56.808 . . . . . . . . 179 SER CA . 51723 4 314 . 1 . 1 104 104 SER CB C 13 66.620 . . . . . . . . 179 SER CB . 51723 4 315 . 1 . 1 104 104 SER N N 15 117.910 . . . . . . . . 179 SER N . 51723 4 316 . 1 . 1 105 105 ILE H H 1 8.183 . . . . . . . . 180 ILE H . 51723 4 317 . 1 . 1 105 105 ILE CA C 13 61.758 . . . . . . . . 180 ILE CA . 51723 4 318 . 1 . 1 105 105 ILE CB C 13 39.317 . . . . . . . . 180 ILE CB . 51723 4 319 . 1 . 1 105 105 ILE N N 15 119.150 . . . . . . . . 180 ILE N . 51723 4 320 . 1 . 1 106 106 ALA H H 1 8.611 . . . . . . . . 181 ALA H . 51723 4 321 . 1 . 1 106 106 ALA CA C 13 52.157 . . . . . . . . 181 ALA CA . 51723 4 322 . 1 . 1 106 106 ALA N N 15 128.961 . . . . . . . . 181 ALA N . 51723 4 323 . 1 . 1 107 107 LYS CA C 13 56.055 . . . . . . . . 182 LYS CA . 51723 4 324 . 1 . 1 107 107 LYS CB C 13 33.371 . . . . . . . . 182 LYS CB . 51723 4 325 . 1 . 1 108 108 LEU H H 1 8.329 . . . . . . . . 183 LEU H . 51723 4 326 . 1 . 1 108 108 LEU CA C 13 55.017 . . . . . . . . 183 LEU CA . 51723 4 327 . 1 . 1 108 108 LEU CB C 13 42.613 . . . . . . . . 183 LEU CB . 51723 4 328 . 1 . 1 108 108 LEU N N 15 124.772 . . . . . . . . 183 LEU N . 51723 4 329 . 1 . 1 109 109 ALA H H 1 8.335 . . . . . . . . 184 ALA H . 51723 4 330 . 1 . 1 109 109 ALA CA C 13 52.522 . . . . . . . . 184 ALA CA . 51723 4 331 . 1 . 1 109 109 ALA N N 15 125.516 . . . . . . . . 184 ALA N . 51723 4 332 . 1 . 1 110 110 ALA CA C 13 52.603 . . . . . . . . 185 ALA CA . 51723 4 333 . 1 . 1 110 110 ALA CB C 13 19.362 . . . . . . . . 185 ALA CB . 51723 4 334 . 1 . 1 111 111 ALA H H 1 8.209 . . . . . . . . 186 ALA H . 51723 4 335 . 1 . 1 111 111 ALA CA C 13 52.531 . . . . . . . . 186 ALA CA . 51723 4 336 . 1 . 1 111 111 ALA CB C 13 19.255 . . . . . . . . 186 ALA CB . 51723 4 337 . 1 . 1 111 111 ALA N N 15 123.022 . . . . . . . . 186 ALA N . 51723 4 338 . 1 . 1 112 112 LEU H H 1 8.125 . . . . . . . . 187 LEU H . 51723 4 339 . 1 . 1 112 112 LEU CA C 13 55.188 . . . . . . . . 187 LEU CA . 51723 4 340 . 1 . 1 112 112 LEU CB C 13 42.391 . . . . . . . . 187 LEU CB . 51723 4 341 . 1 . 1 112 112 LEU N N 15 120.959 . . . . . . . . 187 LEU N . 51723 4 342 . 1 . 1 113 113 GLU H H 1 8.276 . . . . . . . . 188 GLU H . 51723 4 343 . 1 . 1 113 113 GLU CA C 13 56.654 . . . . . . . . 188 GLU CA . 51723 4 344 . 1 . 1 113 113 GLU N N 15 121.247 . . . . . . . . 188 GLU N . 51723 4 stop_ save_ save_assigned_chemical_shifts_5 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_5 _Assigned_chem_shift_list.Entry_ID 51723 _Assigned_chem_shift_list.ID 5 _Assigned_chem_shift_list.Name assigned_chem_shift_list_5 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 5 '3D HN(CO)CA' . . . 51723 5 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51723 5 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 LYS CA C 13 56.151 . . . . . . . . 78 LYS CA . 51723 5 2 . 1 . 1 3 3 LYS CB C 13 33.083 . . . . . . . . 78 LYS CB . 51723 5 3 . 1 . 1 4 4 ILE H H 1 8.208 . . . . . . . . 79 ILE H . 51723 5 4 . 1 . 1 4 4 ILE C C 13 175.644 . . . . . . . . 79 ILE CO . 51723 5 5 . 1 . 1 4 4 ILE CA C 13 60.777 . . . . . . . . 79 ILE CA . 51723 5 6 . 1 . 1 4 4 ILE CB C 13 39.069 . . . . . . . . 79 ILE CB . 51723 5 7 . 1 . 1 4 4 ILE N N 15 123.249 . . . . . . . . 79 ILE N . 51723 5 8 . 1 . 1 5 5 LYS H H 1 8.369 . . . . . . . . 80 LYS H . 51723 5 9 . 1 . 1 5 5 LYS C C 13 175.570 . . . . . . . . 80 LYS CO . 51723 5 10 . 1 . 1 5 5 LYS CA C 13 56.049 . . . . . . . . 80 LYS CA . 51723 5 11 . 1 . 1 5 5 LYS CB C 13 33.184 . . . . . . . . 80 LYS CB . 51723 5 12 . 1 . 1 5 5 LYS N N 15 126.567 . . . . . . . . 80 LYS N . 51723 5 13 . 1 . 1 6 6 ILE H H 1 8.193 . . . . . . . . 81 ILE H . 51723 5 14 . 1 . 1 6 6 ILE C C 13 176.115 . . . . . . . . 81 ILE CO . 51723 5 15 . 1 . 1 6 6 ILE CA C 13 60.410 . . . . . . . . 81 ILE CA . 51723 5 16 . 1 . 1 6 6 ILE CB C 13 38.674 . . . . . . . . 81 ILE CB . 51723 5 17 . 1 . 1 6 6 ILE N N 15 124.581 . . . . . . . . 81 ILE N . 51723 5 18 . 1 . 1 7 7 VAL H H 1 8.621 . . . . . . . . 82 VAL H . 51723 5 19 . 1 . 1 7 7 VAL C C 13 175.402 . . . . . . . . 82 VAL CO . 51723 5 20 . 1 . 1 7 7 VAL CA C 13 60.516 . . . . . . . . 82 VAL CA . 51723 5 21 . 1 . 1 7 7 VAL CB C 13 33.603 . . . . . . . . 82 VAL CB . 51723 5 22 . 1 . 1 7 7 VAL N N 15 123.785 . . . . . . . . 82 VAL N . 51723 5 23 . 1 . 1 8 8 ASN C C 13 174.392 . . . . . . . . 83 ASN CO . 51723 5 24 . 1 . 1 8 8 ASN CA C 13 54.355 . . . . . . . . 83 ASN CA . 51723 5 25 . 1 . 1 8 8 ASN CB C 13 39.749 . . . . . . . . 83 ASN CB . 51723 5 26 . 1 . 1 9 9 GLU H H 1 7.536 . . . . . . . . 84 GLU H . 51723 5 27 . 1 . 1 9 9 GLU C C 13 173.944 . . . . . . . . 84 GLU CO . 51723 5 28 . 1 . 1 9 9 GLU CA C 13 54.885 . . . . . . . . 84 GLU CA . 51723 5 29 . 1 . 1 9 9 GLU CB C 13 32.911 . . . . . . . . 84 GLU CB . 51723 5 30 . 1 . 1 9 9 GLU N N 15 116.592 . . . . . . . . 84 GLU N . 51723 5 31 . 1 . 1 10 10 LEU H H 1 9.065 . . . . . . . . 85 LEU H . 51723 5 32 . 1 . 1 10 10 LEU C C 13 174.306 . . . . . . . . 85 LEU CO . 51723 5 33 . 1 . 1 10 10 LEU CA C 13 54.618 . . . . . . . . 85 LEU CA . 51723 5 34 . 1 . 1 10 10 LEU CB C 13 47.586 . . . . . . . . 85 LEU CB . 51723 5 35 . 1 . 1 10 10 LEU N N 15 123.983 . . . . . . . . 85 LEU N . 51723 5 36 . 1 . 1 11 11 ALA H H 1 8.653 . . . . . . . . 86 ALA H . 51723 5 37 . 1 . 1 11 11 ALA C C 13 177.704 . . . . . . . . 86 ALA CO . 51723 5 38 . 1 . 1 11 11 ALA CA C 13 50.583 . . . . . . . . 86 ALA CA . 51723 5 39 . 1 . 1 11 11 ALA CB C 13 17.395 . . . . . . . . 86 ALA CB . 51723 5 40 . 1 . 1 11 11 ALA N N 15 128.985 . . . . . . . . 86 ALA N . 51723 5 41 . 1 . 1 12 12 VAL H H 1 8.377 . . . . . . . . 87 VAL H . 51723 5 42 . 1 . 1 12 12 VAL C C 13 175.536 . . . . . . . . 87 VAL CO . 51723 5 43 . 1 . 1 12 12 VAL CA C 13 62.244 . . . . . . . . 87 VAL CA . 51723 5 44 . 1 . 1 12 12 VAL CB C 13 31.762 . . . . . . . . 87 VAL CB . 51723 5 45 . 1 . 1 12 12 VAL N N 15 118.680 . . . . . . . . 87 VAL N . 51723 5 46 . 1 . 1 13 13 GLY H H 1 6.999 . . . . . . . . 88 GLY H . 51723 5 47 . 1 . 1 13 13 GLY C C 13 168.957 . . . . . . . . 88 GLY CO . 51723 5 48 . 1 . 1 13 13 GLY CA C 13 45.032 . . . . . . . . 88 GLY CA . 51723 5 49 . 1 . 1 13 13 GLY N N 15 105.993 . . . . . . . . 88 GLY N . 51723 5 50 . 1 . 1 14 14 PRO C C 13 177.192 . . . . . . . . 89 PRO CO . 51723 5 51 . 1 . 1 14 14 PRO CA C 13 62.291 . . . . . . . . 89 PRO CA . 51723 5 52 . 1 . 1 14 14 PRO CB C 13 32.312 . . . . . . . . 89 PRO CB . 51723 5 53 . 1 . 1 15 15 ALA H H 1 8.492 . . . . . . . . 90 ALA H . 51723 5 54 . 1 . 1 15 15 ALA C C 13 179.072 . . . . . . . . 90 ALA CO . 51723 5 55 . 1 . 1 15 15 ALA CA C 13 54.921 . . . . . . . . 90 ALA CA . 51723 5 56 . 1 . 1 15 15 ALA CB C 13 17.922 . . . . . . . . 90 ALA CB . 51723 5 57 . 1 . 1 15 15 ALA N N 15 123.465 . . . . . . . . 90 ALA N . 51723 5 58 . 1 . 1 16 16 SER H H 1 8.020 . . . . . . . . 91 SER H . 51723 5 59 . 1 . 1 16 16 SER C C 13 175.102 . . . . . . . . 91 SER CO . 51723 5 60 . 1 . 1 16 16 SER CA C 13 59.515 . . . . . . . . 91 SER CA . 51723 5 61 . 1 . 1 16 16 SER CB C 13 62.528 . . . . . . . . 91 SER CB . 51723 5 62 . 1 . 1 16 16 SER N N 15 110.333 . . . . . . . . 91 SER N . 51723 5 63 . 1 . 1 17 17 ASP H H 1 7.958 . . . . . . . . 92 ASP H . 51723 5 64 . 1 . 1 17 17 ASP C C 13 176.699 . . . . . . . . 92 ASP CO . 51723 5 65 . 1 . 1 17 17 ASP CA C 13 56.140 . . . . . . . . 92 ASP CA . 51723 5 66 . 1 . 1 17 17 ASP CB C 13 41.725 . . . . . . . . 92 ASP CB . 51723 5 67 . 1 . 1 17 17 ASP N N 15 121.450 . . . . . . . . 92 ASP N . 51723 5 68 . 1 . 1 18 18 VAL H H 1 6.979 . . . . . . . . 93 VAL H . 51723 5 69 . 1 . 1 18 18 VAL C C 13 172.057 . . . . . . . . 93 VAL CO . 51723 5 70 . 1 . 1 18 18 VAL CA C 13 58.912 . . . . . . . . 93 VAL CA . 51723 5 71 . 1 . 1 18 18 VAL CB C 13 31.745 . . . . . . . . 93 VAL CB . 51723 5 72 . 1 . 1 18 18 VAL N N 15 114.012 . . . . . . . . 93 VAL N . 51723 5 73 . 1 . 1 19 19 PRO C C 13 176.090 . . . . . . . . 94 PRO CO . 51723 5 74 . 1 . 1 19 19 PRO CA C 13 62.280 . . . . . . . . 94 PRO CA . 51723 5 75 . 1 . 1 19 19 PRO CB C 13 32.919 . . . . . . . . 94 PRO CB . 51723 5 76 . 1 . 1 20 20 ASN H H 1 8.552 . . . . . . . . 95 ASN H . 51723 5 77 . 1 . 1 20 20 ASN C C 13 175.897 . . . . . . . . 95 ASN CO . 51723 5 78 . 1 . 1 20 20 ASN CA C 13 55.857 . . . . . . . . 95 ASN CA . 51723 5 79 . 1 . 1 20 20 ASN CB C 13 39.090 . . . . . . . . 95 ASN CB . 51723 5 80 . 1 . 1 20 20 ASN N N 15 117.579 . . . . . . . . 95 ASN N . 51723 5 81 . 1 . 1 21 21 GLY H H 1 9.193 . . . . . . . . 96 GLY H . 51723 5 82 . 1 . 1 21 21 GLY C C 13 174.117 . . . . . . . . 96 GLY CO . 51723 5 83 . 1 . 1 21 21 GLY CA C 13 45.288 . . . . . . . . 96 GLY CA . 51723 5 84 . 1 . 1 21 21 GLY N N 15 114.785 . . . . . . . . 96 GLY N . 51723 5 85 . 1 . 1 22 22 THR H H 1 7.793 . . . . . . . . 97 THR H . 51723 5 86 . 1 . 1 22 22 THR C C 13 171.202 . . . . . . . . 97 THR CO . 51723 5 87 . 1 . 1 22 22 THR CA C 13 60.906 . . . . . . . . 97 THR CA . 51723 5 88 . 1 . 1 22 22 THR CB C 13 73.077 . . . . . . . . 97 THR CB . 51723 5 89 . 1 . 1 22 22 THR N N 15 110.876 . . . . . . . . 97 THR N . 51723 5 90 . 1 . 1 23 23 GLY H H 1 8.389 . . . . . . . . 98 GLY H . 51723 5 91 . 1 . 1 23 23 GLY C C 13 173.200 . . . . . . . . 98 GLY CO . 51723 5 92 . 1 . 1 23 23 GLY CA C 13 45.082 . . . . . . . . 98 GLY CA . 51723 5 93 . 1 . 1 23 23 GLY N N 15 104.363 . . . . . . . . 98 GLY N . 51723 5 94 . 1 . 1 24 24 LYS H H 1 8.903 . . . . . . . . 99 LYS H . 51723 5 95 . 1 . 1 24 24 LYS C C 13 173.324 . . . . . . . . 99 LYS CO . 51723 5 96 . 1 . 1 24 24 LYS CA C 13 55.509 . . . . . . . . 99 LYS CA . 51723 5 97 . 1 . 1 24 24 LYS CB C 13 37.650 . . . . . . . . 99 LYS CB . 51723 5 98 . 1 . 1 24 24 LYS N N 15 125.083 . . . . . . . . 99 LYS N . 51723 5 99 . 1 . 1 25 25 ILE H H 1 7.980 . . . . . . . . 100 ILE H . 51723 5 100 . 1 . 1 25 25 ILE C C 13 175.653 . . . . . . . . 100 ILE CO . 51723 5 101 . 1 . 1 25 25 ILE CA C 13 60.351 . . . . . . . . 100 ILE CA . 51723 5 102 . 1 . 1 25 25 ILE CB C 13 38.544 . . . . . . . . 100 ILE CB . 51723 5 103 . 1 . 1 25 25 ILE N N 15 124.304 . . . . . . . . 100 ILE N . 51723 5 104 . 1 . 1 26 26 TYR H H 1 9.333 . . . . . . . . 101 TYR H . 51723 5 105 . 1 . 1 26 26 TYR C C 13 174.770 . . . . . . . . 101 TYR CO . 51723 5 106 . 1 . 1 26 26 TYR CA C 13 56.676 . . . . . . . . 101 TYR CA . 51723 5 107 . 1 . 1 26 26 TYR CB C 13 42.798 . . . . . . . . 101 TYR CB . 51723 5 108 . 1 . 1 26 26 TYR N N 15 125.273 . . . . . . . . 101 TYR N . 51723 5 109 . 1 . 1 27 27 GLN H H 1 8.845 . . . . . . . . 102 GLN H . 51723 5 110 . 1 . 1 27 27 GLN C C 13 174.994 . . . . . . . . 102 GLN CO . 51723 5 111 . 1 . 1 27 27 GLN CA C 13 56.310 . . . . . . . . 102 GLN CA . 51723 5 112 . 1 . 1 27 27 GLN CB C 13 29.261 . . . . . . . . 102 GLN CB . 51723 5 113 . 1 . 1 27 27 GLN N N 15 122.563 . . . . . . . . 102 GLN N . 51723 5 114 . 1 . 1 28 28 PHE H H 1 8.437 . . . . . . . . 103 PHE H . 51723 5 115 . 1 . 1 28 28 PHE C C 13 173.872 . . . . . . . . 103 PHE CO . 51723 5 116 . 1 . 1 28 28 PHE CA C 13 57.217 . . . . . . . . 103 PHE CA . 51723 5 117 . 1 . 1 28 28 PHE CB C 13 40.980 . . . . . . . . 103 PHE CB . 51723 5 118 . 1 . 1 28 28 PHE N N 15 126.371 . . . . . . . . 103 PHE N . 51723 5 119 . 1 . 1 29 29 ASN H H 1 8.863 . . . . . . . . 104 ASN H . 51723 5 120 . 1 . 1 29 29 ASN C C 13 174.761 . . . . . . . . 104 ASN CO . 51723 5 121 . 1 . 1 29 29 ASN CA C 13 55.255 . . . . . . . . 104 ASN CA . 51723 5 122 . 1 . 1 29 29 ASN CB C 13 36.889 . . . . . . . . 104 ASN CB . 51723 5 123 . 1 . 1 29 29 ASN N N 15 123.948 . . . . . . . . 104 ASN N . 51723 5 124 . 1 . 1 30 30 ASP H H 1 8.606 . . . . . . . . 105 ASP H . 51723 5 125 . 1 . 1 30 30 ASP C C 13 174.483 . . . . . . . . 105 ASP CO . 51723 5 126 . 1 . 1 30 30 ASP CA C 13 54.450 . . . . . . . . 105 ASP CA . 51723 5 127 . 1 . 1 30 30 ASP CB C 13 40.389 . . . . . . . . 105 ASP CB . 51723 5 128 . 1 . 1 30 30 ASP N N 15 122.041 . . . . . . . . 105 ASP N . 51723 5 129 . 1 . 1 31 31 ASP H H 1 8.379 . . . . . . . . 106 ASP H . 51723 5 130 . 1 . 1 31 31 ASP C C 13 175.344 . . . . . . . . 106 ASP CO . 51723 5 131 . 1 . 1 31 31 ASP CA C 13 51.686 . . . . . . . . 106 ASP CA . 51723 5 132 . 1 . 1 31 31 ASP CB C 13 43.659 . . . . . . . . 106 ASP CB . 51723 5 133 . 1 . 1 31 31 ASP N N 15 122.253 . . . . . . . . 106 ASP N . 51723 5 134 . 1 . 1 32 32 LYS H H 1 8.673 . . . . . . . . 107 LYS H . 51723 5 135 . 1 . 1 32 32 LYS C C 13 175.005 . . . . . . . . 107 LYS CO . 51723 5 136 . 1 . 1 32 32 LYS CA C 13 54.940 . . . . . . . . 107 LYS CA . 51723 5 137 . 1 . 1 32 32 LYS CB C 13 35.587 . . . . . . . . 107 LYS CB . 51723 5 138 . 1 . 1 32 32 LYS N N 15 120.482 . . . . . . . . 107 LYS N . 51723 5 139 . 1 . 1 33 33 VAL H H 1 9.393 . . . . . . . . 108 VAL H . 51723 5 140 . 1 . 1 33 33 VAL C C 13 174.004 . . . . . . . . 108 VAL CO . 51723 5 141 . 1 . 1 33 33 VAL CA C 13 59.670 . . . . . . . . 108 VAL CA . 51723 5 142 . 1 . 1 33 33 VAL CB C 13 35.007 . . . . . . . . 108 VAL CB . 51723 5 143 . 1 . 1 33 33 VAL N N 15 120.165 . . . . . . . . 108 VAL N . 51723 5 144 . 1 . 1 34 34 ILE H H 1 9.699 . . . . . . . . 109 ILE H . 51723 5 145 . 1 . 1 34 34 ILE C C 13 173.572 . . . . . . . . 109 ILE CO . 51723 5 146 . 1 . 1 34 34 ILE CA C 13 58.071 . . . . . . . . 109 ILE CA . 51723 5 147 . 1 . 1 34 34 ILE CB C 13 41.213 . . . . . . . . 109 ILE CB . 51723 5 148 . 1 . 1 34 34 ILE N N 15 124.411 . . . . . . . . 109 ILE N . 51723 5 149 . 1 . 1 35 35 VAL H H 1 8.893 . . . . . . . . 110 VAL H . 51723 5 150 . 1 . 1 35 35 VAL C C 13 174.938 . . . . . . . . 110 VAL CO . 51723 5 151 . 1 . 1 35 35 VAL CA C 13 60.025 . . . . . . . . 110 VAL CA . 51723 5 152 . 1 . 1 35 35 VAL CB C 13 33.049 . . . . . . . . 110 VAL CB . 51723 5 153 . 1 . 1 35 35 VAL N N 15 131.018 . . . . . . . . 110 VAL N . 51723 5 154 . 1 . 1 36 36 VAL H H 1 8.519 . . . . . . . . 111 VAL H . 51723 5 155 . 1 . 1 36 36 VAL C C 13 173.740 . . . . . . . . 111 VAL CO . 51723 5 156 . 1 . 1 36 36 VAL CA C 13 60.730 . . . . . . . . 111 VAL CA . 51723 5 157 . 1 . 1 36 36 VAL CB C 13 34.079 . . . . . . . . 111 VAL CB . 51723 5 158 . 1 . 1 36 36 VAL N N 15 125.462 . . . . . . . . 111 VAL N . 51723 5 159 . 1 . 1 37 37 ASN H H 1 7.814 . . . . . . . . 112 ASN H . 51723 5 160 . 1 . 1 37 37 ASN C C 13 174.396 . . . . . . . . 112 ASN CO . 51723 5 161 . 1 . 1 37 37 ASN CA C 13 50.266 . . . . . . . . 112 ASN CA . 51723 5 162 . 1 . 1 37 37 ASN CB C 13 39.807 . . . . . . . . 112 ASN CB . 51723 5 163 . 1 . 1 37 37 ASN N N 15 122.980 . . . . . . . . 112 ASN N . 51723 5 164 . 1 . 1 38 38 HIS H H 1 8.366 . . . . . . . . 113 HIS H . 51723 5 165 . 1 . 1 38 38 HIS C C 13 175.871 . . . . . . . . 113 HIS CO . 51723 5 166 . 1 . 1 38 38 HIS CA C 13 55.955 . . . . . . . . 113 HIS CA . 51723 5 167 . 1 . 1 38 38 HIS CB C 13 30.947 . . . . . . . . 113 HIS CB . 51723 5 168 . 1 . 1 38 38 HIS N N 15 121.573 . . . . . . . . 113 HIS N . 51723 5 169 . 1 . 1 39 39 GLY H H 1 8.687 . . . . . . . . 114 GLY H . 51723 5 170 . 1 . 1 39 39 GLY C C 13 175.131 . . . . . . . . 114 GLY CO . 51723 5 171 . 1 . 1 39 39 GLY CA C 13 46.498 . . . . . . . . 114 GLY CA . 51723 5 172 . 1 . 1 39 39 GLY N N 15 117.369 . . . . . . . . 114 GLY N . 51723 5 173 . 1 . 1 40 40 GLY H H 1 8.871 . . . . . . . . 115 GLY H . 51723 5 174 . 1 . 1 40 40 GLY C C 13 173.958 . . . . . . . . 115 GLY CO . 51723 5 175 . 1 . 1 40 40 GLY CA C 13 45.030 . . . . . . . . 115 GLY CA . 51723 5 176 . 1 . 1 40 40 GLY N N 15 107.728 . . . . . . . . 115 GLY N . 51723 5 177 . 1 . 1 41 41 SER H H 1 7.745 . . . . . . . . 116 SER H . 51723 5 178 . 1 . 1 41 41 SER C C 13 171.875 . . . . . . . . 116 SER CO . 51723 5 179 . 1 . 1 41 41 SER CA C 13 57.147 . . . . . . . . 116 SER CA . 51723 5 180 . 1 . 1 41 41 SER CB C 13 64.803 . . . . . . . . 116 SER CB . 51723 5 181 . 1 . 1 41 41 SER N N 15 116.036 . . . . . . . . 116 SER N . 51723 5 182 . 1 . 1 42 42 LEU H H 1 8.269 . . . . . . . . 117 LEU H . 51723 5 183 . 1 . 1 42 42 LEU C C 13 176.789 . . . . . . . . 117 LEU CO . 51723 5 184 . 1 . 1 42 42 LEU CA C 13 53.506 . . . . . . . . 117 LEU CA . 51723 5 185 . 1 . 1 42 42 LEU CB C 13 44.479 . . . . . . . . 117 LEU CB . 51723 5 186 . 1 . 1 42 42 LEU N N 15 127.569 . . . . . . . . 117 LEU N . 51723 5 187 . 1 . 1 43 43 THR H H 1 8.886 . . . . . . . . 118 THR H . 51723 5 188 . 1 . 1 43 43 THR C C 13 172.767 . . . . . . . . 118 THR CO . 51723 5 189 . 1 . 1 43 43 THR CA C 13 60.007 . . . . . . . . 118 THR CA . 51723 5 190 . 1 . 1 43 43 THR CB C 13 72.483 . . . . . . . . 118 THR CB . 51723 5 191 . 1 . 1 43 43 THR N N 15 115.662 . . . . . . . . 118 THR N . 51723 5 192 . 1 . 1 44 44 ALA H H 1 8.804 . . . . . . . . 119 ALA H . 51723 5 193 . 1 . 1 44 44 ALA C C 13 175.317 . . . . . . . . 119 ALA CO . 51723 5 194 . 1 . 1 44 44 ALA CA C 13 51.143 . . . . . . . . 119 ALA CA . 51723 5 195 . 1 . 1 44 44 ALA CB C 13 22.255 . . . . . . . . 119 ALA CB . 51723 5 196 . 1 . 1 44 44 ALA N N 15 121.557 . . . . . . . . 119 ALA N . 51723 5 197 . 1 . 1 45 45 VAL H H 1 8.054 . . . . . . . . 120 VAL H . 51723 5 198 . 1 . 1 45 45 VAL C C 13 175.065 . . . . . . . . 120 VAL CO . 51723 5 199 . 1 . 1 45 45 VAL CA C 13 57.643 . . . . . . . . 120 VAL CA . 51723 5 200 . 1 . 1 45 45 VAL CB C 13 36.422 . . . . . . . . 120 VAL CB . 51723 5 201 . 1 . 1 45 45 VAL N N 15 113.851 . . . . . . . . 120 VAL N . 51723 5 202 . 1 . 1 46 46 SER H H 1 8.994 . . . . . . . . 121 SER H . 51723 5 203 . 1 . 1 46 46 SER C C 13 172.628 . . . . . . . . 121 SER CO . 51723 5 204 . 1 . 1 46 46 SER CA C 13 59.225 . . . . . . . . 121 SER CA . 51723 5 205 . 1 . 1 46 46 SER CB C 13 63.745 . . . . . . . . 121 SER CB . 51723 5 206 . 1 . 1 46 46 SER N N 15 114.436 . . . . . . . . 121 SER N . 51723 5 207 . 1 . 1 47 47 ALA H H 1 9.117 . . . . . . . . 122 ALA H . 51723 5 208 . 1 . 1 47 47 ALA C C 13 175.472 . . . . . . . . 122 ALA CO . 51723 5 209 . 1 . 1 47 47 ALA CA C 13 50.092 . . . . . . . . 122 ALA CA . 51723 5 210 . 1 . 1 47 47 ALA CB C 13 20.776 . . . . . . . . 122 ALA CB . 51723 5 211 . 1 . 1 47 47 ALA N N 15 123.131 . . . . . . . . 122 ALA N . 51723 5 212 . 1 . 1 48 48 ILE H H 1 7.597 . . . . . . . . 123 ILE H . 51723 5 213 . 1 . 1 48 48 ILE C C 13 183.376 . . . . . . . . 123 ILE CO . 51723 5 214 . 1 . 1 48 48 ILE CA C 13 64.648 . . . . . . . . 123 ILE CA . 51723 5 215 . 1 . 1 48 48 ILE CB C 13 38.074 . . . . . . . . 123 ILE CB . 51723 5 216 . 1 . 1 48 48 ILE N N 15 119.301 . . . . . . . . 123 ILE N . 51723 5 217 . 1 . 1 49 49 CYS C C 13 175.328 . . . . . . . . 124 CYS CO . 51723 5 218 . 1 . 1 49 49 CYS CA C 13 55.003 . . . . . . . . 124 CYS CA . 51723 5 219 . 1 . 1 49 49 CYS CB C 13 42.209 . . . . . . . . 124 CYS CB . 51723 5 220 . 1 . 1 50 50 THR H H 1 9.560 . . . . . . . . 125 THR H . 51723 5 221 . 1 . 1 50 50 THR C C 13 176.592 . . . . . . . . 125 THR CO . 51723 5 222 . 1 . 1 50 50 THR CA C 13 61.776 . . . . . . . . 125 THR CA . 51723 5 223 . 1 . 1 50 50 THR CB C 13 71.638 . . . . . . . . 125 THR CB . 51723 5 224 . 1 . 1 50 50 THR N N 15 111.895 . . . . . . . . 125 THR N . 51723 5 225 . 1 . 1 51 51 HIS H H 1 9.248 . . . . . . . . 126 HIS H . 51723 5 226 . 1 . 1 51 51 HIS C C 13 174.134 . . . . . . . . 126 HIS CO . 51723 5 227 . 1 . 1 51 51 HIS CA C 13 59.400 . . . . . . . . 126 HIS CA . 51723 5 228 . 1 . 1 51 51 HIS CB C 13 28.503 . . . . . . . . 126 HIS CB . 51723 5 229 . 1 . 1 51 51 HIS N N 15 119.939 . . . . . . . . 126 HIS N . 51723 5 230 . 1 . 1 54 54 CYS C C 13 171.311 . . . . . . . . 129 CYS CO . 51723 5 231 . 1 . 1 54 54 CYS CA C 13 58.362 . . . . . . . . 129 CYS CA . 51723 5 232 . 1 . 1 55 55 LEU H H 1 8.293 . . . . . . . . 130 LEU H . 51723 5 233 . 1 . 1 55 55 LEU C C 13 177.969 . . . . . . . . 130 LEU CO . 51723 5 234 . 1 . 1 55 55 LEU CA C 13 54.399 . . . . . . . . 130 LEU CA . 51723 5 235 . 1 . 1 55 55 LEU CB C 13 42.317 . . . . . . . . 130 LEU CB . 51723 5 236 . 1 . 1 55 55 LEU N N 15 120.183 . . . . . . . . 130 LEU N . 51723 5 237 . 1 . 1 56 56 VAL H H 1 7.911 . . . . . . . . 131 VAL H . 51723 5 238 . 1 . 1 56 56 VAL C C 13 173.500 . . . . . . . . 131 VAL CO . 51723 5 239 . 1 . 1 56 56 VAL CA C 13 60.231 . . . . . . . . 131 VAL CA . 51723 5 240 . 1 . 1 56 56 VAL CB C 13 31.886 . . . . . . . . 131 VAL CB . 51723 5 241 . 1 . 1 56 56 VAL N N 15 116.281 . . . . . . . . 131 VAL N . 51723 5 242 . 1 . 1 57 57 HIS H H 1 8.142 . . . . . . . . 132 HIS H . 51723 5 243 . 1 . 1 57 57 HIS C C 13 173.232 . . . . . . . . 132 HIS CO . 51723 5 244 . 1 . 1 57 57 HIS CA C 13 54.533 . . . . . . . . 132 HIS CA . 51723 5 245 . 1 . 1 57 57 HIS CB C 13 33.530 . . . . . . . . 132 HIS CB . 51723 5 246 . 1 . 1 57 57 HIS N N 15 111.323 . . . . . . . . 132 HIS N . 51723 5 247 . 1 . 1 58 58 TRP H H 1 8.819 . . . . . . . . 133 TRP H . 51723 5 248 . 1 . 1 58 58 TRP HE1 H 1 10.903 . . . . . . . . 133 TRP HE1 . 51723 5 249 . 1 . 1 58 58 TRP C C 13 174.157 . . . . . . . . 133 TRP CO . 51723 5 250 . 1 . 1 58 58 TRP CA C 13 56.004 . . . . . . . . 133 TRP CA . 51723 5 251 . 1 . 1 58 58 TRP CB C 13 31.201 . . . . . . . . 133 TRP CB . 51723 5 252 . 1 . 1 58 58 TRP N N 15 119.817 . . . . . . . . 133 TRP N . 51723 5 253 . 1 . 1 58 58 TRP NE1 N 15 128.892 . . . . . . . . 133 TRP NE1 . 51723 5 254 . 1 . 1 59 59 ASP H H 1 8.215 . . . . . . . . 134 ASP H . 51723 5 255 . 1 . 1 59 59 ASP C C 13 174.172 . . . . . . . . 134 ASP CO . 51723 5 256 . 1 . 1 59 59 ASP CA C 13 51.608 . . . . . . . . 134 ASP CA . 51723 5 257 . 1 . 1 59 59 ASP CB C 13 41.552 . . . . . . . . 134 ASP CB . 51723 5 258 . 1 . 1 59 59 ASP N N 15 130.831 . . . . . . . . 134 ASP N . 51723 5 259 . 1 . 1 60 60 GLU H H 1 8.053 . . . . . . . . 135 GLU H . 51723 5 260 . 1 . 1 60 60 GLU C C 13 177.682 . . . . . . . . 135 GLU CO . 51723 5 261 . 1 . 1 60 60 GLU CA C 13 58.141 . . . . . . . . 135 GLU CA . 51723 5 262 . 1 . 1 60 60 GLU CB C 13 29.136 . . . . . . . . 135 GLU CB . 51723 5 263 . 1 . 1 60 60 GLU N N 15 125.102 . . . . . . . . 135 GLU N . 51723 5 264 . 1 . 1 61 61 ALA H H 1 7.974 . . . . . . . . 136 ALA H . 51723 5 265 . 1 . 1 61 61 ALA C C 13 179.173 . . . . . . . . 136 ALA CO . 51723 5 266 . 1 . 1 61 61 ALA CA C 13 54.284 . . . . . . . . 136 ALA CA . 51723 5 267 . 1 . 1 61 61 ALA CB C 13 18.347 . . . . . . . . 136 ALA CB . 51723 5 268 . 1 . 1 61 61 ALA N N 15 120.172 . . . . . . . . 136 ALA N . 51723 5 269 . 1 . 1 62 62 ALA H H 1 7.243 . . . . . . . . 137 ALA H . 51723 5 270 . 1 . 1 62 62 ALA C C 13 176.049 . . . . . . . . 137 ALA CO . 51723 5 271 . 1 . 1 62 62 ALA CA C 13 51.049 . . . . . . . . 137 ALA CA . 51723 5 272 . 1 . 1 62 62 ALA CB C 13 20.089 . . . . . . . . 137 ALA CB . 51723 5 273 . 1 . 1 62 62 ALA N N 15 118.260 . . . . . . . . 137 ALA N . 51723 5 274 . 1 . 1 63 63 ASP H H 1 7.747 . . . . . . . . 138 ASP H . 51723 5 275 . 1 . 1 63 63 ASP C C 13 174.745 . . . . . . . . 138 ASP CO . 51723 5 276 . 1 . 1 63 63 ASP CA C 13 54.475 . . . . . . . . 138 ASP CA . 51723 5 277 . 1 . 1 63 63 ASP CB C 13 39.087 . . . . . . . . 138 ASP CB . 51723 5 278 . 1 . 1 63 63 ASP N N 15 120.434 . . . . . . . . 138 ASP N . 51723 5 279 . 1 . 1 64 64 MET H H 1 6.579 . . . . . . . . 139 MET H . 51723 5 280 . 1 . 1 64 64 MET C C 13 173.879 . . . . . . . . 139 MET CO . 51723 5 281 . 1 . 1 64 64 MET CA C 13 55.590 . . . . . . . . 139 MET CA . 51723 5 282 . 1 . 1 64 64 MET CB C 13 35.500 . . . . . . . . 139 MET CB . 51723 5 283 . 1 . 1 64 64 MET N N 15 113.028 . . . . . . . . 139 MET N . 51723 5 284 . 1 . 1 65 65 ILE H H 1 8.905 . . . . . . . . 140 ILE H . 51723 5 285 . 1 . 1 65 65 ILE C C 13 174.349 . . . . . . . . 140 ILE CO . 51723 5 286 . 1 . 1 65 65 ILE CA C 13 61.607 . . . . . . . . 140 ILE CA . 51723 5 287 . 1 . 1 65 65 ILE CB C 13 38.649 . . . . . . . . 140 ILE CB . 51723 5 288 . 1 . 1 65 65 ILE N N 15 121.052 . . . . . . . . 140 ILE N . 51723 5 289 . 1 . 1 66 66 ALA H H 1 8.748 . . . . . . . . 141 ALA H . 51723 5 290 . 1 . 1 66 66 ALA C C 13 180.976 . . . . . . . . 141 ALA CO . 51723 5 291 . 1 . 1 66 66 ALA CA C 13 56.472 . . . . . . . . 141 ALA CA . 51723 5 292 . 1 . 1 66 66 ALA N N 15 132.226 . . . . . . . . 141 ALA N . 51723 5 293 . 1 . 1 76 76 GLN C C 13 174.155 . . . . . . . . 151 GLN CO . 51723 5 294 . 1 . 1 76 76 GLN CA C 13 59.430 . . . . . . . . 151 GLN CA . 51723 5 295 . 1 . 1 76 76 GLN CB C 13 28.500 . . . . . . . . 151 GLN CB . 51723 5 296 . 1 . 1 77 77 ASP H H 1 7.834 . . . . . . . . 152 ASP H . 51723 5 297 . 1 . 1 77 77 ASP C C 13 176.167 . . . . . . . . 152 ASP CO . 51723 5 298 . 1 . 1 77 77 ASP CA C 13 52.395 . . . . . . . . 152 ASP CA . 51723 5 299 . 1 . 1 77 77 ASP CB C 13 39.474 . . . . . . . . 152 ASP CB . 51723 5 300 . 1 . 1 77 77 ASP N N 15 108.690 . . . . . . . . 152 ASP N . 51723 5 301 . 1 . 1 78 78 GLY H H 1 8.419 . . . . . . . . 153 GLY H . 51723 5 302 . 1 . 1 78 78 GLY C C 13 173.143 . . . . . . . . 153 GLY CO . 51723 5 303 . 1 . 1 78 78 GLY CA C 13 47.303 . . . . . . . . 153 GLY CA . 51723 5 304 . 1 . 1 78 78 GLY N N 15 108.248 . . . . . . . . 153 GLY N . 51723 5 305 . 1 . 1 79 79 LYS H H 1 7.984 . . . . . . . . 154 LYS H . 51723 5 306 . 1 . 1 79 79 LYS C C 13 177.644 . . . . . . . . 154 LYS CO . 51723 5 307 . 1 . 1 79 79 LYS CA C 13 56.530 . . . . . . . . 154 LYS CA . 51723 5 308 . 1 . 1 79 79 LYS CB C 13 31.784 . . . . . . . . 154 LYS CB . 51723 5 309 . 1 . 1 79 79 LYS N N 15 118.471 . . . . . . . . 154 LYS N . 51723 5 310 . 1 . 1 80 80 ILE H H 1 8.699 . . . . . . . . 155 ILE H . 51723 5 311 . 1 . 1 80 80 ILE C C 13 177.490 . . . . . . . . 155 ILE CO . 51723 5 312 . 1 . 1 80 80 ILE CA C 13 65.400 . . . . . . . . 155 ILE CA . 51723 5 313 . 1 . 1 80 80 ILE CB C 13 39.432 . . . . . . . . 155 ILE CB . 51723 5 314 . 1 . 1 80 80 ILE N N 15 120.779 . . . . . . . . 155 ILE N . 51723 5 315 . 1 . 1 81 81 ILE H H 1 8.519 . . . . . . . . 156 ILE H . 51723 5 316 . 1 . 1 81 81 ILE C C 13 175.691 . . . . . . . . 156 ILE CO . 51723 5 317 . 1 . 1 81 81 ILE CA C 13 64.001 . . . . . . . . 156 ILE CA . 51723 5 318 . 1 . 1 81 81 ILE CB C 13 39.222 . . . . . . . . 156 ILE CB . 51723 5 319 . 1 . 1 81 81 ILE N N 15 128.348 . . . . . . . . 156 ILE N . 51723 5 320 . 1 . 1 82 82 SER H H 1 7.718 . . . . . . . . 157 SER H . 51723 5 321 . 1 . 1 82 82 SER C C 13 171.328 . . . . . . . . 157 SER CO . 51723 5 322 . 1 . 1 82 82 SER CA C 13 57.470 . . . . . . . . 157 SER CA . 51723 5 323 . 1 . 1 82 82 SER CB C 13 64.228 . . . . . . . . 157 SER CB . 51723 5 324 . 1 . 1 82 82 SER N N 15 110.444 . . . . . . . . 157 SER N . 51723 5 325 . 1 . 1 83 83 GLY H H 1 8.421 . . . . . . . . 158 GLY H . 51723 5 326 . 1 . 1 83 83 GLY CA C 13 44.657 . . . . . . . . 158 GLY CA . 51723 5 327 . 1 . 1 83 83 GLY N N 15 107.964 . . . . . . . . 158 GLY N . 51723 5 328 . 1 . 1 87 87 LEU H H 1 6.848 . . . . . . . . 162 LEU H . 51723 5 329 . 1 . 1 87 87 LEU N N 15 118.679 . . . . . . . . 162 LEU N . 51723 5 330 . 1 . 1 88 88 PRO C C 13 175.631 . . . . . . . . 163 PRO CO . 51723 5 331 . 1 . 1 88 88 PRO CA C 13 62.496 . . . . . . . . 163 PRO CA . 51723 5 332 . 1 . 1 88 88 PRO CB C 13 33.827 . . . . . . . . 163 PRO CB . 51723 5 333 . 1 . 1 89 89 LEU H H 1 8.899 . . . . . . . . 164 LEU H . 51723 5 334 . 1 . 1 89 89 LEU C C 13 177.617 . . . . . . . . 164 LEU CO . 51723 5 335 . 1 . 1 89 89 LEU CA C 13 54.532 . . . . . . . . 164 LEU CA . 51723 5 336 . 1 . 1 89 89 LEU CB C 13 40.846 . . . . . . . . 164 LEU CB . 51723 5 337 . 1 . 1 89 89 LEU N N 15 120.675 . . . . . . . . 164 LEU N . 51723 5 338 . 1 . 1 90 90 LYS H H 1 8.577 . . . . . . . . 165 LYS H . 51723 5 339 . 1 . 1 90 90 LYS C C 13 175.501 . . . . . . . . 165 LYS CO . 51723 5 340 . 1 . 1 90 90 LYS CA C 13 57.303 . . . . . . . . 165 LYS CA . 51723 5 341 . 1 . 1 90 90 LYS CB C 13 33.563 . . . . . . . . 165 LYS CB . 51723 5 342 . 1 . 1 90 90 LYS N N 15 124.442 . . . . . . . . 165 LYS N . 51723 5 343 . 1 . 1 91 91 GLN H H 1 8.338 . . . . . . . . 166 GLN H . 51723 5 344 . 1 . 1 91 91 GLN C C 13 175.876 . . . . . . . . 166 GLN CO . 51723 5 345 . 1 . 1 91 91 GLN CA C 13 56.482 . . . . . . . . 166 GLN CA . 51723 5 346 . 1 . 1 91 91 GLN CB C 13 30.428 . . . . . . . . 166 GLN CB . 51723 5 347 . 1 . 1 91 91 GLN N N 15 122.644 . . . . . . . . 166 GLN N . 51723 5 348 . 1 . 1 92 92 TYR H H 1 8.677 . . . . . . . . 167 TYR H . 51723 5 349 . 1 . 1 92 92 TYR C C 13 174.695 . . . . . . . . 167 TYR CO . 51723 5 350 . 1 . 1 92 92 TYR CA C 13 57.476 . . . . . . . . 167 TYR CA . 51723 5 351 . 1 . 1 92 92 TYR CB C 13 40.694 . . . . . . . . 167 TYR CB . 51723 5 352 . 1 . 1 92 92 TYR N N 15 123.352 . . . . . . . . 167 TYR N . 51723 5 353 . 1 . 1 93 93 LYS H H 1 8.715 . . . . . . . . 168 LYS H . 51723 5 354 . 1 . 1 93 93 LYS C C 13 174.991 . . . . . . . . 168 LYS CO . 51723 5 355 . 1 . 1 93 93 LYS CA C 13 55.256 . . . . . . . . 168 LYS CA . 51723 5 356 . 1 . 1 93 93 LYS CB C 13 33.349 . . . . . . . . 168 LYS CB . 51723 5 357 . 1 . 1 93 93 LYS N N 15 121.328 . . . . . . . . 168 LYS N . 51723 5 358 . 1 . 1 94 94 VAL H H 1 8.378 . . . . . . . . 169 VAL H . 51723 5 359 . 1 . 1 94 94 VAL C C 13 172.271 . . . . . . . . 169 VAL CO . 51723 5 360 . 1 . 1 94 94 VAL CA C 13 59.224 . . . . . . . . 169 VAL CA . 51723 5 361 . 1 . 1 94 94 VAL CB C 13 34.035 . . . . . . . . 169 VAL CB . 51723 5 362 . 1 . 1 94 94 VAL N N 15 119.430 . . . . . . . . 169 VAL N . 51723 5 363 . 1 . 1 95 95 LYS H H 1 8.410 . . . . . . . . 170 LYS H . 51723 5 364 . 1 . 1 95 95 LYS C C 13 173.118 . . . . . . . . 170 LYS CO . 51723 5 365 . 1 . 1 95 95 LYS CA C 13 54.256 . . . . . . . . 170 LYS CA . 51723 5 366 . 1 . 1 95 95 LYS CB C 13 35.775 . . . . . . . . 170 LYS CB . 51723 5 367 . 1 . 1 95 95 LYS N N 15 124.473 . . . . . . . . 170 LYS N . 51723 5 368 . 1 . 1 96 96 ILE H H 1 8.383 . . . . . . . . 171 ILE H . 51723 5 369 . 1 . 1 96 96 ILE C C 13 176.488 . . . . . . . . 171 ILE CO . 51723 5 370 . 1 . 1 96 96 ILE CA C 13 59.149 . . . . . . . . 171 ILE CA . 51723 5 371 . 1 . 1 96 96 ILE CB C 13 37.507 . . . . . . . . 171 ILE CB . 51723 5 372 . 1 . 1 96 96 ILE N N 15 119.896 . . . . . . . . 171 ILE N . 51723 5 373 . 1 . 1 97 97 GLU H H 1 9.078 . . . . . . . . 172 GLU H . 51723 5 374 . 1 . 1 97 97 GLU C C 13 175.866 . . . . . . . . 172 GLU CO . 51723 5 375 . 1 . 1 97 97 GLU CA C 13 55.375 . . . . . . . . 172 GLU CA . 51723 5 376 . 1 . 1 97 97 GLU CB C 13 33.470 . . . . . . . . 172 GLU CB . 51723 5 377 . 1 . 1 97 97 GLU N N 15 128.558 . . . . . . . . 172 GLU N . 51723 5 378 . 1 . 1 98 98 ASP C C 13 175.880 . . . . . . . . 173 ASP CO . 51723 5 379 . 1 . 1 98 98 ASP CA C 13 55.240 . . . . . . . . 173 ASP CA . 51723 5 380 . 1 . 1 98 98 ASP CB C 13 40.018 . . . . . . . . 173 ASP CB . 51723 5 381 . 1 . 1 99 99 GLY H H 1 8.433 . . . . . . . . 174 GLY H . 51723 5 382 . 1 . 1 99 99 GLY C C 13 174.325 . . . . . . . . 174 GLY CO . 51723 5 383 . 1 . 1 99 99 GLY CA C 13 45.730 . . . . . . . . 174 GLY CA . 51723 5 384 . 1 . 1 99 99 GLY N N 15 101.638 . . . . . . . . 174 GLY N . 51723 5 385 . 1 . 1 100 100 LYS H H 1 8.002 . . . . . . . . 175 LYS H . 51723 5 386 . 1 . 1 100 100 LYS C C 13 174.263 . . . . . . . . 175 LYS CO . 51723 5 387 . 1 . 1 100 100 LYS CA C 13 54.470 . . . . . . . . 175 LYS CA . 51723 5 388 . 1 . 1 100 100 LYS CB C 13 34.784 . . . . . . . . 175 LYS CB . 51723 5 389 . 1 . 1 100 100 LYS N N 15 121.289 . . . . . . . . 175 LYS N . 51723 5 390 . 1 . 1 101 101 ILE H H 1 8.775 . . . . . . . . 176 ILE H . 51723 5 391 . 1 . 1 101 101 ILE C C 13 174.681 . . . . . . . . 176 ILE CO . 51723 5 392 . 1 . 1 101 101 ILE CA C 13 61.650 . . . . . . . . 176 ILE CA . 51723 5 393 . 1 . 1 101 101 ILE CB C 13 37.743 . . . . . . . . 176 ILE CB . 51723 5 394 . 1 . 1 101 101 ILE N N 15 121.038 . . . . . . . . 176 ILE N . 51723 5 395 . 1 . 1 102 102 VAL H H 1 9.057 . . . . . . . . 177 VAL H . 51723 5 396 . 1 . 1 102 102 VAL C C 13 176.186 . . . . . . . . 177 VAL CO . 51723 5 397 . 1 . 1 102 102 VAL CA C 13 61.461 . . . . . . . . 177 VAL CA . 51723 5 398 . 1 . 1 102 102 VAL CB C 13 32.935 . . . . . . . . 177 VAL CB . 51723 5 399 . 1 . 1 102 102 VAL N N 15 129.107 . . . . . . . . 177 VAL N . 51723 5 400 . 1 . 1 103 103 VAL H H 1 8.542 . . . . . . . . 178 VAL H . 51723 5 401 . 1 . 1 103 103 VAL C C 13 173.944 . . . . . . . . 178 VAL CO . 51723 5 402 . 1 . 1 103 103 VAL CA C 13 60.230 . . . . . . . . 178 VAL CA . 51723 5 403 . 1 . 1 103 103 VAL CB C 13 33.475 . . . . . . . . 178 VAL CB . 51723 5 404 . 1 . 1 103 103 VAL N N 15 130.081 . . . . . . . . 178 VAL N . 51723 5 405 . 1 . 1 104 104 SER H H 1 9.067 . . . . . . . . 179 SER H . 51723 5 406 . 1 . 1 104 104 SER C C 13 173.646 . . . . . . . . 179 SER CO . 51723 5 407 . 1 . 1 104 104 SER CA C 13 56.792 . . . . . . . . 179 SER CA . 51723 5 408 . 1 . 1 104 104 SER CB C 13 66.391 . . . . . . . . 179 SER CB . 51723 5 409 . 1 . 1 104 104 SER N N 15 117.872 . . . . . . . . 179 SER N . 51723 5 410 . 1 . 1 105 105 ILE H H 1 8.184 . . . . . . . . 180 ILE H . 51723 5 411 . 1 . 1 105 105 ILE C C 13 176.001 . . . . . . . . 180 ILE CO . 51723 5 412 . 1 . 1 105 105 ILE CA C 13 61.759 . . . . . . . . 180 ILE CA . 51723 5 413 . 1 . 1 105 105 ILE CB C 13 39.344 . . . . . . . . 180 ILE CB . 51723 5 414 . 1 . 1 105 105 ILE N N 15 119.116 . . . . . . . . 180 ILE N . 51723 5 415 . 1 . 1 106 106 ALA H H 1 8.611 . . . . . . . . 181 ALA H . 51723 5 416 . 1 . 1 106 106 ALA C C 13 176.990 . . . . . . . . 181 ALA CO . 51723 5 417 . 1 . 1 106 106 ALA CA C 13 52.119 . . . . . . . . 181 ALA CA . 51723 5 418 . 1 . 1 106 106 ALA CB C 13 19.579 . . . . . . . . 181 ALA CB . 51723 5 419 . 1 . 1 106 106 ALA N N 15 128.936 . . . . . . . . 181 ALA N . 51723 5 420 . 1 . 1 107 107 LYS C C 13 176.133 . . . . . . . . 182 LYS CO . 51723 5 421 . 1 . 1 107 107 LYS CA C 13 56.082 . . . . . . . . 182 LYS CA . 51723 5 422 . 1 . 1 107 107 LYS CB C 13 33.276 . . . . . . . . 182 LYS CB . 51723 5 423 . 1 . 1 108 108 LEU H H 1 8.325 . . . . . . . . 183 LEU H . 51723 5 424 . 1 . 1 108 108 LEU C C 13 177.025 . . . . . . . . 183 LEU CO . 51723 5 425 . 1 . 1 108 108 LEU CA C 13 55.025 . . . . . . . . 183 LEU CA . 51723 5 426 . 1 . 1 108 108 LEU CB C 13 42.555 . . . . . . . . 183 LEU CB . 51723 5 427 . 1 . 1 108 108 LEU N N 15 124.637 . . . . . . . . 183 LEU N . 51723 5 428 . 1 . 1 109 109 ALA H H 1 8.337 . . . . . . . . 184 ALA H . 51723 5 429 . 1 . 1 109 109 ALA C C 13 177.376 . . . . . . . . 184 ALA CO . 51723 5 430 . 1 . 1 109 109 ALA CA C 13 52.558 . . . . . . . . 184 ALA CA . 51723 5 431 . 1 . 1 109 109 ALA CB C 13 19.301 . . . . . . . . 184 ALA CB . 51723 5 432 . 1 . 1 109 109 ALA N N 15 125.523 . . . . . . . . 184 ALA N . 51723 5 433 . 1 . 1 110 110 ALA C C 13 177.537 . . . . . . . . 185 ALA CO . 51723 5 434 . 1 . 1 110 110 ALA CA C 13 52.544 . . . . . . . . 185 ALA CA . 51723 5 435 . 1 . 1 110 110 ALA CB C 13 19.362 . . . . . . . . 185 ALA CB . 51723 5 436 . 1 . 1 111 111 ALA H H 1 8.210 . . . . . . . . 186 ALA H . 51723 5 437 . 1 . 1 111 111 ALA C C 13 177.716 . . . . . . . . 186 ALA CO . 51723 5 438 . 1 . 1 111 111 ALA CA C 13 52.522 . . . . . . . . 186 ALA CA . 51723 5 439 . 1 . 1 111 111 ALA CB C 13 19.252 . . . . . . . . 186 ALA CB . 51723 5 440 . 1 . 1 111 111 ALA N N 15 123.012 . . . . . . . . 186 ALA N . 51723 5 441 . 1 . 1 112 112 LEU H H 1 8.124 . . . . . . . . 187 LEU H . 51723 5 442 . 1 . 1 112 112 LEU C C 13 177.420 . . . . . . . . 187 LEU CO . 51723 5 443 . 1 . 1 112 112 LEU CA C 13 55.194 . . . . . . . . 187 LEU CA . 51723 5 444 . 1 . 1 112 112 LEU CB C 13 42.365 . . . . . . . . 187 LEU CB . 51723 5 445 . 1 . 1 112 112 LEU N N 15 120.901 . . . . . . . . 187 LEU N . 51723 5 446 . 1 . 1 113 113 GLU H H 1 8.276 . . . . . . . . 188 GLU H . 51723 5 447 . 1 . 1 113 113 GLU C C 13 176.168 . . . . . . . . 188 GLU CO . 51723 5 448 . 1 . 1 113 113 GLU CA C 13 56.559 . . . . . . . . 188 GLU CA . 51723 5 449 . 1 . 1 113 113 GLU CB C 13 30.424 . . . . . . . . 188 GLU CB . 51723 5 450 . 1 . 1 113 113 GLU N N 15 121.144 . . . . . . . . 188 GLU N . 51723 5 stop_ save_ save_assigned_chemical_shifts_6 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_6 _Assigned_chem_shift_list.Entry_ID 51723 _Assigned_chem_shift_list.ID 6 _Assigned_chem_shift_list.Name assigned_chem_shift_list_6 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '3D HNCO' . . . 51723 6 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51723 6 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 LYS CA C 13 56.120 . . . . . . . . 78 LYS CA . 51723 6 2 . 1 . 1 3 3 LYS CB C 13 33.083 . . . . . . . . 78 LYS CB . 51723 6 3 . 1 . 1 4 4 ILE H H 1 8.206 . . . . . . . . 79 ILE H . 51723 6 4 . 1 . 1 4 4 ILE C C 13 175.644 . . . . . . . . 79 ILE CO . 51723 6 5 . 1 . 1 4 4 ILE CA C 13 60.721 . . . . . . . . 79 ILE CA . 51723 6 6 . 1 . 1 4 4 ILE CB C 13 39.069 . . . . . . . . 79 ILE CB . 51723 6 7 . 1 . 1 4 4 ILE N N 15 123.064 . . . . . . . . 79 ILE N . 51723 6 8 . 1 . 1 5 5 LYS H H 1 8.368 . . . . . . . . 80 LYS H . 51723 6 9 . 1 . 1 5 5 LYS C C 13 175.570 . . . . . . . . 80 LYS CO . 51723 6 10 . 1 . 1 5 5 LYS CA C 13 56.076 . . . . . . . . 80 LYS CA . 51723 6 11 . 1 . 1 5 5 LYS CB C 13 33.184 . . . . . . . . 80 LYS CB . 51723 6 12 . 1 . 1 5 5 LYS N N 15 126.587 . . . . . . . . 80 LYS N . 51723 6 13 . 1 . 1 6 6 ILE H H 1 8.194 . . . . . . . . 81 ILE H . 51723 6 14 . 1 . 1 6 6 ILE C C 13 176.115 . . . . . . . . 81 ILE CO . 51723 6 15 . 1 . 1 6 6 ILE CA C 13 60.356 . . . . . . . . 81 ILE CA . 51723 6 16 . 1 . 1 6 6 ILE CB C 13 38.674 . . . . . . . . 81 ILE CB . 51723 6 17 . 1 . 1 6 6 ILE N N 15 124.683 . . . . . . . . 81 ILE N . 51723 6 18 . 1 . 1 7 7 VAL H H 1 8.621 . . . . . . . . 82 VAL H . 51723 6 19 . 1 . 1 7 7 VAL C C 13 175.402 . . . . . . . . 82 VAL CO . 51723 6 20 . 1 . 1 7 7 VAL CA C 13 60.516 . . . . . . . . 82 VAL CA . 51723 6 21 . 1 . 1 7 7 VAL CB C 13 33.603 . . . . . . . . 82 VAL CB . 51723 6 22 . 1 . 1 7 7 VAL N N 15 123.770 . . . . . . . . 82 VAL N . 51723 6 23 . 1 . 1 8 8 ASN C C 13 174.392 . . . . . . . . 83 ASN CO . 51723 6 24 . 1 . 1 8 8 ASN CA C 13 54.389 . . . . . . . . 83 ASN CA . 51723 6 25 . 1 . 1 8 8 ASN CB C 13 39.749 . . . . . . . . 83 ASN CB . 51723 6 26 . 1 . 1 9 9 GLU H H 1 7.534 . . . . . . . . 84 GLU H . 51723 6 27 . 1 . 1 9 9 GLU C C 13 173.944 . . . . . . . . 84 GLU CO . 51723 6 28 . 1 . 1 9 9 GLU CA C 13 54.741 . . . . . . . . 84 GLU CA . 51723 6 29 . 1 . 1 9 9 GLU CB C 13 32.911 . . . . . . . . 84 GLU CB . 51723 6 30 . 1 . 1 9 9 GLU N N 15 116.595 . . . . . . . . 84 GLU N . 51723 6 31 . 1 . 1 10 10 LEU H H 1 9.065 . . . . . . . . 85 LEU H . 51723 6 32 . 1 . 1 10 10 LEU C C 13 174.306 . . . . . . . . 85 LEU CO . 51723 6 33 . 1 . 1 10 10 LEU CA C 13 54.616 . . . . . . . . 85 LEU CA . 51723 6 34 . 1 . 1 10 10 LEU CB C 13 47.586 . . . . . . . . 85 LEU CB . 51723 6 35 . 1 . 1 10 10 LEU N N 15 123.989 . . . . . . . . 85 LEU N . 51723 6 36 . 1 . 1 11 11 ALA H H 1 8.653 . . . . . . . . 86 ALA H . 51723 6 37 . 1 . 1 11 11 ALA C C 13 177.704 . . . . . . . . 86 ALA CO . 51723 6 38 . 1 . 1 11 11 ALA CA C 13 50.574 . . . . . . . . 86 ALA CA . 51723 6 39 . 1 . 1 11 11 ALA CB C 13 17.395 . . . . . . . . 86 ALA CB . 51723 6 40 . 1 . 1 11 11 ALA N N 15 128.981 . . . . . . . . 86 ALA N . 51723 6 41 . 1 . 1 12 12 VAL H H 1 8.377 . . . . . . . . 87 VAL H . 51723 6 42 . 1 . 1 12 12 VAL C C 13 175.536 . . . . . . . . 87 VAL CO . 51723 6 43 . 1 . 1 12 12 VAL CA C 13 62.225 . . . . . . . . 87 VAL CA . 51723 6 44 . 1 . 1 12 12 VAL CB C 13 31.762 . . . . . . . . 87 VAL CB . 51723 6 45 . 1 . 1 12 12 VAL N N 15 118.663 . . . . . . . . 87 VAL N . 51723 6 46 . 1 . 1 13 13 GLY H H 1 6.999 . . . . . . . . 88 GLY H . 51723 6 47 . 1 . 1 13 13 GLY C C 13 168.957 . . . . . . . . 88 GLY CO . 51723 6 48 . 1 . 1 13 13 GLY CA C 13 45.032 . . . . . . . . 88 GLY CA . 51723 6 49 . 1 . 1 13 13 GLY N N 15 105.978 . . . . . . . . 88 GLY N . 51723 6 50 . 1 . 1 14 14 PRO C C 13 177.192 . . . . . . . . 89 PRO CO . 51723 6 51 . 1 . 1 14 14 PRO CA C 13 62.251 . . . . . . . . 89 PRO CA . 51723 6 52 . 1 . 1 14 14 PRO CB C 13 32.312 . . . . . . . . 89 PRO CB . 51723 6 53 . 1 . 1 15 15 ALA H H 1 8.491 . . . . . . . . 90 ALA H . 51723 6 54 . 1 . 1 15 15 ALA C C 13 179.072 . . . . . . . . 90 ALA CO . 51723 6 55 . 1 . 1 15 15 ALA CA C 13 54.928 . . . . . . . . 90 ALA CA . 51723 6 56 . 1 . 1 15 15 ALA CB C 13 17.922 . . . . . . . . 90 ALA CB . 51723 6 57 . 1 . 1 15 15 ALA N N 15 123.447 . . . . . . . . 90 ALA N . 51723 6 58 . 1 . 1 16 16 SER H H 1 8.019 . . . . . . . . 91 SER H . 51723 6 59 . 1 . 1 16 16 SER C C 13 175.102 . . . . . . . . 91 SER CO . 51723 6 60 . 1 . 1 16 16 SER CA C 13 59.460 . . . . . . . . 91 SER CA . 51723 6 61 . 1 . 1 16 16 SER CB C 13 62.528 . . . . . . . . 91 SER CB . 51723 6 62 . 1 . 1 16 16 SER N N 15 110.324 . . . . . . . . 91 SER N . 51723 6 63 . 1 . 1 17 17 ASP H H 1 7.957 . . . . . . . . 92 ASP H . 51723 6 64 . 1 . 1 17 17 ASP C C 13 176.699 . . . . . . . . 92 ASP CO . 51723 6 65 . 1 . 1 17 17 ASP CA C 13 56.156 . . . . . . . . 92 ASP CA . 51723 6 66 . 1 . 1 17 17 ASP CB C 13 41.725 . . . . . . . . 92 ASP CB . 51723 6 67 . 1 . 1 17 17 ASP N N 15 121.439 . . . . . . . . 92 ASP N . 51723 6 68 . 1 . 1 18 18 VAL H H 1 6.978 . . . . . . . . 93 VAL H . 51723 6 69 . 1 . 1 18 18 VAL C C 13 172.057 . . . . . . . . 93 VAL CO . 51723 6 70 . 1 . 1 18 18 VAL CA C 13 58.912 . . . . . . . . 93 VAL CA . 51723 6 71 . 1 . 1 18 18 VAL CB C 13 31.745 . . . . . . . . 93 VAL CB . 51723 6 72 . 1 . 1 18 18 VAL N N 15 114.005 . . . . . . . . 93 VAL N . 51723 6 73 . 1 . 1 19 19 PRO C C 13 176.090 . . . . . . . . 94 PRO CO . 51723 6 74 . 1 . 1 19 19 PRO CA C 13 62.205 . . . . . . . . 94 PRO CA . 51723 6 75 . 1 . 1 19 19 PRO CB C 13 32.919 . . . . . . . . 94 PRO CB . 51723 6 76 . 1 . 1 20 20 ASN H H 1 8.552 . . . . . . . . 95 ASN H . 51723 6 77 . 1 . 1 20 20 ASN C C 13 175.897 . . . . . . . . 95 ASN CO . 51723 6 78 . 1 . 1 20 20 ASN CA C 13 55.877 . . . . . . . . 95 ASN CA . 51723 6 79 . 1 . 1 20 20 ASN CB C 13 39.090 . . . . . . . . 95 ASN CB . 51723 6 80 . 1 . 1 20 20 ASN N N 15 117.585 . . . . . . . . 95 ASN N . 51723 6 81 . 1 . 1 21 21 GLY H H 1 9.192 . . . . . . . . 96 GLY H . 51723 6 82 . 1 . 1 21 21 GLY C C 13 174.117 . . . . . . . . 96 GLY CO . 51723 6 83 . 1 . 1 21 21 GLY CA C 13 45.294 . . . . . . . . 96 GLY CA . 51723 6 84 . 1 . 1 21 21 GLY N N 15 114.783 . . . . . . . . 96 GLY N . 51723 6 85 . 1 . 1 22 22 THR H H 1 7.793 . . . . . . . . 97 THR H . 51723 6 86 . 1 . 1 22 22 THR C C 13 171.202 . . . . . . . . 97 THR CO . 51723 6 87 . 1 . 1 22 22 THR CA C 13 60.828 . . . . . . . . 97 THR CA . 51723 6 88 . 1 . 1 22 22 THR CB C 13 73.077 . . . . . . . . 97 THR CB . 51723 6 89 . 1 . 1 22 22 THR N N 15 110.878 . . . . . . . . 97 THR N . 51723 6 90 . 1 . 1 23 23 GLY H H 1 8.388 . . . . . . . . 98 GLY H . 51723 6 91 . 1 . 1 23 23 GLY C C 13 173.200 . . . . . . . . 98 GLY CO . 51723 6 92 . 1 . 1 23 23 GLY CA C 13 45.083 . . . . . . . . 98 GLY CA . 51723 6 93 . 1 . 1 23 23 GLY N N 15 104.354 . . . . . . . . 98 GLY N . 51723 6 94 . 1 . 1 24 24 LYS H H 1 8.902 . . . . . . . . 99 LYS H . 51723 6 95 . 1 . 1 24 24 LYS C C 13 173.324 . . . . . . . . 99 LYS CO . 51723 6 96 . 1 . 1 24 24 LYS CA C 13 55.492 . . . . . . . . 99 LYS CA . 51723 6 97 . 1 . 1 24 24 LYS CB C 13 37.650 . . . . . . . . 99 LYS CB . 51723 6 98 . 1 . 1 24 24 LYS N N 15 125.074 . . . . . . . . 99 LYS N . 51723 6 99 . 1 . 1 25 25 ILE H H 1 7.978 . . . . . . . . 100 ILE H . 51723 6 100 . 1 . 1 25 25 ILE C C 13 175.653 . . . . . . . . 100 ILE CO . 51723 6 101 . 1 . 1 25 25 ILE CA C 13 60.281 . . . . . . . . 100 ILE CA . 51723 6 102 . 1 . 1 25 25 ILE CB C 13 38.544 . . . . . . . . 100 ILE CB . 51723 6 103 . 1 . 1 25 25 ILE N N 15 124.294 . . . . . . . . 100 ILE N . 51723 6 104 . 1 . 1 26 26 TYR H H 1 9.332 . . . . . . . . 101 TYR H . 51723 6 105 . 1 . 1 26 26 TYR C C 13 174.770 . . . . . . . . 101 TYR CO . 51723 6 106 . 1 . 1 26 26 TYR CA C 13 56.709 . . . . . . . . 101 TYR CA . 51723 6 107 . 1 . 1 26 26 TYR CB C 13 42.798 . . . . . . . . 101 TYR CB . 51723 6 108 . 1 . 1 26 26 TYR N N 15 125.264 . . . . . . . . 101 TYR N . 51723 6 109 . 1 . 1 27 27 GLN H H 1 8.844 . . . . . . . . 102 GLN H . 51723 6 110 . 1 . 1 27 27 GLN C C 13 174.994 . . . . . . . . 102 GLN CO . 51723 6 111 . 1 . 1 27 27 GLN CA C 13 56.319 . . . . . . . . 102 GLN CA . 51723 6 112 . 1 . 1 27 27 GLN CB C 13 29.261 . . . . . . . . 102 GLN CB . 51723 6 113 . 1 . 1 27 27 GLN N N 15 122.599 . . . . . . . . 102 GLN N . 51723 6 114 . 1 . 1 28 28 PHE H H 1 8.437 . . . . . . . . 103 PHE H . 51723 6 115 . 1 . 1 28 28 PHE C C 13 173.872 . . . . . . . . 103 PHE CO . 51723 6 116 . 1 . 1 28 28 PHE CA C 13 57.173 . . . . . . . . 103 PHE CA . 51723 6 117 . 1 . 1 28 28 PHE CB C 13 40.980 . . . . . . . . 103 PHE CB . 51723 6 118 . 1 . 1 28 28 PHE N N 15 126.337 . . . . . . . . 103 PHE N . 51723 6 119 . 1 . 1 29 29 ASN H H 1 8.863 . . . . . . . . 104 ASN H . 51723 6 120 . 1 . 1 29 29 ASN C C 13 174.761 . . . . . . . . 104 ASN CO . 51723 6 121 . 1 . 1 29 29 ASN CA C 13 55.212 . . . . . . . . 104 ASN CA . 51723 6 122 . 1 . 1 29 29 ASN CB C 13 36.889 . . . . . . . . 104 ASN CB . 51723 6 123 . 1 . 1 29 29 ASN N N 15 123.979 . . . . . . . . 104 ASN N . 51723 6 124 . 1 . 1 30 30 ASP H H 1 8.605 . . . . . . . . 105 ASP H . 51723 6 125 . 1 . 1 30 30 ASP C C 13 174.483 . . . . . . . . 105 ASP CO . 51723 6 126 . 1 . 1 30 30 ASP CA C 13 54.438 . . . . . . . . 105 ASP CA . 51723 6 127 . 1 . 1 30 30 ASP CB C 13 40.389 . . . . . . . . 105 ASP CB . 51723 6 128 . 1 . 1 30 30 ASP N N 15 121.968 . . . . . . . . 105 ASP N . 51723 6 129 . 1 . 1 31 31 ASP H H 1 8.378 . . . . . . . . 106 ASP H . 51723 6 130 . 1 . 1 31 31 ASP C C 13 175.344 . . . . . . . . 106 ASP CO . 51723 6 131 . 1 . 1 31 31 ASP CA C 13 51.677 . . . . . . . . 106 ASP CA . 51723 6 132 . 1 . 1 31 31 ASP CB C 13 43.659 . . . . . . . . 106 ASP CB . 51723 6 133 . 1 . 1 31 31 ASP N N 15 122.113 . . . . . . . . 106 ASP N . 51723 6 134 . 1 . 1 32 32 LYS H H 1 8.672 . . . . . . . . 107 LYS H . 51723 6 135 . 1 . 1 32 32 LYS C C 13 175.005 . . . . . . . . 107 LYS CO . 51723 6 136 . 1 . 1 32 32 LYS CA C 13 54.931 . . . . . . . . 107 LYS CA . 51723 6 137 . 1 . 1 32 32 LYS CB C 13 35.587 . . . . . . . . 107 LYS CB . 51723 6 138 . 1 . 1 32 32 LYS N N 15 120.479 . . . . . . . . 107 LYS N . 51723 6 139 . 1 . 1 33 33 VAL H H 1 9.392 . . . . . . . . 108 VAL H . 51723 6 140 . 1 . 1 33 33 VAL C C 13 174.004 . . . . . . . . 108 VAL CO . 51723 6 141 . 1 . 1 33 33 VAL CA C 13 59.644 . . . . . . . . 108 VAL CA . 51723 6 142 . 1 . 1 33 33 VAL CB C 13 35.007 . . . . . . . . 108 VAL CB . 51723 6 143 . 1 . 1 33 33 VAL N N 15 120.157 . . . . . . . . 108 VAL N . 51723 6 144 . 1 . 1 34 34 ILE H H 1 9.698 . . . . . . . . 109 ILE H . 51723 6 145 . 1 . 1 34 34 ILE C C 13 173.572 . . . . . . . . 109 ILE CO . 51723 6 146 . 1 . 1 34 34 ILE CA C 13 58.100 . . . . . . . . 109 ILE CA . 51723 6 147 . 1 . 1 34 34 ILE CB C 13 41.213 . . . . . . . . 109 ILE CB . 51723 6 148 . 1 . 1 34 34 ILE N N 15 124.429 . . . . . . . . 109 ILE N . 51723 6 149 . 1 . 1 35 35 VAL H H 1 8.892 . . . . . . . . 110 VAL H . 51723 6 150 . 1 . 1 35 35 VAL C C 13 174.938 . . . . . . . . 110 VAL CO . 51723 6 151 . 1 . 1 35 35 VAL CA C 13 60.008 . . . . . . . . 110 VAL CA . 51723 6 152 . 1 . 1 35 35 VAL CB C 13 33.049 . . . . . . . . 110 VAL CB . 51723 6 153 . 1 . 1 35 35 VAL N N 15 131.008 . . . . . . . . 110 VAL N . 51723 6 154 . 1 . 1 36 36 VAL H H 1 8.519 . . . . . . . . 111 VAL H . 51723 6 155 . 1 . 1 36 36 VAL C C 13 173.740 . . . . . . . . 111 VAL CO . 51723 6 156 . 1 . 1 36 36 VAL CA C 13 60.630 . . . . . . . . 111 VAL CA . 51723 6 157 . 1 . 1 36 36 VAL CB C 13 34.079 . . . . . . . . 111 VAL CB . 51723 6 158 . 1 . 1 36 36 VAL N N 15 125.436 . . . . . . . . 111 VAL N . 51723 6 159 . 1 . 1 37 37 ASN H H 1 7.814 . . . . . . . . 112 ASN H . 51723 6 160 . 1 . 1 37 37 ASN C C 13 174.396 . . . . . . . . 112 ASN CO . 51723 6 161 . 1 . 1 37 37 ASN CA C 13 50.242 . . . . . . . . 112 ASN CA . 51723 6 162 . 1 . 1 37 37 ASN CB C 13 39.807 . . . . . . . . 112 ASN CB . 51723 6 163 . 1 . 1 37 37 ASN N N 15 122.990 . . . . . . . . 112 ASN N . 51723 6 164 . 1 . 1 38 38 HIS H H 1 8.366 . . . . . . . . 113 HIS H . 51723 6 165 . 1 . 1 38 38 HIS C C 13 175.871 . . . . . . . . 113 HIS CO . 51723 6 166 . 1 . 1 38 38 HIS CA C 13 55.817 . . . . . . . . 113 HIS CA . 51723 6 167 . 1 . 1 38 38 HIS CB C 13 30.947 . . . . . . . . 113 HIS CB . 51723 6 168 . 1 . 1 38 38 HIS N N 15 121.641 . . . . . . . . 113 HIS N . 51723 6 169 . 1 . 1 39 39 GLY H H 1 8.689 . . . . . . . . 114 GLY H . 51723 6 170 . 1 . 1 39 39 GLY C C 13 175.131 . . . . . . . . 114 GLY CO . 51723 6 171 . 1 . 1 39 39 GLY CA C 13 46.415 . . . . . . . . 114 GLY CA . 51723 6 172 . 1 . 1 39 39 GLY N N 15 117.329 . . . . . . . . 114 GLY N . 51723 6 173 . 1 . 1 40 40 GLY H H 1 8.871 . . . . . . . . 115 GLY H . 51723 6 174 . 1 . 1 40 40 GLY C C 13 173.958 . . . . . . . . 115 GLY CO . 51723 6 175 . 1 . 1 40 40 GLY CA C 13 45.028 . . . . . . . . 115 GLY CA . 51723 6 176 . 1 . 1 40 40 GLY N N 15 107.751 . . . . . . . . 115 GLY N . 51723 6 177 . 1 . 1 41 41 SER H H 1 7.745 . . . . . . . . 116 SER H . 51723 6 178 . 1 . 1 41 41 SER C C 13 171.875 . . . . . . . . 116 SER CO . 51723 6 179 . 1 . 1 41 41 SER CA C 13 57.087 . . . . . . . . 116 SER CA . 51723 6 180 . 1 . 1 41 41 SER CB C 13 64.803 . . . . . . . . 116 SER CB . 51723 6 181 . 1 . 1 41 41 SER N N 15 116.039 . . . . . . . . 116 SER N . 51723 6 182 . 1 . 1 42 42 LEU H H 1 8.268 . . . . . . . . 117 LEU H . 51723 6 183 . 1 . 1 42 42 LEU C C 13 176.789 . . . . . . . . 117 LEU CO . 51723 6 184 . 1 . 1 42 42 LEU CA C 13 53.483 . . . . . . . . 117 LEU CA . 51723 6 185 . 1 . 1 42 42 LEU CB C 13 44.479 . . . . . . . . 117 LEU CB . 51723 6 186 . 1 . 1 42 42 LEU N N 15 127.571 . . . . . . . . 117 LEU N . 51723 6 187 . 1 . 1 43 43 THR H H 1 8.885 . . . . . . . . 118 THR H . 51723 6 188 . 1 . 1 43 43 THR C C 13 172.767 . . . . . . . . 118 THR CO . 51723 6 189 . 1 . 1 43 43 THR CA C 13 59.968 . . . . . . . . 118 THR CA . 51723 6 190 . 1 . 1 43 43 THR CB C 13 72.483 . . . . . . . . 118 THR CB . 51723 6 191 . 1 . 1 43 43 THR N N 15 115.652 . . . . . . . . 118 THR N . 51723 6 192 . 1 . 1 44 44 ALA H H 1 8.804 . . . . . . . . 119 ALA H . 51723 6 193 . 1 . 1 44 44 ALA C C 13 175.317 . . . . . . . . 119 ALA CO . 51723 6 194 . 1 . 1 44 44 ALA CA C 13 51.147 . . . . . . . . 119 ALA CA . 51723 6 195 . 1 . 1 44 44 ALA CB C 13 22.255 . . . . . . . . 119 ALA CB . 51723 6 196 . 1 . 1 44 44 ALA N N 15 121.567 . . . . . . . . 119 ALA N . 51723 6 197 . 1 . 1 45 45 VAL H H 1 8.052 . . . . . . . . 120 VAL H . 51723 6 198 . 1 . 1 45 45 VAL C C 13 175.065 . . . . . . . . 120 VAL CO . 51723 6 199 . 1 . 1 45 45 VAL CA C 13 57.695 . . . . . . . . 120 VAL CA . 51723 6 200 . 1 . 1 45 45 VAL CB C 13 36.422 . . . . . . . . 120 VAL CB . 51723 6 201 . 1 . 1 45 45 VAL N N 15 113.835 . . . . . . . . 120 VAL N . 51723 6 202 . 1 . 1 46 46 SER H H 1 8.993 . . . . . . . . 121 SER H . 51723 6 203 . 1 . 1 46 46 SER C C 13 172.628 . . . . . . . . 121 SER CO . 51723 6 204 . 1 . 1 46 46 SER CA C 13 59.142 . . . . . . . . 121 SER CA . 51723 6 205 . 1 . 1 46 46 SER CB C 13 63.745 . . . . . . . . 121 SER CB . 51723 6 206 . 1 . 1 46 46 SER N N 15 114.442 . . . . . . . . 121 SER N . 51723 6 207 . 1 . 1 47 47 ALA H H 1 9.117 . . . . . . . . 122 ALA H . 51723 6 208 . 1 . 1 47 47 ALA C C 13 175.472 . . . . . . . . 122 ALA CO . 51723 6 209 . 1 . 1 47 47 ALA CA C 13 50.063 . . . . . . . . 122 ALA CA . 51723 6 210 . 1 . 1 47 47 ALA CB C 13 20.776 . . . . . . . . 122 ALA CB . 51723 6 211 . 1 . 1 47 47 ALA N N 15 123.136 . . . . . . . . 122 ALA N . 51723 6 212 . 1 . 1 48 48 ILE H H 1 7.596 . . . . . . . . 123 ILE H . 51723 6 213 . 1 . 1 48 48 ILE C C 13 183.376 . . . . . . . . 123 ILE CO . 51723 6 214 . 1 . 1 48 48 ILE CA C 13 64.648 . . . . . . . . 123 ILE CA . 51723 6 215 . 1 . 1 48 48 ILE CB C 13 38.074 . . . . . . . . 123 ILE CB . 51723 6 216 . 1 . 1 48 48 ILE N N 15 119.298 . . . . . . . . 123 ILE N . 51723 6 217 . 1 . 1 49 49 CYS C C 13 175.328 . . . . . . . . 124 CYS CO . 51723 6 218 . 1 . 1 49 49 CYS CA C 13 54.973 . . . . . . . . 124 CYS CA . 51723 6 219 . 1 . 1 49 49 CYS CB C 13 42.209 . . . . . . . . 124 CYS CB . 51723 6 220 . 1 . 1 50 50 THR H H 1 9.560 . . . . . . . . 125 THR H . 51723 6 221 . 1 . 1 50 50 THR C C 13 176.592 . . . . . . . . 125 THR CO . 51723 6 222 . 1 . 1 50 50 THR CA C 13 61.715 . . . . . . . . 125 THR CA . 51723 6 223 . 1 . 1 50 50 THR CB C 13 71.638 . . . . . . . . 125 THR CB . 51723 6 224 . 1 . 1 50 50 THR N N 15 111.882 . . . . . . . . 125 THR N . 51723 6 225 . 1 . 1 51 51 HIS H H 1 9.247 . . . . . . . . 126 HIS H . 51723 6 226 . 1 . 1 51 51 HIS C C 13 174.134 . . . . . . . . 126 HIS CO . 51723 6 227 . 1 . 1 51 51 HIS CA C 13 59.400 . . . . . . . . 126 HIS CA . 51723 6 228 . 1 . 1 51 51 HIS CB C 13 28.503 . . . . . . . . 126 HIS CB . 51723 6 229 . 1 . 1 51 51 HIS N N 15 119.943 . . . . . . . . 126 HIS N . 51723 6 230 . 1 . 1 54 54 CYS C C 13 171.311 . . . . . . . . 129 CYS CO . 51723 6 231 . 1 . 1 54 54 CYS CA C 13 58.311 . . . . . . . . 129 CYS CA . 51723 6 232 . 1 . 1 55 55 LEU H H 1 8.294 . . . . . . . . 130 LEU H . 51723 6 233 . 1 . 1 55 55 LEU C C 13 177.969 . . . . . . . . 130 LEU CO . 51723 6 234 . 1 . 1 55 55 LEU CA C 13 54.442 . . . . . . . . 130 LEU CA . 51723 6 235 . 1 . 1 55 55 LEU CB C 13 42.317 . . . . . . . . 130 LEU CB . 51723 6 236 . 1 . 1 55 55 LEU N N 15 120.126 . . . . . . . . 130 LEU N . 51723 6 237 . 1 . 1 56 56 VAL H H 1 7.910 . . . . . . . . 131 VAL H . 51723 6 238 . 1 . 1 56 56 VAL C C 13 173.500 . . . . . . . . 131 VAL CO . 51723 6 239 . 1 . 1 56 56 VAL CA C 13 60.210 . . . . . . . . 131 VAL CA . 51723 6 240 . 1 . 1 56 56 VAL CB C 13 31.886 . . . . . . . . 131 VAL CB . 51723 6 241 . 1 . 1 56 56 VAL N N 15 116.279 . . . . . . . . 131 VAL N . 51723 6 242 . 1 . 1 57 57 HIS H H 1 8.139 . . . . . . . . 132 HIS H . 51723 6 243 . 1 . 1 57 57 HIS C C 13 173.232 . . . . . . . . 132 HIS CO . 51723 6 244 . 1 . 1 57 57 HIS CA C 13 54.609 . . . . . . . . 132 HIS CA . 51723 6 245 . 1 . 1 57 57 HIS CB C 13 33.530 . . . . . . . . 132 HIS CB . 51723 6 246 . 1 . 1 57 57 HIS N N 15 111.326 . . . . . . . . 132 HIS N . 51723 6 247 . 1 . 1 58 58 TRP H H 1 8.820 . . . . . . . . 133 TRP H . 51723 6 248 . 1 . 1 58 58 TRP HE1 H 1 10.903 . . . . . . . . 133 TRP HE1 . 51723 6 249 . 1 . 1 58 58 TRP C C 13 174.157 . . . . . . . . 133 TRP CO . 51723 6 250 . 1 . 1 58 58 TRP CA C 13 55.959 . . . . . . . . 133 TRP CA . 51723 6 251 . 1 . 1 58 58 TRP CB C 13 31.201 . . . . . . . . 133 TRP CB . 51723 6 252 . 1 . 1 58 58 TRP N N 15 119.823 . . . . . . . . 133 TRP N . 51723 6 253 . 1 . 1 58 58 TRP NE1 N 15 128.892 . . . . . . . . 133 TRP NE1 . 51723 6 254 . 1 . 1 59 59 ASP H H 1 8.212 . . . . . . . . 134 ASP H . 51723 6 255 . 1 . 1 59 59 ASP C C 13 174.172 . . . . . . . . 134 ASP CO . 51723 6 256 . 1 . 1 59 59 ASP CA C 13 51.602 . . . . . . . . 134 ASP CA . 51723 6 257 . 1 . 1 59 59 ASP CB C 13 41.552 . . . . . . . . 134 ASP CB . 51723 6 258 . 1 . 1 59 59 ASP N N 15 130.804 . . . . . . . . 134 ASP N . 51723 6 259 . 1 . 1 60 60 GLU H H 1 8.051 . . . . . . . . 135 GLU H . 51723 6 260 . 1 . 1 60 60 GLU C C 13 177.682 . . . . . . . . 135 GLU CO . 51723 6 261 . 1 . 1 60 60 GLU CA C 13 58.065 . . . . . . . . 135 GLU CA . 51723 6 262 . 1 . 1 60 60 GLU CB C 13 29.136 . . . . . . . . 135 GLU CB . 51723 6 263 . 1 . 1 60 60 GLU N N 15 125.092 . . . . . . . . 135 GLU N . 51723 6 264 . 1 . 1 61 61 ALA H H 1 7.972 . . . . . . . . 136 ALA H . 51723 6 265 . 1 . 1 61 61 ALA C C 13 179.173 . . . . . . . . 136 ALA CO . 51723 6 266 . 1 . 1 61 61 ALA CA C 13 54.315 . . . . . . . . 136 ALA CA . 51723 6 267 . 1 . 1 61 61 ALA CB C 13 18.347 . . . . . . . . 136 ALA CB . 51723 6 268 . 1 . 1 61 61 ALA N N 15 120.234 . . . . . . . . 136 ALA N . 51723 6 269 . 1 . 1 62 62 ALA H H 1 7.243 . . . . . . . . 137 ALA H . 51723 6 270 . 1 . 1 62 62 ALA C C 13 176.049 . . . . . . . . 137 ALA CO . 51723 6 271 . 1 . 1 62 62 ALA CA C 13 51.037 . . . . . . . . 137 ALA CA . 51723 6 272 . 1 . 1 62 62 ALA CB C 13 20.089 . . . . . . . . 137 ALA CB . 51723 6 273 . 1 . 1 62 62 ALA N N 15 118.252 . . . . . . . . 137 ALA N . 51723 6 274 . 1 . 1 63 63 ASP H H 1 7.744 . . . . . . . . 138 ASP H . 51723 6 275 . 1 . 1 63 63 ASP C C 13 174.745 . . . . . . . . 138 ASP CO . 51723 6 276 . 1 . 1 63 63 ASP CA C 13 54.539 . . . . . . . . 138 ASP CA . 51723 6 277 . 1 . 1 63 63 ASP CB C 13 39.087 . . . . . . . . 138 ASP CB . 51723 6 278 . 1 . 1 63 63 ASP N N 15 120.407 . . . . . . . . 138 ASP N . 51723 6 279 . 1 . 1 64 64 MET H H 1 6.580 . . . . . . . . 139 MET H . 51723 6 280 . 1 . 1 64 64 MET C C 13 173.879 . . . . . . . . 139 MET CO . 51723 6 281 . 1 . 1 64 64 MET CA C 13 55.597 . . . . . . . . 139 MET CA . 51723 6 282 . 1 . 1 64 64 MET CB C 13 35.500 . . . . . . . . 139 MET CB . 51723 6 283 . 1 . 1 64 64 MET N N 15 113.011 . . . . . . . . 139 MET N . 51723 6 284 . 1 . 1 65 65 ILE H H 1 8.904 . . . . . . . . 140 ILE H . 51723 6 285 . 1 . 1 65 65 ILE C C 13 174.349 . . . . . . . . 140 ILE CO . 51723 6 286 . 1 . 1 65 65 ILE CA C 13 61.580 . . . . . . . . 140 ILE CA . 51723 6 287 . 1 . 1 65 65 ILE CB C 13 38.649 . . . . . . . . 140 ILE CB . 51723 6 288 . 1 . 1 65 65 ILE N N 15 121.044 . . . . . . . . 140 ILE N . 51723 6 289 . 1 . 1 66 66 ALA H H 1 8.746 . . . . . . . . 141 ALA H . 51723 6 290 . 1 . 1 66 66 ALA C C 13 180.976 . . . . . . . . 141 ALA CO . 51723 6 291 . 1 . 1 66 66 ALA CA C 13 56.472 . . . . . . . . 141 ALA CA . 51723 6 292 . 1 . 1 66 66 ALA N N 15 132.230 . . . . . . . . 141 ALA N . 51723 6 293 . 1 . 1 76 76 GLN C C 13 174.155 . . . . . . . . 151 GLN CO . 51723 6 294 . 1 . 1 76 76 GLN CA C 13 59.386 . . . . . . . . 151 GLN CA . 51723 6 295 . 1 . 1 76 76 GLN CB C 13 28.500 . . . . . . . . 151 GLN CB . 51723 6 296 . 1 . 1 77 77 ASP H H 1 7.834 . . . . . . . . 152 ASP H . 51723 6 297 . 1 . 1 77 77 ASP C C 13 176.167 . . . . . . . . 152 ASP CO . 51723 6 298 . 1 . 1 77 77 ASP CA C 13 52.425 . . . . . . . . 152 ASP CA . 51723 6 299 . 1 . 1 77 77 ASP CB C 13 39.474 . . . . . . . . 152 ASP CB . 51723 6 300 . 1 . 1 77 77 ASP N N 15 108.678 . . . . . . . . 152 ASP N . 51723 6 301 . 1 . 1 78 78 GLY H H 1 8.419 . . . . . . . . 153 GLY H . 51723 6 302 . 1 . 1 78 78 GLY C C 13 173.143 . . . . . . . . 153 GLY CO . 51723 6 303 . 1 . 1 78 78 GLY CA C 13 47.307 . . . . . . . . 153 GLY CA . 51723 6 304 . 1 . 1 78 78 GLY N N 15 108.238 . . . . . . . . 153 GLY N . 51723 6 305 . 1 . 1 79 79 LYS H H 1 7.983 . . . . . . . . 154 LYS H . 51723 6 306 . 1 . 1 79 79 LYS C C 13 177.644 . . . . . . . . 154 LYS CO . 51723 6 307 . 1 . 1 79 79 LYS CA C 13 56.523 . . . . . . . . 154 LYS CA . 51723 6 308 . 1 . 1 79 79 LYS CB C 13 31.784 . . . . . . . . 154 LYS CB . 51723 6 309 . 1 . 1 79 79 LYS N N 15 118.463 . . . . . . . . 154 LYS N . 51723 6 310 . 1 . 1 80 80 ILE H H 1 8.698 . . . . . . . . 155 ILE H . 51723 6 311 . 1 . 1 80 80 ILE C C 13 177.490 . . . . . . . . 155 ILE CO . 51723 6 312 . 1 . 1 80 80 ILE CA C 13 65.296 . . . . . . . . 155 ILE CA . 51723 6 313 . 1 . 1 80 80 ILE CB C 13 39.432 . . . . . . . . 155 ILE CB . 51723 6 314 . 1 . 1 80 80 ILE N N 15 120.811 . . . . . . . . 155 ILE N . 51723 6 315 . 1 . 1 81 81 ILE H H 1 8.517 . . . . . . . . 156 ILE H . 51723 6 316 . 1 . 1 81 81 ILE C C 13 175.691 . . . . . . . . 156 ILE CO . 51723 6 317 . 1 . 1 81 81 ILE CA C 13 64.018 . . . . . . . . 156 ILE CA . 51723 6 318 . 1 . 1 81 81 ILE CB C 13 39.222 . . . . . . . . 156 ILE CB . 51723 6 319 . 1 . 1 81 81 ILE N N 15 128.362 . . . . . . . . 156 ILE N . 51723 6 320 . 1 . 1 82 82 SER H H 1 7.718 . . . . . . . . 157 SER H . 51723 6 321 . 1 . 1 82 82 SER C C 13 171.328 . . . . . . . . 157 SER CO . 51723 6 322 . 1 . 1 82 82 SER CA C 13 57.452 . . . . . . . . 157 SER CA . 51723 6 323 . 1 . 1 82 82 SER CB C 13 64.228 . . . . . . . . 157 SER CB . 51723 6 324 . 1 . 1 82 82 SER N N 15 110.431 . . . . . . . . 157 SER N . 51723 6 325 . 1 . 1 83 83 GLY H H 1 8.421 . . . . . . . . 158 GLY H . 51723 6 326 . 1 . 1 83 83 GLY CA C 13 44.657 . . . . . . . . 158 GLY CA . 51723 6 327 . 1 . 1 83 83 GLY N N 15 107.967 . . . . . . . . 158 GLY N . 51723 6 328 . 1 . 1 87 87 LEU H H 1 6.848 . . . . . . . . 162 LEU H . 51723 6 329 . 1 . 1 87 87 LEU N N 15 118.679 . . . . . . . . 162 LEU N . 51723 6 330 . 1 . 1 88 88 PRO C C 13 175.631 . . . . . . . . 163 PRO CO . 51723 6 331 . 1 . 1 88 88 PRO CA C 13 62.489 . . . . . . . . 163 PRO CA . 51723 6 332 . 1 . 1 88 88 PRO CB C 13 33.827 . . . . . . . . 163 PRO CB . 51723 6 333 . 1 . 1 89 89 LEU H H 1 8.897 . . . . . . . . 164 LEU H . 51723 6 334 . 1 . 1 89 89 LEU C C 13 177.617 . . . . . . . . 164 LEU CO . 51723 6 335 . 1 . 1 89 89 LEU CA C 13 54.552 . . . . . . . . 164 LEU CA . 51723 6 336 . 1 . 1 89 89 LEU CB C 13 40.846 . . . . . . . . 164 LEU CB . 51723 6 337 . 1 . 1 89 89 LEU N N 15 120.694 . . . . . . . . 164 LEU N . 51723 6 338 . 1 . 1 90 90 LYS H H 1 8.577 . . . . . . . . 165 LYS H . 51723 6 339 . 1 . 1 90 90 LYS C C 13 175.501 . . . . . . . . 165 LYS CO . 51723 6 340 . 1 . 1 90 90 LYS CA C 13 57.172 . . . . . . . . 165 LYS CA . 51723 6 341 . 1 . 1 90 90 LYS CB C 13 33.563 . . . . . . . . 165 LYS CB . 51723 6 342 . 1 . 1 90 90 LYS N N 15 124.420 . . . . . . . . 165 LYS N . 51723 6 343 . 1 . 1 91 91 GLN H H 1 8.338 . . . . . . . . 166 GLN H . 51723 6 344 . 1 . 1 91 91 GLN C C 13 175.876 . . . . . . . . 166 GLN CO . 51723 6 345 . 1 . 1 91 91 GLN CA C 13 56.491 . . . . . . . . 166 GLN CA . 51723 6 346 . 1 . 1 91 91 GLN CB C 13 30.428 . . . . . . . . 166 GLN CB . 51723 6 347 . 1 . 1 91 91 GLN N N 15 122.628 . . . . . . . . 166 GLN N . 51723 6 348 . 1 . 1 92 92 TYR H H 1 8.677 . . . . . . . . 167 TYR H . 51723 6 349 . 1 . 1 92 92 TYR C C 13 174.695 . . . . . . . . 167 TYR CO . 51723 6 350 . 1 . 1 92 92 TYR CA C 13 57.475 . . . . . . . . 167 TYR CA . 51723 6 351 . 1 . 1 92 92 TYR CB C 13 40.694 . . . . . . . . 167 TYR CB . 51723 6 352 . 1 . 1 92 92 TYR N N 15 123.326 . . . . . . . . 167 TYR N . 51723 6 353 . 1 . 1 93 93 LYS H H 1 8.713 . . . . . . . . 168 LYS H . 51723 6 354 . 1 . 1 93 93 LYS C C 13 174.991 . . . . . . . . 168 LYS CO . 51723 6 355 . 1 . 1 93 93 LYS CA C 13 55.238 . . . . . . . . 168 LYS CA . 51723 6 356 . 1 . 1 93 93 LYS CB C 13 33.349 . . . . . . . . 168 LYS CB . 51723 6 357 . 1 . 1 93 93 LYS N N 15 121.309 . . . . . . . . 168 LYS N . 51723 6 358 . 1 . 1 94 94 VAL H H 1 8.378 . . . . . . . . 169 VAL H . 51723 6 359 . 1 . 1 94 94 VAL C C 13 172.271 . . . . . . . . 169 VAL CO . 51723 6 360 . 1 . 1 94 94 VAL CA C 13 59.166 . . . . . . . . 169 VAL CA . 51723 6 361 . 1 . 1 94 94 VAL CB C 13 34.035 . . . . . . . . 169 VAL CB . 51723 6 362 . 1 . 1 94 94 VAL N N 15 119.476 . . . . . . . . 169 VAL N . 51723 6 363 . 1 . 1 95 95 LYS H H 1 8.408 . . . . . . . . 170 LYS H . 51723 6 364 . 1 . 1 95 95 LYS C C 13 173.118 . . . . . . . . 170 LYS CO . 51723 6 365 . 1 . 1 95 95 LYS CA C 13 54.328 . . . . . . . . 170 LYS CA . 51723 6 366 . 1 . 1 95 95 LYS CB C 13 35.775 . . . . . . . . 170 LYS CB . 51723 6 367 . 1 . 1 95 95 LYS N N 15 124.466 . . . . . . . . 170 LYS N . 51723 6 368 . 1 . 1 96 96 ILE H H 1 8.382 . . . . . . . . 171 ILE H . 51723 6 369 . 1 . 1 96 96 ILE C C 13 176.488 . . . . . . . . 171 ILE CO . 51723 6 370 . 1 . 1 96 96 ILE CA C 13 59.083 . . . . . . . . 171 ILE CA . 51723 6 371 . 1 . 1 96 96 ILE CB C 13 37.507 . . . . . . . . 171 ILE CB . 51723 6 372 . 1 . 1 96 96 ILE N N 15 119.905 . . . . . . . . 171 ILE N . 51723 6 373 . 1 . 1 97 97 GLU H H 1 9.077 . . . . . . . . 172 GLU H . 51723 6 374 . 1 . 1 97 97 GLU C C 13 175.866 . . . . . . . . 172 GLU CO . 51723 6 375 . 1 . 1 97 97 GLU CA C 13 55.375 . . . . . . . . 172 GLU CA . 51723 6 376 . 1 . 1 97 97 GLU CB C 13 33.470 . . . . . . . . 172 GLU CB . 51723 6 377 . 1 . 1 97 97 GLU N N 15 128.550 . . . . . . . . 172 GLU N . 51723 6 378 . 1 . 1 98 98 ASP C C 13 175.880 . . . . . . . . 173 ASP CO . 51723 6 379 . 1 . 1 98 98 ASP CA C 13 55.219 . . . . . . . . 173 ASP CA . 51723 6 380 . 1 . 1 98 98 ASP CB C 13 40.018 . . . . . . . . 173 ASP CB . 51723 6 381 . 1 . 1 99 99 GLY H H 1 8.433 . . . . . . . . 174 GLY H . 51723 6 382 . 1 . 1 99 99 GLY C C 13 174.325 . . . . . . . . 174 GLY CO . 51723 6 383 . 1 . 1 99 99 GLY CA C 13 45.712 . . . . . . . . 174 GLY CA . 51723 6 384 . 1 . 1 99 99 GLY N N 15 101.636 . . . . . . . . 174 GLY N . 51723 6 385 . 1 . 1 100 100 LYS H H 1 8.001 . . . . . . . . 175 LYS H . 51723 6 386 . 1 . 1 100 100 LYS C C 13 174.263 . . . . . . . . 175 LYS CO . 51723 6 387 . 1 . 1 100 100 LYS CA C 13 54.473 . . . . . . . . 175 LYS CA . 51723 6 388 . 1 . 1 100 100 LYS CB C 13 34.784 . . . . . . . . 175 LYS CB . 51723 6 389 . 1 . 1 100 100 LYS N N 15 121.290 . . . . . . . . 175 LYS N . 51723 6 390 . 1 . 1 101 101 ILE H H 1 8.773 . . . . . . . . 176 ILE H . 51723 6 391 . 1 . 1 101 101 ILE C C 13 174.681 . . . . . . . . 176 ILE CO . 51723 6 392 . 1 . 1 101 101 ILE CA C 13 61.625 . . . . . . . . 176 ILE CA . 51723 6 393 . 1 . 1 101 101 ILE CB C 13 37.743 . . . . . . . . 176 ILE CB . 51723 6 394 . 1 . 1 101 101 ILE N N 15 121.095 . . . . . . . . 176 ILE N . 51723 6 395 . 1 . 1 102 102 VAL H H 1 9.056 . . . . . . . . 177 VAL H . 51723 6 396 . 1 . 1 102 102 VAL C C 13 176.186 . . . . . . . . 177 VAL CO . 51723 6 397 . 1 . 1 102 102 VAL CA C 13 61.352 . . . . . . . . 177 VAL CA . 51723 6 398 . 1 . 1 102 102 VAL CB C 13 32.935 . . . . . . . . 177 VAL CB . 51723 6 399 . 1 . 1 102 102 VAL N N 15 129.061 . . . . . . . . 177 VAL N . 51723 6 400 . 1 . 1 103 103 VAL H H 1 8.542 . . . . . . . . 178 VAL H . 51723 6 401 . 1 . 1 103 103 VAL C C 13 173.944 . . . . . . . . 178 VAL CO . 51723 6 402 . 1 . 1 103 103 VAL CA C 13 60.194 . . . . . . . . 178 VAL CA . 51723 6 403 . 1 . 1 103 103 VAL CB C 13 33.475 . . . . . . . . 178 VAL CB . 51723 6 404 . 1 . 1 103 103 VAL N N 15 130.094 . . . . . . . . 178 VAL N . 51723 6 405 . 1 . 1 104 104 SER H H 1 9.067 . . . . . . . . 179 SER H . 51723 6 406 . 1 . 1 104 104 SER C C 13 173.646 . . . . . . . . 179 SER CO . 51723 6 407 . 1 . 1 104 104 SER CA C 13 56.767 . . . . . . . . 179 SER CA . 51723 6 408 . 1 . 1 104 104 SER CB C 13 66.391 . . . . . . . . 179 SER CB . 51723 6 409 . 1 . 1 104 104 SER N N 15 117.858 . . . . . . . . 179 SER N . 51723 6 410 . 1 . 1 105 105 ILE H H 1 8.183 . . . . . . . . 180 ILE H . 51723 6 411 . 1 . 1 105 105 ILE C C 13 176.001 . . . . . . . . 180 ILE CO . 51723 6 412 . 1 . 1 105 105 ILE CA C 13 61.730 . . . . . . . . 180 ILE CA . 51723 6 413 . 1 . 1 105 105 ILE CB C 13 39.344 . . . . . . . . 180 ILE CB . 51723 6 414 . 1 . 1 105 105 ILE N N 15 119.078 . . . . . . . . 180 ILE N . 51723 6 415 . 1 . 1 106 106 ALA H H 1 8.611 . . . . . . . . 181 ALA H . 51723 6 416 . 1 . 1 106 106 ALA C C 13 176.990 . . . . . . . . 181 ALA CO . 51723 6 417 . 1 . 1 106 106 ALA CA C 13 52.119 . . . . . . . . 181 ALA CA . 51723 6 418 . 1 . 1 106 106 ALA CB C 13 19.579 . . . . . . . . 181 ALA CB . 51723 6 419 . 1 . 1 106 106 ALA N N 15 128.927 . . . . . . . . 181 ALA N . 51723 6 420 . 1 . 1 107 107 LYS C C 13 176.133 . . . . . . . . 182 LYS CO . 51723 6 421 . 1 . 1 107 107 LYS CA C 13 56.154 . . . . . . . . 182 LYS CA . 51723 6 422 . 1 . 1 107 107 LYS CB C 13 33.276 . . . . . . . . 182 LYS CB . 51723 6 423 . 1 . 1 108 108 LEU H H 1 8.322 . . . . . . . . 183 LEU H . 51723 6 424 . 1 . 1 108 108 LEU C C 13 177.025 . . . . . . . . 183 LEU CO . 51723 6 425 . 1 . 1 108 108 LEU CA C 13 55.023 . . . . . . . . 183 LEU CA . 51723 6 426 . 1 . 1 108 108 LEU CB C 13 42.555 . . . . . . . . 183 LEU CB . 51723 6 427 . 1 . 1 108 108 LEU N N 15 124.508 . . . . . . . . 183 LEU N . 51723 6 428 . 1 . 1 109 109 ALA H H 1 8.336 . . . . . . . . 184 ALA H . 51723 6 429 . 1 . 1 109 109 ALA C C 13 177.376 . . . . . . . . 184 ALA CO . 51723 6 430 . 1 . 1 109 109 ALA CA C 13 52.558 . . . . . . . . 184 ALA CA . 51723 6 431 . 1 . 1 109 109 ALA CB C 13 19.301 . . . . . . . . 184 ALA CB . 51723 6 432 . 1 . 1 109 109 ALA N N 15 125.503 . . . . . . . . 184 ALA N . 51723 6 433 . 1 . 1 110 110 ALA C C 13 177.537 . . . . . . . . 185 ALA CO . 51723 6 434 . 1 . 1 110 110 ALA CA C 13 52.603 . . . . . . . . 185 ALA CA . 51723 6 435 . 1 . 1 110 110 ALA CB C 13 19.362 . . . . . . . . 185 ALA CB . 51723 6 436 . 1 . 1 111 111 ALA H H 1 8.209 . . . . . . . . 186 ALA H . 51723 6 437 . 1 . 1 111 111 ALA C C 13 177.716 . . . . . . . . 186 ALA CO . 51723 6 438 . 1 . 1 111 111 ALA CA C 13 52.544 . . . . . . . . 186 ALA CA . 51723 6 439 . 1 . 1 111 111 ALA CB C 13 19.252 . . . . . . . . 186 ALA CB . 51723 6 440 . 1 . 1 111 111 ALA N N 15 122.966 . . . . . . . . 186 ALA N . 51723 6 441 . 1 . 1 112 112 LEU H H 1 8.124 . . . . . . . . 187 LEU H . 51723 6 442 . 1 . 1 112 112 LEU C C 13 177.420 . . . . . . . . 187 LEU CO . 51723 6 443 . 1 . 1 112 112 LEU CA C 13 55.192 . . . . . . . . 187 LEU CA . 51723 6 444 . 1 . 1 112 112 LEU CB C 13 42.365 . . . . . . . . 187 LEU CB . 51723 6 445 . 1 . 1 112 112 LEU N N 15 120.899 . . . . . . . . 187 LEU N . 51723 6 446 . 1 . 1 113 113 GLU H H 1 8.275 . . . . . . . . 188 GLU H . 51723 6 447 . 1 . 1 113 113 GLU C C 13 176.168 . . . . . . . . 188 GLU CO . 51723 6 448 . 1 . 1 113 113 GLU CA C 13 56.559 . . . . . . . . 188 GLU CA . 51723 6 449 . 1 . 1 113 113 GLU CB C 13 30.424 . . . . . . . . 188 GLU CB . 51723 6 450 . 1 . 1 113 113 GLU N N 15 121.137 . . . . . . . . 188 GLU N . 51723 6 stop_ save_ save_assigned_chemical_shifts_7 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_7 _Assigned_chem_shift_list.Entry_ID 51723 _Assigned_chem_shift_list.ID 7 _Assigned_chem_shift_list.Name assigned_chem_shift_list_7 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 7 '3D HN(CA)CO' . . . 51723 7 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51723 7 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 LYS CA C 13 56.120 . . . . . . . . 78 LYS CA . 51723 7 2 . 1 . 1 3 3 LYS CB C 13 33.083 . . . . . . . . 78 LYS CB . 51723 7 3 . 1 . 1 4 4 ILE H H 1 8.206 . . . . . . . . 79 ILE H . 51723 7 4 . 1 . 1 4 4 ILE C C 13 175.632 . . . . . . . . 79 ILE CO . 51723 7 5 . 1 . 1 4 4 ILE CA C 13 60.721 . . . . . . . . 79 ILE CA . 51723 7 6 . 1 . 1 4 4 ILE CB C 13 39.069 . . . . . . . . 79 ILE CB . 51723 7 7 . 1 . 1 4 4 ILE N N 15 123.064 . . . . . . . . 79 ILE N . 51723 7 8 . 1 . 1 5 5 LYS H H 1 8.368 . . . . . . . . 80 LYS H . 51723 7 9 . 1 . 1 5 5 LYS C C 13 175.583 . . . . . . . . 80 LYS CO . 51723 7 10 . 1 . 1 5 5 LYS CA C 13 56.076 . . . . . . . . 80 LYS CA . 51723 7 11 . 1 . 1 5 5 LYS CB C 13 33.184 . . . . . . . . 80 LYS CB . 51723 7 12 . 1 . 1 5 5 LYS N N 15 126.634 . . . . . . . . 80 LYS N . 51723 7 13 . 1 . 1 6 6 ILE H H 1 8.192 . . . . . . . . 81 ILE H . 51723 7 14 . 1 . 1 6 6 ILE C C 13 176.138 . . . . . . . . 81 ILE CO . 51723 7 15 . 1 . 1 6 6 ILE CA C 13 60.356 . . . . . . . . 81 ILE CA . 51723 7 16 . 1 . 1 6 6 ILE CB C 13 38.674 . . . . . . . . 81 ILE CB . 51723 7 17 . 1 . 1 6 6 ILE N N 15 124.620 . . . . . . . . 81 ILE N . 51723 7 18 . 1 . 1 7 7 VAL H H 1 8.619 . . . . . . . . 82 VAL H . 51723 7 19 . 1 . 1 7 7 VAL C C 13 175.402 . . . . . . . . 82 VAL CO . 51723 7 20 . 1 . 1 7 7 VAL CA C 13 60.516 . . . . . . . . 82 VAL CA . 51723 7 21 . 1 . 1 7 7 VAL CB C 13 33.603 . . . . . . . . 82 VAL CB . 51723 7 22 . 1 . 1 7 7 VAL N N 15 123.812 . . . . . . . . 82 VAL N . 51723 7 23 . 1 . 1 8 8 ASN C C 13 174.406 . . . . . . . . 83 ASN CO . 51723 7 24 . 1 . 1 8 8 ASN CA C 13 54.389 . . . . . . . . 83 ASN CA . 51723 7 25 . 1 . 1 8 8 ASN CB C 13 39.749 . . . . . . . . 83 ASN CB . 51723 7 26 . 1 . 1 9 9 GLU H H 1 7.534 . . . . . . . . 84 GLU H . 51723 7 27 . 1 . 1 9 9 GLU C C 13 173.936 . . . . . . . . 84 GLU CO . 51723 7 28 . 1 . 1 9 9 GLU CA C 13 54.741 . . . . . . . . 84 GLU CA . 51723 7 29 . 1 . 1 9 9 GLU CB C 13 32.911 . . . . . . . . 84 GLU CB . 51723 7 30 . 1 . 1 9 9 GLU N N 15 116.617 . . . . . . . . 84 GLU N . 51723 7 31 . 1 . 1 10 10 LEU H H 1 9.062 . . . . . . . . 85 LEU H . 51723 7 32 . 1 . 1 10 10 LEU C C 13 174.250 . . . . . . . . 85 LEU CO . 51723 7 33 . 1 . 1 10 10 LEU CA C 13 54.616 . . . . . . . . 85 LEU CA . 51723 7 34 . 1 . 1 10 10 LEU CB C 13 47.586 . . . . . . . . 85 LEU CB . 51723 7 35 . 1 . 1 10 10 LEU N N 15 123.999 . . . . . . . . 85 LEU N . 51723 7 36 . 1 . 1 11 11 ALA H H 1 8.650 . . . . . . . . 86 ALA H . 51723 7 37 . 1 . 1 11 11 ALA C C 13 177.709 . . . . . . . . 86 ALA CO . 51723 7 38 . 1 . 1 11 11 ALA CA C 13 50.574 . . . . . . . . 86 ALA CA . 51723 7 39 . 1 . 1 11 11 ALA CB C 13 17.395 . . . . . . . . 86 ALA CB . 51723 7 40 . 1 . 1 11 11 ALA N N 15 128.998 . . . . . . . . 86 ALA N . 51723 7 41 . 1 . 1 12 12 VAL H H 1 8.377 . . . . . . . . 87 VAL H . 51723 7 42 . 1 . 1 12 12 VAL C C 13 175.519 . . . . . . . . 87 VAL CO . 51723 7 43 . 1 . 1 12 12 VAL CA C 13 62.225 . . . . . . . . 87 VAL CA . 51723 7 44 . 1 . 1 12 12 VAL CB C 13 31.762 . . . . . . . . 87 VAL CB . 51723 7 45 . 1 . 1 12 12 VAL N N 15 118.553 . . . . . . . . 87 VAL N . 51723 7 46 . 1 . 1 13 13 GLY H H 1 7.000 . . . . . . . . 88 GLY H . 51723 7 47 . 1 . 1 13 13 GLY C C 13 168.957 . . . . . . . . 88 GLY CO . 51723 7 48 . 1 . 1 13 13 GLY CA C 13 45.032 . . . . . . . . 88 GLY CA . 51723 7 49 . 1 . 1 13 13 GLY N N 15 106.003 . . . . . . . . 88 GLY N . 51723 7 50 . 1 . 1 14 14 PRO C C 13 177.153 . . . . . . . . 89 PRO CO . 51723 7 51 . 1 . 1 14 14 PRO CA C 13 62.251 . . . . . . . . 89 PRO CA . 51723 7 52 . 1 . 1 14 14 PRO CB C 13 32.312 . . . . . . . . 89 PRO CB . 51723 7 53 . 1 . 1 15 15 ALA H H 1 8.491 . . . . . . . . 90 ALA H . 51723 7 54 . 1 . 1 15 15 ALA C C 13 179.053 . . . . . . . . 90 ALA CO . 51723 7 55 . 1 . 1 15 15 ALA CA C 13 54.928 . . . . . . . . 90 ALA CA . 51723 7 56 . 1 . 1 15 15 ALA CB C 13 17.922 . . . . . . . . 90 ALA CB . 51723 7 57 . 1 . 1 15 15 ALA N N 15 123.397 . . . . . . . . 90 ALA N . 51723 7 58 . 1 . 1 16 16 SER H H 1 8.014 . . . . . . . . 91 SER H . 51723 7 59 . 1 . 1 16 16 SER CA C 13 59.460 . . . . . . . . 91 SER CA . 51723 7 60 . 1 . 1 16 16 SER CB C 13 62.528 . . . . . . . . 91 SER CB . 51723 7 61 . 1 . 1 16 16 SER N N 15 110.466 . . . . . . . . 91 SER N . 51723 7 62 . 1 . 1 17 17 ASP H H 1 7.957 . . . . . . . . 92 ASP H . 51723 7 63 . 1 . 1 17 17 ASP C C 13 176.702 . . . . . . . . 92 ASP CO . 51723 7 64 . 1 . 1 17 17 ASP CA C 13 56.156 . . . . . . . . 92 ASP CA . 51723 7 65 . 1 . 1 17 17 ASP CB C 13 41.725 . . . . . . . . 92 ASP CB . 51723 7 66 . 1 . 1 17 17 ASP N N 15 121.497 . . . . . . . . 92 ASP N . 51723 7 67 . 1 . 1 18 18 VAL H H 1 6.979 . . . . . . . . 93 VAL H . 51723 7 68 . 1 . 1 18 18 VAL C C 13 172.057 . . . . . . . . 93 VAL CO . 51723 7 69 . 1 . 1 18 18 VAL CA C 13 58.912 . . . . . . . . 93 VAL CA . 51723 7 70 . 1 . 1 18 18 VAL CB C 13 31.745 . . . . . . . . 93 VAL CB . 51723 7 71 . 1 . 1 18 18 VAL N N 15 114.029 . . . . . . . . 93 VAL N . 51723 7 72 . 1 . 1 19 19 PRO C C 13 176.089 . . . . . . . . 94 PRO CO . 51723 7 73 . 1 . 1 19 19 PRO CA C 13 62.205 . . . . . . . . 94 PRO CA . 51723 7 74 . 1 . 1 19 19 PRO CB C 13 32.919 . . . . . . . . 94 PRO CB . 51723 7 75 . 1 . 1 20 20 ASN H H 1 8.553 . . . . . . . . 95 ASN H . 51723 7 76 . 1 . 1 20 20 ASN C C 13 175.915 . . . . . . . . 95 ASN CO . 51723 7 77 . 1 . 1 20 20 ASN CA C 13 55.877 . . . . . . . . 95 ASN CA . 51723 7 78 . 1 . 1 20 20 ASN CB C 13 39.090 . . . . . . . . 95 ASN CB . 51723 7 79 . 1 . 1 20 20 ASN N N 15 117.559 . . . . . . . . 95 ASN N . 51723 7 80 . 1 . 1 21 21 GLY H H 1 9.189 . . . . . . . . 96 GLY H . 51723 7 81 . 1 . 1 21 21 GLY C C 13 174.135 . . . . . . . . 96 GLY CO . 51723 7 82 . 1 . 1 21 21 GLY CA C 13 45.294 . . . . . . . . 96 GLY CA . 51723 7 83 . 1 . 1 21 21 GLY N N 15 114.813 . . . . . . . . 96 GLY N . 51723 7 84 . 1 . 1 22 22 THR H H 1 7.797 . . . . . . . . 97 THR H . 51723 7 85 . 1 . 1 22 22 THR C C 13 171.199 . . . . . . . . 97 THR CO . 51723 7 86 . 1 . 1 22 22 THR CA C 13 60.828 . . . . . . . . 97 THR CA . 51723 7 87 . 1 . 1 22 22 THR CB C 13 73.077 . . . . . . . . 97 THR CB . 51723 7 88 . 1 . 1 22 22 THR N N 15 110.861 . . . . . . . . 97 THR N . 51723 7 89 . 1 . 1 23 23 GLY H H 1 8.392 . . . . . . . . 98 GLY H . 51723 7 90 . 1 . 1 23 23 GLY C C 13 173.229 . . . . . . . . 98 GLY CO . 51723 7 91 . 1 . 1 23 23 GLY CA C 13 45.083 . . . . . . . . 98 GLY CA . 51723 7 92 . 1 . 1 23 23 GLY N N 15 104.334 . . . . . . . . 98 GLY N . 51723 7 93 . 1 . 1 24 24 LYS H H 1 8.902 . . . . . . . . 99 LYS H . 51723 7 94 . 1 . 1 24 24 LYS C C 13 173.315 . . . . . . . . 99 LYS CO . 51723 7 95 . 1 . 1 24 24 LYS CA C 13 55.492 . . . . . . . . 99 LYS CA . 51723 7 96 . 1 . 1 24 24 LYS CB C 13 37.650 . . . . . . . . 99 LYS CB . 51723 7 97 . 1 . 1 24 24 LYS N N 15 125.106 . . . . . . . . 99 LYS N . 51723 7 98 . 1 . 1 25 25 ILE H H 1 7.978 . . . . . . . . 100 ILE H . 51723 7 99 . 1 . 1 25 25 ILE C C 13 175.625 . . . . . . . . 100 ILE CO . 51723 7 100 . 1 . 1 25 25 ILE CA C 13 60.281 . . . . . . . . 100 ILE CA . 51723 7 101 . 1 . 1 25 25 ILE CB C 13 38.544 . . . . . . . . 100 ILE CB . 51723 7 102 . 1 . 1 25 25 ILE N N 15 124.261 . . . . . . . . 100 ILE N . 51723 7 103 . 1 . 1 26 26 TYR H H 1 9.330 . . . . . . . . 101 TYR H . 51723 7 104 . 1 . 1 26 26 TYR C C 13 174.792 . . . . . . . . 101 TYR CO . 51723 7 105 . 1 . 1 26 26 TYR CA C 13 56.709 . . . . . . . . 101 TYR CA . 51723 7 106 . 1 . 1 26 26 TYR CB C 13 42.798 . . . . . . . . 101 TYR CB . 51723 7 107 . 1 . 1 26 26 TYR N N 15 125.314 . . . . . . . . 101 TYR N . 51723 7 108 . 1 . 1 27 27 GLN H H 1 8.842 . . . . . . . . 102 GLN H . 51723 7 109 . 1 . 1 27 27 GLN C C 13 174.988 . . . . . . . . 102 GLN CO . 51723 7 110 . 1 . 1 27 27 GLN CA C 13 56.319 . . . . . . . . 102 GLN CA . 51723 7 111 . 1 . 1 27 27 GLN CB C 13 29.261 . . . . . . . . 102 GLN CB . 51723 7 112 . 1 . 1 27 27 GLN N N 15 122.647 . . . . . . . . 102 GLN N . 51723 7 113 . 1 . 1 28 28 PHE H H 1 8.436 . . . . . . . . 103 PHE H . 51723 7 114 . 1 . 1 28 28 PHE C C 13 173.895 . . . . . . . . 103 PHE CO . 51723 7 115 . 1 . 1 28 28 PHE CA C 13 57.173 . . . . . . . . 103 PHE CA . 51723 7 116 . 1 . 1 28 28 PHE CB C 13 40.980 . . . . . . . . 103 PHE CB . 51723 7 117 . 1 . 1 28 28 PHE N N 15 126.343 . . . . . . . . 103 PHE N . 51723 7 118 . 1 . 1 29 29 ASN H H 1 8.858 . . . . . . . . 104 ASN H . 51723 7 119 . 1 . 1 29 29 ASN C C 13 174.749 . . . . . . . . 104 ASN CO . 51723 7 120 . 1 . 1 29 29 ASN CA C 13 55.212 . . . . . . . . 104 ASN CA . 51723 7 121 . 1 . 1 29 29 ASN CB C 13 36.889 . . . . . . . . 104 ASN CB . 51723 7 122 . 1 . 1 29 29 ASN N N 15 123.985 . . . . . . . . 104 ASN N . 51723 7 123 . 1 . 1 30 30 ASP H H 1 8.603 . . . . . . . . 105 ASP H . 51723 7 124 . 1 . 1 30 30 ASP C C 13 174.477 . . . . . . . . 105 ASP CO . 51723 7 125 . 1 . 1 30 30 ASP CA C 13 54.438 . . . . . . . . 105 ASP CA . 51723 7 126 . 1 . 1 30 30 ASP CB C 13 40.389 . . . . . . . . 105 ASP CB . 51723 7 127 . 1 . 1 30 30 ASP N N 15 122.099 . . . . . . . . 105 ASP N . 51723 7 128 . 1 . 1 31 31 ASP H H 1 8.375 . . . . . . . . 106 ASP H . 51723 7 129 . 1 . 1 31 31 ASP C C 13 175.335 . . . . . . . . 106 ASP CO . 51723 7 130 . 1 . 1 31 31 ASP CA C 13 51.677 . . . . . . . . 106 ASP CA . 51723 7 131 . 1 . 1 31 31 ASP CB C 13 43.659 . . . . . . . . 106 ASP CB . 51723 7 132 . 1 . 1 31 31 ASP N N 15 122.153 . . . . . . . . 106 ASP N . 51723 7 133 . 1 . 1 32 32 LYS H H 1 8.671 . . . . . . . . 107 LYS H . 51723 7 134 . 1 . 1 32 32 LYS C C 13 175.013 . . . . . . . . 107 LYS CO . 51723 7 135 . 1 . 1 32 32 LYS CA C 13 54.931 . . . . . . . . 107 LYS CA . 51723 7 136 . 1 . 1 32 32 LYS CB C 13 35.587 . . . . . . . . 107 LYS CB . 51723 7 137 . 1 . 1 32 32 LYS N N 15 120.521 . . . . . . . . 107 LYS N . 51723 7 138 . 1 . 1 33 33 VAL H H 1 9.392 . . . . . . . . 108 VAL H . 51723 7 139 . 1 . 1 33 33 VAL C C 13 173.971 . . . . . . . . 108 VAL CO . 51723 7 140 . 1 . 1 33 33 VAL CA C 13 59.644 . . . . . . . . 108 VAL CA . 51723 7 141 . 1 . 1 33 33 VAL CB C 13 35.007 . . . . . . . . 108 VAL CB . 51723 7 142 . 1 . 1 33 33 VAL N N 15 120.174 . . . . . . . . 108 VAL N . 51723 7 143 . 1 . 1 34 34 ILE H H 1 9.698 . . . . . . . . 109 ILE H . 51723 7 144 . 1 . 1 34 34 ILE C C 13 173.601 . . . . . . . . 109 ILE CO . 51723 7 145 . 1 . 1 34 34 ILE CA C 13 58.100 . . . . . . . . 109 ILE CA . 51723 7 146 . 1 . 1 34 34 ILE CB C 13 41.213 . . . . . . . . 109 ILE CB . 51723 7 147 . 1 . 1 34 34 ILE N N 15 124.398 . . . . . . . . 109 ILE N . 51723 7 148 . 1 . 1 35 35 VAL H H 1 8.893 . . . . . . . . 110 VAL H . 51723 7 149 . 1 . 1 35 35 VAL C C 13 174.975 . . . . . . . . 110 VAL CO . 51723 7 150 . 1 . 1 35 35 VAL CA C 13 60.008 . . . . . . . . 110 VAL CA . 51723 7 151 . 1 . 1 35 35 VAL CB C 13 33.049 . . . . . . . . 110 VAL CB . 51723 7 152 . 1 . 1 35 35 VAL N N 15 131.025 . . . . . . . . 110 VAL N . 51723 7 153 . 1 . 1 36 36 VAL H H 1 8.520 . . . . . . . . 111 VAL H . 51723 7 154 . 1 . 1 36 36 VAL C C 13 173.738 . . . . . . . . 111 VAL CO . 51723 7 155 . 1 . 1 36 36 VAL CA C 13 60.630 . . . . . . . . 111 VAL CA . 51723 7 156 . 1 . 1 36 36 VAL CB C 13 34.079 . . . . . . . . 111 VAL CB . 51723 7 157 . 1 . 1 36 36 VAL N N 15 125.566 . . . . . . . . 111 VAL N . 51723 7 158 . 1 . 1 37 37 ASN H H 1 7.815 . . . . . . . . 112 ASN H . 51723 7 159 . 1 . 1 37 37 ASN C C 13 174.394 . . . . . . . . 112 ASN CO . 51723 7 160 . 1 . 1 37 37 ASN CA C 13 50.242 . . . . . . . . 112 ASN CA . 51723 7 161 . 1 . 1 37 37 ASN CB C 13 39.807 . . . . . . . . 112 ASN CB . 51723 7 162 . 1 . 1 37 37 ASN N N 15 122.961 . . . . . . . . 112 ASN N . 51723 7 163 . 1 . 1 38 38 HIS H H 1 8.363 . . . . . . . . 113 HIS H . 51723 7 164 . 1 . 1 38 38 HIS C C 13 175.882 . . . . . . . . 113 HIS CO . 51723 7 165 . 1 . 1 38 38 HIS CA C 13 55.817 . . . . . . . . 113 HIS CA . 51723 7 166 . 1 . 1 38 38 HIS CB C 13 30.947 . . . . . . . . 113 HIS CB . 51723 7 167 . 1 . 1 38 38 HIS N N 15 121.641 . . . . . . . . 113 HIS N . 51723 7 168 . 1 . 1 39 39 GLY H H 1 8.696 . . . . . . . . 114 GLY H . 51723 7 169 . 1 . 1 39 39 GLY C C 13 175.149 . . . . . . . . 114 GLY CO . 51723 7 170 . 1 . 1 39 39 GLY CA C 13 46.415 . . . . . . . . 114 GLY CA . 51723 7 171 . 1 . 1 39 39 GLY N N 15 117.252 . . . . . . . . 114 GLY N . 51723 7 172 . 1 . 1 40 40 GLY H H 1 8.871 . . . . . . . . 115 GLY H . 51723 7 173 . 1 . 1 40 40 GLY C C 13 173.962 . . . . . . . . 115 GLY CO . 51723 7 174 . 1 . 1 40 40 GLY CA C 13 45.028 . . . . . . . . 115 GLY CA . 51723 7 175 . 1 . 1 40 40 GLY N N 15 107.828 . . . . . . . . 115 GLY N . 51723 7 176 . 1 . 1 41 41 SER H H 1 7.744 . . . . . . . . 116 SER H . 51723 7 177 . 1 . 1 41 41 SER C C 13 171.879 . . . . . . . . 116 SER CO . 51723 7 178 . 1 . 1 41 41 SER CA C 13 57.087 . . . . . . . . 116 SER CA . 51723 7 179 . 1 . 1 41 41 SER CB C 13 64.803 . . . . . . . . 116 SER CB . 51723 7 180 . 1 . 1 41 41 SER N N 15 116.059 . . . . . . . . 116 SER N . 51723 7 181 . 1 . 1 42 42 LEU H H 1 8.270 . . . . . . . . 117 LEU H . 51723 7 182 . 1 . 1 42 42 LEU C C 13 176.813 . . . . . . . . 117 LEU CO . 51723 7 183 . 1 . 1 42 42 LEU CA C 13 53.483 . . . . . . . . 117 LEU CA . 51723 7 184 . 1 . 1 42 42 LEU CB C 13 44.479 . . . . . . . . 117 LEU CB . 51723 7 185 . 1 . 1 42 42 LEU N N 15 127.538 . . . . . . . . 117 LEU N . 51723 7 186 . 1 . 1 43 43 THR H H 1 8.884 . . . . . . . . 118 THR H . 51723 7 187 . 1 . 1 43 43 THR C C 13 172.765 . . . . . . . . 118 THR CO . 51723 7 188 . 1 . 1 43 43 THR CA C 13 59.968 . . . . . . . . 118 THR CA . 51723 7 189 . 1 . 1 43 43 THR CB C 13 72.483 . . . . . . . . 118 THR CB . 51723 7 190 . 1 . 1 43 43 THR N N 15 115.653 . . . . . . . . 118 THR N . 51723 7 191 . 1 . 1 44 44 ALA H H 1 8.805 . . . . . . . . 119 ALA H . 51723 7 192 . 1 . 1 44 44 ALA C C 13 175.326 . . . . . . . . 119 ALA CO . 51723 7 193 . 1 . 1 44 44 ALA CA C 13 51.147 . . . . . . . . 119 ALA CA . 51723 7 194 . 1 . 1 44 44 ALA CB C 13 22.255 . . . . . . . . 119 ALA CB . 51723 7 195 . 1 . 1 44 44 ALA N N 15 121.600 . . . . . . . . 119 ALA N . 51723 7 196 . 1 . 1 45 45 VAL H H 1 8.052 . . . . . . . . 120 VAL H . 51723 7 197 . 1 . 1 45 45 VAL C C 13 175.104 . . . . . . . . 120 VAL CO . 51723 7 198 . 1 . 1 45 45 VAL CA C 13 57.695 . . . . . . . . 120 VAL CA . 51723 7 199 . 1 . 1 45 45 VAL CB C 13 36.422 . . . . . . . . 120 VAL CB . 51723 7 200 . 1 . 1 45 45 VAL N N 15 113.866 . . . . . . . . 120 VAL N . 51723 7 201 . 1 . 1 46 46 SER H H 1 8.994 . . . . . . . . 121 SER H . 51723 7 202 . 1 . 1 46 46 SER C C 13 172.625 . . . . . . . . 121 SER CO . 51723 7 203 . 1 . 1 46 46 SER CA C 13 59.142 . . . . . . . . 121 SER CA . 51723 7 204 . 1 . 1 46 46 SER CB C 13 63.745 . . . . . . . . 121 SER CB . 51723 7 205 . 1 . 1 46 46 SER N N 15 114.413 . . . . . . . . 121 SER N . 51723 7 206 . 1 . 1 47 47 ALA H H 1 9.118 . . . . . . . . 122 ALA H . 51723 7 207 . 1 . 1 47 47 ALA C C 13 175.474 . . . . . . . . 122 ALA CO . 51723 7 208 . 1 . 1 47 47 ALA CA C 13 50.063 . . . . . . . . 122 ALA CA . 51723 7 209 . 1 . 1 47 47 ALA CB C 13 20.776 . . . . . . . . 122 ALA CB . 51723 7 210 . 1 . 1 47 47 ALA N N 15 123.089 . . . . . . . . 122 ALA N . 51723 7 211 . 1 . 1 48 48 ILE H H 1 7.597 . . . . . . . . 123 ILE H . 51723 7 212 . 1 . 1 48 48 ILE C C 13 183.376 . . . . . . . . 123 ILE CO . 51723 7 213 . 1 . 1 48 48 ILE CA C 13 64.648 . . . . . . . . 123 ILE CA . 51723 7 214 . 1 . 1 48 48 ILE CB C 13 38.074 . . . . . . . . 123 ILE CB . 51723 7 215 . 1 . 1 48 48 ILE N N 15 119.303 . . . . . . . . 123 ILE N . 51723 7 216 . 1 . 1 49 49 CYS C C 13 175.307 . . . . . . . . 124 CYS CO . 51723 7 217 . 1 . 1 49 49 CYS CA C 13 54.973 . . . . . . . . 124 CYS CA . 51723 7 218 . 1 . 1 49 49 CYS CB C 13 42.209 . . . . . . . . 124 CYS CB . 51723 7 219 . 1 . 1 50 50 THR H H 1 9.558 . . . . . . . . 125 THR H . 51723 7 220 . 1 . 1 50 50 THR C C 13 176.598 . . . . . . . . 125 THR CO . 51723 7 221 . 1 . 1 50 50 THR CA C 13 61.715 . . . . . . . . 125 THR CA . 51723 7 222 . 1 . 1 50 50 THR CB C 13 71.638 . . . . . . . . 125 THR CB . 51723 7 223 . 1 . 1 50 50 THR N N 15 111.900 . . . . . . . . 125 THR N . 51723 7 224 . 1 . 1 51 51 HIS H H 1 9.248 . . . . . . . . 126 HIS H . 51723 7 225 . 1 . 1 51 51 HIS C C 13 174.134 . . . . . . . . 126 HIS CO . 51723 7 226 . 1 . 1 51 51 HIS CA C 13 59.400 . . . . . . . . 126 HIS CA . 51723 7 227 . 1 . 1 51 51 HIS CB C 13 28.503 . . . . . . . . 126 HIS CB . 51723 7 228 . 1 . 1 51 51 HIS N N 15 119.937 . . . . . . . . 126 HIS N . 51723 7 229 . 1 . 1 54 54 CYS C C 13 171.295 . . . . . . . . 129 CYS CO . 51723 7 230 . 1 . 1 54 54 CYS CA C 13 58.311 . . . . . . . . 129 CYS CA . 51723 7 231 . 1 . 1 55 55 LEU H H 1 8.296 . . . . . . . . 130 LEU H . 51723 7 232 . 1 . 1 55 55 LEU C C 13 178.004 . . . . . . . . 130 LEU CO . 51723 7 233 . 1 . 1 55 55 LEU CA C 13 54.442 . . . . . . . . 130 LEU CA . 51723 7 234 . 1 . 1 55 55 LEU CB C 13 42.317 . . . . . . . . 130 LEU CB . 51723 7 235 . 1 . 1 55 55 LEU N N 15 120.263 . . . . . . . . 130 LEU N . 51723 7 236 . 1 . 1 56 56 VAL H H 1 7.911 . . . . . . . . 131 VAL H . 51723 7 237 . 1 . 1 56 56 VAL C C 13 173.476 . . . . . . . . 131 VAL CO . 51723 7 238 . 1 . 1 56 56 VAL CA C 13 60.210 . . . . . . . . 131 VAL CA . 51723 7 239 . 1 . 1 56 56 VAL CB C 13 31.886 . . . . . . . . 131 VAL CB . 51723 7 240 . 1 . 1 56 56 VAL N N 15 116.286 . . . . . . . . 131 VAL N . 51723 7 241 . 1 . 1 57 57 HIS H H 1 8.139 . . . . . . . . 132 HIS H . 51723 7 242 . 1 . 1 57 57 HIS C C 13 173.289 . . . . . . . . 132 HIS CO . 51723 7 243 . 1 . 1 57 57 HIS CA C 13 54.609 . . . . . . . . 132 HIS CA . 51723 7 244 . 1 . 1 57 57 HIS CB C 13 33.530 . . . . . . . . 132 HIS CB . 51723 7 245 . 1 . 1 57 57 HIS N N 15 111.289 . . . . . . . . 132 HIS N . 51723 7 246 . 1 . 1 58 58 TRP H H 1 8.820 . . . . . . . . 133 TRP H . 51723 7 247 . 1 . 1 58 58 TRP HE1 H 1 10.903 . . . . . . . . 133 TRP HE1 . 51723 7 248 . 1 . 1 58 58 TRP C C 13 174.122 . . . . . . . . 133 TRP CO . 51723 7 249 . 1 . 1 58 58 TRP CA C 13 55.959 . . . . . . . . 133 TRP CA . 51723 7 250 . 1 . 1 58 58 TRP CB C 13 31.201 . . . . . . . . 133 TRP CB . 51723 7 251 . 1 . 1 58 58 TRP N N 15 119.853 . . . . . . . . 133 TRP N . 51723 7 252 . 1 . 1 58 58 TRP NE1 N 15 128.892 . . . . . . . . 133 TRP NE1 . 51723 7 253 . 1 . 1 59 59 ASP H H 1 8.210 . . . . . . . . 134 ASP H . 51723 7 254 . 1 . 1 59 59 ASP C C 13 174.147 . . . . . . . . 134 ASP CO . 51723 7 255 . 1 . 1 59 59 ASP CA C 13 51.602 . . . . . . . . 134 ASP CA . 51723 7 256 . 1 . 1 59 59 ASP CB C 13 41.552 . . . . . . . . 134 ASP CB . 51723 7 257 . 1 . 1 59 59 ASP N N 15 130.859 . . . . . . . . 134 ASP N . 51723 7 258 . 1 . 1 60 60 GLU H H 1 8.047 . . . . . . . . 135 GLU H . 51723 7 259 . 1 . 1 60 60 GLU C C 13 177.687 . . . . . . . . 135 GLU CO . 51723 7 260 . 1 . 1 60 60 GLU CA C 13 58.065 . . . . . . . . 135 GLU CA . 51723 7 261 . 1 . 1 60 60 GLU CB C 13 29.136 . . . . . . . . 135 GLU CB . 51723 7 262 . 1 . 1 60 60 GLU N N 15 125.150 . . . . . . . . 135 GLU N . 51723 7 263 . 1 . 1 61 61 ALA H H 1 7.976 . . . . . . . . 136 ALA H . 51723 7 264 . 1 . 1 61 61 ALA C C 13 179.164 . . . . . . . . 136 ALA CO . 51723 7 265 . 1 . 1 61 61 ALA CA C 13 54.315 . . . . . . . . 136 ALA CA . 51723 7 266 . 1 . 1 61 61 ALA CB C 13 18.347 . . . . . . . . 136 ALA CB . 51723 7 267 . 1 . 1 61 61 ALA N N 15 120.068 . . . . . . . . 136 ALA N . 51723 7 268 . 1 . 1 62 62 ALA H H 1 7.242 . . . . . . . . 137 ALA H . 51723 7 269 . 1 . 1 62 62 ALA C C 13 176.018 . . . . . . . . 137 ALA CO . 51723 7 270 . 1 . 1 62 62 ALA CA C 13 51.037 . . . . . . . . 137 ALA CA . 51723 7 271 . 1 . 1 62 62 ALA CB C 13 20.089 . . . . . . . . 137 ALA CB . 51723 7 272 . 1 . 1 62 62 ALA N N 15 118.270 . . . . . . . . 137 ALA N . 51723 7 273 . 1 . 1 63 63 ASP H H 1 7.742 . . . . . . . . 138 ASP H . 51723 7 274 . 1 . 1 63 63 ASP C C 13 174.718 . . . . . . . . 138 ASP CO . 51723 7 275 . 1 . 1 63 63 ASP CA C 13 54.539 . . . . . . . . 138 ASP CA . 51723 7 276 . 1 . 1 63 63 ASP CB C 13 39.087 . . . . . . . . 138 ASP CB . 51723 7 277 . 1 . 1 63 63 ASP N N 15 120.383 . . . . . . . . 138 ASP N . 51723 7 278 . 1 . 1 64 64 MET H H 1 6.582 . . . . . . . . 139 MET H . 51723 7 279 . 1 . 1 64 64 MET C C 13 173.868 . . . . . . . . 139 MET CO . 51723 7 280 . 1 . 1 64 64 MET CA C 13 55.597 . . . . . . . . 139 MET CA . 51723 7 281 . 1 . 1 64 64 MET CB C 13 35.500 . . . . . . . . 139 MET CB . 51723 7 282 . 1 . 1 64 64 MET N N 15 113.046 . . . . . . . . 139 MET N . 51723 7 283 . 1 . 1 65 65 ILE H H 1 8.903 . . . . . . . . 140 ILE H . 51723 7 284 . 1 . 1 65 65 ILE C C 13 174.320 . . . . . . . . 140 ILE CO . 51723 7 285 . 1 . 1 65 65 ILE CA C 13 61.580 . . . . . . . . 140 ILE CA . 51723 7 286 . 1 . 1 65 65 ILE CB C 13 38.649 . . . . . . . . 140 ILE CB . 51723 7 287 . 1 . 1 65 65 ILE N N 15 121.049 . . . . . . . . 140 ILE N . 51723 7 288 . 1 . 1 66 66 ALA H H 1 8.749 . . . . . . . . 141 ALA H . 51723 7 289 . 1 . 1 66 66 ALA C C 13 180.976 . . . . . . . . 141 ALA CO . 51723 7 290 . 1 . 1 66 66 ALA CA C 13 56.472 . . . . . . . . 141 ALA CA . 51723 7 291 . 1 . 1 66 66 ALA N N 15 132.206 . . . . . . . . 141 ALA N . 51723 7 292 . 1 . 1 76 76 GLN C C 13 174.122 . . . . . . . . 151 GLN CO . 51723 7 293 . 1 . 1 76 76 GLN CA C 13 59.386 . . . . . . . . 151 GLN CA . 51723 7 294 . 1 . 1 76 76 GLN CB C 13 28.500 . . . . . . . . 151 GLN CB . 51723 7 295 . 1 . 1 77 77 ASP H H 1 7.833 . . . . . . . . 152 ASP H . 51723 7 296 . 1 . 1 77 77 ASP C C 13 176.153 . . . . . . . . 152 ASP CO . 51723 7 297 . 1 . 1 77 77 ASP CA C 13 52.425 . . . . . . . . 152 ASP CA . 51723 7 298 . 1 . 1 77 77 ASP CB C 13 39.474 . . . . . . . . 152 ASP CB . 51723 7 299 . 1 . 1 77 77 ASP N N 15 108.694 . . . . . . . . 152 ASP N . 51723 7 300 . 1 . 1 78 78 GLY H H 1 8.422 . . . . . . . . 153 GLY H . 51723 7 301 . 1 . 1 78 78 GLY C C 13 173.146 . . . . . . . . 153 GLY CO . 51723 7 302 . 1 . 1 78 78 GLY CA C 13 47.307 . . . . . . . . 153 GLY CA . 51723 7 303 . 1 . 1 78 78 GLY N N 15 108.117 . . . . . . . . 153 GLY N . 51723 7 304 . 1 . 1 79 79 LYS H H 1 7.982 . . . . . . . . 154 LYS H . 51723 7 305 . 1 . 1 79 79 LYS C C 13 177.635 . . . . . . . . 154 LYS CO . 51723 7 306 . 1 . 1 79 79 LYS CA C 13 56.523 . . . . . . . . 154 LYS CA . 51723 7 307 . 1 . 1 79 79 LYS CB C 13 31.784 . . . . . . . . 154 LYS CB . 51723 7 308 . 1 . 1 79 79 LYS N N 15 118.440 . . . . . . . . 154 LYS N . 51723 7 309 . 1 . 1 80 80 ILE H H 1 8.697 . . . . . . . . 155 ILE H . 51723 7 310 . 1 . 1 80 80 ILE C C 13 177.519 . . . . . . . . 155 ILE CO . 51723 7 311 . 1 . 1 80 80 ILE CA C 13 65.296 . . . . . . . . 155 ILE CA . 51723 7 312 . 1 . 1 80 80 ILE CB C 13 39.432 . . . . . . . . 155 ILE CB . 51723 7 313 . 1 . 1 80 80 ILE N N 15 120.805 . . . . . . . . 155 ILE N . 51723 7 314 . 1 . 1 81 81 ILE H H 1 8.515 . . . . . . . . 156 ILE H . 51723 7 315 . 1 . 1 81 81 ILE C C 13 175.675 . . . . . . . . 156 ILE CO . 51723 7 316 . 1 . 1 81 81 ILE CA C 13 64.018 . . . . . . . . 156 ILE CA . 51723 7 317 . 1 . 1 81 81 ILE CB C 13 39.222 . . . . . . . . 156 ILE CB . 51723 7 318 . 1 . 1 81 81 ILE N N 15 128.380 . . . . . . . . 156 ILE N . 51723 7 319 . 1 . 1 82 82 SER H H 1 7.716 . . . . . . . . 157 SER H . 51723 7 320 . 1 . 1 82 82 SER C C 13 171.346 . . . . . . . . 157 SER CO . 51723 7 321 . 1 . 1 82 82 SER CA C 13 57.452 . . . . . . . . 157 SER CA . 51723 7 322 . 1 . 1 82 82 SER CB C 13 64.228 . . . . . . . . 157 SER CB . 51723 7 323 . 1 . 1 82 82 SER N N 15 110.489 . . . . . . . . 157 SER N . 51723 7 324 . 1 . 1 83 83 GLY H H 1 8.418 . . . . . . . . 158 GLY H . 51723 7 325 . 1 . 1 83 83 GLY CA C 13 44.657 . . . . . . . . 158 GLY CA . 51723 7 326 . 1 . 1 83 83 GLY N N 15 108.016 . . . . . . . . 158 GLY N . 51723 7 327 . 1 . 1 87 87 LEU H H 1 6.848 . . . . . . . . 162 LEU H . 51723 7 328 . 1 . 1 87 87 LEU N N 15 118.679 . . . . . . . . 162 LEU N . 51723 7 329 . 1 . 1 88 88 PRO C C 13 175.625 . . . . . . . . 163 PRO CO . 51723 7 330 . 1 . 1 88 88 PRO CA C 13 62.489 . . . . . . . . 163 PRO CA . 51723 7 331 . 1 . 1 88 88 PRO CB C 13 33.827 . . . . . . . . 163 PRO CB . 51723 7 332 . 1 . 1 89 89 LEU H H 1 8.897 . . . . . . . . 164 LEU H . 51723 7 333 . 1 . 1 89 89 LEU C C 13 177.618 . . . . . . . . 164 LEU CO . 51723 7 334 . 1 . 1 89 89 LEU CA C 13 54.552 . . . . . . . . 164 LEU CA . 51723 7 335 . 1 . 1 89 89 LEU CB C 13 40.846 . . . . . . . . 164 LEU CB . 51723 7 336 . 1 . 1 89 89 LEU N N 15 120.696 . . . . . . . . 164 LEU N . 51723 7 337 . 1 . 1 90 90 LYS H H 1 8.584 . . . . . . . . 165 LYS H . 51723 7 338 . 1 . 1 90 90 LYS C C 13 175.488 . . . . . . . . 165 LYS CO . 51723 7 339 . 1 . 1 90 90 LYS CA C 13 57.172 . . . . . . . . 165 LYS CA . 51723 7 340 . 1 . 1 90 90 LYS CB C 13 33.563 . . . . . . . . 165 LYS CB . 51723 7 341 . 1 . 1 90 90 LYS N N 15 124.280 . . . . . . . . 165 LYS N . 51723 7 342 . 1 . 1 91 91 GLN H H 1 8.337 . . . . . . . . 166 GLN H . 51723 7 343 . 1 . 1 91 91 GLN C C 13 175.861 . . . . . . . . 166 GLN CO . 51723 7 344 . 1 . 1 91 91 GLN CA C 13 56.491 . . . . . . . . 166 GLN CA . 51723 7 345 . 1 . 1 91 91 GLN CB C 13 30.428 . . . . . . . . 166 GLN CB . 51723 7 346 . 1 . 1 91 91 GLN N N 15 122.638 . . . . . . . . 166 GLN N . 51723 7 347 . 1 . 1 92 92 TYR H H 1 8.677 . . . . . . . . 167 TYR H . 51723 7 348 . 1 . 1 92 92 TYR C C 13 174.660 . . . . . . . . 167 TYR CO . 51723 7 349 . 1 . 1 92 92 TYR CA C 13 57.475 . . . . . . . . 167 TYR CA . 51723 7 350 . 1 . 1 92 92 TYR CB C 13 40.694 . . . . . . . . 167 TYR CB . 51723 7 351 . 1 . 1 92 92 TYR N N 15 123.275 . . . . . . . . 167 TYR N . 51723 7 352 . 1 . 1 93 93 LYS H H 1 8.711 . . . . . . . . 168 LYS H . 51723 7 353 . 1 . 1 93 93 LYS C C 13 174.993 . . . . . . . . 168 LYS CO . 51723 7 354 . 1 . 1 93 93 LYS CA C 13 55.238 . . . . . . . . 168 LYS CA . 51723 7 355 . 1 . 1 93 93 LYS CB C 13 33.349 . . . . . . . . 168 LYS CB . 51723 7 356 . 1 . 1 93 93 LYS N N 15 121.297 . . . . . . . . 168 LYS N . 51723 7 357 . 1 . 1 94 94 VAL H H 1 8.377 . . . . . . . . 169 VAL H . 51723 7 358 . 1 . 1 94 94 VAL C C 13 172.284 . . . . . . . . 169 VAL CO . 51723 7 359 . 1 . 1 94 94 VAL CA C 13 59.166 . . . . . . . . 169 VAL CA . 51723 7 360 . 1 . 1 94 94 VAL CB C 13 34.035 . . . . . . . . 169 VAL CB . 51723 7 361 . 1 . 1 94 94 VAL N N 15 119.450 . . . . . . . . 169 VAL N . 51723 7 362 . 1 . 1 95 95 LYS H H 1 8.410 . . . . . . . . 170 LYS H . 51723 7 363 . 1 . 1 95 95 LYS C C 13 173.118 . . . . . . . . 170 LYS CO . 51723 7 364 . 1 . 1 95 95 LYS CA C 13 54.328 . . . . . . . . 170 LYS CA . 51723 7 365 . 1 . 1 95 95 LYS CB C 13 35.775 . . . . . . . . 170 LYS CB . 51723 7 366 . 1 . 1 95 95 LYS N N 15 124.420 . . . . . . . . 170 LYS N . 51723 7 367 . 1 . 1 96 96 ILE H H 1 8.381 . . . . . . . . 171 ILE H . 51723 7 368 . 1 . 1 96 96 ILE C C 13 176.490 . . . . . . . . 171 ILE CO . 51723 7 369 . 1 . 1 96 96 ILE CA C 13 59.083 . . . . . . . . 171 ILE CA . 51723 7 370 . 1 . 1 96 96 ILE CB C 13 37.507 . . . . . . . . 171 ILE CB . 51723 7 371 . 1 . 1 96 96 ILE N N 15 119.994 . . . . . . . . 171 ILE N . 51723 7 372 . 1 . 1 97 97 GLU H H 1 9.076 . . . . . . . . 172 GLU H . 51723 7 373 . 1 . 1 97 97 GLU C C 13 175.866 . . . . . . . . 172 GLU CO . 51723 7 374 . 1 . 1 97 97 GLU CA C 13 55.375 . . . . . . . . 172 GLU CA . 51723 7 375 . 1 . 1 97 97 GLU CB C 13 33.470 . . . . . . . . 172 GLU CB . 51723 7 376 . 1 . 1 97 97 GLU N N 15 128.455 . . . . . . . . 172 GLU N . 51723 7 377 . 1 . 1 98 98 ASP C C 13 175.866 . . . . . . . . 173 ASP CO . 51723 7 378 . 1 . 1 98 98 ASP CA C 13 55.219 . . . . . . . . 173 ASP CA . 51723 7 379 . 1 . 1 98 98 ASP CB C 13 40.018 . . . . . . . . 173 ASP CB . 51723 7 380 . 1 . 1 99 99 GLY H H 1 8.433 . . . . . . . . 174 GLY H . 51723 7 381 . 1 . 1 99 99 GLY C C 13 174.325 . . . . . . . . 174 GLY CO . 51723 7 382 . 1 . 1 99 99 GLY CA C 13 45.712 . . . . . . . . 174 GLY CA . 51723 7 383 . 1 . 1 99 99 GLY N N 15 101.660 . . . . . . . . 174 GLY N . 51723 7 384 . 1 . 1 100 100 LYS H H 1 8.001 . . . . . . . . 175 LYS H . 51723 7 385 . 1 . 1 100 100 LYS C C 13 174.248 . . . . . . . . 175 LYS CO . 51723 7 386 . 1 . 1 100 100 LYS CA C 13 54.473 . . . . . . . . 175 LYS CA . 51723 7 387 . 1 . 1 100 100 LYS CB C 13 34.784 . . . . . . . . 175 LYS CB . 51723 7 388 . 1 . 1 100 100 LYS N N 15 121.314 . . . . . . . . 175 LYS N . 51723 7 389 . 1 . 1 101 101 ILE H H 1 8.772 . . . . . . . . 176 ILE H . 51723 7 390 . 1 . 1 101 101 ILE C C 13 174.656 . . . . . . . . 176 ILE CO . 51723 7 391 . 1 . 1 101 101 ILE CA C 13 61.625 . . . . . . . . 176 ILE CA . 51723 7 392 . 1 . 1 101 101 ILE CB C 13 37.743 . . . . . . . . 176 ILE CB . 51723 7 393 . 1 . 1 101 101 ILE N N 15 121.111 . . . . . . . . 176 ILE N . 51723 7 394 . 1 . 1 102 102 VAL H H 1 9.055 . . . . . . . . 177 VAL H . 51723 7 395 . 1 . 1 102 102 VAL C C 13 176.187 . . . . . . . . 177 VAL CO . 51723 7 396 . 1 . 1 102 102 VAL CA C 13 61.352 . . . . . . . . 177 VAL CA . 51723 7 397 . 1 . 1 102 102 VAL CB C 13 32.935 . . . . . . . . 177 VAL CB . 51723 7 398 . 1 . 1 102 102 VAL N N 15 129.107 . . . . . . . . 177 VAL N . 51723 7 399 . 1 . 1 103 103 VAL H H 1 8.543 . . . . . . . . 178 VAL H . 51723 7 400 . 1 . 1 103 103 VAL C C 13 173.942 . . . . . . . . 178 VAL CO . 51723 7 401 . 1 . 1 103 103 VAL CA C 13 60.194 . . . . . . . . 178 VAL CA . 51723 7 402 . 1 . 1 103 103 VAL CB C 13 33.475 . . . . . . . . 178 VAL CB . 51723 7 403 . 1 . 1 103 103 VAL N N 15 130.047 . . . . . . . . 178 VAL N . 51723 7 404 . 1 . 1 104 104 SER H H 1 9.065 . . . . . . . . 179 SER H . 51723 7 405 . 1 . 1 104 104 SER C C 13 173.651 . . . . . . . . 179 SER CO . 51723 7 406 . 1 . 1 104 104 SER CA C 13 56.767 . . . . . . . . 179 SER CA . 51723 7 407 . 1 . 1 104 104 SER CB C 13 66.391 . . . . . . . . 179 SER CB . 51723 7 408 . 1 . 1 104 104 SER N N 15 117.878 . . . . . . . . 179 SER N . 51723 7 409 . 1 . 1 105 105 ILE H H 1 8.183 . . . . . . . . 180 ILE H . 51723 7 410 . 1 . 1 105 105 ILE C C 13 175.995 . . . . . . . . 180 ILE CO . 51723 7 411 . 1 . 1 105 105 ILE CA C 13 61.730 . . . . . . . . 180 ILE CA . 51723 7 412 . 1 . 1 105 105 ILE CB C 13 39.344 . . . . . . . . 180 ILE CB . 51723 7 413 . 1 . 1 105 105 ILE N N 15 119.086 . . . . . . . . 180 ILE N . 51723 7 414 . 1 . 1 106 106 ALA H H 1 8.611 . . . . . . . . 181 ALA H . 51723 7 415 . 1 . 1 106 106 ALA C C 13 176.990 . . . . . . . . 181 ALA CO . 51723 7 416 . 1 . 1 106 106 ALA CA C 13 52.119 . . . . . . . . 181 ALA CA . 51723 7 417 . 1 . 1 106 106 ALA CB C 13 19.579 . . . . . . . . 181 ALA CB . 51723 7 418 . 1 . 1 106 106 ALA N N 15 128.894 . . . . . . . . 181 ALA N . 51723 7 419 . 1 . 1 107 107 LYS C C 13 176.177 . . . . . . . . 182 LYS CO . 51723 7 420 . 1 . 1 107 107 LYS CA C 13 56.154 . . . . . . . . 182 LYS CA . 51723 7 421 . 1 . 1 107 107 LYS CB C 13 33.276 . . . . . . . . 182 LYS CB . 51723 7 422 . 1 . 1 108 108 LEU H H 1 8.329 . . . . . . . . 183 LEU H . 51723 7 423 . 1 . 1 108 108 LEU C C 13 177.018 . . . . . . . . 183 LEU CO . 51723 7 424 . 1 . 1 108 108 LEU CA C 13 55.023 . . . . . . . . 183 LEU CA . 51723 7 425 . 1 . 1 108 108 LEU CB C 13 42.555 . . . . . . . . 183 LEU CB . 51723 7 426 . 1 . 1 108 108 LEU N N 15 124.703 . . . . . . . . 183 LEU N . 51723 7 427 . 1 . 1 109 109 ALA H H 1 8.334 . . . . . . . . 184 ALA H . 51723 7 428 . 1 . 1 109 109 ALA C C 13 177.376 . . . . . . . . 184 ALA CO . 51723 7 429 . 1 . 1 109 109 ALA CA C 13 52.558 . . . . . . . . 184 ALA CA . 51723 7 430 . 1 . 1 109 109 ALA CB C 13 19.301 . . . . . . . . 184 ALA CB . 51723 7 431 . 1 . 1 109 109 ALA N N 15 125.517 . . . . . . . . 184 ALA N . 51723 7 432 . 1 . 1 110 110 ALA C C 13 177.515 . . . . . . . . 185 ALA CO . 51723 7 433 . 1 . 1 110 110 ALA CA C 13 52.603 . . . . . . . . 185 ALA CA . 51723 7 434 . 1 . 1 110 110 ALA CB C 13 19.362 . . . . . . . . 185 ALA CB . 51723 7 435 . 1 . 1 111 111 ALA H H 1 8.204 . . . . . . . . 186 ALA H . 51723 7 436 . 1 . 1 111 111 ALA C C 13 177.738 . . . . . . . . 186 ALA CO . 51723 7 437 . 1 . 1 111 111 ALA CA C 13 52.544 . . . . . . . . 186 ALA CA . 51723 7 438 . 1 . 1 111 111 ALA CB C 13 19.252 . . . . . . . . 186 ALA CB . 51723 7 439 . 1 . 1 111 111 ALA N N 15 123.083 . . . . . . . . 186 ALA N . 51723 7 440 . 1 . 1 112 112 LEU H H 1 8.123 . . . . . . . . 187 LEU H . 51723 7 441 . 1 . 1 112 112 LEU C C 13 177.430 . . . . . . . . 187 LEU CO . 51723 7 442 . 1 . 1 112 112 LEU CA C 13 55.192 . . . . . . . . 187 LEU CA . 51723 7 443 . 1 . 1 112 112 LEU CB C 13 42.365 . . . . . . . . 187 LEU CB . 51723 7 444 . 1 . 1 112 112 LEU N N 15 120.913 . . . . . . . . 187 LEU N . 51723 7 445 . 1 . 1 113 113 GLU H H 1 8.273 . . . . . . . . 188 GLU H . 51723 7 446 . 1 . 1 113 113 GLU C C 13 176.168 . . . . . . . . 188 GLU CO . 51723 7 447 . 1 . 1 113 113 GLU CA C 13 56.559 . . . . . . . . 188 GLU CA . 51723 7 448 . 1 . 1 113 113 GLU CB C 13 30.424 . . . . . . . . 188 GLU CB . 51723 7 449 . 1 . 1 113 113 GLU N N 15 121.177 . . . . . . . . 188 GLU N . 51723 7 stop_ save_