data_27280 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27280 _Entry.Title ; Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N15 beta subunit C domain mutant m22 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-10-11 _Entry.Accession_date 2017-10-11 _Entry.Last_release_date 2015-07-14 _Entry.Original_release_date 2015-07-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N15 beta subunit C domain mutant m22 (Y50A/E51A/F128R/V144Q/L146Q) ; 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 Robert Mallis . J. . . 27280 2 Haribabu Arthanari . . . . 27280 3 Ellis Reinherz . L. . . 27280 4 Gerhard Wagner . . . . 27280 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27280 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27280 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 593 27280 '15N chemical shifts' 206 27280 '1H chemical shifts' 206 27280 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-11-14 . original BMRB . 27280 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26600 ; Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N15 beta subunit ; 27280 BMRB 27278 'T cell receptor N15 beta subunit C domain mutant c1 (F128R/V144Q/L146Q)' 27280 BMRB 27279 'T cell receptor N30 beta subunit C domain mutant c1 (F128R/V144Q/L146Q)' 27280 BMRB 27281 ; T cell receptor N15 beta subunit C domain mutant m23 (Q48A/Y50A/E51A/F128R/V144Q/L146Q) ; 27280 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27280 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 'doi: 10.1073/pnas.1504971112' _Citation.PubMed_ID 26056289 _Citation.Full_citation . _Citation.Title ; Pre-TCR ligand binding impacts thymocyte development before TCR expression. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 112 _Citation.Journal_issue 27 _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 8373 _Citation.Page_last 8378 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Robert Mallis . J. . . 27280 1 2 Ke Bai . . . . 27280 1 3 Haribabu Arthanari . . . . 27280 1 4 Rebecca Hussey . E. . . 27280 1 5 Zhenhai Li . . . . 27280 1 6 Loice Chingozha . . . . 27280 1 7 Jonathan Duke-Cohan . S. . . 27280 1 8 Hang Lu . . . . 27280 1 9 Jia-Huai Wang . . . . 27280 1 10 Cheng Zhu . . . . 27280 1 11 Gerhard Wagner . . . . 27280 1 12 Ellis Reinherz . L. . . 27280 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR spectroscopy' 27280 1 'biomembrane force probe' 27280 1 'pre T-cell receptor' 27280 1 'repertoire selection' 27280 1 'thymic development' 27280 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 27280 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26275917 _Citation.Full_citation . _Citation.Title ; Backbone Resonance Assignment of N15, N30 and D10 T cell Receptor beta subunits ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 1 _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 35 _Citation.Page_last 39 _Citation.Year 2016 _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 Robert Mallis . J. . . 27280 2 2 Ellis Reinherz . L. . . 27280 2 3 Gerhard Wagner . . . . 27280 2 4 Haribabu Arthanari . . . . 27280 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID MHC 27280 2 'NMR spectroscopy' 27280 2 'T-cell Receptor (TCR)' 27280 2 'biomembrane force probe' 27280 2 immunology 27280 2 'pre T-cell receptor' 27280 2 'protein refolding' 27280 2 'repertoire selection' 27280 2 'thymic development' 27280 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27280 _Assembly.ID 1 _Assembly.Name 'N15alphabetaTCR, pTalpha/N15beta' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'N15 beta subunit C domain mutant m22 (Y50A/E51A/F128R/V144Q/L146Q)' 1 $N15b-m22 A . yes native no no . . . 27280 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 24 24 SG . 1 . 1 CYS 92 92 SG . 'beta subunit' . 23 CYS SG . 'beta subunit' . 91 CYS SG 27280 1 2 disulfide single . 1 . 1 CYS 144 144 SG . 1 . 1 CYS 205 205 SG . 'beta subunit' . 143 CYS SG . 'beta subunit' . 204 CYS SG 27280 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3Q5Y . . X-ray 1.9 'WT of same molecule' . 27280 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_N15b-m22 _Entity.Sf_category entity _Entity.Sf_framecode N15b-m22 _Entity.Entry_ID 27280 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name N15b-m22 _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 ; MDSGVVQSPRHIIKEKGGRS VLTCIPISGHSNVVWYQQTL GKELKFLIQHAAKVERDKGF LPSRFSVQQFDDYHSEMNMS ALELEDSAMYFCASSLRWGD EQYFGPGTRLTVLEDLRNVT PPKVSLREPSKAEIANKQKA TLQCQARGFFPDHVELSWWV NGKEVHSGVSTDPQAYKESN YSYSLSSRLRVSATFWHNPR NHFRCQVQFHGLSEEDKWPE GSPKPVTQNISAEAWGRADS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 240 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Extracellular domain' _Entity.Mutation ; Y50A E51A C239S F126R V142Q L144Q ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 27278.55 _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 'Beta subunit of PreTCR or TCR with mutations with ligand recognition loop.' 27280 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 0 MET . 27280 1 2 1 ASP . 27280 1 3 2 SER . 27280 1 4 3 GLY . 27280 1 5 4 VAL . 27280 1 6 5 VAL . 27280 1 7 6 GLN . 27280 1 8 7 SER . 27280 1 9 8 PRO . 27280 1 10 9 ARG . 27280 1 11 10 HIS . 27280 1 12 11 ILE . 27280 1 13 12 ILE . 27280 1 14 13 LYS . 27280 1 15 14 GLU . 27280 1 16 15 LYS . 27280 1 17 16 GLY . 27280 1 18 17 GLY . 27280 1 19 18 ARG . 27280 1 20 19 SER . 27280 1 21 20 VAL . 27280 1 22 21 LEU . 27280 1 23 22 THR . 27280 1 24 23 CYS . 27280 1 25 24 ILE . 27280 1 26 25 PRO . 27280 1 27 26 ILE . 27280 1 28 27 SER . 27280 1 29 28 GLY . 27280 1 30 29 HIS . 27280 1 31 30 SER . 27280 1 32 31 ASN . 27280 1 33 32 VAL . 27280 1 34 33 VAL . 27280 1 35 34 TRP . 27280 1 36 35 TYR . 27280 1 37 36 GLN . 27280 1 38 37 GLN . 27280 1 39 38 THR . 27280 1 40 39 LEU . 27280 1 41 40 GLY . 27280 1 42 41 LYS . 27280 1 43 42 GLU . 27280 1 44 43 LEU . 27280 1 45 44 LYS . 27280 1 46 45 PHE . 27280 1 47 46 LEU . 27280 1 48 47 ILE . 27280 1 49 48 GLN . 27280 1 50 49 HIS . 27280 1 51 50 ALA . 27280 1 52 51 ALA . 27280 1 53 52 LYS . 27280 1 54 53 VAL . 27280 1 55 54 GLU . 27280 1 56 55 ARG . 27280 1 57 56 ASP . 27280 1 58 57 LYS . 27280 1 59 58 GLY . 27280 1 60 59 PHE . 27280 1 61 60 LEU . 27280 1 62 61 PRO . 27280 1 63 62 SER . 27280 1 64 63 ARG . 27280 1 65 64 PHE . 27280 1 66 65 SER . 27280 1 67 66 VAL . 27280 1 68 67 GLN . 27280 1 69 68 GLN . 27280 1 70 69 PHE . 27280 1 71 70 ASP . 27280 1 72 71 ASP . 27280 1 73 72 TYR . 27280 1 74 73 HIS . 27280 1 75 74 SER . 27280 1 76 75 GLU . 27280 1 77 76 MET . 27280 1 78 77 ASN . 27280 1 79 78 MET . 27280 1 80 79 SER . 27280 1 81 80 ALA . 27280 1 82 81 LEU . 27280 1 83 82 GLU . 27280 1 84 83 LEU . 27280 1 85 84 GLU . 27280 1 86 85 ASP . 27280 1 87 86 SER . 27280 1 88 87 ALA . 27280 1 89 88 MET . 27280 1 90 89 TYR . 27280 1 91 90 PHE . 27280 1 92 91 CYS . 27280 1 93 92 ALA . 27280 1 94 93 SER . 27280 1 95 94 SER . 27280 1 96 95 LEU . 27280 1 97 96 ARG . 27280 1 98 97 TRP . 27280 1 99 98 GLY . 27280 1 100 99 ASP . 27280 1 101 100 GLU . 27280 1 102 101 GLN . 27280 1 103 102 TYR . 27280 1 104 103 PHE . 27280 1 105 104 GLY . 27280 1 106 105 PRO . 27280 1 107 106 GLY . 27280 1 108 107 THR . 27280 1 109 108 ARG . 27280 1 110 109 LEU . 27280 1 111 110 THR . 27280 1 112 111 VAL . 27280 1 113 112 LEU . 27280 1 114 113 GLU . 27280 1 115 114 ASP . 27280 1 116 115 LEU . 27280 1 117 116 ARG . 27280 1 118 117 ASN . 27280 1 119 118 VAL . 27280 1 120 119 THR . 27280 1 121 120 PRO . 27280 1 122 121 PRO . 27280 1 123 122 LYS . 27280 1 124 123 VAL . 27280 1 125 124 SER . 27280 1 126 125 LEU . 27280 1 127 126 ARG . 27280 1 128 127 GLU . 27280 1 129 128 PRO . 27280 1 130 129 SER . 27280 1 131 130 LYS . 27280 1 132 131 ALA . 27280 1 133 132 GLU . 27280 1 134 133 ILE . 27280 1 135 134 ALA . 27280 1 136 135 ASN . 27280 1 137 136 LYS . 27280 1 138 137 GLN . 27280 1 139 138 LYS . 27280 1 140 139 ALA . 27280 1 141 140 THR . 27280 1 142 141 LEU . 27280 1 143 142 GLN . 27280 1 144 143 CYS . 27280 1 145 144 GLN . 27280 1 146 145 ALA . 27280 1 147 146 ARG . 27280 1 148 147 GLY . 27280 1 149 148 PHE . 27280 1 150 149 PHE . 27280 1 151 150 PRO . 27280 1 152 151 ASP . 27280 1 153 152 HIS . 27280 1 154 153 VAL . 27280 1 155 154 GLU . 27280 1 156 155 LEU . 27280 1 157 156 SER . 27280 1 158 157 TRP . 27280 1 159 158 TRP . 27280 1 160 159 VAL . 27280 1 161 160 ASN . 27280 1 162 161 GLY . 27280 1 163 162 LYS . 27280 1 164 163 GLU . 27280 1 165 164 VAL . 27280 1 166 165 HIS . 27280 1 167 166 SER . 27280 1 168 167 GLY . 27280 1 169 168 VAL . 27280 1 170 169 SER . 27280 1 171 170 THR . 27280 1 172 171 ASP . 27280 1 173 172 PRO . 27280 1 174 173 GLN . 27280 1 175 174 ALA . 27280 1 176 175 TYR . 27280 1 177 176 LYS . 27280 1 178 177 GLU . 27280 1 179 178 SER . 27280 1 180 179 ASN . 27280 1 181 180 TYR . 27280 1 182 181 SER . 27280 1 183 182 TYR . 27280 1 184 183 SER . 27280 1 185 184 LEU . 27280 1 186 185 SER . 27280 1 187 186 SER . 27280 1 188 187 ARG . 27280 1 189 188 LEU . 27280 1 190 189 ARG . 27280 1 191 190 VAL . 27280 1 192 191 SER . 27280 1 193 192 ALA . 27280 1 194 193 THR . 27280 1 195 194 PHE . 27280 1 196 195 TRP . 27280 1 197 196 HIS . 27280 1 198 197 ASN . 27280 1 199 198 PRO . 27280 1 200 199 ARG . 27280 1 201 200 ASN . 27280 1 202 201 HIS . 27280 1 203 202 PHE . 27280 1 204 203 ARG . 27280 1 205 204 CYS . 27280 1 206 205 GLN . 27280 1 207 206 VAL . 27280 1 208 207 GLN . 27280 1 209 208 PHE . 27280 1 210 209 HIS . 27280 1 211 210 GLY . 27280 1 212 211 LEU . 27280 1 213 212 SER . 27280 1 214 213 GLU . 27280 1 215 214 GLU . 27280 1 216 215 ASP . 27280 1 217 216 LYS . 27280 1 218 217 TRP . 27280 1 219 218 PRO . 27280 1 220 219 GLU . 27280 1 221 220 GLY . 27280 1 222 221 SER . 27280 1 223 222 PRO . 27280 1 224 223 LYS . 27280 1 225 224 PRO . 27280 1 226 225 VAL . 27280 1 227 226 THR . 27280 1 228 227 GLN . 27280 1 229 228 ASN . 27280 1 230 229 ILE . 27280 1 231 230 SER . 27280 1 232 231 ALA . 27280 1 233 232 GLU . 27280 1 234 233 ALA . 27280 1 235 234 TRP . 27280 1 236 235 GLY . 27280 1 237 236 ARG . 27280 1 238 237 ALA . 27280 1 239 238 ASP . 27280 1 240 239 SER . 27280 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27280 1 . ASP 2 2 27280 1 . SER 3 3 27280 1 . GLY 4 4 27280 1 . VAL 5 5 27280 1 . VAL 6 6 27280 1 . GLN 7 7 27280 1 . SER 8 8 27280 1 . PRO 9 9 27280 1 . ARG 10 10 27280 1 . HIS 11 11 27280 1 . ILE 12 12 27280 1 . ILE 13 13 27280 1 . LYS 14 14 27280 1 . GLU 15 15 27280 1 . LYS 16 16 27280 1 . GLY 17 17 27280 1 . GLY 18 18 27280 1 . ARG 19 19 27280 1 . SER 20 20 27280 1 . VAL 21 21 27280 1 . LEU 22 22 27280 1 . THR 23 23 27280 1 . CYS 24 24 27280 1 . ILE 25 25 27280 1 . PRO 26 26 27280 1 . ILE 27 27 27280 1 . SER 28 28 27280 1 . GLY 29 29 27280 1 . HIS 30 30 27280 1 . SER 31 31 27280 1 . ASN 32 32 27280 1 . VAL 33 33 27280 1 . VAL 34 34 27280 1 . TRP 35 35 27280 1 . TYR 36 36 27280 1 . GLN 37 37 27280 1 . GLN 38 38 27280 1 . THR 39 39 27280 1 . LEU 40 40 27280 1 . GLY 41 41 27280 1 . LYS 42 42 27280 1 . GLU 43 43 27280 1 . LEU 44 44 27280 1 . LYS 45 45 27280 1 . PHE 46 46 27280 1 . LEU 47 47 27280 1 . ILE 48 48 27280 1 . GLN 49 49 27280 1 . HIS 50 50 27280 1 . ALA 51 51 27280 1 . ALA 52 52 27280 1 . LYS 53 53 27280 1 . VAL 54 54 27280 1 . GLU 55 55 27280 1 . ARG 56 56 27280 1 . ASP 57 57 27280 1 . LYS 58 58 27280 1 . GLY 59 59 27280 1 . PHE 60 60 27280 1 . LEU 61 61 27280 1 . PRO 62 62 27280 1 . SER 63 63 27280 1 . ARG 64 64 27280 1 . PHE 65 65 27280 1 . SER 66 66 27280 1 . VAL 67 67 27280 1 . GLN 68 68 27280 1 . GLN 69 69 27280 1 . PHE 70 70 27280 1 . ASP 71 71 27280 1 . ASP 72 72 27280 1 . TYR 73 73 27280 1 . HIS 74 74 27280 1 . SER 75 75 27280 1 . GLU 76 76 27280 1 . MET 77 77 27280 1 . ASN 78 78 27280 1 . MET 79 79 27280 1 . SER 80 80 27280 1 . ALA 81 81 27280 1 . LEU 82 82 27280 1 . GLU 83 83 27280 1 . LEU 84 84 27280 1 . GLU 85 85 27280 1 . ASP 86 86 27280 1 . SER 87 87 27280 1 . ALA 88 88 27280 1 . MET 89 89 27280 1 . TYR 90 90 27280 1 . PHE 91 91 27280 1 . CYS 92 92 27280 1 . ALA 93 93 27280 1 . SER 94 94 27280 1 . SER 95 95 27280 1 . LEU 96 96 27280 1 . ARG 97 97 27280 1 . TRP 98 98 27280 1 . GLY 99 99 27280 1 . ASP 100 100 27280 1 . GLU 101 101 27280 1 . GLN 102 102 27280 1 . TYR 103 103 27280 1 . PHE 104 104 27280 1 . GLY 105 105 27280 1 . PRO 106 106 27280 1 . GLY 107 107 27280 1 . THR 108 108 27280 1 . ARG 109 109 27280 1 . LEU 110 110 27280 1 . THR 111 111 27280 1 . VAL 112 112 27280 1 . LEU 113 113 27280 1 . GLU 114 114 27280 1 . ASP 115 115 27280 1 . LEU 116 116 27280 1 . ARG 117 117 27280 1 . ASN 118 118 27280 1 . VAL 119 119 27280 1 . THR 120 120 27280 1 . PRO 121 121 27280 1 . PRO 122 122 27280 1 . LYS 123 123 27280 1 . VAL 124 124 27280 1 . SER 125 125 27280 1 . LEU 126 126 27280 1 . ARG 127 127 27280 1 . GLU 128 128 27280 1 . PRO 129 129 27280 1 . SER 130 130 27280 1 . LYS 131 131 27280 1 . ALA 132 132 27280 1 . GLU 133 133 27280 1 . ILE 134 134 27280 1 . ALA 135 135 27280 1 . ASN 136 136 27280 1 . LYS 137 137 27280 1 . GLN 138 138 27280 1 . LYS 139 139 27280 1 . ALA 140 140 27280 1 . THR 141 141 27280 1 . LEU 142 142 27280 1 . GLN 143 143 27280 1 . CYS 144 144 27280 1 . GLN 145 145 27280 1 . ALA 146 146 27280 1 . ARG 147 147 27280 1 . GLY 148 148 27280 1 . PHE 149 149 27280 1 . PHE 150 150 27280 1 . PRO 151 151 27280 1 . ASP 152 152 27280 1 . HIS 153 153 27280 1 . VAL 154 154 27280 1 . GLU 155 155 27280 1 . LEU 156 156 27280 1 . SER 157 157 27280 1 . TRP 158 158 27280 1 . TRP 159 159 27280 1 . VAL 160 160 27280 1 . ASN 161 161 27280 1 . GLY 162 162 27280 1 . LYS 163 163 27280 1 . GLU 164 164 27280 1 . VAL 165 165 27280 1 . HIS 166 166 27280 1 . SER 167 167 27280 1 . GLY 168 168 27280 1 . VAL 169 169 27280 1 . SER 170 170 27280 1 . THR 171 171 27280 1 . ASP 172 172 27280 1 . PRO 173 173 27280 1 . GLN 174 174 27280 1 . ALA 175 175 27280 1 . TYR 176 176 27280 1 . LYS 177 177 27280 1 . GLU 178 178 27280 1 . SER 179 179 27280 1 . ASN 180 180 27280 1 . TYR 181 181 27280 1 . SER 182 182 27280 1 . TYR 183 183 27280 1 . SER 184 184 27280 1 . LEU 185 185 27280 1 . SER 186 186 27280 1 . SER 187 187 27280 1 . ARG 188 188 27280 1 . LEU 189 189 27280 1 . ARG 190 190 27280 1 . VAL 191 191 27280 1 . SER 192 192 27280 1 . ALA 193 193 27280 1 . THR 194 194 27280 1 . PHE 195 195 27280 1 . TRP 196 196 27280 1 . HIS 197 197 27280 1 . ASN 198 198 27280 1 . PRO 199 199 27280 1 . ARG 200 200 27280 1 . ASN 201 201 27280 1 . HIS 202 202 27280 1 . PHE 203 203 27280 1 . ARG 204 204 27280 1 . CYS 205 205 27280 1 . GLN 206 206 27280 1 . VAL 207 207 27280 1 . GLN 208 208 27280 1 . PHE 209 209 27280 1 . HIS 210 210 27280 1 . GLY 211 211 27280 1 . LEU 212 212 27280 1 . SER 213 213 27280 1 . GLU 214 214 27280 1 . GLU 215 215 27280 1 . ASP 216 216 27280 1 . LYS 217 217 27280 1 . TRP 218 218 27280 1 . PRO 219 219 27280 1 . GLU 220 220 27280 1 . GLY 221 221 27280 1 . SER 222 222 27280 1 . PRO 223 223 27280 1 . LYS 224 224 27280 1 . PRO 225 225 27280 1 . VAL 226 226 27280 1 . THR 227 227 27280 1 . GLN 228 228 27280 1 . ASN 229 229 27280 1 . ILE 230 230 27280 1 . SER 231 231 27280 1 . ALA 232 232 27280 1 . GLU 233 233 27280 1 . ALA 234 234 27280 1 . TRP 235 235 27280 1 . GLY 236 236 27280 1 . ARG 237 237 27280 1 . ALA 238 238 27280 1 . ASP 239 239 27280 1 . SER 240 240 27280 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27280 _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 $N15b-m22 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus B6 . . . . . . . . . . . . 27280 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27280 _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 $N15b-m22 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-DE3 . . . . . pet11d . . . 27280 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27280 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 N15b-m22 '[U-13C; U-15N; U-2H]' . . 1 $N15b-m22 . . 0.4 . . mM . . . . 27280 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27280 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27280 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 27280 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 27280 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 27280 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 250 . mM 27280 1 pH 7 . pH 27280 1 pressure 1 . atm 27280 1 temperature 298 . K 27280 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27280 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27280 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27280 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27280 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.90 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27280 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27280 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27280 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27280 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27280 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27280 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 750 . . . 27280 1 2 spectrometer_2 Bruker Avance . 600 . . . 27280 1 3 spectrometer_3 Varian INOVA . 600 . . . 27280 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27280 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27280 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27280 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect . . . . . . 27280 1 H 1 water protons . . . . ppm 4.7 internal indirect 1 . . . . . 27280 1 N 15 water protons . . . . ppm 4.7 internal indirect . . . . . . 27280 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27280 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27280 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 2 $CARA . . 27280 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 SER H H 1 8.287 0.020 . 1 . . . . . 2 SER H . 27280 1 2 . 1 1 3 3 SER C C 13 174.312 0.3 . 1 . . . . . 2 SER C . 27280 1 3 . 1 1 3 3 SER CA C 13 57.881 0.3 . 1 . . . . . 2 SER CA . 27280 1 4 . 1 1 3 3 SER CB C 13 63.307 0.3 . 1 . . . . . 2 SER CB . 27280 1 5 . 1 1 3 3 SER N N 15 116.603 0.3 . 1 . . . . . 2 SER N . 27280 1 6 . 1 1 4 4 GLY H H 1 8.062 0.020 . 1 . . . . . 3 GLY H . 27280 1 7 . 1 1 4 4 GLY C C 13 172.787 0.3 . 1 . . . . . 3 GLY C . 27280 1 8 . 1 1 4 4 GLY CA C 13 44.379 0.3 . 1 . . . . . 3 GLY CA . 27280 1 9 . 1 1 4 4 GLY N N 15 110.107 0.3 . 1 . . . . . 3 GLY N . 27280 1 10 . 1 1 5 5 VAL H H 1 8.087 0.020 . 1 . . . . . 4 VAL H . 27280 1 11 . 1 1 5 5 VAL C C 13 176.073 0.3 . 1 . . . . . 4 VAL C . 27280 1 12 . 1 1 5 5 VAL CA C 13 62.753 0.3 . 1 . . . . . 4 VAL CA . 27280 1 13 . 1 1 5 5 VAL CB C 13 31.533 0.3 . 1 . . . . . 4 VAL CB . 27280 1 14 . 1 1 5 5 VAL N N 15 123.853 0.3 . 1 . . . . . 4 VAL N . 27280 1 15 . 1 1 6 6 VAL H H 1 8.275 0.020 . 1 . . . . . 5 VAL H . 27280 1 16 . 1 1 6 6 VAL C C 13 175.680 0.3 . 1 . . . . . 5 VAL C . 27280 1 17 . 1 1 6 6 VAL CA C 13 60.693 0.3 . 1 . . . . . 5 VAL CA . 27280 1 18 . 1 1 6 6 VAL CB C 13 33.162 0.3 . 1 . . . . . 5 VAL CB . 27280 1 19 . 1 1 6 6 VAL N N 15 128.942 0.3 . 1 . . . . . 5 VAL N . 27280 1 20 . 1 1 7 7 GLN H H 1 8.189 0.020 . 1 . . . . . 6 GLN H . 27280 1 21 . 1 1 7 7 GLN C C 13 174.490 0.3 . 1 . . . . . 6 GLN C . 27280 1 22 . 1 1 7 7 GLN CA C 13 54.588 0.3 . 1 . . . . . 6 GLN CA . 27280 1 23 . 1 1 7 7 GLN CB C 13 34.293 0.3 . 1 . . . . . 6 GLN CB . 27280 1 24 . 1 1 7 7 GLN N N 15 123.358 0.3 . 1 . . . . . 6 GLN N . 27280 1 25 . 1 1 8 8 SER H H 1 8.189 0.020 . 1 . . . . . 7 SER H . 27280 1 26 . 1 1 8 8 SER C C 13 171.969 0.3 . 1 . . . . . 7 SER C . 27280 1 27 . 1 1 8 8 SER CA C 13 54.664 0.3 . 1 . . . . . 7 SER CA . 27280 1 28 . 1 1 8 8 SER CB C 13 64.205 0.3 . 1 . . . . . 7 SER CB . 27280 1 29 . 1 1 8 8 SER N N 15 115.688 0.3 . 1 . . . . . 7 SER N . 27280 1 30 . 1 1 11 11 HIS H H 1 7.708 0.020 . 1 . . . . . 10 HIS H . 27280 1 31 . 1 1 11 11 HIS C C 13 174.297 0.3 . 1 . . . . . 10 HIS C . 27280 1 32 . 1 1 11 11 HIS CA C 13 55.253 0.3 . 1 . . . . . 10 HIS CA . 27280 1 33 . 1 1 11 11 HIS CB C 13 33.539 0.3 . 1 . . . . . 10 HIS CB . 27280 1 34 . 1 1 11 11 HIS N N 15 118.604 0.3 . 1 . . . . . 10 HIS N . 27280 1 35 . 1 1 12 12 ILE H H 1 8.886 0.020 . 1 . . . . . 11 ILE H . 27280 1 36 . 1 1 12 12 ILE C C 13 172.979 0.3 . 1 . . . . . 11 ILE C . 27280 1 37 . 1 1 12 12 ILE CA C 13 60.233 0.3 . 1 . . . . . 11 ILE CA . 27280 1 38 . 1 1 12 12 ILE CB C 13 40.913 0.3 . 1 . . . . . 11 ILE CB . 27280 1 39 . 1 1 12 12 ILE N N 15 121.443 0.3 . 1 . . . . . 11 ILE N . 27280 1 40 . 1 1 13 13 ILE H H 1 8.114 0.020 . 1 . . . . . 12 ILE H . 27280 1 41 . 1 1 13 13 ILE C C 13 175.271 0.3 . 1 . . . . . 12 ILE C . 27280 1 42 . 1 1 13 13 ILE CA C 13 59.184 0.3 . 1 . . . . . 12 ILE CA . 27280 1 43 . 1 1 13 13 ILE CB C 13 39.121 0.3 . 1 . . . . . 12 ILE CB . 27280 1 44 . 1 1 13 13 ILE N N 15 127.938 0.3 . 1 . . . . . 12 ILE N . 27280 1 45 . 1 1 14 14 LYS H H 1 8.310 0.020 . 1 . . . . . 13 LYS H . 27280 1 46 . 1 1 14 14 LYS C C 13 173.987 0.3 . 1 . . . . . 13 LYS C . 27280 1 47 . 1 1 14 14 LYS CA C 13 51.208 0.3 . 1 . . . . . 13 LYS CA . 27280 1 48 . 1 1 14 14 LYS CB C 13 36.708 0.3 . 1 . . . . . 13 LYS CB . 27280 1 49 . 1 1 14 14 LYS N N 15 124.348 0.3 . 1 . . . . . 13 LYS N . 27280 1 50 . 1 1 15 15 GLU H H 1 8.941 0.020 . 1 . . . . . 14 GLU H . 27280 1 51 . 1 1 15 15 GLU C C 13 175.590 0.3 . 1 . . . . . 14 GLU C . 27280 1 52 . 1 1 15 15 GLU CA C 13 54.383 0.3 . 1 . . . . . 14 GLU CA . 27280 1 53 . 1 1 15 15 GLU CB C 13 30.380 0.3 . 1 . . . . . 14 GLU CB . 27280 1 54 . 1 1 15 15 GLU N N 15 122.354 0.3 . 1 . . . . . 14 GLU N . 27280 1 55 . 1 1 16 16 LYS H H 1 7.905 0.020 . 1 . . . . . 15 LYS H . 27280 1 56 . 1 1 16 16 LYS C C 13 176.738 0.3 . 1 . . . . . 15 LYS C . 27280 1 57 . 1 1 16 16 LYS CA C 13 57.237 0.3 . 1 . . . . . 15 LYS CA . 27280 1 58 . 1 1 16 16 LYS CB C 13 31.545 0.3 . 1 . . . . . 15 LYS CB . 27280 1 59 . 1 1 16 16 LYS N N 15 123.478 0.3 . 1 . . . . . 15 LYS N . 27280 1 60 . 1 1 17 17 GLY H H 1 10.004 0.020 . 1 . . . . . 16 GLY H . 27280 1 61 . 1 1 17 17 GLY C C 13 175.174 0.3 . 1 . . . . . 16 GLY C . 27280 1 62 . 1 1 17 17 GLY CA C 13 44.274 0.3 . 1 . . . . . 16 GLY CA . 27280 1 63 . 1 1 17 17 GLY N N 15 117.077 0.3 . 1 . . . . . 16 GLY N . 27280 1 64 . 1 1 18 18 GLY H H 1 8.436 0.020 . 1 . . . . . 17 GLY H . 27280 1 65 . 1 1 18 18 GLY C C 13 169.912 0.3 . 1 . . . . . 17 GLY C . 27280 1 66 . 1 1 18 18 GLY CA C 13 44.443 0.3 . 1 . . . . . 17 GLY CA . 27280 1 67 . 1 1 18 18 GLY N N 15 109.753 0.3 . 1 . . . . . 17 GLY N . 27280 1 68 . 1 1 19 19 ARG H H 1 7.985 0.020 . 1 . . . . . 18 ARG H . 27280 1 69 . 1 1 19 19 ARG C C 13 175.294 0.3 . 1 . . . . . 18 ARG C . 27280 1 70 . 1 1 19 19 ARG CA C 13 53.305 0.3 . 1 . . . . . 18 ARG CA . 27280 1 71 . 1 1 19 19 ARG CB C 13 32.781 0.3 . 1 . . . . . 18 ARG CB . 27280 1 72 . 1 1 19 19 ARG N N 15 114.730 0.3 . 1 . . . . . 18 ARG N . 27280 1 73 . 1 1 20 20 SER H H 1 8.397 0.020 . 1 . . . . . 19 SER H . 27280 1 74 . 1 1 20 20 SER C C 13 172.331 0.3 . 1 . . . . . 19 SER C . 27280 1 75 . 1 1 20 20 SER CA C 13 57.054 0.3 . 1 . . . . . 19 SER CA . 27280 1 76 . 1 1 20 20 SER CB C 13 65.806 0.3 . 1 . . . . . 19 SER CB . 27280 1 77 . 1 1 20 20 SER N N 15 114.323 0.3 . 1 . . . . . 19 SER N . 27280 1 78 . 1 1 21 21 VAL H H 1 7.737 0.020 . 1 . . . . . 20 VAL H . 27280 1 79 . 1 1 21 21 VAL C C 13 174.905 0.3 . 1 . . . . . 20 VAL C . 27280 1 80 . 1 1 21 21 VAL CA C 13 60.673 0.3 . 1 . . . . . 20 VAL CA . 27280 1 81 . 1 1 21 21 VAL CB C 13 33.128 0.3 . 1 . . . . . 20 VAL CB . 27280 1 82 . 1 1 21 21 VAL N N 15 121.100 0.3 . 1 . . . . . 20 VAL N . 27280 1 83 . 1 1 22 22 LEU H H 1 8.933 0.020 . 1 . . . . . 21 LEU H . 27280 1 84 . 1 1 22 22 LEU C C 13 175.991 0.3 . 1 . . . . . 21 LEU C . 27280 1 85 . 1 1 22 22 LEU CA C 13 54.114 0.3 . 1 . . . . . 21 LEU CA . 27280 1 86 . 1 1 22 22 LEU CB C 13 41.988 0.3 . 1 . . . . . 21 LEU CB . 27280 1 87 . 1 1 22 22 LEU N N 15 131.338 0.3 . 1 . . . . . 21 LEU N . 27280 1 88 . 1 1 23 23 THR H H 1 9.009 0.020 . 1 . . . . . 22 THR H . 27280 1 89 . 1 1 23 23 THR C C 13 173.775 0.3 . 1 . . . . . 22 THR C . 27280 1 90 . 1 1 23 23 THR CA C 13 62.546 0.3 . 1 . . . . . 22 THR CA . 27280 1 91 . 1 1 23 23 THR CB C 13 70.012 0.3 . 1 . . . . . 22 THR CB . 27280 1 92 . 1 1 23 23 THR N N 15 116.544 0.3 . 1 . . . . . 22 THR N . 27280 1 93 . 1 1 24 24 CYS H H 1 9.350 0.020 . 1 . . . . . 23 CYS H . 27280 1 94 . 1 1 24 24 CYS C C 13 172.790 0.3 . 1 . . . . . 23 CYS C . 27280 1 95 . 1 1 24 24 CYS CA C 13 54.138 0.3 . 1 . . . . . 23 CYS CA . 27280 1 96 . 1 1 24 24 CYS CB C 13 44.391 0.3 . 1 . . . . . 23 CYS CB . 27280 1 97 . 1 1 24 24 CYS N N 15 127.144 0.3 . 1 . . . . . 23 CYS N . 27280 1 98 . 1 1 25 25 ILE H H 1 9.509 0.020 . 1 . . . . . 24 ILE H . 27280 1 99 . 1 1 25 25 ILE C C 13 173.618 0.3 . 1 . . . . . 24 ILE C . 27280 1 100 . 1 1 25 25 ILE CA C 13 57.190 0.3 . 1 . . . . . 24 ILE CA . 27280 1 101 . 1 1 25 25 ILE CB C 13 37.311 0.3 . 1 . . . . . 24 ILE CB . 27280 1 102 . 1 1 25 25 ILE N N 15 131.161 0.3 . 1 . . . . . 24 ILE N . 27280 1 103 . 1 1 27 27 ILE H H 1 6.532 0.020 . 1 . . . . . 26 ILE H . 27280 1 104 . 1 1 27 27 ILE C C 13 175.763 0.3 . 1 . . . . . 26 ILE C . 27280 1 105 . 1 1 27 27 ILE CA C 13 61.927 0.3 . 1 . . . . . 26 ILE CA . 27280 1 106 . 1 1 27 27 ILE CB C 13 35.808 0.3 . 1 . . . . . 26 ILE CB . 27280 1 107 . 1 1 27 27 ILE N N 15 122.147 0.3 . 1 . . . . . 26 ILE N . 27280 1 108 . 1 1 28 28 SER H H 1 7.968 0.020 . 1 . . . . . 27 SER H . 27280 1 109 . 1 1 28 28 SER C C 13 175.822 0.3 . 1 . . . . . 27 SER C . 27280 1 110 . 1 1 28 28 SER CA C 13 59.716 0.3 . 1 . . . . . 27 SER CA . 27280 1 111 . 1 1 28 28 SER CB C 13 61.872 0.3 . 1 . . . . . 27 SER CB . 27280 1 112 . 1 1 28 28 SER N N 15 120.488 0.3 . 1 . . . . . 27 SER N . 27280 1 113 . 1 1 29 29 GLY H H 1 8.423 0.020 . 1 . . . . . 28 GLY H . 27280 1 114 . 1 1 29 29 GLY C C 13 174.419 0.3 . 1 . . . . . 28 GLY C . 27280 1 115 . 1 1 29 29 GLY CA C 13 44.337 0.3 . 1 . . . . . 28 GLY CA . 27280 1 116 . 1 1 29 29 GLY N N 15 115.953 0.3 . 1 . . . . . 28 GLY N . 27280 1 117 . 1 1 30 30 HIS H H 1 8.618 0.020 . 1 . . . . . 29 HIS H . 27280 1 118 . 1 1 30 30 HIS C C 13 175.982 0.3 . 1 . . . . . 29 HIS C . 27280 1 119 . 1 1 30 30 HIS CA C 13 56.108 0.3 . 1 . . . . . 29 HIS CA . 27280 1 120 . 1 1 30 30 HIS CB C 13 31.418 0.3 . 1 . . . . . 29 HIS CB . 27280 1 121 . 1 1 30 30 HIS N N 15 121.572 0.3 . 1 . . . . . 29 HIS N . 27280 1 122 . 1 1 31 31 SER H H 1 7.884 0.020 . 1 . . . . . 30 SER H . 27280 1 123 . 1 1 31 31 SER C C 13 173.734 0.3 . 1 . . . . . 30 SER C . 27280 1 124 . 1 1 31 31 SER CA C 13 57.106 0.3 . 1 . . . . . 30 SER CA . 27280 1 125 . 1 1 31 31 SER CB C 13 64.348 0.3 . 1 . . . . . 30 SER CB . 27280 1 126 . 1 1 31 31 SER N N 15 112.169 0.3 . 1 . . . . . 30 SER N . 27280 1 127 . 1 1 32 32 ASN H H 1 7.924 0.020 . 1 . . . . . 31 ASN H . 27280 1 128 . 1 1 32 32 ASN C C 13 173.638 0.3 . 1 . . . . . 31 ASN C . 27280 1 129 . 1 1 32 32 ASN CA C 13 52.078 0.3 . 1 . . . . . 31 ASN CA . 27280 1 130 . 1 1 32 32 ASN CB C 13 39.961 0.3 . 1 . . . . . 31 ASN CB . 27280 1 131 . 1 1 32 32 ASN N N 15 124.474 0.3 . 1 . . . . . 31 ASN N . 27280 1 132 . 1 1 33 33 VAL H H 1 8.996 0.020 . 1 . . . . . 32 VAL H . 27280 1 133 . 1 1 33 33 VAL C C 13 174.459 0.3 . 1 . . . . . 32 VAL C . 27280 1 134 . 1 1 33 33 VAL CA C 13 61.430 0.3 . 1 . . . . . 32 VAL CA . 27280 1 135 . 1 1 33 33 VAL CB C 13 34.398 0.3 . 1 . . . . . 32 VAL CB . 27280 1 136 . 1 1 33 33 VAL N N 15 123.620 0.3 . 1 . . . . . 32 VAL N . 27280 1 137 . 1 1 34 34 VAL H H 1 9.160 0.020 . 1 . . . . . 33 VAL H . 27280 1 138 . 1 1 34 34 VAL CA C 13 59.891 0.3 . 1 . . . . . 33 VAL CA . 27280 1 139 . 1 1 34 34 VAL CB C 13 34.146 0.3 . 1 . . . . . 33 VAL CB . 27280 1 140 . 1 1 34 34 VAL N N 15 130.115 0.3 . 1 . . . . . 33 VAL N . 27280 1 141 . 1 1 35 35 TRP H H 1 8.252 0.020 . 1 . . . . . 34 TRP H . 27280 1 142 . 1 1 35 35 TRP C C 13 175.313 0.3 . 1 . . . . . 34 TRP C . 27280 1 143 . 1 1 35 35 TRP CA C 13 55.623 0.3 . 1 . . . . . 34 TRP CA . 27280 1 144 . 1 1 35 35 TRP CB C 13 32.403 0.3 . 1 . . . . . 34 TRP CB . 27280 1 145 . 1 1 35 35 TRP N N 15 122.443 0.3 . 1 . . . . . 34 TRP N . 27280 1 146 . 1 1 36 36 TYR H H 1 9.634 0.020 . 1 . . . . . 35 TYR H . 27280 1 147 . 1 1 36 36 TYR C C 13 174.799 0.3 . 1 . . . . . 35 TYR C . 27280 1 148 . 1 1 36 36 TYR CA C 13 56.421 0.3 . 1 . . . . . 35 TYR CA . 27280 1 149 . 1 1 36 36 TYR CB C 13 44.177 0.3 . 1 . . . . . 35 TYR CB . 27280 1 150 . 1 1 36 36 TYR N N 15 117.734 0.3 . 1 . . . . . 35 TYR N . 27280 1 151 . 1 1 37 37 GLN H H 1 9.402 0.020 . 1 . . . . . 36 GLN H . 27280 1 152 . 1 1 37 37 GLN C C 13 174.126 0.3 . 1 . . . . . 36 GLN C . 27280 1 153 . 1 1 37 37 GLN CA C 13 53.346 0.3 . 1 . . . . . 36 GLN CA . 27280 1 154 . 1 1 37 37 GLN CB C 13 33.382 0.3 . 1 . . . . . 36 GLN CB . 27280 1 155 . 1 1 37 37 GLN N N 15 122.216 0.3 . 1 . . . . . 36 GLN N . 27280 1 156 . 1 1 38 38 GLN H H 1 9.346 0.020 . 1 . . . . . 37 GLN H . 27280 1 157 . 1 1 38 38 GLN C C 13 175.452 0.3 . 1 . . . . . 37 GLN C . 27280 1 158 . 1 1 38 38 GLN CA C 13 54.606 0.3 . 1 . . . . . 37 GLN CA . 27280 1 159 . 1 1 38 38 GLN CB C 13 31.047 0.3 . 1 . . . . . 37 GLN CB . 27280 1 160 . 1 1 38 38 GLN N N 15 128.424 0.3 . 1 . . . . . 37 GLN N . 27280 1 161 . 1 1 39 39 THR H H 1 9.022 0.020 . 1 . . . . . 38 THR H . 27280 1 162 . 1 1 39 39 THR C C 13 174.401 0.3 . 1 . . . . . 38 THR C . 27280 1 163 . 1 1 39 39 THR CA C 13 61.496 0.3 . 1 . . . . . 38 THR CA . 27280 1 164 . 1 1 39 39 THR CB C 13 69.078 0.3 . 1 . . . . . 38 THR CB . 27280 1 165 . 1 1 39 39 THR N N 15 125.381 0.3 . 1 . . . . . 38 THR N . 27280 1 166 . 1 1 40 40 LEU H H 1 8.428 0.020 . 1 . . . . . 39 LEU H . 27280 1 167 . 1 1 40 40 LEU C C 13 178.221 0.3 . 1 . . . . . 39 LEU C . 27280 1 168 . 1 1 40 40 LEU CA C 13 56.530 0.3 . 1 . . . . . 39 LEU CA . 27280 1 169 . 1 1 40 40 LEU CB C 13 40.217 0.3 . 1 . . . . . 39 LEU CB . 27280 1 170 . 1 1 40 40 LEU N N 15 124.298 0.3 . 1 . . . . . 39 LEU N . 27280 1 171 . 1 1 41 41 GLY H H 1 8.580 0.020 . 1 . . . . . 40 GLY H . 27280 1 172 . 1 1 41 41 GLY C C 13 174.063 0.3 . 1 . . . . . 40 GLY C . 27280 1 173 . 1 1 41 41 GLY CA C 13 45.120 0.3 . 1 . . . . . 40 GLY CA . 27280 1 174 . 1 1 41 41 GLY N N 15 111.646 0.3 . 1 . . . . . 40 GLY N . 27280 1 175 . 1 1 42 42 LYS H H 1 7.976 0.020 . 1 . . . . . 41 LYS H . 27280 1 176 . 1 1 42 42 LYS C C 13 175.964 0.3 . 1 . . . . . 41 LYS C . 27280 1 177 . 1 1 42 42 LYS CA C 13 54.447 0.3 . 1 . . . . . 41 LYS CA . 27280 1 178 . 1 1 42 42 LYS CB C 13 31.162 0.3 . 1 . . . . . 41 LYS CB . 27280 1 179 . 1 1 42 42 LYS N N 15 118.829 0.3 . 1 . . . . . 41 LYS N . 27280 1 180 . 1 1 43 43 GLU H H 1 8.066 0.020 . 1 . . . . . 42 GLU H . 27280 1 181 . 1 1 43 43 GLU C C 13 175.988 0.3 . 1 . . . . . 42 GLU C . 27280 1 182 . 1 1 43 43 GLU CA C 13 55.401 0.3 . 1 . . . . . 42 GLU CA . 27280 1 183 . 1 1 43 43 GLU CB C 13 29.387 0.3 . 1 . . . . . 42 GLU CB . 27280 1 184 . 1 1 43 43 GLU N N 15 119.447 0.3 . 1 . . . . . 42 GLU N . 27280 1 185 . 1 1 44 44 LEU H H 1 8.365 0.020 . 1 . . . . . 43 LEU H . 27280 1 186 . 1 1 44 44 LEU C C 13 176.497 0.3 . 1 . . . . . 43 LEU C . 27280 1 187 . 1 1 44 44 LEU CA C 13 55.041 0.3 . 1 . . . . . 43 LEU CA . 27280 1 188 . 1 1 44 44 LEU CB C 13 41.655 0.3 . 1 . . . . . 43 LEU CB . 27280 1 189 . 1 1 44 44 LEU N N 15 122.984 0.3 . 1 . . . . . 43 LEU N . 27280 1 190 . 1 1 45 45 LYS H H 1 9.231 0.020 . 1 . . . . . 44 LYS H . 27280 1 191 . 1 1 45 45 LYS C C 13 175.947 0.3 . 1 . . . . . 44 LYS C . 27280 1 192 . 1 1 45 45 LYS CA C 13 54.729 0.3 . 1 . . . . . 44 LYS CA . 27280 1 193 . 1 1 45 45 LYS CB C 13 33.108 0.3 . 1 . . . . . 44 LYS CB . 27280 1 194 . 1 1 45 45 LYS N N 15 126.182 0.3 . 1 . . . . . 44 LYS N . 27280 1 195 . 1 1 46 46 PHE H H 1 9.126 0.020 . 1 . . . . . 45 PHE H . 27280 1 196 . 1 1 46 46 PHE C C 13 174.383 0.3 . 1 . . . . . 45 PHE C . 27280 1 197 . 1 1 46 46 PHE CA C 13 58.548 0.3 . 1 . . . . . 45 PHE CA . 27280 1 198 . 1 1 46 46 PHE CB C 13 38.620 0.3 . 1 . . . . . 45 PHE CB . 27280 1 199 . 1 1 46 46 PHE N N 15 128.596 0.3 . 1 . . . . . 45 PHE N . 27280 1 200 . 1 1 47 47 LEU H H 1 8.321 0.020 . 1 . . . . . 46 LEU H . 27280 1 201 . 1 1 47 47 LEU C C 13 174.753 0.3 . 1 . . . . . 46 LEU C . 27280 1 202 . 1 1 47 47 LEU CA C 13 55.451 0.3 . 1 . . . . . 46 LEU CA . 27280 1 203 . 1 1 47 47 LEU CB C 13 41.550 0.3 . 1 . . . . . 46 LEU CB . 27280 1 204 . 1 1 47 47 LEU N N 15 126.389 0.3 . 1 . . . . . 46 LEU N . 27280 1 205 . 1 1 48 48 ILE H H 1 6.588 0.020 . 1 . . . . . 47 ILE H . 27280 1 206 . 1 1 48 48 ILE C C 13 169.977 0.3 . 1 . . . . . 47 ILE C . 27280 1 207 . 1 1 48 48 ILE CA C 13 60.443 0.3 . 1 . . . . . 47 ILE CA . 27280 1 208 . 1 1 48 48 ILE CB C 13 38.377 0.3 . 1 . . . . . 47 ILE CB . 27280 1 209 . 1 1 48 48 ILE N N 15 114.296 0.3 . 1 . . . . . 47 ILE N . 27280 1 210 . 1 1 49 49 GLN H H 1 7.876 0.020 . 1 . . . . . 48 GLN H . 27280 1 211 . 1 1 49 49 GLN C C 13 172.932 0.3 . 1 . . . . . 48 GLN C . 27280 1 212 . 1 1 49 49 GLN CA C 13 53.644 0.3 . 1 . . . . . 48 GLN CA . 27280 1 213 . 1 1 49 49 GLN CB C 13 24.058 0.3 . 1 . . . . . 48 GLN CB . 27280 1 214 . 1 1 49 49 GLN N N 15 122.969 0.3 . 1 . . . . . 48 GLN N . 27280 1 215 . 1 1 57 57 ASP H H 1 7.716 0.020 . 1 . . . . . 56 ASP H . 27280 1 216 . 1 1 57 57 ASP C C 13 173.831 0.3 . 1 . . . . . 56 ASP C . 27280 1 217 . 1 1 57 57 ASP CA C 13 53.862 0.3 . 1 . . . . . 56 ASP CA . 27280 1 218 . 1 1 57 57 ASP CB C 13 41.550 0.3 . 1 . . . . . 56 ASP CB . 27280 1 219 . 1 1 57 57 ASP N N 15 118.305 0.3 . 1 . . . . . 56 ASP N . 27280 1 220 . 1 1 58 58 LYS H H 1 8.318 0.020 . 1 . . . . . 57 LYS H . 27280 1 221 . 1 1 58 58 LYS C C 13 175.174 0.3 . 1 . . . . . 57 LYS C . 27280 1 222 . 1 1 58 58 LYS CA C 13 56.139 0.3 . 1 . . . . . 57 LYS CA . 27280 1 223 . 1 1 58 58 LYS CB C 13 33.467 0.3 . 1 . . . . . 57 LYS CB . 27280 1 224 . 1 1 58 58 LYS N N 15 121.688 0.3 . 1 . . . . . 57 LYS N . 27280 1 225 . 1 1 59 59 GLY H H 1 7.882 0.020 . 1 . . . . . 58 GLY H . 27280 1 226 . 1 1 59 59 GLY CA C 13 44.432 0.3 . 1 . . . . . 58 GLY CA . 27280 1 227 . 1 1 59 59 GLY N N 15 114.340 0.3 . 1 . . . . . 58 GLY N . 27280 1 228 . 1 1 60 60 PHE H H 1 8.673 0.020 . 1 . . . . . 59 PHE H . 27280 1 229 . 1 1 60 60 PHE CA C 13 57.320 0.3 . 1 . . . . . 59 PHE CA . 27280 1 230 . 1 1 60 60 PHE N N 15 124.708 0.3 . 1 . . . . . 59 PHE N . 27280 1 231 . 1 1 61 61 LEU H H 1 7.391 0.020 . 1 . . . . . 60 LEU H . 27280 1 232 . 1 1 61 61 LEU C C 13 174.185 0.3 . 1 . . . . . 60 LEU C . 27280 1 233 . 1 1 61 61 LEU CA C 13 52.266 0.3 . 1 . . . . . 60 LEU CA . 27280 1 234 . 1 1 61 61 LEU CB C 13 41.870 0.3 . 1 . . . . . 60 LEU CB . 27280 1 235 . 1 1 61 61 LEU N N 15 123.456 0.3 . 1 . . . . . 60 LEU N . 27280 1 236 . 1 1 64 64 ARG H H 1 6.615 0.020 . 1 . . . . . 63 ARG H . 27280 1 237 . 1 1 64 64 ARG C C 13 175.733 0.3 . 1 . . . . . 63 ARG C . 27280 1 238 . 1 1 64 64 ARG CA C 13 55.836 0.3 . 1 . . . . . 63 ARG CA . 27280 1 239 . 1 1 64 64 ARG CB C 13 28.330 0.3 . 1 . . . . . 63 ARG CB . 27280 1 240 . 1 1 64 64 ARG N N 15 115.756 0.3 . 1 . . . . . 63 ARG N . 27280 1 241 . 1 1 65 65 PHE H H 1 8.038 0.020 . 1 . . . . . 64 PHE H . 27280 1 242 . 1 1 65 65 PHE C C 13 173.777 0.3 . 1 . . . . . 64 PHE C . 27280 1 243 . 1 1 65 65 PHE CA C 13 52.458 0.3 . 1 . . . . . 64 PHE CA . 27280 1 244 . 1 1 65 65 PHE CB C 13 38.020 0.3 . 1 . . . . . 64 PHE CB . 27280 1 245 . 1 1 65 65 PHE N N 15 122.326 0.3 . 1 . . . . . 64 PHE N . 27280 1 246 . 1 1 66 66 SER H H 1 8.580 0.020 . 1 . . . . . 65 SER H . 27280 1 247 . 1 1 66 66 SER C C 13 172.800 0.3 . 1 . . . . . 65 SER C . 27280 1 248 . 1 1 66 66 SER CA C 13 56.422 0.3 . 1 . . . . . 65 SER CA . 27280 1 249 . 1 1 66 66 SER CB C 13 64.348 0.3 . 1 . . . . . 65 SER CB . 27280 1 250 . 1 1 66 66 SER N N 15 113.831 0.3 . 1 . . . . . 65 SER N . 27280 1 251 . 1 1 67 67 VAL H H 1 8.774 0.020 . 1 . . . . . 66 VAL H . 27280 1 252 . 1 1 67 67 VAL CA C 13 59.926 0.3 . 1 . . . . . 66 VAL CA . 27280 1 253 . 1 1 67 67 VAL CB C 13 31.161 0.3 . 1 . . . . . 66 VAL CB . 27280 1 254 . 1 1 67 67 VAL N N 15 125.360 0.3 . 1 . . . . . 66 VAL N . 27280 1 255 . 1 1 69 69 GLN H H 1 8.005 0.020 . 1 . . . . . 68 GLN H . 27280 1 256 . 1 1 69 69 GLN C C 13 174.614 0.3 . 1 . . . . . 68 GLN C . 27280 1 257 . 1 1 69 69 GLN CA C 13 53.149 0.3 . 1 . . . . . 68 GLN CA . 27280 1 258 . 1 1 69 69 GLN CB C 13 30.067 0.3 . 1 . . . . . 68 GLN CB . 27280 1 259 . 1 1 69 69 GLN N N 15 123.512 0.3 . 1 . . . . . 68 GLN N . 27280 1 260 . 1 1 70 70 PHE H H 1 8.006 0.020 . 1 . . . . . 69 PHE H . 27280 1 261 . 1 1 70 70 PHE C C 13 176.746 0.3 . 1 . . . . . 69 PHE C . 27280 1 262 . 1 1 70 70 PHE CA C 13 57.520 0.3 . 1 . . . . . 69 PHE CA . 27280 1 263 . 1 1 70 70 PHE CB C 13 39.949 0.3 . 1 . . . . . 69 PHE CB . 27280 1 264 . 1 1 70 70 PHE N N 15 124.949 0.3 . 1 . . . . . 69 PHE N . 27280 1 265 . 1 1 71 71 ASP H H 1 8.656 0.020 . 1 . . . . . 70 ASP H . 27280 1 266 . 1 1 71 71 ASP C C 13 175.973 0.3 . 1 . . . . . 70 ASP C . 27280 1 267 . 1 1 71 71 ASP CA C 13 56.895 0.3 . 1 . . . . . 70 ASP CA . 27280 1 268 . 1 1 71 71 ASP CB C 13 39.969 0.3 . 1 . . . . . 70 ASP CB . 27280 1 269 . 1 1 71 71 ASP N N 15 120.190 0.3 . 1 . . . . . 70 ASP N . 27280 1 270 . 1 1 72 72 ASP H H 1 7.621 0.020 . 1 . . . . . 71 ASP H . 27280 1 271 . 1 1 72 72 ASP C C 13 176.711 0.3 . 1 . . . . . 71 ASP C . 27280 1 272 . 1 1 72 72 ASP CA C 13 52.621 0.3 . 1 . . . . . 71 ASP CA . 27280 1 273 . 1 1 72 72 ASP CB C 13 38.539 0.3 . 1 . . . . . 71 ASP CB . 27280 1 274 . 1 1 72 72 ASP N N 15 115.702 0.3 . 1 . . . . . 71 ASP N . 27280 1 275 . 1 1 73 73 TYR H H 1 8.069 0.020 . 1 . . . . . 72 TYR H . 27280 1 276 . 1 1 73 73 TYR C C 13 175.112 0.3 . 1 . . . . . 72 TYR C . 27280 1 277 . 1 1 73 73 TYR CA C 13 58.203 0.3 . 1 . . . . . 72 TYR CA . 27280 1 278 . 1 1 73 73 TYR CB C 13 34.089 0.3 . 1 . . . . . 72 TYR CB . 27280 1 279 . 1 1 73 73 TYR N N 15 111.821 0.3 . 1 . . . . . 72 TYR N . 27280 1 280 . 1 1 74 74 HIS H H 1 8.307 0.020 . 1 . . . . . 73 HIS H . 27280 1 281 . 1 1 74 74 HIS C C 13 172.127 0.3 . 1 . . . . . 73 HIS C . 27280 1 282 . 1 1 74 74 HIS CA C 13 55.655 0.3 . 1 . . . . . 73 HIS CA . 27280 1 283 . 1 1 74 74 HIS CB C 13 25.484 0.3 . 1 . . . . . 73 HIS CB . 27280 1 284 . 1 1 74 74 HIS N N 15 118.294 0.3 . 1 . . . . . 73 HIS N . 27280 1 285 . 1 1 75 75 SER H H 1 8.883 0.020 . 1 . . . . . 74 SER H . 27280 1 286 . 1 1 75 75 SER C C 13 174.276 0.3 . 1 . . . . . 74 SER C . 27280 1 287 . 1 1 75 75 SER CA C 13 55.230 0.3 . 1 . . . . . 74 SER CA . 27280 1 288 . 1 1 75 75 SER CB C 13 65.498 0.3 . 1 . . . . . 74 SER CB . 27280 1 289 . 1 1 75 75 SER N N 15 115.276 0.3 . 1 . . . . . 74 SER N . 27280 1 290 . 1 1 76 76 GLU H H 1 8.783 0.020 . 1 . . . . . 75 GLU H . 27280 1 291 . 1 1 76 76 GLU C C 13 174.614 0.3 . 1 . . . . . 75 GLU C . 27280 1 292 . 1 1 76 76 GLU CA C 13 53.845 0.3 . 1 . . . . . 75 GLU CA . 27280 1 293 . 1 1 76 76 GLU CB C 13 32.012 0.3 . 1 . . . . . 75 GLU CB . 27280 1 294 . 1 1 76 76 GLU N N 15 125.099 0.3 . 1 . . . . . 75 GLU N . 27280 1 295 . 1 1 77 77 MET H H 1 9.125 0.020 . 1 . . . . . 76 MET H . 27280 1 296 . 1 1 77 77 MET C C 13 173.221 0.3 . 1 . . . . . 76 MET C . 27280 1 297 . 1 1 77 77 MET CA C 13 53.238 0.3 . 1 . . . . . 76 MET CA . 27280 1 298 . 1 1 77 77 MET CB C 13 33.199 0.3 . 1 . . . . . 76 MET CB . 27280 1 299 . 1 1 77 77 MET N N 15 124.981 0.3 . 1 . . . . . 76 MET N . 27280 1 300 . 1 1 78 78 ASN H H 1 9.212 0.020 . 1 . . . . . 77 ASN H . 27280 1 301 . 1 1 78 78 ASN C C 13 174.274 0.3 . 1 . . . . . 77 ASN C . 27280 1 302 . 1 1 78 78 ASN CA C 13 52.296 0.3 . 1 . . . . . 77 ASN CA . 27280 1 303 . 1 1 78 78 ASN CB C 13 39.281 0.3 . 1 . . . . . 77 ASN CB . 27280 1 304 . 1 1 78 78 ASN N N 15 127.390 0.3 . 1 . . . . . 77 ASN N . 27280 1 305 . 1 1 79 79 MET H H 1 8.695 0.020 . 1 . . . . . 78 MET H . 27280 1 306 . 1 1 79 79 MET C C 13 173.914 0.3 . 1 . . . . . 78 MET C . 27280 1 307 . 1 1 79 79 MET CA C 13 54.361 0.3 . 1 . . . . . 78 MET CA . 27280 1 308 . 1 1 79 79 MET CB C 13 33.866 0.3 . 1 . . . . . 78 MET CB . 27280 1 309 . 1 1 79 79 MET N N 15 124.291 0.3 . 1 . . . . . 78 MET N . 27280 1 310 . 1 1 80 80 SER H H 1 7.660 0.020 . 1 . . . . . 79 SER H . 27280 1 311 . 1 1 80 80 SER C C 13 170.936 0.3 . 1 . . . . . 79 SER C . 27280 1 312 . 1 1 80 80 SER CA C 13 56.542 0.3 . 1 . . . . . 79 SER CA . 27280 1 313 . 1 1 80 80 SER CB C 13 65.498 0.3 . 1 . . . . . 79 SER CB . 27280 1 314 . 1 1 80 80 SER N N 15 116.993 0.3 . 1 . . . . . 79 SER N . 27280 1 315 . 1 1 81 81 ALA H H 1 8.291 0.020 . 1 . . . . . 80 ALA H . 27280 1 316 . 1 1 81 81 ALA C C 13 177.315 0.3 . 1 . . . . . 80 ALA C . 27280 1 317 . 1 1 81 81 ALA CA C 13 51.343 0.3 . 1 . . . . . 80 ALA CA . 27280 1 318 . 1 1 81 81 ALA CB C 13 16.731 0.3 . 1 . . . . . 80 ALA CB . 27280 1 319 . 1 1 81 81 ALA N N 15 121.977 0.3 . 1 . . . . . 80 ALA N . 27280 1 320 . 1 1 82 82 LEU H H 1 7.868 0.020 . 1 . . . . . 81 LEU H . 27280 1 321 . 1 1 82 82 LEU C C 13 177.901 0.3 . 1 . . . . . 81 LEU C . 27280 1 322 . 1 1 82 82 LEU CA C 13 56.068 0.3 . 1 . . . . . 81 LEU CA . 27280 1 323 . 1 1 82 82 LEU CB C 13 42.425 0.3 . 1 . . . . . 81 LEU CB . 27280 1 324 . 1 1 82 82 LEU N N 15 115.017 0.3 . 1 . . . . . 81 LEU N . 27280 1 325 . 1 1 83 83 GLU H H 1 9.234 0.020 . 1 . . . . . 82 GLU H . 27280 1 326 . 1 1 83 83 GLU C C 13 177.589 0.3 . 1 . . . . . 82 GLU C . 27280 1 327 . 1 1 83 83 GLU CA C 13 53.135 0.3 . 1 . . . . . 82 GLU CA . 27280 1 328 . 1 1 83 83 GLU CB C 13 31.163 0.3 . 1 . . . . . 82 GLU CB . 27280 1 329 . 1 1 83 83 GLU N N 15 122.535 0.3 . 1 . . . . . 82 GLU N . 27280 1 330 . 1 1 84 84 LEU H H 1 9.096 0.020 . 1 . . . . . 83 LEU H . 27280 1 331 . 1 1 84 84 LEU C C 13 180.726 0.3 . 1 . . . . . 83 LEU C . 27280 1 332 . 1 1 84 84 LEU CA C 13 58.666 0.3 . 1 . . . . . 83 LEU CA . 27280 1 333 . 1 1 84 84 LEU CB C 13 38.835 0.3 . 1 . . . . . 83 LEU CB . 27280 1 334 . 1 1 84 84 LEU N N 15 123.056 0.3 . 1 . . . . . 83 LEU N . 27280 1 335 . 1 1 85 85 GLU H H 1 8.753 0.020 . 1 . . . . . 84 GLU H . 27280 1 336 . 1 1 85 85 GLU C C 13 176.035 0.3 . 1 . . . . . 84 GLU C . 27280 1 337 . 1 1 85 85 GLU CA C 13 57.636 0.3 . 1 . . . . . 84 GLU CA . 27280 1 338 . 1 1 85 85 GLU CB C 13 27.413 0.3 . 1 . . . . . 84 GLU CB . 27280 1 339 . 1 1 85 85 GLU N N 15 115.749 0.3 . 1 . . . . . 84 GLU N . 27280 1 340 . 1 1 86 86 ASP H H 1 7.957 0.020 . 1 . . . . . 85 ASP H . 27280 1 341 . 1 1 86 86 ASP C C 13 177.371 0.3 . 1 . . . . . 85 ASP C . 27280 1 342 . 1 1 86 86 ASP CA C 13 54.832 0.3 . 1 . . . . . 85 ASP CA . 27280 1 343 . 1 1 86 86 ASP CB C 13 40.365 0.3 . 1 . . . . . 85 ASP CB . 27280 1 344 . 1 1 86 86 ASP N N 15 119.357 0.3 . 1 . . . . . 85 ASP N . 27280 1 345 . 1 1 87 87 SER H H 1 7.652 0.020 . 1 . . . . . 86 SER H . 27280 1 346 . 1 1 87 87 SER CA C 13 59.928 0.3 . 1 . . . . . 86 SER CA . 27280 1 347 . 1 1 87 87 SER CB C 13 62.725 0.3 . 1 . . . . . 86 SER CB . 27280 1 348 . 1 1 87 87 SER N N 15 117.392 0.3 . 1 . . . . . 86 SER N . 27280 1 349 . 1 1 88 88 ALA H H 1 8.812 0.020 . 1 . . . . . 87 ALA H . 27280 1 350 . 1 1 88 88 ALA C C 13 175.129 0.3 . 1 . . . . . 87 ALA C . 27280 1 351 . 1 1 88 88 ALA CA C 13 51.585 0.3 . 1 . . . . . 87 ALA CA . 27280 1 352 . 1 1 88 88 ALA CB C 13 19.254 0.3 . 1 . . . . . 87 ALA CB . 27280 1 353 . 1 1 88 88 ALA N N 15 128.288 0.3 . 1 . . . . . 87 ALA N . 27280 1 354 . 1 1 89 89 MET H H 1 7.622 0.020 . 1 . . . . . 88 MET H . 27280 1 355 . 1 1 89 89 MET C C 13 175.373 0.3 . 1 . . . . . 88 MET C . 27280 1 356 . 1 1 89 89 MET CA C 13 52.929 0.3 . 1 . . . . . 88 MET CA . 27280 1 357 . 1 1 89 89 MET CB C 13 32.302 0.3 . 1 . . . . . 88 MET CB . 27280 1 358 . 1 1 89 89 MET N N 15 115.629 0.3 . 1 . . . . . 88 MET N . 27280 1 359 . 1 1 90 90 TYR H H 1 8.967 0.020 . 1 . . . . . 89 TYR H . 27280 1 360 . 1 1 90 90 TYR C C 13 176.572 0.3 . 1 . . . . . 89 TYR C . 27280 1 361 . 1 1 90 90 TYR CA C 13 56.856 0.3 . 1 . . . . . 89 TYR CA . 27280 1 362 . 1 1 90 90 TYR CB C 13 39.652 0.3 . 1 . . . . . 89 TYR CB . 27280 1 363 . 1 1 90 90 TYR N N 15 121.920 0.3 . 1 . . . . . 89 TYR N . 27280 1 364 . 1 1 91 91 PHE H H 1 9.259 0.020 . 1 . . . . . 90 PHE H . 27280 1 365 . 1 1 91 91 PHE C C 13 173.235 0.3 . 1 . . . . . 90 PHE C . 27280 1 366 . 1 1 91 91 PHE CA C 13 57.449 0.3 . 1 . . . . . 90 PHE CA . 27280 1 367 . 1 1 91 91 PHE CB C 13 42.990 0.3 . 1 . . . . . 90 PHE CB . 27280 1 368 . 1 1 91 91 PHE N N 15 123.247 0.3 . 1 . . . . . 90 PHE N . 27280 1 369 . 1 1 94 94 SER H H 1 9.097 0.020 . 1 . . . . . 93 SER H . 27280 1 370 . 1 1 94 94 SER C C 13 172.926 0.3 . 1 . . . . . 93 SER C . 27280 1 371 . 1 1 94 94 SER CA C 13 56.060 0.3 . 1 . . . . . 93 SER CA . 27280 1 372 . 1 1 94 94 SER CB C 13 68.433 0.3 . 1 . . . . . 93 SER CB . 27280 1 373 . 1 1 94 94 SER N N 15 116.317 0.3 . 1 . . . . . 93 SER N . 27280 1 374 . 1 1 95 95 SER H H 1 8.529 0.020 . 1 . . . . . 94 SER H . 27280 1 375 . 1 1 95 95 SER C C 13 173.353 0.3 . 1 . . . . . 94 SER C . 27280 1 376 . 1 1 95 95 SER CA C 13 56.670 0.3 . 1 . . . . . 94 SER CA . 27280 1 377 . 1 1 95 95 SER CB C 13 67.179 0.3 . 1 . . . . . 94 SER CB . 27280 1 378 . 1 1 95 95 SER N N 15 113.393 0.3 . 1 . . . . . 94 SER N . 27280 1 379 . 1 1 96 96 LEU H H 1 8.727 0.020 . 1 . . . . . 95 LEU H . 27280 1 380 . 1 1 96 96 LEU C C 13 177.333 0.3 . 1 . . . . . 95 LEU C . 27280 1 381 . 1 1 96 96 LEU CA C 13 58.350 0.3 . 1 . . . . . 95 LEU CA . 27280 1 382 . 1 1 96 96 LEU CB C 13 40.672 0.3 . 1 . . . . . 95 LEU CB . 27280 1 383 . 1 1 96 96 LEU N N 15 123.181 0.3 . 1 . . . . . 95 LEU N . 27280 1 384 . 1 1 97 97 ARG H H 1 7.525 0.020 . 1 . . . . . 96 ARG H . 27280 1 385 . 1 1 97 97 ARG C C 13 176.391 0.3 . 1 . . . . . 96 ARG C . 27280 1 386 . 1 1 97 97 ARG CA C 13 52.950 0.3 . 1 . . . . . 96 ARG CA . 27280 1 387 . 1 1 97 97 ARG CB C 13 31.710 0.3 . 1 . . . . . 96 ARG CB . 27280 1 388 . 1 1 97 97 ARG N N 15 114.415 0.3 . 1 . . . . . 96 ARG N . 27280 1 389 . 1 1 98 98 TRP HE1 H 1 10.012 0.020 . 1 . . . . . 97 TRP HE1 . 27280 1 390 . 1 1 98 98 TRP NE1 N 15 129.888 0.3 . 1 . . . . . 97 TRP NE1 . 27280 1 391 . 1 1 99 99 GLY H H 1 8.032 0.020 . 1 . . . . . 98 GLY H . 27280 1 392 . 1 1 99 99 GLY C C 13 173.939 0.3 . 1 . . . . . 98 GLY C . 27280 1 393 . 1 1 99 99 GLY CA C 13 44.504 0.3 . 1 . . . . . 98 GLY CA . 27280 1 394 . 1 1 99 99 GLY N N 15 116.441 0.3 . 1 . . . . . 98 GLY N . 27280 1 395 . 1 1 100 100 ASP H H 1 7.196 0.020 . 1 . . . . . 99 ASP H . 27280 1 396 . 1 1 100 100 ASP C C 13 175.183 0.3 . 1 . . . . . 99 ASP C . 27280 1 397 . 1 1 100 100 ASP CA C 13 52.989 0.3 . 1 . . . . . 99 ASP CA . 27280 1 398 . 1 1 100 100 ASP CB C 13 42.115 0.3 . 1 . . . . . 99 ASP CB . 27280 1 399 . 1 1 100 100 ASP N N 15 120.699 0.3 . 1 . . . . . 99 ASP N . 27280 1 400 . 1 1 101 101 GLU H H 1 8.467 0.020 . 1 . . . . . 100 GLU H . 27280 1 401 . 1 1 101 101 GLU C C 13 175.061 0.3 . 1 . . . . . 100 GLU C . 27280 1 402 . 1 1 101 101 GLU CA C 13 56.776 0.3 . 1 . . . . . 100 GLU CA . 27280 1 403 . 1 1 101 101 GLU CB C 13 28.595 0.3 . 1 . . . . . 100 GLU CB . 27280 1 404 . 1 1 101 101 GLU N N 15 120.355 0.3 . 1 . . . . . 100 GLU N . 27280 1 405 . 1 1 102 102 GLN H H 1 8.028 0.020 . 1 . . . . . 101 GLN H . 27280 1 406 . 1 1 102 102 GLN C C 13 175.531 0.3 . 1 . . . . . 101 GLN C . 27280 1 407 . 1 1 102 102 GLN CA C 13 54.392 0.3 . 1 . . . . . 101 GLN CA . 27280 1 408 . 1 1 102 102 GLN CB C 13 29.992 0.3 . 1 . . . . . 101 GLN CB . 27280 1 409 . 1 1 102 102 GLN N N 15 121.366 0.3 . 1 . . . . . 101 GLN N . 27280 1 410 . 1 1 103 103 TYR H H 1 9.159 0.020 . 1 . . . . . 102 TYR H . 27280 1 411 . 1 1 103 103 TYR C C 13 174.819 0.3 . 1 . . . . . 102 TYR C . 27280 1 412 . 1 1 103 103 TYR CA C 13 56.577 0.3 . 1 . . . . . 102 TYR CA . 27280 1 413 . 1 1 103 103 TYR CB C 13 38.651 0.3 . 1 . . . . . 102 TYR CB . 27280 1 414 . 1 1 103 103 TYR N N 15 123.611 0.3 . 1 . . . . . 102 TYR N . 27280 1 415 . 1 1 104 104 PHE H H 1 9.016 0.020 . 1 . . . . . 103 PHE H . 27280 1 416 . 1 1 104 104 PHE C C 13 178.796 0.3 . 1 . . . . . 103 PHE C . 27280 1 417 . 1 1 104 104 PHE CA C 13 58.697 0.3 . 1 . . . . . 103 PHE CA . 27280 1 418 . 1 1 104 104 PHE CB C 13 40.407 0.3 . 1 . . . . . 103 PHE CB . 27280 1 419 . 1 1 104 104 PHE N N 15 121.663 0.3 . 1 . . . . . 103 PHE N . 27280 1 420 . 1 1 105 105 GLY H H 1 9.308 0.020 . 1 . . . . . 104 GLY H . 27280 1 421 . 1 1 105 105 GLY C C 13 171.949 0.3 . 1 . . . . . 104 GLY C . 27280 1 422 . 1 1 105 105 GLY CA C 13 44.192 0.3 . 1 . . . . . 104 GLY CA . 27280 1 423 . 1 1 105 105 GLY N N 15 109.658 0.3 . 1 . . . . . 104 GLY N . 27280 1 424 . 1 1 107 107 GLY H H 1 7.090 0.020 . 1 . . . . . 106 GLY H . 27280 1 425 . 1 1 107 107 GLY C C 13 171.969 0.3 . 1 . . . . . 106 GLY C . 27280 1 426 . 1 1 107 107 GLY CA C 13 44.411 0.3 . 1 . . . . . 106 GLY CA . 27280 1 427 . 1 1 107 107 GLY N N 15 107.558 0.3 . 1 . . . . . 106 GLY N . 27280 1 428 . 1 1 108 108 THR H H 1 8.034 0.020 . 1 . . . . . 107 THR H . 27280 1 429 . 1 1 108 108 THR C C 13 172.998 0.3 . 1 . . . . . 107 THR C . 27280 1 430 . 1 1 108 108 THR CA C 13 61.348 0.3 . 1 . . . . . 107 THR CA . 27280 1 431 . 1 1 108 108 THR CB C 13 71.775 0.3 . 1 . . . . . 107 THR CB . 27280 1 432 . 1 1 108 108 THR N N 15 118.765 0.3 . 1 . . . . . 107 THR N . 27280 1 433 . 1 1 109 109 ARG H H 1 8.070 0.020 . 1 . . . . . 108 ARG H . 27280 1 434 . 1 1 109 109 ARG C C 13 172.837 0.3 . 1 . . . . . 108 ARG C . 27280 1 435 . 1 1 109 109 ARG CA C 13 55.390 0.3 . 1 . . . . . 108 ARG CA . 27280 1 436 . 1 1 109 109 ARG CB C 13 29.696 0.3 . 1 . . . . . 108 ARG CB . 27280 1 437 . 1 1 109 109 ARG N N 15 129.207 0.3 . 1 . . . . . 108 ARG N . 27280 1 438 . 1 1 110 110 LEU H H 1 8.570 0.020 . 1 . . . . . 109 LEU H . 27280 1 439 . 1 1 110 110 LEU C C 13 176.373 0.3 . 1 . . . . . 109 LEU C . 27280 1 440 . 1 1 110 110 LEU CA C 13 52.826 0.3 . 1 . . . . . 109 LEU CA . 27280 1 441 . 1 1 110 110 LEU CB C 13 44.133 0.3 . 1 . . . . . 109 LEU CB . 27280 1 442 . 1 1 110 110 LEU N N 15 130.942 0.3 . 1 . . . . . 109 LEU N . 27280 1 443 . 1 1 111 111 THR H H 1 8.910 0.020 . 1 . . . . . 110 THR H . 27280 1 444 . 1 1 111 111 THR C C 13 171.505 0.3 . 1 . . . . . 110 THR C . 27280 1 445 . 1 1 111 111 THR CA C 13 62.565 0.3 . 1 . . . . . 110 THR CA . 27280 1 446 . 1 1 111 111 THR CB C 13 68.437 0.3 . 1 . . . . . 110 THR CB . 27280 1 447 . 1 1 111 111 THR N N 15 125.478 0.3 . 1 . . . . . 110 THR N . 27280 1 448 . 1 1 112 112 VAL H H 1 8.599 0.020 . 1 . . . . . 111 VAL H . 27280 1 449 . 1 1 112 112 VAL C C 13 175.176 0.3 . 1 . . . . . 111 VAL C . 27280 1 450 . 1 1 112 112 VAL CA C 13 59.375 0.3 . 1 . . . . . 111 VAL CA . 27280 1 451 . 1 1 112 112 VAL CB C 13 31.664 0.3 . 1 . . . . . 111 VAL CB . 27280 1 452 . 1 1 112 112 VAL N N 15 129.015 0.3 . 1 . . . . . 111 VAL N . 27280 1 453 . 1 1 113 113 LEU H H 1 8.679 0.020 . 1 . . . . . 112 LEU H . 27280 1 454 . 1 1 113 113 LEU C C 13 175.425 0.3 . 1 . . . . . 112 LEU C . 27280 1 455 . 1 1 113 113 LEU CA C 13 57.404 0.3 . 1 . . . . . 112 LEU CA . 27280 1 456 . 1 1 113 113 LEU CB C 13 32.787 0.3 . 1 . . . . . 112 LEU CB . 27280 1 457 . 1 1 113 113 LEU N N 15 117.767 0.3 . 1 . . . . . 112 LEU N . 27280 1 458 . 1 1 114 114 GLU H H 1 9.165 0.020 . 1 . . . . . 113 GLU H . 27280 1 459 . 1 1 114 114 GLU C C 13 176.302 0.3 . 1 . . . . . 113 GLU C . 27280 1 460 . 1 1 114 114 GLU CA C 13 58.962 0.3 . 1 . . . . . 113 GLU CA . 27280 1 461 . 1 1 114 114 GLU CB C 13 29.161 0.3 . 1 . . . . . 113 GLU CB . 27280 1 462 . 1 1 114 114 GLU N N 15 122.421 0.3 . 1 . . . . . 113 GLU N . 27280 1 463 . 1 1 115 115 ASP H H 1 7.711 0.020 . 1 . . . . . 114 ASP H . 27280 1 464 . 1 1 115 115 ASP C C 13 176.732 0.3 . 1 . . . . . 114 ASP C . 27280 1 465 . 1 1 115 115 ASP CA C 13 52.209 0.3 . 1 . . . . . 114 ASP CA . 27280 1 466 . 1 1 115 115 ASP CB C 13 42.230 0.3 . 1 . . . . . 114 ASP CB . 27280 1 467 . 1 1 115 115 ASP N N 15 115.859 0.3 . 1 . . . . . 114 ASP N . 27280 1 468 . 1 1 116 116 LEU H H 1 9.531 0.020 . 1 . . . . . 115 LEU H . 27280 1 469 . 1 1 116 116 LEU C C 13 178.021 0.3 . 1 . . . . . 115 LEU C . 27280 1 470 . 1 1 116 116 LEU CA C 13 56.981 0.3 . 1 . . . . . 115 LEU CA . 27280 1 471 . 1 1 116 116 LEU CB C 13 41.172 0.3 . 1 . . . . . 115 LEU CB . 27280 1 472 . 1 1 116 116 LEU N N 15 128.476 0.3 . 1 . . . . . 115 LEU N . 27280 1 473 . 1 1 117 117 ARG H H 1 8.463 0.020 . 1 . . . . . 116 ARG H . 27280 1 474 . 1 1 117 117 ARG C C 13 177.359 0.3 . 1 . . . . . 116 ARG C . 27280 1 475 . 1 1 117 117 ARG CA C 13 57.245 0.3 . 1 . . . . . 116 ARG CA . 27280 1 476 . 1 1 117 117 ARG CB C 13 28.027 0.3 . 1 . . . . . 116 ARG CB . 27280 1 477 . 1 1 117 117 ARG N N 15 113.895 0.3 . 1 . . . . . 116 ARG N . 27280 1 478 . 1 1 118 118 ASN H H 1 7.679 0.020 . 1 . . . . . 117 ASN H . 27280 1 479 . 1 1 118 118 ASN C C 13 176.082 0.3 . 1 . . . . . 117 ASN C . 27280 1 480 . 1 1 118 118 ASN CA C 13 53.907 0.3 . 1 . . . . . 117 ASN CA . 27280 1 481 . 1 1 118 118 ASN CB C 13 38.852 0.3 . 1 . . . . . 117 ASN CB . 27280 1 482 . 1 1 118 118 ASN N N 15 113.490 0.3 . 1 . . . . . 117 ASN N . 27280 1 483 . 1 1 119 119 VAL H H 1 8.130 0.020 . 1 . . . . . 118 VAL H . 27280 1 484 . 1 1 119 119 VAL C C 13 174.987 0.3 . 1 . . . . . 118 VAL C . 27280 1 485 . 1 1 119 119 VAL CA C 13 63.906 0.3 . 1 . . . . . 118 VAL CA . 27280 1 486 . 1 1 119 119 VAL CB C 13 29.794 0.3 . 1 . . . . . 118 VAL CB . 27280 1 487 . 1 1 119 119 VAL N N 15 123.726 0.3 . 1 . . . . . 118 VAL N . 27280 1 488 . 1 1 120 120 THR H H 1 9.397 0.020 . 1 . . . . . 119 THR H . 27280 1 489 . 1 1 120 120 THR C C 13 169.970 0.3 . 1 . . . . . 119 THR C . 27280 1 490 . 1 1 120 120 THR CA C 13 58.644 0.3 . 1 . . . . . 119 THR CA . 27280 1 491 . 1 1 120 120 THR CB C 13 72.410 0.3 . 1 . . . . . 119 THR CB . 27280 1 492 . 1 1 120 120 THR N N 15 123.399 0.3 . 1 . . . . . 119 THR N . 27280 1 493 . 1 1 123 123 LYS H H 1 8.538 0.020 . 1 . . . . . 122 LYS H . 27280 1 494 . 1 1 123 123 LYS C C 13 176.746 0.3 . 1 . . . . . 122 LYS C . 27280 1 495 . 1 1 123 123 LYS CA C 13 55.221 0.3 . 1 . . . . . 122 LYS CA . 27280 1 496 . 1 1 123 123 LYS CB C 13 31.681 0.3 . 1 . . . . . 122 LYS CB . 27280 1 497 . 1 1 123 123 LYS N N 15 119.017 0.3 . 1 . . . . . 122 LYS N . 27280 1 498 . 1 1 124 124 VAL H H 1 8.697 0.020 . 1 . . . . . 123 VAL H . 27280 1 499 . 1 1 124 124 VAL C C 13 174.240 0.3 . 1 . . . . . 123 VAL C . 27280 1 500 . 1 1 124 124 VAL CA C 13 60.693 0.3 . 1 . . . . . 123 VAL CA . 27280 1 501 . 1 1 124 124 VAL CB C 13 33.178 0.3 . 1 . . . . . 123 VAL CB . 27280 1 502 . 1 1 124 124 VAL N N 15 126.101 0.3 . 1 . . . . . 123 VAL N . 27280 1 503 . 1 1 125 125 SER H H 1 8.768 0.020 . 1 . . . . . 124 SER H . 27280 1 504 . 1 1 125 125 SER C C 13 171.327 0.3 . 1 . . . . . 124 SER C . 27280 1 505 . 1 1 125 125 SER CA C 13 56.100 0.3 . 1 . . . . . 124 SER CA . 27280 1 506 . 1 1 125 125 SER CB C 13 65.550 0.3 . 1 . . . . . 124 SER CB . 27280 1 507 . 1 1 125 125 SER N N 15 120.854 0.3 . 1 . . . . . 124 SER N . 27280 1 508 . 1 1 126 126 LEU H H 1 8.651 0.020 . 1 . . . . . 125 LEU H . 27280 1 509 . 1 1 126 126 LEU C C 13 175.556 0.3 . 1 . . . . . 125 LEU C . 27280 1 510 . 1 1 126 126 LEU CA C 13 52.953 0.3 . 1 . . . . . 125 LEU CA . 27280 1 511 . 1 1 126 126 LEU CB C 13 44.251 0.3 . 1 . . . . . 125 LEU CB . 27280 1 512 . 1 1 126 126 LEU N N 15 123.838 0.3 . 1 . . . . . 125 LEU N . 27280 1 513 . 1 1 127 127 ARG H H 1 9.114 0.020 . 1 . . . . . 126 ARG H . 27280 1 514 . 1 1 127 127 ARG C C 13 175.360 0.3 . 1 . . . . . 126 ARG C . 27280 1 515 . 1 1 127 127 ARG CA C 13 54.229 0.3 . 1 . . . . . 126 ARG CA . 27280 1 516 . 1 1 127 127 ARG CB C 13 30.977 0.3 . 1 . . . . . 126 ARG CB . 27280 1 517 . 1 1 127 127 ARG N N 15 126.238 0.3 . 1 . . . . . 126 ARG N . 27280 1 518 . 1 1 128 128 GLU H H 1 8.607 0.020 . 1 . . . . . 127 GLU H . 27280 1 519 . 1 1 128 128 GLU C C 13 173.218 0.3 . 1 . . . . . 127 GLU C . 27280 1 520 . 1 1 128 128 GLU CA C 13 54.356 0.3 . 1 . . . . . 127 GLU CA . 27280 1 521 . 1 1 128 128 GLU CB C 13 27.522 0.3 . 1 . . . . . 127 GLU CB . 27280 1 522 . 1 1 128 128 GLU N N 15 125.409 0.3 . 1 . . . . . 127 GLU N . 27280 1 523 . 1 1 130 130 SER H H 1 8.540 0.020 . 1 . . . . . 129 SER H . 27280 1 524 . 1 1 130 130 SER C C 13 175.264 0.3 . 1 . . . . . 129 SER C . 27280 1 525 . 1 1 130 130 SER CA C 13 56.317 0.3 . 1 . . . . . 129 SER CA . 27280 1 526 . 1 1 130 130 SER CB C 13 63.836 0.3 . 1 . . . . . 129 SER CB . 27280 1 527 . 1 1 130 130 SER N N 15 118.546 0.3 . 1 . . . . . 129 SER N . 27280 1 528 . 1 1 131 131 LYS H H 1 8.747 0.020 . 1 . . . . . 130 LYS H . 27280 1 529 . 1 1 131 131 LYS C C 13 179.091 0.3 . 1 . . . . . 130 LYS C . 27280 1 530 . 1 1 131 131 LYS CA C 13 58.946 0.3 . 1 . . . . . 130 LYS CA . 27280 1 531 . 1 1 131 131 LYS CB C 13 30.974 0.3 . 1 . . . . . 130 LYS CB . 27280 1 532 . 1 1 131 131 LYS N N 15 124.727 0.3 . 1 . . . . . 130 LYS N . 27280 1 533 . 1 1 132 132 ALA H H 1 8.204 0.020 . 1 . . . . . 131 ALA H . 27280 1 534 . 1 1 132 132 ALA C C 13 179.589 0.3 . 1 . . . . . 131 ALA C . 27280 1 535 . 1 1 132 132 ALA CA C 13 53.974 0.3 . 1 . . . . . 131 ALA CA . 27280 1 536 . 1 1 132 132 ALA CB C 13 17.309 0.3 . 1 . . . . . 131 ALA CB . 27280 1 537 . 1 1 132 132 ALA N N 15 120.948 0.3 . 1 . . . . . 131 ALA N . 27280 1 538 . 1 1 133 133 GLU H H 1 7.452 0.020 . 1 . . . . . 132 GLU H . 27280 1 539 . 1 1 133 133 GLU C C 13 179.003 0.3 . 1 . . . . . 132 GLU C . 27280 1 540 . 1 1 133 133 GLU CA C 13 58.192 0.3 . 1 . . . . . 132 GLU CA . 27280 1 541 . 1 1 133 133 GLU CB C 13 28.667 0.3 . 1 . . . . . 132 GLU CB . 27280 1 542 . 1 1 133 133 GLU N N 15 119.146 0.3 . 1 . . . . . 132 GLU N . 27280 1 543 . 1 1 134 134 ILE H H 1 7.584 0.020 . 1 . . . . . 133 ILE H . 27280 1 544 . 1 1 134 134 ILE C C 13 178.290 0.3 . 1 . . . . . 133 ILE C . 27280 1 545 . 1 1 134 134 ILE CA C 13 63.141 0.3 . 1 . . . . . 133 ILE CA . 27280 1 546 . 1 1 134 134 ILE CB C 13 37.137 0.3 . 1 . . . . . 133 ILE CB . 27280 1 547 . 1 1 134 134 ILE N N 15 119.344 0.3 . 1 . . . . . 133 ILE N . 27280 1 548 . 1 1 135 135 ALA H H 1 7.846 0.020 . 1 . . . . . 134 ALA H . 27280 1 549 . 1 1 135 135 ALA C C 13 178.754 0.3 . 1 . . . . . 134 ALA C . 27280 1 550 . 1 1 135 135 ALA CA C 13 53.792 0.3 . 1 . . . . . 134 ALA CA . 27280 1 551 . 1 1 135 135 ALA CB C 13 17.432 0.3 . 1 . . . . . 134 ALA CB . 27280 1 552 . 1 1 135 135 ALA N N 15 122.078 0.3 . 1 . . . . . 134 ALA N . 27280 1 553 . 1 1 136 136 ASN H H 1 8.034 0.020 . 1 . . . . . 135 ASN H . 27280 1 554 . 1 1 136 136 ASN C C 13 176.070 0.3 . 1 . . . . . 135 ASN C . 27280 1 555 . 1 1 136 136 ASN CA C 13 54.129 0.3 . 1 . . . . . 135 ASN CA . 27280 1 556 . 1 1 136 136 ASN CB C 13 38.301 0.3 . 1 . . . . . 135 ASN CB . 27280 1 557 . 1 1 136 136 ASN N N 15 114.072 0.3 . 1 . . . . . 135 ASN N . 27280 1 558 . 1 1 139 139 LYS H H 1 7.536 0.020 . 1 . . . . . 138 LYS H . 27280 1 559 . 1 1 139 139 LYS C C 13 172.721 0.3 . 1 . . . . . 138 LYS C . 27280 1 560 . 1 1 139 139 LYS CA C 13 54.066 0.3 . 1 . . . . . 138 LYS CA . 27280 1 561 . 1 1 139 139 LYS CB C 13 34.705 0.3 . 1 . . . . . 138 LYS CB . 27280 1 562 . 1 1 139 139 LYS N N 15 118.625 0.3 . 1 . . . . . 138 LYS N . 27280 1 563 . 1 1 140 140 ALA H H 1 8.624 0.020 . 1 . . . . . 139 ALA H . 27280 1 564 . 1 1 140 140 ALA C C 13 174.759 0.3 . 1 . . . . . 139 ALA C . 27280 1 565 . 1 1 140 140 ALA CA C 13 49.838 0.3 . 1 . . . . . 139 ALA CA . 27280 1 566 . 1 1 140 140 ALA CB C 13 20.694 0.3 . 1 . . . . . 139 ALA CB . 27280 1 567 . 1 1 140 140 ALA N N 15 122.664 0.3 . 1 . . . . . 139 ALA N . 27280 1 568 . 1 1 141 141 THR H H 1 8.656 0.020 . 1 . . . . . 140 THR H . 27280 1 569 . 1 1 141 141 THR C C 13 174.334 0.3 . 1 . . . . . 140 THR C . 27280 1 570 . 1 1 141 141 THR CA C 13 61.060 0.3 . 1 . . . . . 140 THR CA . 27280 1 571 . 1 1 141 141 THR CB C 13 67.613 0.3 . 1 . . . . . 140 THR CB . 27280 1 572 . 1 1 141 141 THR N N 15 119.335 0.3 . 1 . . . . . 140 THR N . 27280 1 573 . 1 1 142 142 LEU H H 1 8.838 0.020 . 1 . . . . . 141 LEU H . 27280 1 574 . 1 1 142 142 LEU C C 13 175.373 0.3 . 1 . . . . . 141 LEU C . 27280 1 575 . 1 1 142 142 LEU CA C 13 54.479 0.3 . 1 . . . . . 141 LEU CA . 27280 1 576 . 1 1 142 142 LEU CB C 13 42.608 0.3 . 1 . . . . . 141 LEU CB . 27280 1 577 . 1 1 142 142 LEU N N 15 129.477 0.3 . 1 . . . . . 141 LEU N . 27280 1 578 . 1 1 143 143 GLN H H 1 7.943 0.020 . 1 . . . . . 142 GLN H . 27280 1 579 . 1 1 143 143 GLN C C 13 173.939 0.3 . 1 . . . . . 142 GLN C . 27280 1 580 . 1 1 143 143 GLN CA C 13 53.748 0.3 . 1 . . . . . 142 GLN CA . 27280 1 581 . 1 1 143 143 GLN CB C 13 30.823 0.3 . 1 . . . . . 142 GLN CB . 27280 1 582 . 1 1 143 143 GLN N N 15 118.945 0.3 . 1 . . . . . 142 GLN N . 27280 1 583 . 1 1 144 144 CYS H H 1 9.693 0.020 . 1 . . . . . 143 CYS H . 27280 1 584 . 1 1 144 144 CYS C C 13 172.215 0.3 . 1 . . . . . 143 CYS C . 27280 1 585 . 1 1 144 144 CYS CA C 13 52.563 0.3 . 1 . . . . . 143 CYS CA . 27280 1 586 . 1 1 144 144 CYS CB C 13 42.693 0.3 . 1 . . . . . 143 CYS CB . 27280 1 587 . 1 1 144 144 CYS N N 15 126.238 0.3 . 1 . . . . . 143 CYS N . 27280 1 588 . 1 1 145 145 GLN H H 1 8.860 0.020 . 1 . . . . . 144 GLN H . 27280 1 589 . 1 1 145 145 GLN C C 13 173.210 0.3 . 1 . . . . . 144 GLN C . 27280 1 590 . 1 1 145 145 GLN CA C 13 54.034 0.3 . 1 . . . . . 144 GLN CA . 27280 1 591 . 1 1 145 145 GLN CB C 13 31.049 0.3 . 1 . . . . . 144 GLN CB . 27280 1 592 . 1 1 145 145 GLN N N 15 125.067 0.3 . 1 . . . . . 144 GLN N . 27280 1 593 . 1 1 146 146 ALA H H 1 9.163 0.020 . 1 . . . . . 145 ALA H . 27280 1 594 . 1 1 146 146 ALA C C 13 175.929 0.3 . 1 . . . . . 145 ALA C . 27280 1 595 . 1 1 146 146 ALA CA C 13 48.840 0.3 . 1 . . . . . 145 ALA CA . 27280 1 596 . 1 1 146 146 ALA CB C 13 20.020 0.3 . 1 . . . . . 145 ALA CB . 27280 1 597 . 1 1 146 146 ALA N N 15 128.524 0.3 . 1 . . . . . 145 ALA N . 27280 1 598 . 1 1 147 147 ARG H H 1 9.198 0.020 . 1 . . . . . 146 ARG H . 27280 1 599 . 1 1 147 147 ARG C C 13 176.075 0.3 . 1 . . . . . 146 ARG C . 27280 1 600 . 1 1 147 147 ARG CA C 13 54.781 0.3 . 1 . . . . . 146 ARG CA . 27280 1 601 . 1 1 147 147 ARG CB C 13 32.711 0.3 . 1 . . . . . 146 ARG CB . 27280 1 602 . 1 1 147 147 ARG N N 15 120.773 0.3 . 1 . . . . . 146 ARG N . 27280 1 603 . 1 1 148 148 GLY H H 1 8.097 0.020 . 1 . . . . . 147 GLY H . 27280 1 604 . 1 1 148 148 GLY C C 13 174.099 0.3 . 1 . . . . . 147 GLY C . 27280 1 605 . 1 1 148 148 GLY CA C 13 46.220 0.3 . 1 . . . . . 147 GLY CA . 27280 1 606 . 1 1 148 148 GLY N N 15 110.234 0.3 . 1 . . . . . 147 GLY N . 27280 1 607 . 1 1 149 149 PHE H H 1 7.318 0.020 . 1 . . . . . 148 PHE H . 27280 1 608 . 1 1 149 149 PHE C C 13 174.106 0.3 . 1 . . . . . 148 PHE C . 27280 1 609 . 1 1 149 149 PHE CA C 13 53.112 0.3 . 1 . . . . . 148 PHE CA . 27280 1 610 . 1 1 149 149 PHE CB C 13 40.794 0.3 . 1 . . . . . 148 PHE CB . 27280 1 611 . 1 1 149 149 PHE N N 15 112.402 0.3 . 1 . . . . . 148 PHE N . 27280 1 612 . 1 1 150 150 PHE H H 1 9.204 0.020 . 1 . . . . . 149 PHE H . 27280 1 613 . 1 1 150 150 PHE C C 13 174.423 0.3 . 1 . . . . . 149 PHE C . 27280 1 614 . 1 1 150 150 PHE CA C 13 57.506 0.3 . 1 . . . . . 149 PHE CA . 27280 1 615 . 1 1 150 150 PHE CB C 13 41.877 0.3 . 1 . . . . . 149 PHE CB . 27280 1 616 . 1 1 150 150 PHE N N 15 120.046 0.3 . 1 . . . . . 149 PHE N . 27280 1 617 . 1 1 152 152 ASP H H 1 8.268 0.020 . 1 . . . . . 151 ASP H . 27280 1 618 . 1 1 152 152 ASP C C 13 175.520 0.3 . 1 . . . . . 151 ASP C . 27280 1 619 . 1 1 152 152 ASP CA C 13 53.376 0.3 . 1 . . . . . 151 ASP CA . 27280 1 620 . 1 1 152 152 ASP CB C 13 36.333 0.3 . 1 . . . . . 151 ASP CB . 27280 1 621 . 1 1 152 152 ASP N N 15 114.798 0.3 . 1 . . . . . 151 ASP N . 27280 1 622 . 1 1 153 153 HIS H H 1 7.815 0.020 . 1 . . . . . 152 HIS H . 27280 1 623 . 1 1 153 153 HIS C C 13 173.584 0.3 . 1 . . . . . 152 HIS C . 27280 1 624 . 1 1 153 153 HIS CA C 13 53.324 0.3 . 1 . . . . . 152 HIS CA . 27280 1 625 . 1 1 153 153 HIS CB C 13 27.450 0.3 . 1 . . . . . 152 HIS CB . 27280 1 626 . 1 1 153 153 HIS N N 15 124.357 0.3 . 1 . . . . . 152 HIS N . 27280 1 627 . 1 1 154 154 VAL H H 1 7.315 0.020 . 1 . . . . . 153 VAL H . 27280 1 628 . 1 1 154 154 VAL C C 13 175.556 0.3 . 1 . . . . . 153 VAL C . 27280 1 629 . 1 1 154 154 VAL CA C 13 57.753 0.3 . 1 . . . . . 153 VAL CA . 27280 1 630 . 1 1 154 154 VAL CB C 13 34.756 0.3 . 1 . . . . . 153 VAL CB . 27280 1 631 . 1 1 154 154 VAL N N 15 113.419 0.3 . 1 . . . . . 153 VAL N . 27280 1 632 . 1 1 155 155 GLU H H 1 8.201 0.020 . 1 . . . . . 154 GLU H . 27280 1 633 . 1 1 155 155 GLU C C 13 174.312 0.3 . 1 . . . . . 154 GLU C . 27280 1 634 . 1 1 155 155 GLU CA C 13 54.824 0.3 . 1 . . . . . 154 GLU CA . 27280 1 635 . 1 1 155 155 GLU CB C 13 32.383 0.3 . 1 . . . . . 154 GLU CB . 27280 1 636 . 1 1 155 155 GLU N N 15 120.506 0.3 . 1 . . . . . 154 GLU N . 27280 1 637 . 1 1 156 156 LEU H H 1 9.210 0.020 . 1 . . . . . 155 LEU H . 27280 1 638 . 1 1 156 156 LEU C C 13 175.531 0.3 . 1 . . . . . 155 LEU C . 27280 1 639 . 1 1 156 156 LEU CA C 13 54.422 0.3 . 1 . . . . . 155 LEU CA . 27280 1 640 . 1 1 156 156 LEU CB C 13 44.251 0.3 . 1 . . . . . 155 LEU CB . 27280 1 641 . 1 1 156 156 LEU N N 15 131.353 0.3 . 1 . . . . . 155 LEU N . 27280 1 642 . 1 1 157 157 SER H H 1 9.664 0.020 . 1 . . . . . 156 SER H . 27280 1 643 . 1 1 157 157 SER C C 13 171.380 0.3 . 1 . . . . . 156 SER C . 27280 1 644 . 1 1 157 157 SER CA C 13 56.370 0.3 . 1 . . . . . 156 SER CA . 27280 1 645 . 1 1 157 157 SER CB C 13 66.060 0.3 . 1 . . . . . 156 SER CB . 27280 1 646 . 1 1 157 157 SER N N 15 122.167 0.3 . 1 . . . . . 156 SER N . 27280 1 647 . 1 1 158 158 TRP H H 1 8.813 0.020 . 1 . . . . . 157 TRP H . 27280 1 648 . 1 1 158 158 TRP C C 13 175.165 0.3 . 1 . . . . . 157 TRP C . 27280 1 649 . 1 1 158 158 TRP CA C 13 56.081 0.3 . 1 . . . . . 157 TRP CA . 27280 1 650 . 1 1 158 158 TRP CB C 13 32.160 0.3 . 1 . . . . . 157 TRP CB . 27280 1 651 . 1 1 158 158 TRP N N 15 120.602 0.3 . 1 . . . . . 157 TRP N . 27280 1 652 . 1 1 159 159 TRP H H 1 9.346 0.020 . 1 . . . . . 158 TRP H . 27280 1 653 . 1 1 159 159 TRP C C 13 176.758 0.3 . 1 . . . . . 158 TRP C . 27280 1 654 . 1 1 159 159 TRP CA C 13 54.832 0.3 . 1 . . . . . 158 TRP CA . 27280 1 655 . 1 1 159 159 TRP CB C 13 29.490 0.3 . 1 . . . . . 158 TRP CB . 27280 1 656 . 1 1 159 159 TRP N N 15 120.964 0.3 . 1 . . . . . 158 TRP N . 27280 1 657 . 1 1 160 160 VAL H H 1 9.194 0.020 . 1 . . . . . 159 VAL H . 27280 1 658 . 1 1 160 160 VAL C C 13 176.422 0.3 . 1 . . . . . 159 VAL C . 27280 1 659 . 1 1 160 160 VAL CA C 13 59.894 0.3 . 1 . . . . . 159 VAL CA . 27280 1 660 . 1 1 160 160 VAL CB C 13 32.234 0.3 . 1 . . . . . 159 VAL CB . 27280 1 661 . 1 1 160 160 VAL N N 15 126.872 0.3 . 1 . . . . . 159 VAL N . 27280 1 662 . 1 1 161 161 ASN H H 1 9.689 0.020 . 1 . . . . . 160 ASN H . 27280 1 663 . 1 1 161 161 ASN C C 13 175.858 0.3 . 1 . . . . . 160 ASN C . 27280 1 664 . 1 1 161 161 ASN CA C 13 54.166 0.3 . 1 . . . . . 160 ASN CA . 27280 1 665 . 1 1 161 161 ASN CB C 13 36.091 0.3 . 1 . . . . . 160 ASN CB . 27280 1 666 . 1 1 161 161 ASN N N 15 128.739 0.3 . 1 . . . . . 160 ASN N . 27280 1 667 . 1 1 162 162 GLY H H 1 8.870 0.020 . 1 . . . . . 161 GLY H . 27280 1 668 . 1 1 162 162 GLY C C 13 173.672 0.3 . 1 . . . . . 161 GLY C . 27280 1 669 . 1 1 162 162 GLY CA C 13 45.409 0.3 . 1 . . . . . 161 GLY CA . 27280 1 670 . 1 1 162 162 GLY N N 15 102.357 0.3 . 1 . . . . . 161 GLY N . 27280 1 671 . 1 1 163 163 LYS H H 1 7.720 0.020 . 1 . . . . . 162 LYS H . 27280 1 672 . 1 1 163 163 LYS C C 13 174.134 0.3 . 1 . . . . . 162 LYS C . 27280 1 673 . 1 1 163 163 LYS CA C 13 53.836 0.3 . 1 . . . . . 162 LYS CA . 27280 1 674 . 1 1 163 163 LYS CB C 13 33.866 0.3 . 1 . . . . . 162 LYS CB . 27280 1 675 . 1 1 163 163 LYS N N 15 121.157 0.3 . 1 . . . . . 162 LYS N . 27280 1 676 . 1 1 164 164 GLU H H 1 8.052 0.020 . 1 . . . . . 163 GLU H . 27280 1 677 . 1 1 164 164 GLU C C 13 176.799 0.3 . 1 . . . . . 163 GLU C . 27280 1 678 . 1 1 164 164 GLU CA C 13 55.852 0.3 . 1 . . . . . 163 GLU CA . 27280 1 679 . 1 1 164 164 GLU CB C 13 27.413 0.3 . 1 . . . . . 163 GLU CB . 27280 1 680 . 1 1 164 164 GLU N N 15 127.841 0.3 . 1 . . . . . 163 GLU N . 27280 1 681 . 1 1 165 165 VAL H H 1 7.957 0.020 . 1 . . . . . 164 VAL H . 27280 1 682 . 1 1 165 165 VAL C C 13 173.726 0.3 . 1 . . . . . 164 VAL C . 27280 1 683 . 1 1 165 165 VAL CA C 13 59.693 0.3 . 1 . . . . . 164 VAL CA . 27280 1 684 . 1 1 165 165 VAL CB C 13 33.666 0.3 . 1 . . . . . 164 VAL CB . 27280 1 685 . 1 1 165 165 VAL N N 15 122.636 0.3 . 1 . . . . . 164 VAL N . 27280 1 686 . 1 1 168 168 GLY H H 1 8.715 0.020 . 1 . . . . . 167 GLY H . 27280 1 687 . 1 1 168 168 GLY CA C 13 45.440 0.3 . 1 . . . . . 167 GLY CA . 27280 1 688 . 1 1 168 168 GLY N N 15 112.780 0.3 . 1 . . . . . 167 GLY N . 27280 1 689 . 1 1 169 169 VAL H H 1 7.188 0.020 . 1 . . . . . 168 VAL H . 27280 1 690 . 1 1 169 169 VAL C C 13 176.758 0.3 . 1 . . . . . 168 VAL C . 27280 1 691 . 1 1 169 169 VAL CA C 13 61.053 0.3 . 1 . . . . . 168 VAL CA . 27280 1 692 . 1 1 169 169 VAL CB C 13 32.457 0.3 . 1 . . . . . 168 VAL CB . 27280 1 693 . 1 1 169 169 VAL N N 15 121.216 0.3 . 1 . . . . . 168 VAL N . 27280 1 694 . 1 1 170 170 SER H H 1 8.970 0.020 . 1 . . . . . 169 SER H . 27280 1 695 . 1 1 170 170 SER C C 13 173.275 0.3 . 1 . . . . . 169 SER C . 27280 1 696 . 1 1 170 170 SER CA C 13 56.259 0.3 . 1 . . . . . 169 SER CA . 27280 1 697 . 1 1 170 170 SER CB C 13 63.241 0.3 . 1 . . . . . 169 SER CB . 27280 1 698 . 1 1 170 170 SER N N 15 123.268 0.3 . 1 . . . . . 169 SER N . 27280 1 699 . 1 1 171 171 THR H H 1 9.160 0.020 . 1 . . . . . 170 THR H . 27280 1 700 . 1 1 171 171 THR C C 13 173.601 0.3 . 1 . . . . . 170 THR C . 27280 1 701 . 1 1 171 171 THR CA C 13 60.620 0.3 . 1 . . . . . 170 THR CA . 27280 1 702 . 1 1 171 171 THR CB C 13 69.330 0.3 . 1 . . . . . 170 THR CB . 27280 1 703 . 1 1 171 171 THR N N 15 127.401 0.3 . 1 . . . . . 170 THR N . 27280 1 704 . 1 1 172 172 ASP H H 1 8.419 0.020 . 1 . . . . . 171 ASP H . 27280 1 705 . 1 1 172 172 ASP C C 13 174.403 0.3 . 1 . . . . . 171 ASP C . 27280 1 706 . 1 1 172 172 ASP CA C 13 53.448 0.3 . 1 . . . . . 171 ASP CA . 27280 1 707 . 1 1 172 172 ASP CB C 13 39.593 0.3 . 1 . . . . . 171 ASP CB . 27280 1 708 . 1 1 172 172 ASP N N 15 130.204 0.3 . 1 . . . . . 171 ASP N . 27280 1 709 . 1 1 174 174 GLN H H 1 7.221 0.020 . 1 . . . . . 173 GLN H . 27280 1 710 . 1 1 174 174 GLN C C 13 174.063 0.3 . 1 . . . . . 173 GLN C . 27280 1 711 . 1 1 174 174 GLN CA C 13 53.448 0.3 . 1 . . . . . 173 GLN CA . 27280 1 712 . 1 1 174 174 GLN CB C 13 30.930 0.3 . 1 . . . . . 173 GLN CB . 27280 1 713 . 1 1 174 174 GLN N N 15 112.663 0.3 . 1 . . . . . 173 GLN N . 27280 1 714 . 1 1 175 175 ALA H H 1 8.950 0.020 . 1 . . . . . 174 ALA H . 27280 1 715 . 1 1 175 175 ALA C C 13 176.533 0.3 . 1 . . . . . 174 ALA C . 27280 1 716 . 1 1 175 175 ALA CA C 13 51.747 0.3 . 1 . . . . . 174 ALA CA . 27280 1 717 . 1 1 175 175 ALA CB C 13 18.735 0.3 . 1 . . . . . 174 ALA CB . 27280 1 718 . 1 1 175 175 ALA N N 15 125.044 0.3 . 1 . . . . . 174 ALA N . 27280 1 719 . 1 1 176 176 TYR H H 1 9.231 0.020 . 1 . . . . . 175 TYR H . 27280 1 720 . 1 1 176 176 TYR C C 13 174.667 0.3 . 1 . . . . . 175 TYR C . 27280 1 721 . 1 1 176 176 TYR CA C 13 56.100 0.3 . 1 . . . . . 175 TYR CA . 27280 1 722 . 1 1 176 176 TYR CB C 13 39.359 0.3 . 1 . . . . . 175 TYR CB . 27280 1 723 . 1 1 176 176 TYR N N 15 123.808 0.3 . 1 . . . . . 175 TYR N . 27280 1 724 . 1 1 177 177 LYS H H 1 8.330 0.020 . 1 . . . . . 176 LYS H . 27280 1 725 . 1 1 177 177 LYS C C 13 175.360 0.3 . 1 . . . . . 176 LYS C . 27280 1 726 . 1 1 177 177 LYS CA C 13 55.967 0.3 . 1 . . . . . 176 LYS CA . 27280 1 727 . 1 1 177 177 LYS CB C 13 30.676 0.3 . 1 . . . . . 176 LYS CB . 27280 1 728 . 1 1 177 177 LYS N N 15 126.888 0.3 . 1 . . . . . 176 LYS N . 27280 1 729 . 1 1 178 178 GLU H H 1 8.266 0.020 . 1 . . . . . 177 GLU H . 27280 1 730 . 1 1 178 178 GLU C C 13 176.373 0.3 . 1 . . . . . 177 GLU C . 27280 1 731 . 1 1 178 178 GLU CA C 13 56.884 0.3 . 1 . . . . . 177 GLU CA . 27280 1 732 . 1 1 178 178 GLU CB C 13 29.668 0.3 . 1 . . . . . 177 GLU CB . 27280 1 733 . 1 1 178 178 GLU N N 15 128.019 0.3 . 1 . . . . . 177 GLU N . 27280 1 734 . 1 1 179 179 SER H H 1 7.952 0.020 . 1 . . . . . 178 SER H . 27280 1 735 . 1 1 179 179 SER C C 13 173.676 0.3 . 1 . . . . . 178 SER C . 27280 1 736 . 1 1 179 179 SER CA C 13 56.635 0.3 . 1 . . . . . 178 SER CA . 27280 1 737 . 1 1 179 179 SER CB C 13 62.592 0.3 . 1 . . . . . 178 SER CB . 27280 1 738 . 1 1 179 179 SER N N 15 112.178 0.3 . 1 . . . . . 178 SER N . 27280 1 739 . 1 1 181 181 TYR H H 1 7.703 0.020 . 1 . . . . . 180 TYR H . 27280 1 740 . 1 1 181 181 TYR C C 13 174.081 0.3 . 1 . . . . . 180 TYR C . 27280 1 741 . 1 1 181 181 TYR CA C 13 54.371 0.3 . 1 . . . . . 180 TYR CA . 27280 1 742 . 1 1 181 181 TYR CB C 13 36.715 0.3 . 1 . . . . . 180 TYR CB . 27280 1 743 . 1 1 181 181 TYR N N 15 113.086 0.3 . 1 . . . . . 180 TYR N . 27280 1 744 . 1 1 182 182 SER H H 1 6.703 0.020 . 1 . . . . . 181 SER H . 27280 1 745 . 1 1 182 182 SER C C 13 172.180 0.3 . 1 . . . . . 181 SER C . 27280 1 746 . 1 1 182 182 SER CA C 13 58.114 0.3 . 1 . . . . . 181 SER CA . 27280 1 747 . 1 1 182 182 SER CB C 13 63.834 0.3 . 1 . . . . . 181 SER CB . 27280 1 748 . 1 1 182 182 SER N N 15 111.889 0.3 . 1 . . . . . 181 SER N . 27280 1 749 . 1 1 183 183 TYR H H 1 8.640 0.020 . 1 . . . . . 182 TYR H . 27280 1 750 . 1 1 183 183 TYR C C 13 173.868 0.3 . 1 . . . . . 182 TYR C . 27280 1 751 . 1 1 183 183 TYR CA C 13 56.578 0.3 . 1 . . . . . 182 TYR CA . 27280 1 752 . 1 1 183 183 TYR CB C 13 42.003 0.3 . 1 . . . . . 182 TYR CB . 27280 1 753 . 1 1 183 183 TYR N N 15 125.775 0.3 . 1 . . . . . 182 TYR N . 27280 1 754 . 1 1 184 184 SER H H 1 8.893 0.020 . 1 . . . . . 183 SER H . 27280 1 755 . 1 1 184 184 SER C C 13 172.731 0.3 . 1 . . . . . 183 SER C . 27280 1 756 . 1 1 184 184 SER CA C 13 56.196 0.3 . 1 . . . . . 183 SER CA . 27280 1 757 . 1 1 184 184 SER CB C 13 66.102 0.3 . 1 . . . . . 183 SER CB . 27280 1 758 . 1 1 184 184 SER N N 15 110.806 0.3 . 1 . . . . . 183 SER N . 27280 1 759 . 1 1 185 185 LEU H H 1 9.247 0.020 . 1 . . . . . 184 LEU H . 27280 1 760 . 1 1 185 185 LEU C C 13 174.241 0.3 . 1 . . . . . 184 LEU C . 27280 1 761 . 1 1 185 185 LEU CA C 13 55.276 0.3 . 1 . . . . . 184 LEU CA . 27280 1 762 . 1 1 185 185 LEU CB C 13 46.693 0.3 . 1 . . . . . 184 LEU CB . 27280 1 763 . 1 1 185 185 LEU N N 15 123.671 0.3 . 1 . . . . . 184 LEU N . 27280 1 764 . 1 1 186 186 SER H H 1 8.364 0.020 . 1 . . . . . 185 SER H . 27280 1 765 . 1 1 186 186 SER C C 13 172.180 0.3 . 1 . . . . . 185 SER C . 27280 1 766 . 1 1 186 186 SER CA C 13 56.452 0.3 . 1 . . . . . 185 SER CA . 27280 1 767 . 1 1 186 186 SER CB C 13 66.178 0.3 . 1 . . . . . 185 SER CB . 27280 1 768 . 1 1 186 186 SER N N 15 120.955 0.3 . 1 . . . . . 185 SER N . 27280 1 769 . 1 1 187 187 SER H H 1 8.762 0.020 . 1 . . . . . 186 SER H . 27280 1 770 . 1 1 187 187 SER C C 13 172.784 0.3 . 1 . . . . . 186 SER C . 27280 1 771 . 1 1 187 187 SER CA C 13 56.169 0.3 . 1 . . . . . 186 SER CA . 27280 1 772 . 1 1 187 187 SER CB C 13 63.886 0.3 . 1 . . . . . 186 SER CB . 27280 1 773 . 1 1 187 187 SER N N 15 113.301 0.3 . 1 . . . . . 186 SER N . 27280 1 774 . 1 1 188 188 ARG H H 1 8.741 0.020 . 1 . . . . . 187 ARG H . 27280 1 775 . 1 1 188 188 ARG C C 13 172.997 0.3 . 1 . . . . . 187 ARG C . 27280 1 776 . 1 1 188 188 ARG CA C 13 54.225 0.3 . 1 . . . . . 187 ARG CA . 27280 1 777 . 1 1 188 188 ARG CB C 13 32.107 0.3 . 1 . . . . . 187 ARG CB . 27280 1 778 . 1 1 188 188 ARG N N 15 128.029 0.3 . 1 . . . . . 187 ARG N . 27280 1 779 . 1 1 189 189 LEU H H 1 7.997 0.020 . 1 . . . . . 188 LEU H . 27280 1 780 . 1 1 189 189 LEU C C 13 173.619 0.3 . 1 . . . . . 188 LEU C . 27280 1 781 . 1 1 189 189 LEU CA C 13 52.412 0.3 . 1 . . . . . 188 LEU CA . 27280 1 782 . 1 1 189 189 LEU CB C 13 40.039 0.3 . 1 . . . . . 188 LEU CB . 27280 1 783 . 1 1 189 189 LEU N N 15 123.520 0.3 . 1 . . . . . 188 LEU N . 27280 1 784 . 1 1 190 190 ARG H H 1 8.250 0.020 . 1 . . . . . 189 ARG H . 27280 1 785 . 1 1 190 190 ARG C C 13 175.627 0.3 . 1 . . . . . 189 ARG C . 27280 1 786 . 1 1 190 190 ARG CA C 13 54.129 0.3 . 1 . . . . . 189 ARG CA . 27280 1 787 . 1 1 190 190 ARG CB C 13 30.596 0.3 . 1 . . . . . 189 ARG CB . 27280 1 788 . 1 1 190 190 ARG N N 15 127.663 0.3 . 1 . . . . . 189 ARG N . 27280 1 789 . 1 1 191 191 VAL H H 1 8.629 0.020 . 1 . . . . . 190 VAL H . 27280 1 790 . 1 1 191 191 VAL C C 13 174.579 0.3 . 1 . . . . . 190 VAL C . 27280 1 791 . 1 1 191 191 VAL CA C 13 57.801 0.3 . 1 . . . . . 190 VAL CA . 27280 1 792 . 1 1 191 191 VAL CB C 13 34.826 0.3 . 1 . . . . . 190 VAL CB . 27280 1 793 . 1 1 191 191 VAL N N 15 119.104 0.3 . 1 . . . . . 190 VAL N . 27280 1 794 . 1 1 192 192 SER H H 1 8.645 0.020 . 1 . . . . . 191 SER H . 27280 1 795 . 1 1 192 192 SER C C 13 175.574 0.3 . 1 . . . . . 191 SER C . 27280 1 796 . 1 1 192 192 SER CA C 13 57.991 0.3 . 1 . . . . . 191 SER CA . 27280 1 797 . 1 1 192 192 SER CB C 13 62.929 0.3 . 1 . . . . . 191 SER CB . 27280 1 798 . 1 1 192 192 SER N N 15 116.602 0.3 . 1 . . . . . 191 SER N . 27280 1 799 . 1 1 193 193 ALA H H 1 8.308 0.020 . 1 . . . . . 192 ALA H . 27280 1 800 . 1 1 193 193 ALA C C 13 178.487 0.3 . 1 . . . . . 192 ALA C . 27280 1 801 . 1 1 193 193 ALA CA C 13 55.401 0.3 . 1 . . . . . 192 ALA CA . 27280 1 802 . 1 1 193 193 ALA CB C 13 16.928 0.3 . 1 . . . . . 192 ALA CB . 27280 1 803 . 1 1 193 193 ALA N N 15 126.464 0.3 . 1 . . . . . 192 ALA N . 27280 1 804 . 1 1 194 194 THR H H 1 7.941 0.020 . 1 . . . . . 193 THR H . 27280 1 805 . 1 1 194 194 THR C C 13 175.645 0.3 . 1 . . . . . 193 THR C . 27280 1 806 . 1 1 194 194 THR CA C 13 64.653 0.3 . 1 . . . . . 193 THR CA . 27280 1 807 . 1 1 194 194 THR CB C 13 67.915 0.3 . 1 . . . . . 193 THR CB . 27280 1 808 . 1 1 194 194 THR N N 15 108.502 0.3 . 1 . . . . . 193 THR N . 27280 1 809 . 1 1 195 195 PHE H H 1 7.631 0.020 . 1 . . . . . 194 PHE H . 27280 1 810 . 1 1 195 195 PHE C C 13 178.256 0.3 . 1 . . . . . 194 PHE C . 27280 1 811 . 1 1 195 195 PHE CA C 13 60.599 0.3 . 1 . . . . . 194 PHE CA . 27280 1 812 . 1 1 195 195 PHE CB C 13 39.812 0.3 . 1 . . . . . 194 PHE CB . 27280 1 813 . 1 1 195 195 PHE N N 15 124.611 0.3 . 1 . . . . . 194 PHE N . 27280 1 814 . 1 1 196 196 TRP H H 1 7.746 0.020 . 1 . . . . . 195 TRP H . 27280 1 815 . 1 1 196 196 TRP C C 13 173.986 0.3 . 1 . . . . . 195 TRP C . 27280 1 816 . 1 1 196 196 TRP CA C 13 58.381 0.3 . 1 . . . . . 195 TRP CA . 27280 1 817 . 1 1 196 196 TRP CB C 13 29.161 0.3 . 1 . . . . . 195 TRP CB . 27280 1 818 . 1 1 196 196 TRP N N 15 119.288 0.3 . 1 . . . . . 195 TRP N . 27280 1 819 . 1 1 197 197 HIS H H 1 7.546 0.020 . 1 . . . . . 196 HIS H . 27280 1 820 . 1 1 197 197 HIS C C 13 174.099 0.3 . 1 . . . . . 196 HIS C . 27280 1 821 . 1 1 197 197 HIS CA C 13 53.907 0.3 . 1 . . . . . 196 HIS CA . 27280 1 822 . 1 1 197 197 HIS CB C 13 27.650 0.3 . 1 . . . . . 196 HIS CB . 27280 1 823 . 1 1 197 197 HIS N N 15 111.836 0.3 . 1 . . . . . 196 HIS N . 27280 1 824 . 1 1 198 198 ASN H H 1 6.844 0.020 . 1 . . . . . 197 ASN H . 27280 1 825 . 1 1 198 198 ASN C C 13 174.146 0.3 . 1 . . . . . 197 ASN C . 27280 1 826 . 1 1 198 198 ASN CA C 13 49.021 0.3 . 1 . . . . . 197 ASN CA . 27280 1 827 . 1 1 198 198 ASN CB C 13 38.135 0.3 . 1 . . . . . 197 ASN CB . 27280 1 828 . 1 1 198 198 ASN N N 15 118.364 0.3 . 1 . . . . . 197 ASN N . 27280 1 829 . 1 1 200 200 ARG H H 1 7.590 0.020 . 1 . . . . . 199 ARG H . 27280 1 830 . 1 1 200 200 ARG C C 13 176.817 0.3 . 1 . . . . . 199 ARG C . 27280 1 831 . 1 1 200 200 ARG CA C 13 55.473 0.3 . 1 . . . . . 199 ARG CA . 27280 1 832 . 1 1 200 200 ARG CB C 13 28.529 0.3 . 1 . . . . . 199 ARG CB . 27280 1 833 . 1 1 200 200 ARG N N 15 115.105 0.3 . 1 . . . . . 199 ARG N . 27280 1 834 . 1 1 201 201 ASN H H 1 7.629 0.020 . 1 . . . . . 200 ASN H . 27280 1 835 . 1 1 201 201 ASN C C 13 171.925 0.3 . 1 . . . . . 200 ASN C . 27280 1 836 . 1 1 201 201 ASN CA C 13 51.950 0.3 . 1 . . . . . 200 ASN CA . 27280 1 837 . 1 1 201 201 ASN CB C 13 37.745 0.3 . 1 . . . . . 200 ASN CB . 27280 1 838 . 1 1 201 201 ASN N N 15 117.872 0.3 . 1 . . . . . 200 ASN N . 27280 1 839 . 1 1 202 202 HIS H H 1 8.179 0.020 . 1 . . . . . 201 HIS H . 27280 1 840 . 1 1 202 202 HIS C C 13 172.998 0.3 . 1 . . . . . 201 HIS C . 27280 1 841 . 1 1 202 202 HIS CA C 13 55.005 0.3 . 1 . . . . . 201 HIS CA . 27280 1 842 . 1 1 202 202 HIS CB C 13 33.866 0.3 . 1 . . . . . 201 HIS CB . 27280 1 843 . 1 1 202 202 HIS N N 15 122.463 0.3 . 1 . . . . . 201 HIS N . 27280 1 844 . 1 1 203 203 PHE H H 1 8.433 0.020 . 1 . . . . . 202 PHE H . 27280 1 845 . 1 1 203 203 PHE C C 13 173.473 0.3 . 1 . . . . . 202 PHE C . 27280 1 846 . 1 1 203 203 PHE CA C 13 55.706 0.3 . 1 . . . . . 202 PHE CA . 27280 1 847 . 1 1 203 203 PHE CB C 13 41.136 0.3 . 1 . . . . . 202 PHE CB . 27280 1 848 . 1 1 203 203 PHE N N 15 124.379 0.3 . 1 . . . . . 202 PHE N . 27280 1 849 . 1 1 204 204 ARG H H 1 9.148 0.020 . 1 . . . . . 203 ARG H . 27280 1 850 . 1 1 204 204 ARG C C 13 173.354 0.3 . 1 . . . . . 203 ARG C . 27280 1 851 . 1 1 204 204 ARG CA C 13 54.294 0.3 . 1 . . . . . 203 ARG CA . 27280 1 852 . 1 1 204 204 ARG CB C 13 34.237 0.3 . 1 . . . . . 203 ARG CB . 27280 1 853 . 1 1 204 204 ARG N N 15 121.546 0.3 . 1 . . . . . 203 ARG N . 27280 1 854 . 1 1 205 205 CYS H H 1 8.820 0.020 . 1 . . . . . 204 CYS H . 27280 1 855 . 1 1 205 205 CYS C C 13 171.483 0.3 . 1 . . . . . 204 CYS C . 27280 1 856 . 1 1 205 205 CYS CA C 13 51.973 0.3 . 1 . . . . . 204 CYS CA . 27280 1 857 . 1 1 205 205 CYS CB C 13 42.322 0.3 . 1 . . . . . 204 CYS CB . 27280 1 858 . 1 1 205 205 CYS N N 15 127.291 0.3 . 1 . . . . . 204 CYS N . 27280 1 859 . 1 1 206 206 GLN H H 1 9.203 0.020 . 1 . . . . . 205 GLN H . 27280 1 860 . 1 1 206 206 GLN C C 13 173.414 0.3 . 1 . . . . . 205 GLN C . 27280 1 861 . 1 1 206 206 GLN CA C 13 53.804 0.3 . 1 . . . . . 205 GLN CA . 27280 1 862 . 1 1 206 206 GLN CB C 13 31.937 0.3 . 1 . . . . . 205 GLN CB . 27280 1 863 . 1 1 206 206 GLN N N 15 127.854 0.3 . 1 . . . . . 205 GLN N . 27280 1 864 . 1 1 207 207 VAL H H 1 9.081 0.020 . 1 . . . . . 206 VAL H . 27280 1 865 . 1 1 207 207 VAL C C 13 174.205 0.3 . 1 . . . . . 206 VAL C . 27280 1 866 . 1 1 207 207 VAL CA C 13 60.202 0.3 . 1 . . . . . 206 VAL CA . 27280 1 867 . 1 1 207 207 VAL CB C 13 31.344 0.3 . 1 . . . . . 206 VAL CB . 27280 1 868 . 1 1 207 207 VAL N N 15 127.293 0.3 . 1 . . . . . 206 VAL N . 27280 1 869 . 1 1 208 208 GLN H H 1 8.791 0.020 . 1 . . . . . 207 GLN H . 27280 1 870 . 1 1 208 208 GLN C C 13 173.493 0.3 . 1 . . . . . 207 GLN C . 27280 1 871 . 1 1 208 208 GLN CA C 13 54.401 0.3 . 1 . . . . . 207 GLN CA . 27280 1 872 . 1 1 208 208 GLN CB C 13 28.896 0.3 . 1 . . . . . 207 GLN CB . 27280 1 873 . 1 1 208 208 GLN N N 15 128.412 0.3 . 1 . . . . . 207 GLN N . 27280 1 874 . 1 1 209 209 PHE H H 1 8.742 0.020 . 1 . . . . . 208 PHE H . 27280 1 875 . 1 1 209 209 PHE C C 13 172.523 0.3 . 1 . . . . . 208 PHE C . 27280 1 876 . 1 1 209 209 PHE CA C 13 54.934 0.3 . 1 . . . . . 208 PHE CA . 27280 1 877 . 1 1 209 209 PHE CB C 13 40.724 0.3 . 1 . . . . . 208 PHE CB . 27280 1 878 . 1 1 209 209 PHE N N 15 128.038 0.3 . 1 . . . . . 208 PHE N . 27280 1 879 . 1 1 210 210 HIS H H 1 7.556 0.020 . 1 . . . . . 209 HIS H . 27280 1 880 . 1 1 210 210 HIS C C 13 173.414 0.3 . 1 . . . . . 209 HIS C . 27280 1 881 . 1 1 210 210 HIS CA C 13 55.141 0.3 . 1 . . . . . 209 HIS CA . 27280 1 882 . 1 1 210 210 HIS CB C 13 28.065 0.3 . 1 . . . . . 209 HIS CB . 27280 1 883 . 1 1 210 210 HIS N N 15 127.601 0.3 . 1 . . . . . 209 HIS N . 27280 1 884 . 1 1 211 211 GLY H H 1 7.620 0.020 . 1 . . . . . 210 GLY H . 27280 1 885 . 1 1 211 211 GLY C C 13 174.312 0.3 . 1 . . . . . 210 GLY C . 27280 1 886 . 1 1 211 211 GLY CA C 13 43.256 0.3 . 1 . . . . . 210 GLY CA . 27280 1 887 . 1 1 211 211 GLY N N 15 110.356 0.3 . 1 . . . . . 210 GLY N . 27280 1 888 . 1 1 212 212 LEU H H 1 8.272 0.020 . 1 . . . . . 211 LEU H . 27280 1 889 . 1 1 212 212 LEU C C 13 175.927 0.3 . 1 . . . . . 211 LEU C . 27280 1 890 . 1 1 212 212 LEU CA C 13 54.013 0.3 . 1 . . . . . 211 LEU CA . 27280 1 891 . 1 1 212 212 LEU CB C 13 41.110 0.3 . 1 . . . . . 211 LEU CB . 27280 1 892 . 1 1 212 212 LEU N N 15 122.066 0.3 . 1 . . . . . 211 LEU N . 27280 1 893 . 1 1 213 213 SER H H 1 9.247 0.020 . 1 . . . . . 212 SER H . 27280 1 894 . 1 1 213 213 SER C C 13 176.000 0.3 . 1 . . . . . 212 SER C . 27280 1 895 . 1 1 213 213 SER CA C 13 56.533 0.3 . 1 . . . . . 212 SER CA . 27280 1 896 . 1 1 213 213 SER CB C 13 64.791 0.3 . 1 . . . . . 212 SER CB . 27280 1 897 . 1 1 213 213 SER N N 15 116.581 0.3 . 1 . . . . . 212 SER N . 27280 1 898 . 1 1 215 215 GLU H H 1 8.341 0.020 . 1 . . . . . 214 GLU H . 27280 1 899 . 1 1 215 215 GLU C C 13 176.912 0.3 . 1 . . . . . 214 GLU C . 27280 1 900 . 1 1 215 215 GLU CA C 13 56.640 0.3 . 1 . . . . . 214 GLU CA . 27280 1 901 . 1 1 215 215 GLU CB C 13 28.677 0.3 . 1 . . . . . 214 GLU CB . 27280 1 902 . 1 1 215 215 GLU N N 15 115.229 0.3 . 1 . . . . . 214 GLU N . 27280 1 903 . 1 1 216 216 ASP H H 1 7.189 0.020 . 1 . . . . . 215 ASP H . 27280 1 904 . 1 1 216 216 ASP C C 13 175.427 0.3 . 1 . . . . . 215 ASP C . 27280 1 905 . 1 1 216 216 ASP CA C 13 54.780 0.3 . 1 . . . . . 215 ASP CA . 27280 1 906 . 1 1 216 216 ASP CB C 13 41.507 0.3 . 1 . . . . . 215 ASP CB . 27280 1 907 . 1 1 216 216 ASP N N 15 120.404 0.3 . 1 . . . . . 215 ASP N . 27280 1 908 . 1 1 217 217 LYS H H 1 8.478 0.020 . 1 . . . . . 216 LYS H . 27280 1 909 . 1 1 217 217 LYS C C 13 175.452 0.3 . 1 . . . . . 216 LYS C . 27280 1 910 . 1 1 217 217 LYS CA C 13 55.760 0.3 . 1 . . . . . 216 LYS CA . 27280 1 911 . 1 1 217 217 LYS CB C 13 31.668 0.3 . 1 . . . . . 216 LYS CB . 27280 1 912 . 1 1 217 217 LYS N N 15 123.490 0.3 . 1 . . . . . 216 LYS N . 27280 1 913 . 1 1 218 218 TRP H H 1 8.217 0.020 . 1 . . . . . 217 TRP H . 27280 1 914 . 1 1 218 218 TRP C C 13 173.813 0.3 . 1 . . . . . 217 TRP C . 27280 1 915 . 1 1 218 218 TRP CA C 13 53.162 0.3 . 1 . . . . . 217 TRP CA . 27280 1 916 . 1 1 218 218 TRP CB C 13 32.289 0.3 . 1 . . . . . 217 TRP CB . 27280 1 917 . 1 1 218 218 TRP N N 15 123.606 0.3 . 1 . . . . . 217 TRP N . 27280 1 918 . 1 1 221 221 GLY H H 1 8.590 0.020 . 1 . . . . . 220 GLY H . 27280 1 919 . 1 1 221 221 GLY C C 13 173.797 0.3 . 1 . . . . . 220 GLY C . 27280 1 920 . 1 1 221 221 GLY CA C 13 45.346 0.3 . 1 . . . . . 220 GLY CA . 27280 1 921 . 1 1 221 221 GLY N N 15 109.681 0.3 . 1 . . . . . 220 GLY N . 27280 1 922 . 1 1 222 222 SER H H 1 7.648 0.020 . 1 . . . . . 221 SER H . 27280 1 923 . 1 1 222 222 SER C C 13 172.198 0.3 . 1 . . . . . 221 SER C . 27280 1 924 . 1 1 222 222 SER CA C 13 55.655 0.3 . 1 . . . . . 221 SER CA . 27280 1 925 . 1 1 222 222 SER CB C 13 62.944 0.3 . 1 . . . . . 221 SER CB . 27280 1 926 . 1 1 222 222 SER N N 15 115.704 0.3 . 1 . . . . . 221 SER N . 27280 1 927 . 1 1 224 224 LYS H H 1 8.377 0.020 . 1 . . . . . 223 LYS H . 27280 1 928 . 1 1 224 224 LYS C C 13 176.517 0.3 . 1 . . . . . 223 LYS C . 27280 1 929 . 1 1 224 224 LYS CA C 13 53.083 0.3 . 1 . . . . . 223 LYS CA . 27280 1 930 . 1 1 224 224 LYS CB C 13 32.658 0.3 . 1 . . . . . 223 LYS CB . 27280 1 931 . 1 1 224 224 LYS N N 15 127.731 0.3 . 1 . . . . . 223 LYS N . 27280 1 932 . 1 1 226 226 VAL H H 1 7.537 0.020 . 1 . . . . . 225 VAL H . 27280 1 933 . 1 1 226 226 VAL C C 13 175.645 0.3 . 1 . . . . . 225 VAL C . 27280 1 934 . 1 1 226 226 VAL CA C 13 59.752 0.3 . 1 . . . . . 225 VAL CA . 27280 1 935 . 1 1 226 226 VAL CB C 13 32.086 0.3 . 1 . . . . . 225 VAL CB . 27280 1 936 . 1 1 226 226 VAL N N 15 117.424 0.3 . 1 . . . . . 225 VAL N . 27280 1 937 . 1 1 227 227 THR H H 1 7.703 0.020 . 1 . . . . . 226 THR H . 27280 1 938 . 1 1 227 227 THR C C 13 174.614 0.3 . 1 . . . . . 226 THR C . 27280 1 939 . 1 1 227 227 THR CA C 13 62.850 0.3 . 1 . . . . . 226 THR CA . 27280 1 940 . 1 1 227 227 THR CB C 13 68.437 0.3 . 1 . . . . . 226 THR CB . 27280 1 941 . 1 1 227 227 THR N N 15 117.727 0.3 . 1 . . . . . 226 THR N . 27280 1 942 . 1 1 228 228 GLN H H 1 8.704 0.020 . 1 . . . . . 227 GLN H . 27280 1 943 . 1 1 228 228 GLN C C 13 172.038 0.3 . 1 . . . . . 227 GLN C . 27280 1 944 . 1 1 228 228 GLN CA C 13 54.215 0.3 . 1 . . . . . 227 GLN CA . 27280 1 945 . 1 1 228 228 GLN CB C 13 31.492 0.3 . 1 . . . . . 227 GLN CB . 27280 1 946 . 1 1 228 228 GLN N N 15 122.292 0.3 . 1 . . . . . 227 GLN N . 27280 1 947 . 1 1 229 229 ASN H H 1 8.520 0.020 . 1 . . . . . 228 ASN H . 27280 1 948 . 1 1 229 229 ASN C C 13 174.525 0.3 . 1 . . . . . 228 ASN C . 27280 1 949 . 1 1 229 229 ASN CA C 13 51.240 0.3 . 1 . . . . . 228 ASN CA . 27280 1 950 . 1 1 229 229 ASN CB C 13 39.207 0.3 . 1 . . . . . 228 ASN CB . 27280 1 951 . 1 1 229 229 ASN N N 15 119.424 0.3 . 1 . . . . . 228 ASN N . 27280 1 952 . 1 1 230 230 ILE H H 1 8.905 0.020 . 1 . . . . . 229 ILE H . 27280 1 953 . 1 1 230 230 ILE C C 13 174.614 0.3 . 1 . . . . . 229 ILE C . 27280 1 954 . 1 1 230 230 ILE CA C 13 59.922 0.3 . 1 . . . . . 229 ILE CA . 27280 1 955 . 1 1 230 230 ILE CB C 13 39.355 0.3 . 1 . . . . . 229 ILE CB . 27280 1 956 . 1 1 230 230 ILE N N 15 126.461 0.3 . 1 . . . . . 229 ILE N . 27280 1 957 . 1 1 231 231 SER H H 1 8.475 0.020 . 1 . . . . . 230 SER H . 27280 1 958 . 1 1 231 231 SER C C 13 172.944 0.3 . 1 . . . . . 230 SER C . 27280 1 959 . 1 1 231 231 SER CA C 13 56.674 0.3 . 1 . . . . . 230 SER CA . 27280 1 960 . 1 1 231 231 SER CB C 13 66.251 0.3 . 1 . . . . . 230 SER CB . 27280 1 961 . 1 1 231 231 SER N N 15 120.413 0.3 . 1 . . . . . 230 SER N . 27280 1 962 . 1 1 232 232 ALA H H 1 8.502 0.020 . 1 . . . . . 231 ALA H . 27280 1 963 . 1 1 232 232 ALA C C 13 175.112 0.3 . 1 . . . . . 231 ALA C . 27280 1 964 . 1 1 232 232 ALA CA C 13 50.822 0.3 . 1 . . . . . 231 ALA CA . 27280 1 965 . 1 1 232 232 ALA CB C 13 22.104 0.3 . 1 . . . . . 231 ALA CB . 27280 1 966 . 1 1 232 232 ALA N N 15 123.650 0.3 . 1 . . . . . 231 ALA N . 27280 1 967 . 1 1 233 233 GLU H H 1 8.702 0.020 . 1 . . . . . 232 GLU H . 27280 1 968 . 1 1 233 233 GLU C C 13 174.490 0.3 . 1 . . . . . 232 GLU C . 27280 1 969 . 1 1 233 233 GLU CA C 13 53.725 0.3 . 1 . . . . . 232 GLU CA . 27280 1 970 . 1 1 233 233 GLU CB C 13 33.673 0.3 . 1 . . . . . 232 GLU CB . 27280 1 971 . 1 1 233 233 GLU N N 15 118.477 0.3 . 1 . . . . . 232 GLU N . 27280 1 972 . 1 1 234 234 ALA H H 1 8.932 0.020 . 1 . . . . . 233 ALA H . 27280 1 973 . 1 1 234 234 ALA C C 13 174.779 0.3 . 1 . . . . . 233 ALA C . 27280 1 974 . 1 1 234 234 ALA CA C 13 51.496 0.3 . 1 . . . . . 233 ALA CA . 27280 1 975 . 1 1 234 234 ALA CB C 13 21.543 0.3 . 1 . . . . . 233 ALA CB . 27280 1 976 . 1 1 234 234 ALA N N 15 121.861 0.3 . 1 . . . . . 233 ALA N . 27280 1 977 . 1 1 235 235 TRP H H 1 8.438 0.020 . 1 . . . . . 234 TRP H . 27280 1 978 . 1 1 235 235 TRP C C 13 176.204 0.3 . 1 . . . . . 234 TRP C . 27280 1 979 . 1 1 235 235 TRP CA C 13 56.106 0.3 . 1 . . . . . 234 TRP CA . 27280 1 980 . 1 1 235 235 TRP CB C 13 30.973 0.3 . 1 . . . . . 234 TRP CB . 27280 1 981 . 1 1 235 235 TRP N N 15 121.417 0.3 . 1 . . . . . 234 TRP N . 27280 1 982 . 1 1 236 236 GLY H H 1 8.497 0.020 . 1 . . . . . 235 GLY H . 27280 1 983 . 1 1 236 236 GLY C C 13 172.008 0.3 . 1 . . . . . 235 GLY C . 27280 1 984 . 1 1 236 236 GLY CA C 13 45.440 0.3 . 1 . . . . . 235 GLY CA . 27280 1 985 . 1 1 236 236 GLY N N 15 105.174 0.3 . 1 . . . . . 235 GLY N . 27280 1 986 . 1 1 237 237 ARG H H 1 6.053 0.020 . 1 . . . . . 236 ARG H . 27280 1 987 . 1 1 237 237 ARG C C 13 174.543 0.3 . 1 . . . . . 236 ARG C . 27280 1 988 . 1 1 237 237 ARG CA C 13 53.976 0.3 . 1 . . . . . 236 ARG CA . 27280 1 989 . 1 1 237 237 ARG CB C 13 31.328 0.3 . 1 . . . . . 236 ARG CB . 27280 1 990 . 1 1 237 237 ARG N N 15 116.793 0.3 . 1 . . . . . 236 ARG N . 27280 1 991 . 1 1 238 238 ALA H H 1 8.409 0.020 . 1 . . . . . 237 ALA H . 27280 1 992 . 1 1 238 238 ALA C C 13 177.492 0.3 . 1 . . . . . 237 ALA C . 27280 1 993 . 1 1 238 238 ALA CA C 13 51.821 0.3 . 1 . . . . . 237 ALA CA . 27280 1 994 . 1 1 238 238 ALA CB C 13 17.964 0.3 . 1 . . . . . 237 ALA CB . 27280 1 995 . 1 1 238 238 ALA N N 15 126.165 0.3 . 1 . . . . . 237 ALA N . 27280 1 996 . 1 1 239 239 ASP H H 1 8.221 0.020 . 1 . . . . . 238 ASP H . 27280 1 997 . 1 1 239 239 ASP C C 13 175.023 0.3 . 1 . . . . . 238 ASP C . 27280 1 998 . 1 1 239 239 ASP CA C 13 53.519 0.3 . 1 . . . . . 238 ASP CA . 27280 1 999 . 1 1 239 239 ASP CB C 13 39.852 0.3 . 1 . . . . . 238 ASP CB . 27280 1 1000 . 1 1 239 239 ASP N N 15 120.278 0.3 . 1 . . . . . 238 ASP N . 27280 1 1001 . 1 1 240 240 SER H H 1 7.613 0.020 . 1 . . . . . 239 SER H . 27280 1 1002 . 1 1 240 240 SER C C 13 178.541 0.3 . 1 . . . . . 239 SER C . 27280 1 1003 . 1 1 240 240 SER CA C 13 59.256 0.3 . 1 . . . . . 239 SER CA . 27280 1 1004 . 1 1 240 240 SER CB C 13 64.023 0.3 . 1 . . . . . 239 SER CB . 27280 1 1005 . 1 1 240 240 SER N N 15 121.101 0.3 . 1 . . . . . 239 SER N . 27280 1 stop_ save_