data_27761 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27761 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for ARNO Sec7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-01-22 _Entry.Accession_date 2019-01-22 _Entry.Last_release_date 2019-01-22 _Entry.Original_release_date 2019-01-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Manuel Etzkorn . . . . 27761 2 Aldino Viegas . . . . 27761 3 Dongsheng Yin . M. . . 27761 4 Jan Borggraefe . . . . 27761 5 Thibault Viennet . . . . 27761 6 Marcel Falke . . . . 27761 7 Anton Schmitz . . . . 27761 8 Michael Famulok . . . . 27761 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27761 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 483 27761 '15N chemical shifts' 150 27761 '1H chemical shifts' 150 27761 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 . . 2020-02-28 . original BMRB . 27761 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27761 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31780432 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Molecular Architecture of a Network of Potential Intracellular EGFR Modulators: ARNO, CaM, Phospholipids, and the Juxtamembrane Segment ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 28 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _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 54 _Citation.Page_last 62.e5 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Aldino Viegas . . . . 27761 1 2 Dongsheng Yin . M. . . 27761 1 3 Jan Borggraefe . . . . 27761 1 4 Thibault Viennet . . . . 27761 1 5 Marcel Falke . . . . 27761 1 6 Anton Schmitz . . . . 27761 1 7 Michael Famulok . . . . 27761 1 8 Manuel Etzkorn . . . . 27761 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ARNO-Sec7 27761 1 Cytohesin 27761 1 EGFR 27761 1 Juxtamembrane 27761 1 NMR 27761 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27761 _Assembly.ID 1 _Assembly.Name Sec7 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ARNO-Sec7 1 $Sec7 A . yes native no no . . . 27761 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sec7 _Entity.Sf_category entity _Entity.Sf_framecode Sec7 _Entity.Entry_ID 27761 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Sec7 _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 ; SETRNRKMAMGRKKFNMDPK KGIQFLVENELLQNTPEEIA RFLYKGEGLNKTAIGDYLGE REELNLAVLHAFVDLHEFTD LNLVQALRQFLWSFRLPGEA QKIDRMMEAFAQRYCLCNPG VFQSTDTCYVLSFAVIMLNT SLHNPNVRDKPGLERFVAMN RGINEGGDLPEELLRNLYDS IRNEPFKIP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 58-60 represent a non-native tag' _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 189 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Sec7 domain of the human protein ARNO' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'guanine nucleotide exchange factors' 27761 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 58 SER . 27761 1 2 59 GLU . 27761 1 3 60 THR . 27761 1 4 61 ARG . 27761 1 5 62 ASN . 27761 1 6 63 ARG . 27761 1 7 64 LYS . 27761 1 8 65 MET . 27761 1 9 66 ALA . 27761 1 10 67 MET . 27761 1 11 68 GLY . 27761 1 12 69 ARG . 27761 1 13 70 LYS . 27761 1 14 71 LYS . 27761 1 15 72 PHE . 27761 1 16 73 ASN . 27761 1 17 74 MET . 27761 1 18 75 ASP . 27761 1 19 76 PRO . 27761 1 20 77 LYS . 27761 1 21 78 LYS . 27761 1 22 79 GLY . 27761 1 23 80 ILE . 27761 1 24 81 GLN . 27761 1 25 82 PHE . 27761 1 26 83 LEU . 27761 1 27 84 VAL . 27761 1 28 85 GLU . 27761 1 29 86 ASN . 27761 1 30 87 GLU . 27761 1 31 88 LEU . 27761 1 32 89 LEU . 27761 1 33 90 GLN . 27761 1 34 91 ASN . 27761 1 35 92 THR . 27761 1 36 93 PRO . 27761 1 37 94 GLU . 27761 1 38 95 GLU . 27761 1 39 96 ILE . 27761 1 40 97 ALA . 27761 1 41 98 ARG . 27761 1 42 99 PHE . 27761 1 43 100 LEU . 27761 1 44 101 TYR . 27761 1 45 102 LYS . 27761 1 46 103 GLY . 27761 1 47 104 GLU . 27761 1 48 105 GLY . 27761 1 49 106 LEU . 27761 1 50 107 ASN . 27761 1 51 108 LYS . 27761 1 52 109 THR . 27761 1 53 110 ALA . 27761 1 54 111 ILE . 27761 1 55 112 GLY . 27761 1 56 113 ASP . 27761 1 57 114 TYR . 27761 1 58 115 LEU . 27761 1 59 116 GLY . 27761 1 60 117 GLU . 27761 1 61 118 ARG . 27761 1 62 119 GLU . 27761 1 63 120 GLU . 27761 1 64 121 LEU . 27761 1 65 122 ASN . 27761 1 66 123 LEU . 27761 1 67 124 ALA . 27761 1 68 125 VAL . 27761 1 69 126 LEU . 27761 1 70 127 HIS . 27761 1 71 128 ALA . 27761 1 72 129 PHE . 27761 1 73 130 VAL . 27761 1 74 131 ASP . 27761 1 75 132 LEU . 27761 1 76 133 HIS . 27761 1 77 134 GLU . 27761 1 78 135 PHE . 27761 1 79 136 THR . 27761 1 80 137 ASP . 27761 1 81 138 LEU . 27761 1 82 139 ASN . 27761 1 83 140 LEU . 27761 1 84 141 VAL . 27761 1 85 142 GLN . 27761 1 86 143 ALA . 27761 1 87 144 LEU . 27761 1 88 145 ARG . 27761 1 89 146 GLN . 27761 1 90 147 PHE . 27761 1 91 148 LEU . 27761 1 92 149 TRP . 27761 1 93 150 SER . 27761 1 94 151 PHE . 27761 1 95 152 ARG . 27761 1 96 153 LEU . 27761 1 97 154 PRO . 27761 1 98 155 GLY . 27761 1 99 156 GLU . 27761 1 100 157 ALA . 27761 1 101 158 GLN . 27761 1 102 159 LYS . 27761 1 103 160 ILE . 27761 1 104 161 ASP . 27761 1 105 162 ARG . 27761 1 106 163 MET . 27761 1 107 164 MET . 27761 1 108 165 GLU . 27761 1 109 166 ALA . 27761 1 110 167 PHE . 27761 1 111 168 ALA . 27761 1 112 169 GLN . 27761 1 113 170 ARG . 27761 1 114 171 TYR . 27761 1 115 172 CYS . 27761 1 116 173 LEU . 27761 1 117 174 CYS . 27761 1 118 175 ASN . 27761 1 119 176 PRO . 27761 1 120 177 GLY . 27761 1 121 178 VAL . 27761 1 122 179 PHE . 27761 1 123 180 GLN . 27761 1 124 181 SER . 27761 1 125 182 THR . 27761 1 126 183 ASP . 27761 1 127 184 THR . 27761 1 128 185 CYS . 27761 1 129 186 TYR . 27761 1 130 187 VAL . 27761 1 131 188 LEU . 27761 1 132 189 SER . 27761 1 133 190 PHE . 27761 1 134 191 ALA . 27761 1 135 192 VAL . 27761 1 136 193 ILE . 27761 1 137 194 MET . 27761 1 138 195 LEU . 27761 1 139 196 ASN . 27761 1 140 197 THR . 27761 1 141 198 SER . 27761 1 142 199 LEU . 27761 1 143 200 HIS . 27761 1 144 201 ASN . 27761 1 145 202 PRO . 27761 1 146 203 ASN . 27761 1 147 204 VAL . 27761 1 148 205 ARG . 27761 1 149 206 ASP . 27761 1 150 207 LYS . 27761 1 151 208 PRO . 27761 1 152 209 GLY . 27761 1 153 210 LEU . 27761 1 154 211 GLU . 27761 1 155 212 ARG . 27761 1 156 213 PHE . 27761 1 157 214 VAL . 27761 1 158 215 ALA . 27761 1 159 216 MET . 27761 1 160 217 ASN . 27761 1 161 218 ARG . 27761 1 162 219 GLY . 27761 1 163 220 ILE . 27761 1 164 221 ASN . 27761 1 165 222 GLU . 27761 1 166 223 GLY . 27761 1 167 224 GLY . 27761 1 168 225 ASP . 27761 1 169 226 LEU . 27761 1 170 227 PRO . 27761 1 171 228 GLU . 27761 1 172 229 GLU . 27761 1 173 230 LEU . 27761 1 174 231 LEU . 27761 1 175 232 ARG . 27761 1 176 233 ASN . 27761 1 177 234 LEU . 27761 1 178 235 TYR . 27761 1 179 236 ASP . 27761 1 180 237 SER . 27761 1 181 238 ILE . 27761 1 182 239 ARG . 27761 1 183 240 ASN . 27761 1 184 241 GLU . 27761 1 185 242 PRO . 27761 1 186 243 PHE . 27761 1 187 244 LYS . 27761 1 188 245 ILE . 27761 1 189 246 PRO . 27761 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 . SER 1 1 27761 1 . GLU 2 2 27761 1 . THR 3 3 27761 1 . ARG 4 4 27761 1 . ASN 5 5 27761 1 . ARG 6 6 27761 1 . LYS 7 7 27761 1 . MET 8 8 27761 1 . ALA 9 9 27761 1 . MET 10 10 27761 1 . GLY 11 11 27761 1 . ARG 12 12 27761 1 . LYS 13 13 27761 1 . LYS 14 14 27761 1 . PHE 15 15 27761 1 . ASN 16 16 27761 1 . MET 17 17 27761 1 . ASP 18 18 27761 1 . PRO 19 19 27761 1 . LYS 20 20 27761 1 . LYS 21 21 27761 1 . GLY 22 22 27761 1 . ILE 23 23 27761 1 . GLN 24 24 27761 1 . PHE 25 25 27761 1 . LEU 26 26 27761 1 . VAL 27 27 27761 1 . GLU 28 28 27761 1 . ASN 29 29 27761 1 . GLU 30 30 27761 1 . LEU 31 31 27761 1 . LEU 32 32 27761 1 . GLN 33 33 27761 1 . ASN 34 34 27761 1 . THR 35 35 27761 1 . PRO 36 36 27761 1 . GLU 37 37 27761 1 . GLU 38 38 27761 1 . ILE 39 39 27761 1 . ALA 40 40 27761 1 . ARG 41 41 27761 1 . PHE 42 42 27761 1 . LEU 43 43 27761 1 . TYR 44 44 27761 1 . LYS 45 45 27761 1 . GLY 46 46 27761 1 . GLU 47 47 27761 1 . GLY 48 48 27761 1 . LEU 49 49 27761 1 . ASN 50 50 27761 1 . LYS 51 51 27761 1 . THR 52 52 27761 1 . ALA 53 53 27761 1 . ILE 54 54 27761 1 . GLY 55 55 27761 1 . ASP 56 56 27761 1 . TYR 57 57 27761 1 . LEU 58 58 27761 1 . GLY 59 59 27761 1 . GLU 60 60 27761 1 . ARG 61 61 27761 1 . GLU 62 62 27761 1 . GLU 63 63 27761 1 . LEU 64 64 27761 1 . ASN 65 65 27761 1 . LEU 66 66 27761 1 . ALA 67 67 27761 1 . VAL 68 68 27761 1 . LEU 69 69 27761 1 . HIS 70 70 27761 1 . ALA 71 71 27761 1 . PHE 72 72 27761 1 . VAL 73 73 27761 1 . ASP 74 74 27761 1 . LEU 75 75 27761 1 . HIS 76 76 27761 1 . GLU 77 77 27761 1 . PHE 78 78 27761 1 . THR 79 79 27761 1 . ASP 80 80 27761 1 . LEU 81 81 27761 1 . ASN 82 82 27761 1 . LEU 83 83 27761 1 . VAL 84 84 27761 1 . GLN 85 85 27761 1 . ALA 86 86 27761 1 . LEU 87 87 27761 1 . ARG 88 88 27761 1 . GLN 89 89 27761 1 . PHE 90 90 27761 1 . LEU 91 91 27761 1 . TRP 92 92 27761 1 . SER 93 93 27761 1 . PHE 94 94 27761 1 . ARG 95 95 27761 1 . LEU 96 96 27761 1 . PRO 97 97 27761 1 . GLY 98 98 27761 1 . GLU 99 99 27761 1 . ALA 100 100 27761 1 . GLN 101 101 27761 1 . LYS 102 102 27761 1 . ILE 103 103 27761 1 . ASP 104 104 27761 1 . ARG 105 105 27761 1 . MET 106 106 27761 1 . MET 107 107 27761 1 . GLU 108 108 27761 1 . ALA 109 109 27761 1 . PHE 110 110 27761 1 . ALA 111 111 27761 1 . GLN 112 112 27761 1 . ARG 113 113 27761 1 . TYR 114 114 27761 1 . CYS 115 115 27761 1 . LEU 116 116 27761 1 . CYS 117 117 27761 1 . ASN 118 118 27761 1 . PRO 119 119 27761 1 . GLY 120 120 27761 1 . VAL 121 121 27761 1 . PHE 122 122 27761 1 . GLN 123 123 27761 1 . SER 124 124 27761 1 . THR 125 125 27761 1 . ASP 126 126 27761 1 . THR 127 127 27761 1 . CYS 128 128 27761 1 . TYR 129 129 27761 1 . VAL 130 130 27761 1 . LEU 131 131 27761 1 . SER 132 132 27761 1 . PHE 133 133 27761 1 . ALA 134 134 27761 1 . VAL 135 135 27761 1 . ILE 136 136 27761 1 . MET 137 137 27761 1 . LEU 138 138 27761 1 . ASN 139 139 27761 1 . THR 140 140 27761 1 . SER 141 141 27761 1 . LEU 142 142 27761 1 . HIS 143 143 27761 1 . ASN 144 144 27761 1 . PRO 145 145 27761 1 . ASN 146 146 27761 1 . VAL 147 147 27761 1 . ARG 148 148 27761 1 . ASP 149 149 27761 1 . LYS 150 150 27761 1 . PRO 151 151 27761 1 . GLY 152 152 27761 1 . LEU 153 153 27761 1 . GLU 154 154 27761 1 . ARG 155 155 27761 1 . PHE 156 156 27761 1 . VAL 157 157 27761 1 . ALA 158 158 27761 1 . MET 159 159 27761 1 . ASN 160 160 27761 1 . ARG 161 161 27761 1 . GLY 162 162 27761 1 . ILE 163 163 27761 1 . ASN 164 164 27761 1 . GLU 165 165 27761 1 . GLY 166 166 27761 1 . GLY 167 167 27761 1 . ASP 168 168 27761 1 . LEU 169 169 27761 1 . PRO 170 170 27761 1 . GLU 171 171 27761 1 . GLU 172 172 27761 1 . LEU 173 173 27761 1 . LEU 174 174 27761 1 . ARG 175 175 27761 1 . ASN 176 176 27761 1 . LEU 177 177 27761 1 . TYR 178 178 27761 1 . ASP 179 179 27761 1 . SER 180 180 27761 1 . ILE 181 181 27761 1 . ARG 182 182 27761 1 . ASN 183 183 27761 1 . GLU 184 184 27761 1 . PRO 185 185 27761 1 . PHE 186 186 27761 1 . LYS 187 187 27761 1 . ILE 188 188 27761 1 . PRO 189 189 27761 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 27761 _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 $Sec7 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27761 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 27761 _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 $Sec7 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . BL21(DE3) . . . 27761 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27761 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details N/A _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 Sec7 '[U-13C; U-15N; U-2H]' . . 1 $Sec7 . . 0.36 . . mM . . . . 27761 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27761 1 3 DSS 'natural abundance' . . . . . . 0.05 . . mM . . . . 27761 1 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 27761 1 5 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 27761 1 6 H2O 'natural abundance' . . . . . . 90 . . '% v/v' . . . . 27761 1 7 D2O 'natural abundance' . . . . . . 10 . . '% v/v' . . . . 27761 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 27761 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 300 . mM 27761 1 pH 7.4 . pH 27761 1 pressure 1 . atm 27761 1 temperature 305.15 . K 27761 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27761 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9.24a _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27761 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27761 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27761 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 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 27761 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27761 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 27761 _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 . . . . . . . . . . . . . . . . 27761 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27761 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27761 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27761 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27761 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 27761 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27761 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27761 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27761 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 27761 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27761 1 2 '3D HNCO' . . . 27761 1 3 '3D HNCACB' . . . 27761 1 4 '3D HN(CO)CA' . . . 27761 1 5 '3D CBCA(CO)NH' . . . 27761 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 6 6 ARG C C 13 179.195 0.3 . 1 . . . . . 63 ARG C . 27761 1 2 . 1 . 1 6 6 ARG CA C 13 58.662 0.3 . 1 . . . . . 63 ARG CA . 27761 1 3 . 1 . 1 6 6 ARG CB C 13 28.813 0.3 . 1 . . . . . 63 ARG CB . 27761 1 4 . 1 . 1 7 7 LYS H H 1 8.296 0.020 . 1 . . . . . 64 LYS H . 27761 1 5 . 1 . 1 7 7 LYS C C 13 179.000 0.3 . 1 . . . . . 64 LYS C . 27761 1 6 . 1 . 1 7 7 LYS CA C 13 59.210 0.3 . 1 . . . . . 64 LYS CA . 27761 1 7 . 1 . 1 7 7 LYS CB C 13 32.320 0.3 . 1 . . . . . 64 LYS CB . 27761 1 8 . 1 . 1 7 7 LYS N N 15 118.765 0.3 . 1 . . . . . 64 LYS N . 27761 1 9 . 1 . 1 8 8 MET H H 1 8.494 0.020 . 1 . . . . . 65 MET H . 27761 1 10 . 1 . 1 8 8 MET C C 13 178.425 0.3 . 1 . . . . . 65 MET C . 27761 1 11 . 1 . 1 8 8 MET CA C 13 57.402 0.3 . 1 . . . . . 65 MET CA . 27761 1 12 . 1 . 1 8 8 MET CB C 13 30.325 0.3 . 1 . . . . . 65 MET CB . 27761 1 13 . 1 . 1 8 8 MET N N 15 118.260 0.3 . 1 . . . . . 65 MET N . 27761 1 14 . 1 . 1 9 9 ALA H H 1 7.892 0.020 . 1 . . . . . 66 ALA H . 27761 1 15 . 1 . 1 9 9 ALA C C 13 181.160 0.3 . 1 . . . . . 66 ALA C . 27761 1 16 . 1 . 1 9 9 ALA CA C 13 54.961 0.3 . 1 . . . . . 66 ALA CA . 27761 1 17 . 1 . 1 9 9 ALA CB C 13 17.141 0.3 . 1 . . . . . 66 ALA CB . 27761 1 18 . 1 . 1 9 9 ALA N N 15 120.049 0.3 . 1 . . . . . 66 ALA N . 27761 1 19 . 1 . 1 10 10 MET H H 1 7.981 0.020 . 1 . . . . . 67 MET H . 27761 1 20 . 1 . 1 10 10 MET C C 13 178.588 0.3 . 1 . . . . . 67 MET C . 27761 1 21 . 1 . 1 10 10 MET CA C 13 57.718 0.3 . 1 . . . . . 67 MET CA . 27761 1 22 . 1 . 1 10 10 MET CB C 13 31.514 0.3 . 1 . . . . . 67 MET CB . 27761 1 23 . 1 . 1 10 10 MET N N 15 117.238 0.3 . 1 . . . . . 67 MET N . 27761 1 24 . 1 . 1 11 11 GLY H H 1 8.679 0.020 . 1 . . . . . 68 GLY H . 27761 1 25 . 1 . 1 11 11 GLY C C 13 174.839 0.3 . 1 . . . . . 68 GLY C . 27761 1 26 . 1 . 1 11 11 GLY CA C 13 47.495 0.3 . 1 . . . . . 68 GLY CA . 27761 1 27 . 1 . 1 11 11 GLY N N 15 106.809 0.3 . 1 . . . . . 68 GLY N . 27761 1 28 . 1 . 1 12 12 ARG H H 1 8.389 0.020 . 1 . . . . . 69 ARG H . 27761 1 29 . 1 . 1 12 12 ARG C C 13 177.020 0.3 . 1 . . . . . 69 ARG C . 27761 1 30 . 1 . 1 12 12 ARG CA C 13 60.096 0.3 . 1 . . . . . 69 ARG CA . 27761 1 31 . 1 . 1 12 12 ARG CB C 13 29.325 0.3 . 1 . . . . . 69 ARG CB . 27761 1 32 . 1 . 1 12 12 ARG N N 15 119.790 0.3 . 1 . . . . . 69 ARG N . 27761 1 33 . 1 . 1 13 13 LYS H H 1 7.535 0.020 . 1 . . . . . 70 LYS H . 27761 1 34 . 1 . 1 13 13 LYS C C 13 180.004 0.3 . 1 . . . . . 70 LYS C . 27761 1 35 . 1 . 1 13 13 LYS CA C 13 59.138 0.3 . 1 . . . . . 70 LYS CA . 27761 1 36 . 1 . 1 13 13 LYS CB C 13 31.326 0.3 . 1 . . . . . 70 LYS CB . 27761 1 37 . 1 . 1 13 13 LYS N N 15 116.303 0.3 . 1 . . . . . 70 LYS N . 27761 1 38 . 1 . 1 14 14 LYS H H 1 8.179 0.020 . 1 . . . . . 71 LYS H . 27761 1 39 . 1 . 1 14 14 LYS C C 13 178.478 0.3 . 1 . . . . . 71 LYS C . 27761 1 40 . 1 . 1 14 14 LYS CA C 13 59.069 0.3 . 1 . . . . . 71 LYS CA . 27761 1 41 . 1 . 1 14 14 LYS CB C 13 31.539 0.3 . 1 . . . . . 71 LYS CB . 27761 1 42 . 1 . 1 14 14 LYS N N 15 116.322 0.3 . 1 . . . . . 71 LYS N . 27761 1 43 . 1 . 1 15 15 PHE H H 1 8.617 0.020 . 1 . . . . . 72 PHE H . 27761 1 44 . 1 . 1 15 15 PHE C C 13 173.837 0.3 . 1 . . . . . 72 PHE C . 27761 1 45 . 1 . 1 15 15 PHE CA C 13 61.009 0.3 . 1 . . . . . 72 PHE CA . 27761 1 46 . 1 . 1 15 15 PHE CB C 13 38.274 0.3 . 1 . . . . . 72 PHE CB . 27761 1 47 . 1 . 1 15 15 PHE N N 15 118.819 0.3 . 1 . . . . . 72 PHE N . 27761 1 48 . 1 . 1 16 16 ASN H H 1 7.827 0.020 . 1 . . . . . 73 ASN H . 27761 1 49 . 1 . 1 16 16 ASN C C 13 177.372 0.3 . 1 . . . . . 73 ASN C . 27761 1 50 . 1 . 1 16 16 ASN CA C 13 54.209 0.3 . 1 . . . . . 73 ASN CA . 27761 1 51 . 1 . 1 16 16 ASN CB C 13 37.228 0.3 . 1 . . . . . 73 ASN CB . 27761 1 52 . 1 . 1 16 16 ASN N N 15 111.258 0.3 . 1 . . . . . 73 ASN N . 27761 1 53 . 1 . 1 17 17 MET H H 1 7.336 0.020 . 1 . . . . . 74 MET H . 27761 1 54 . 1 . 1 17 17 MET C C 13 176.344 0.3 . 1 . . . . . 74 MET C . 27761 1 55 . 1 . 1 17 17 MET CA C 13 53.836 0.3 . 1 . . . . . 74 MET CA . 27761 1 56 . 1 . 1 17 17 MET CB C 13 33.116 0.3 . 1 . . . . . 74 MET CB . 27761 1 57 . 1 . 1 17 17 MET N N 15 116.234 0.3 . 1 . . . . . 74 MET N . 27761 1 58 . 1 . 1 18 18 ASP H H 1 8.075 0.020 . 1 . . . . . 75 ASP H . 27761 1 59 . 1 . 1 18 18 ASP C C 13 172.397 0.3 . 1 . . . . . 75 ASP C . 27761 1 60 . 1 . 1 18 18 ASP CA C 13 51.918 0.3 . 1 . . . . . 75 ASP CA . 27761 1 61 . 1 . 1 18 18 ASP CB C 13 40.899 0.3 . 1 . . . . . 75 ASP CB . 27761 1 62 . 1 . 1 18 18 ASP N N 15 117.040 0.3 . 1 . . . . . 75 ASP N . 27761 1 63 . 1 . 1 19 19 PRO C C 13 178.380 0.3 . 1 . . . . . 76 PRO C . 27761 1 64 . 1 . 1 19 19 PRO CA C 13 65.103 0.3 . 1 . . . . . 76 PRO CA . 27761 1 65 . 1 . 1 19 19 PRO CB C 13 32.397 0.3 . 1 . . . . . 76 PRO CB . 27761 1 66 . 1 . 1 20 20 LYS H H 1 8.227 0.020 . 1 . . . . . 77 LYS H . 27761 1 67 . 1 . 1 20 20 LYS C C 13 180.181 0.3 . 1 . . . . . 77 LYS C . 27761 1 68 . 1 . 1 20 20 LYS CA C 13 60.197 0.3 . 1 . . . . . 77 LYS CA . 27761 1 69 . 1 . 1 20 20 LYS CB C 13 31.058 0.3 . 1 . . . . . 77 LYS CB . 27761 1 70 . 1 . 1 20 20 LYS N N 15 114.526 0.3 . 1 . . . . . 77 LYS N . 27761 1 71 . 1 . 1 21 21 LYS H H 1 7.679 0.020 . 1 . . . . . 78 LYS H . 27761 1 72 . 1 . 1 21 21 LYS C C 13 180.730 0.3 . 1 . . . . . 78 LYS C . 27761 1 73 . 1 . 1 21 21 LYS CA C 13 58.366 0.3 . 1 . . . . . 78 LYS CA . 27761 1 74 . 1 . 1 21 21 LYS CB C 13 31.272 0.3 . 1 . . . . . 78 LYS CB . 27761 1 75 . 1 . 1 21 21 LYS N N 15 117.845 0.3 . 1 . . . . . 78 LYS N . 27761 1 76 . 1 . 1 22 22 GLY H H 1 8.771 0.020 . 1 . . . . . 79 GLY H . 27761 1 77 . 1 . 1 22 22 GLY C C 13 174.450 0.3 . 1 . . . . . 79 GLY C . 27761 1 78 . 1 . 1 22 22 GLY CA C 13 47.255 0.3 . 1 . . . . . 79 GLY CA . 27761 1 79 . 1 . 1 22 22 GLY N N 15 107.371 0.3 . 1 . . . . . 79 GLY N . 27761 1 80 . 1 . 1 23 23 ILE H H 1 8.580 0.020 . 1 . . . . . 80 ILE H . 27761 1 81 . 1 . 1 23 23 ILE C C 13 177.533 0.3 . 1 . . . . . 80 ILE C . 27761 1 82 . 1 . 1 23 23 ILE CA C 13 62.860 0.3 . 1 . . . . . 80 ILE CA . 27761 1 83 . 1 . 1 23 23 ILE CB C 13 34.553 0.3 . 1 . . . . . 80 ILE CB . 27761 1 84 . 1 . 1 23 23 ILE N N 15 119.947 0.3 . 1 . . . . . 80 ILE N . 27761 1 85 . 1 . 1 24 24 GLN H H 1 7.851 0.020 . 1 . . . . . 81 GLN H . 27761 1 86 . 1 . 1 24 24 GLN C C 13 177.759 0.3 . 1 . . . . . 81 GLN C . 27761 1 87 . 1 . 1 24 24 GLN CA C 13 58.880 0.3 . 1 . . . . . 81 GLN CA . 27761 1 88 . 1 . 1 24 24 GLN CB C 13 27.122 0.3 . 1 . . . . . 81 GLN CB . 27761 1 89 . 1 . 1 24 24 GLN N N 15 116.518 0.3 . 1 . . . . . 81 GLN N . 27761 1 90 . 1 . 1 25 25 PHE H H 1 8.128 0.020 . 1 . . . . . 82 PHE H . 27761 1 91 . 1 . 1 25 25 PHE C C 13 178.703 0.3 . 1 . . . . . 82 PHE C . 27761 1 92 . 1 . 1 25 25 PHE CA C 13 61.081 0.3 . 1 . . . . . 82 PHE CA . 27761 1 93 . 1 . 1 25 25 PHE CB C 13 38.519 0.3 . 1 . . . . . 82 PHE CB . 27761 1 94 . 1 . 1 25 25 PHE N N 15 117.758 0.3 . 1 . . . . . 82 PHE N . 27761 1 95 . 1 . 1 26 26 LEU H H 1 8.425 0.020 . 1 . . . . . 83 LEU H . 27761 1 96 . 1 . 1 26 26 LEU C C 13 178.876 0.3 . 1 . . . . . 83 LEU C . 27761 1 97 . 1 . 1 26 26 LEU CA C 13 58.110 0.3 . 1 . . . . . 83 LEU CA . 27761 1 98 . 1 . 1 26 26 LEU CB C 13 41.346 0.3 . 1 . . . . . 83 LEU CB . 27761 1 99 . 1 . 1 26 26 LEU N N 15 120.458 0.3 . 1 . . . . . 83 LEU N . 27761 1 100 . 1 . 1 27 27 VAL H H 1 8.697 0.020 . 1 . . . . . 84 VAL H . 27761 1 101 . 1 . 1 27 27 VAL C C 13 181.661 0.3 . 1 . . . . . 84 VAL C . 27761 1 102 . 1 . 1 27 27 VAL CA C 13 64.683 0.3 . 1 . . . . . 84 VAL CA . 27761 1 103 . 1 . 1 27 27 VAL CB C 13 31.202 0.3 . 1 . . . . . 84 VAL CB . 27761 1 104 . 1 . 1 27 27 VAL N N 15 119.331 0.3 . 1 . . . . . 84 VAL N . 27761 1 105 . 1 . 1 28 28 GLU H H 1 8.940 0.020 . 1 . . . . . 85 GLU H . 27761 1 106 . 1 . 1 28 28 GLU C C 13 177.770 0.3 . 1 . . . . . 85 GLU C . 27761 1 107 . 1 . 1 28 28 GLU CA C 13 58.708 0.3 . 1 . . . . . 85 GLU CA . 27761 1 108 . 1 . 1 28 28 GLU CB C 13 28.163 0.3 . 1 . . . . . 85 GLU CB . 27761 1 109 . 1 . 1 28 28 GLU N N 15 121.143 0.3 . 1 . . . . . 85 GLU N . 27761 1 110 . 1 . 1 29 29 ASN H H 1 7.209 0.020 . 1 . . . . . 86 ASN H . 27761 1 111 . 1 . 1 29 29 ASN C C 13 172.388 0.3 . 1 . . . . . 86 ASN C . 27761 1 112 . 1 . 1 29 29 ASN CA C 13 53.752 0.3 . 1 . . . . . 86 ASN CA . 27761 1 113 . 1 . 1 29 29 ASN CB C 13 38.275 0.3 . 1 . . . . . 86 ASN CB . 27761 1 114 . 1 . 1 29 29 ASN N N 15 112.149 0.3 . 1 . . . . . 86 ASN N . 27761 1 115 . 1 . 1 30 30 GLU H H 1 7.926 0.020 . 1 . . . . . 87 GLU H . 27761 1 116 . 1 . 1 30 30 GLU C C 13 175.424 0.3 . 1 . . . . . 87 GLU C . 27761 1 117 . 1 . 1 30 30 GLU CA C 13 57.341 0.3 . 1 . . . . . 87 GLU CA . 27761 1 118 . 1 . 1 30 30 GLU CB C 13 25.546 0.3 . 1 . . . . . 87 GLU CB . 27761 1 119 . 1 . 1 30 30 GLU N N 15 112.300 0.3 . 1 . . . . . 87 GLU N . 27761 1 120 . 1 . 1 31 31 LEU H H 1 8.227 0.020 . 1 . . . . . 88 LEU H . 27761 1 121 . 1 . 1 31 31 LEU C C 13 175.435 0.3 . 1 . . . . . 88 LEU C . 27761 1 122 . 1 . 1 31 31 LEU CA C 13 54.530 0.3 . 1 . . . . . 88 LEU CA . 27761 1 123 . 1 . 1 31 31 LEU CB C 13 41.754 0.3 . 1 . . . . . 88 LEU CB . 27761 1 124 . 1 . 1 31 31 LEU N N 15 116.118 0.3 . 1 . . . . . 88 LEU N . 27761 1 125 . 1 . 1 32 32 LEU H H 1 6.881 0.020 . 1 . . . . . 89 LEU H . 27761 1 126 . 1 . 1 32 32 LEU C C 13 175.272 0.3 . 1 . . . . . 89 LEU C . 27761 1 127 . 1 . 1 32 32 LEU CA C 13 52.801 0.3 . 1 . . . . . 89 LEU CA . 27761 1 128 . 1 . 1 32 32 LEU CB C 13 45.980 0.3 . 1 . . . . . 89 LEU CB . 27761 1 129 . 1 . 1 32 32 LEU N N 15 118.115 0.3 . 1 . . . . . 89 LEU N . 27761 1 130 . 1 . 1 33 33 GLN H H 1 8.495 0.020 . 1 . . . . . 90 GLN H . 27761 1 131 . 1 . 1 33 33 GLN C C 13 175.188 0.3 . 1 . . . . . 90 GLN C . 27761 1 132 . 1 . 1 33 33 GLN CA C 13 55.367 0.3 . 1 . . . . . 90 GLN CA . 27761 1 133 . 1 . 1 33 33 GLN CB C 13 29.169 0.3 . 1 . . . . . 90 GLN CB . 27761 1 134 . 1 . 1 33 33 GLN N N 15 122.783 0.3 . 1 . . . . . 90 GLN N . 27761 1 135 . 1 . 1 34 34 ASN H H 1 8.554 0.020 . 1 . . . . . 91 ASN H . 27761 1 136 . 1 . 1 34 34 ASN C C 13 175.670 0.3 . 1 . . . . . 91 ASN C . 27761 1 137 . 1 . 1 34 34 ASN CA C 13 51.123 0.3 . 1 . . . . . 91 ASN CA . 27761 1 138 . 1 . 1 34 34 ASN CB C 13 36.752 0.3 . 1 . . . . . 91 ASN CB . 27761 1 139 . 1 . 1 34 34 ASN N N 15 119.094 0.3 . 1 . . . . . 91 ASN N . 27761 1 140 . 1 . 1 35 35 THR H H 1 8.093 0.020 . 1 . . . . . 92 THR H . 27761 1 141 . 1 . 1 35 35 THR C C 13 172.807 0.3 . 1 . . . . . 92 THR C . 27761 1 142 . 1 . 1 35 35 THR CA C 13 57.030 0.3 . 1 . . . . . 92 THR CA . 27761 1 143 . 1 . 1 35 35 THR CB C 13 69.096 0.3 . 1 . . . . . 92 THR CB . 27761 1 144 . 1 . 1 35 35 THR N N 15 111.044 0.3 . 1 . . . . . 92 THR N . 27761 1 145 . 1 . 1 36 36 PRO C C 13 178.089 0.3 . 1 . . . . . 93 PRO C . 27761 1 146 . 1 . 1 36 36 PRO CA C 13 64.732 0.3 . 1 . . . . . 93 PRO CA . 27761 1 147 . 1 . 1 36 36 PRO CB C 13 30.366 0.3 . 1 . . . . . 93 PRO CB . 27761 1 148 . 1 . 1 37 37 GLU H H 1 8.891 0.020 . 1 . . . . . 94 GLU H . 27761 1 149 . 1 . 1 37 37 GLU C C 13 179.078 0.3 . 1 . . . . . 94 GLU C . 27761 1 150 . 1 . 1 37 37 GLU CA C 13 60.352 0.3 . 1 . . . . . 94 GLU CA . 27761 1 151 . 1 . 1 37 37 GLU CB C 13 28.019 0.3 . 1 . . . . . 94 GLU CB . 27761 1 152 . 1 . 1 37 37 GLU N N 15 113.202 0.3 . 1 . . . . . 94 GLU N . 27761 1 153 . 1 . 1 38 38 GLU H H 1 7.639 0.020 . 1 . . . . . 95 GLU H . 27761 1 154 . 1 . 1 38 38 GLU C C 13 180.267 0.3 . 1 . . . . . 95 GLU C . 27761 1 155 . 1 . 1 38 38 GLU CA C 13 58.896 0.3 . 1 . . . . . 95 GLU CA . 27761 1 156 . 1 . 1 38 38 GLU CB C 13 27.992 0.3 . 1 . . . . . 95 GLU CB . 27761 1 157 . 1 . 1 38 38 GLU N N 15 117.723 0.3 . 1 . . . . . 95 GLU N . 27761 1 158 . 1 . 1 39 39 ILE H H 1 8.486 0.020 . 1 . . . . . 96 ILE H . 27761 1 159 . 1 . 1 39 39 ILE C C 13 178.126 0.3 . 1 . . . . . 96 ILE C . 27761 1 160 . 1 . 1 39 39 ILE CA C 13 66.004 0.3 . 1 . . . . . 96 ILE CA . 27761 1 161 . 1 . 1 39 39 ILE CB C 13 37.303 0.3 . 1 . . . . . 96 ILE CB . 27761 1 162 . 1 . 1 39 39 ILE N N 15 120.961 0.3 . 1 . . . . . 96 ILE N . 27761 1 163 . 1 . 1 40 40 ALA H H 1 8.773 0.020 . 1 . . . . . 97 ALA H . 27761 1 164 . 1 . 1 40 40 ALA C C 13 179.211 0.3 . 1 . . . . . 97 ALA C . 27761 1 165 . 1 . 1 40 40 ALA CA C 13 55.978 0.3 . 1 . . . . . 97 ALA CA . 27761 1 166 . 1 . 1 40 40 ALA CB C 13 18.054 0.3 . 1 . . . . . 97 ALA CB . 27761 1 167 . 1 . 1 40 40 ALA N N 15 119.113 0.3 . 1 . . . . . 97 ALA N . 27761 1 168 . 1 . 1 41 41 ARG H H 1 8.010 0.020 . 1 . . . . . 98 ARG H . 27761 1 169 . 1 . 1 41 41 ARG C C 13 178.450 0.3 . 1 . . . . . 98 ARG C . 27761 1 170 . 1 . 1 41 41 ARG CA C 13 59.756 0.3 . 1 . . . . . 98 ARG CA . 27761 1 171 . 1 . 1 41 41 ARG CB C 13 29.278 0.3 . 1 . . . . . 98 ARG CB . 27761 1 172 . 1 . 1 41 41 ARG N N 15 115.708 0.3 . 1 . . . . . 98 ARG N . 27761 1 173 . 1 . 1 42 42 PHE H H 1 7.790 0.020 . 1 . . . . . 99 PHE H . 27761 1 174 . 1 . 1 42 42 PHE C C 13 177.696 0.3 . 1 . . . . . 99 PHE C . 27761 1 175 . 1 . 1 42 42 PHE CA C 13 60.382 0.3 . 1 . . . . . 99 PHE CA . 27761 1 176 . 1 . 1 42 42 PHE CB C 13 38.761 0.3 . 1 . . . . . 99 PHE CB . 27761 1 177 . 1 . 1 42 42 PHE N N 15 120.526 0.3 . 1 . . . . . 99 PHE N . 27761 1 178 . 1 . 1 43 43 LEU H H 1 8.200 0.020 . 1 . . . . . 100 LEU H . 27761 1 179 . 1 . 1 43 43 LEU C C 13 177.949 0.3 . 1 . . . . . 100 LEU C . 27761 1 180 . 1 . 1 43 43 LEU CA C 13 56.867 0.3 . 1 . . . . . 100 LEU CA . 27761 1 181 . 1 . 1 43 43 LEU CB C 13 40.557 0.3 . 1 . . . . . 100 LEU CB . 27761 1 182 . 1 . 1 43 43 LEU N N 15 117.559 0.3 . 1 . . . . . 100 LEU N . 27761 1 183 . 1 . 1 44 44 TYR C C 13 177.091 0.3 . 1 . . . . . 101 TYR C . 27761 1 184 . 1 . 1 44 44 TYR CA C 13 60.608 0.3 . 1 . . . . . 101 TYR CA . 27761 1 185 . 1 . 1 44 44 TYR CB C 13 39.438 0.3 . 1 . . . . . 101 TYR CB . 27761 1 186 . 1 . 1 45 45 LYS H H 1 8.042 0.020 . 1 . . . . . 102 LYS H . 27761 1 187 . 1 . 1 45 45 LYS C C 13 179.542 0.3 . 1 . . . . . 102 LYS C . 27761 1 188 . 1 . 1 45 45 LYS CA C 13 57.715 0.3 . 1 . . . . . 102 LYS CA . 27761 1 189 . 1 . 1 45 45 LYS CB C 13 30.909 0.3 . 1 . . . . . 102 LYS CB . 27761 1 190 . 1 . 1 45 45 LYS N N 15 117.080 0.3 . 1 . . . . . 102 LYS N . 27761 1 191 . 1 . 1 46 46 GLY H H 1 7.311 0.020 . 1 . . . . . 103 GLY H . 27761 1 192 . 1 . 1 46 46 GLY C C 13 175.054 0.3 . 1 . . . . . 103 GLY C . 27761 1 193 . 1 . 1 46 46 GLY CA C 13 46.457 0.3 . 1 . . . . . 103 GLY CA . 27761 1 194 . 1 . 1 46 46 GLY N N 15 103.670 0.3 . 1 . . . . . 103 GLY N . 27761 1 195 . 1 . 1 47 47 GLU H H 1 8.050 0.020 . 1 . . . . . 104 GLU H . 27761 1 196 . 1 . 1 47 47 GLU C C 13 176.720 0.3 . 1 . . . . . 104 GLU C . 27761 1 197 . 1 . 1 47 47 GLU CA C 13 57.226 0.3 . 1 . . . . . 104 GLU CA . 27761 1 198 . 1 . 1 47 47 GLU CB C 13 28.289 0.3 . 1 . . . . . 104 GLU CB . 27761 1 199 . 1 . 1 47 47 GLU N N 15 121.450 0.3 . 1 . . . . . 104 GLU N . 27761 1 200 . 1 . 1 48 48 GLY C C 13 174.301 0.3 . 1 . . . . . 105 GLY C . 27761 1 201 . 1 . 1 48 48 GLY CA C 13 45.722 0.3 . 1 . . . . . 105 GLY CA . 27761 1 202 . 1 . 1 49 49 LEU H H 1 7.243 0.020 . 1 . . . . . 106 LEU H . 27761 1 203 . 1 . 1 49 49 LEU C C 13 176.251 0.3 . 1 . . . . . 106 LEU C . 27761 1 204 . 1 . 1 49 49 LEU CA C 13 52.351 0.3 . 1 . . . . . 106 LEU CA . 27761 1 205 . 1 . 1 49 49 LEU CB C 13 41.302 0.3 . 1 . . . . . 106 LEU CB . 27761 1 206 . 1 . 1 49 49 LEU N N 15 115.809 0.3 . 1 . . . . . 106 LEU N . 27761 1 207 . 1 . 1 50 50 ASN H H 1 9.183 0.020 . 1 . . . . . 107 ASN H . 27761 1 208 . 1 . 1 50 50 ASN C C 13 177.004 0.3 . 1 . . . . . 107 ASN C . 27761 1 209 . 1 . 1 50 50 ASN CA C 13 52.397 0.3 . 1 . . . . . 107 ASN CA . 27761 1 210 . 1 . 1 50 50 ASN CB C 13 38.117 0.3 . 1 . . . . . 107 ASN CB . 27761 1 211 . 1 . 1 50 50 ASN N N 15 120.996 0.3 . 1 . . . . . 107 ASN N . 27761 1 212 . 1 . 1 52 52 THR C C 13 175.289 0.3 . 1 . . . . . 109 THR C . 27761 1 213 . 1 . 1 52 52 THR CA C 13 65.779 0.3 . 1 . . . . . 109 THR CA . 27761 1 214 . 1 . 1 52 52 THR CB C 13 67.046 0.3 . 1 . . . . . 109 THR CB . 27761 1 215 . 1 . 1 53 53 ALA H H 1 7.077 0.020 . 1 . . . . . 110 ALA H . 27761 1 216 . 1 . 1 53 53 ALA C C 13 179.239 0.3 . 1 . . . . . 110 ALA C . 27761 1 217 . 1 . 1 53 53 ALA CA C 13 54.678 0.3 . 1 . . . . . 110 ALA CA . 27761 1 218 . 1 . 1 53 53 ALA CB C 13 17.617 0.3 . 1 . . . . . 110 ALA CB . 27761 1 219 . 1 . 1 53 53 ALA N N 15 125.448 0.3 . 1 . . . . . 110 ALA N . 27761 1 220 . 1 . 1 54 54 ILE H H 1 8.017 0.020 . 1 . . . . . 111 ILE H . 27761 1 221 . 1 . 1 54 54 ILE C C 13 177.564 0.3 . 1 . . . . . 111 ILE C . 27761 1 222 . 1 . 1 54 54 ILE CA C 13 66.801 0.3 . 1 . . . . . 111 ILE CA . 27761 1 223 . 1 . 1 54 54 ILE CB C 13 38.174 0.3 . 1 . . . . . 111 ILE CB . 27761 1 224 . 1 . 1 54 54 ILE N N 15 113.565 0.3 . 1 . . . . . 111 ILE N . 27761 1 225 . 1 . 1 55 55 GLY H H 1 7.792 0.020 . 1 . . . . . 112 GLY H . 27761 1 226 . 1 . 1 55 55 GLY C C 13 174.548 0.3 . 1 . . . . . 112 GLY C . 27761 1 227 . 1 . 1 55 55 GLY CA C 13 47.611 0.3 . 1 . . . . . 112 GLY CA . 27761 1 228 . 1 . 1 55 55 GLY N N 15 103.070 0.3 . 1 . . . . . 112 GLY N . 27761 1 229 . 1 . 1 56 56 ASP H H 1 8.351 0.020 . 1 . . . . . 113 ASP H . 27761 1 230 . 1 . 1 56 56 ASP C C 13 179.284 0.3 . 1 . . . . . 113 ASP C . 27761 1 231 . 1 . 1 56 56 ASP CA C 13 56.852 0.3 . 1 . . . . . 113 ASP CA . 27761 1 232 . 1 . 1 56 56 ASP CB C 13 39.972 0.3 . 1 . . . . . 113 ASP CB . 27761 1 233 . 1 . 1 56 56 ASP N N 15 119.044 0.3 . 1 . . . . . 113 ASP N . 27761 1 234 . 1 . 1 57 57 TYR H H 1 8.139 0.020 . 1 . . . . . 114 TYR H . 27761 1 235 . 1 . 1 57 57 TYR C C 13 179.004 0.3 . 1 . . . . . 114 TYR C . 27761 1 236 . 1 . 1 57 57 TYR CA C 13 62.075 0.3 . 1 . . . . . 114 TYR CA . 27761 1 237 . 1 . 1 57 57 TYR CB C 13 38.371 0.3 . 1 . . . . . 114 TYR CB . 27761 1 238 . 1 . 1 57 57 TYR N N 15 119.344 0.3 . 1 . . . . . 114 TYR N . 27761 1 239 . 1 . 1 58 58 LEU H H 1 8.243 0.020 . 1 . . . . . 115 LEU H . 27761 1 240 . 1 . 1 58 58 LEU C C 13 176.440 0.3 . 1 . . . . . 115 LEU C . 27761 1 241 . 1 . 1 58 58 LEU CA C 13 55.958 0.3 . 1 . . . . . 115 LEU CA . 27761 1 242 . 1 . 1 58 58 LEU CB C 13 41.749 0.3 . 1 . . . . . 115 LEU CB . 27761 1 243 . 1 . 1 58 58 LEU N N 15 115.504 0.3 . 1 . . . . . 115 LEU N . 27761 1 244 . 1 . 1 59 59 GLY H H 1 7.490 0.020 . 1 . . . . . 116 GLY H . 27761 1 245 . 1 . 1 59 59 GLY C C 13 173.970 0.3 . 1 . . . . . 116 GLY C . 27761 1 246 . 1 . 1 59 59 GLY CA C 13 44.681 0.3 . 1 . . . . . 116 GLY CA . 27761 1 247 . 1 . 1 59 59 GLY N N 15 99.627 0.3 . 1 . . . . . 116 GLY N . 27761 1 248 . 1 . 1 60 60 GLU H H 1 6.840 0.020 . 1 . . . . . 117 GLU H . 27761 1 249 . 1 . 1 60 60 GLU C C 13 176.606 0.3 . 1 . . . . . 117 GLU C . 27761 1 250 . 1 . 1 60 60 GLU CA C 13 56.268 0.3 . 1 . . . . . 117 GLU CA . 27761 1 251 . 1 . 1 60 60 GLU CB C 13 29.389 0.3 . 1 . . . . . 117 GLU CB . 27761 1 252 . 1 . 1 60 60 GLU N N 15 119.213 0.3 . 1 . . . . . 117 GLU N . 27761 1 253 . 1 . 1 61 61 ARG H H 1 8.648 0.020 . 1 . . . . . 118 ARG H . 27761 1 254 . 1 . 1 61 61 ARG C C 13 175.319 0.3 . 1 . . . . . 118 ARG C . 27761 1 255 . 1 . 1 61 61 ARG CA C 13 55.517 0.3 . 1 . . . . . 118 ARG CA . 27761 1 256 . 1 . 1 61 61 ARG CB C 13 28.606 0.3 . 1 . . . . . 118 ARG CB . 27761 1 257 . 1 . 1 61 61 ARG N N 15 121.282 0.3 . 1 . . . . . 118 ARG N . 27761 1 258 . 1 . 1 62 62 GLU H H 1 7.236 0.020 . 1 . . . . . 119 GLU H . 27761 1 259 . 1 . 1 62 62 GLU C C 13 176.118 0.3 . 1 . . . . . 119 GLU C . 27761 1 260 . 1 . 1 62 62 GLU CA C 13 55.356 0.3 . 1 . . . . . 119 GLU CA . 27761 1 261 . 1 . 1 62 62 GLU CB C 13 30.389 0.3 . 1 . . . . . 119 GLU CB . 27761 1 262 . 1 . 1 62 62 GLU N N 15 119.534 0.3 . 1 . . . . . 119 GLU N . 27761 1 263 . 1 . 1 63 63 GLU H H 1 8.762 0.020 . 1 . . . . . 120 GLU H . 27761 1 264 . 1 . 1 63 63 GLU C C 13 179.481 0.3 . 1 . . . . . 120 GLU C . 27761 1 265 . 1 . 1 63 63 GLU CA C 13 60.368 0.3 . 1 . . . . . 120 GLU CA . 27761 1 266 . 1 . 1 63 63 GLU CB C 13 28.970 0.3 . 1 . . . . . 120 GLU CB . 27761 1 267 . 1 . 1 63 63 GLU N N 15 120.646 0.3 . 1 . . . . . 120 GLU N . 27761 1 268 . 1 . 1 64 64 LEU H H 1 8.857 0.020 . 1 . . . . . 121 LEU H . 27761 1 269 . 1 . 1 64 64 LEU C C 13 177.644 0.3 . 1 . . . . . 121 LEU C . 27761 1 270 . 1 . 1 64 64 LEU CA C 13 57.555 0.3 . 1 . . . . . 121 LEU CA . 27761 1 271 . 1 . 1 64 64 LEU CB C 13 40.025 0.3 . 1 . . . . . 121 LEU CB . 27761 1 272 . 1 . 1 64 64 LEU N N 15 119.365 0.3 . 1 . . . . . 121 LEU N . 27761 1 273 . 1 . 1 65 65 ASN H H 1 7.619 0.020 . 1 . . . . . 122 ASN H . 27761 1 274 . 1 . 1 65 65 ASN C C 13 176.181 0.3 . 1 . . . . . 122 ASN C . 27761 1 275 . 1 . 1 65 65 ASN CA C 13 57.384 0.3 . 1 . . . . . 122 ASN CA . 27761 1 276 . 1 . 1 65 65 ASN CB C 13 36.028 0.3 . 1 . . . . . 122 ASN CB . 27761 1 277 . 1 . 1 65 65 ASN N N 15 114.604 0.3 . 1 . . . . . 122 ASN N . 27761 1 278 . 1 . 1 66 66 LEU H H 1 8.085 0.020 . 1 . . . . . 123 LEU H . 27761 1 279 . 1 . 1 66 66 LEU C C 13 179.180 0.3 . 1 . . . . . 123 LEU C . 27761 1 280 . 1 . 1 66 66 LEU CA C 13 57.373 0.3 . 1 . . . . . 123 LEU CA . 27761 1 281 . 1 . 1 66 66 LEU CB C 13 40.879 0.3 . 1 . . . . . 123 LEU CB . 27761 1 282 . 1 . 1 66 66 LEU N N 15 117.229 0.3 . 1 . . . . . 123 LEU N . 27761 1 283 . 1 . 1 67 67 ALA H H 1 7.803 0.020 . 1 . . . . . 124 ALA H . 27761 1 284 . 1 . 1 67 67 ALA C C 13 182.106 0.3 . 1 . . . . . 124 ALA C . 27761 1 285 . 1 . 1 67 67 ALA CA C 13 54.634 0.3 . 1 . . . . . 124 ALA CA . 27761 1 286 . 1 . 1 67 67 ALA CB C 13 17.189 0.3 . 1 . . . . . 124 ALA CB . 27761 1 287 . 1 . 1 67 67 ALA N N 15 121.052 0.3 . 1 . . . . . 124 ALA N . 27761 1 288 . 1 . 1 68 68 VAL H H 1 9.071 0.020 . 1 . . . . . 125 VAL H . 27761 1 289 . 1 . 1 68 68 VAL C C 13 177.301 0.3 . 1 . . . . . 125 VAL C . 27761 1 290 . 1 . 1 68 68 VAL CA C 13 66.230 0.3 . 1 . . . . . 125 VAL CA . 27761 1 291 . 1 . 1 68 68 VAL CB C 13 30.115 0.3 . 1 . . . . . 125 VAL CB . 27761 1 292 . 1 . 1 68 68 VAL N N 15 121.134 0.3 . 1 . . . . . 125 VAL N . 27761 1 293 . 1 . 1 69 69 LEU H H 1 8.915 0.020 . 1 . . . . . 126 LEU H . 27761 1 294 . 1 . 1 69 69 LEU C C 13 178.445 0.3 . 1 . . . . . 126 LEU C . 27761 1 295 . 1 . 1 69 69 LEU CA C 13 58.590 0.3 . 1 . . . . . 126 LEU CA . 27761 1 296 . 1 . 1 69 69 LEU CB C 13 38.390 0.3 . 1 . . . . . 126 LEU CB . 27761 1 297 . 1 . 1 69 69 LEU N N 15 120.821 0.3 . 1 . . . . . 126 LEU N . 27761 1 298 . 1 . 1 70 70 HIS H H 1 8.092 0.020 . 1 . . . . . 127 HIS H . 27761 1 299 . 1 . 1 70 70 HIS C C 13 177.426 0.3 . 1 . . . . . 127 HIS C . 27761 1 300 . 1 . 1 70 70 HIS CA C 13 60.138 0.3 . 1 . . . . . 127 HIS CA . 27761 1 301 . 1 . 1 70 70 HIS CB C 13 28.899 0.3 . 1 . . . . . 127 HIS CB . 27761 1 302 . 1 . 1 70 70 HIS N N 15 115.530 0.3 . 1 . . . . . 127 HIS N . 27761 1 303 . 1 . 1 71 71 ALA H H 1 8.063 0.020 . 1 . . . . . 128 ALA H . 27761 1 304 . 1 . 1 71 71 ALA C C 13 178.910 0.3 . 1 . . . . . 128 ALA C . 27761 1 305 . 1 . 1 71 71 ALA CA C 13 54.328 0.3 . 1 . . . . . 128 ALA CA . 27761 1 306 . 1 . 1 71 71 ALA CB C 13 17.341 0.3 . 1 . . . . . 128 ALA CB . 27761 1 307 . 1 . 1 71 71 ALA N N 15 120.165 0.3 . 1 . . . . . 128 ALA N . 27761 1 308 . 1 . 1 72 72 PHE H H 1 9.443 0.020 . 1 . . . . . 129 PHE H . 27761 1 309 . 1 . 1 72 72 PHE C C 13 177.685 0.3 . 1 . . . . . 129 PHE C . 27761 1 310 . 1 . 1 72 72 PHE CA C 13 61.255 0.3 . 1 . . . . . 129 PHE CA . 27761 1 311 . 1 . 1 72 72 PHE CB C 13 39.966 0.3 . 1 . . . . . 129 PHE CB . 27761 1 312 . 1 . 1 72 72 PHE N N 15 119.605 0.3 . 1 . . . . . 129 PHE N . 27761 1 313 . 1 . 1 76 76 HIS C C 13 175.312 0.3 . 1 . . . . . 133 HIS C . 27761 1 314 . 1 . 1 76 76 HIS CA C 13 56.944 0.3 . 1 . . . . . 133 HIS CA . 27761 1 315 . 1 . 1 76 76 HIS CB C 13 32.573 0.3 . 1 . . . . . 133 HIS CB . 27761 1 316 . 1 . 1 77 77 GLU H H 1 8.673 0.020 . 1 . . . . . 134 GLU H . 27761 1 317 . 1 . 1 77 77 GLU C C 13 175.911 0.3 . 1 . . . . . 134 GLU C . 27761 1 318 . 1 . 1 77 77 GLU CA C 13 54.830 0.3 . 1 . . . . . 134 GLU CA . 27761 1 319 . 1 . 1 77 77 GLU CB C 13 29.136 0.3 . 1 . . . . . 134 GLU CB . 27761 1 320 . 1 . 1 77 77 GLU N N 15 123.356 0.3 . 1 . . . . . 134 GLU N . 27761 1 321 . 1 . 1 78 78 PHE H H 1 6.872 0.020 . 1 . . . . . 135 PHE H . 27761 1 322 . 1 . 1 78 78 PHE C C 13 176.253 0.3 . 1 . . . . . 135 PHE C . 27761 1 323 . 1 . 1 78 78 PHE CA C 13 53.077 0.3 . 1 . . . . . 135 PHE CA . 27761 1 324 . 1 . 1 78 78 PHE CB C 13 39.736 0.3 . 1 . . . . . 135 PHE CB . 27761 1 325 . 1 . 1 78 78 PHE N N 15 120.248 0.3 . 1 . . . . . 135 PHE N . 27761 1 326 . 1 . 1 79 79 THR H H 1 8.925 0.020 . 1 . . . . . 136 THR H . 27761 1 327 . 1 . 1 79 79 THR C C 13 174.277 0.3 . 1 . . . . . 136 THR C . 27761 1 328 . 1 . 1 79 79 THR CA C 13 66.289 0.3 . 1 . . . . . 136 THR CA . 27761 1 329 . 1 . 1 79 79 THR CB C 13 67.950 0.3 . 1 . . . . . 136 THR CB . 27761 1 330 . 1 . 1 79 79 THR N N 15 121.785 0.3 . 1 . . . . . 136 THR N . 27761 1 331 . 1 . 1 80 80 ASP H H 1 8.951 0.020 . 1 . . . . . 137 ASP H . 27761 1 332 . 1 . 1 80 80 ASP C C 13 174.773 0.3 . 1 . . . . . 137 ASP C . 27761 1 333 . 1 . 1 80 80 ASP CA C 13 56.549 0.3 . 1 . . . . . 137 ASP CA . 27761 1 334 . 1 . 1 80 80 ASP CB C 13 38.095 0.3 . 1 . . . . . 137 ASP CB . 27761 1 335 . 1 . 1 80 80 ASP N N 15 119.967 0.3 . 1 . . . . . 137 ASP N . 27761 1 336 . 1 . 1 81 81 LEU H H 1 7.728 0.020 . 1 . . . . . 138 LEU H . 27761 1 337 . 1 . 1 81 81 LEU C C 13 178.395 0.3 . 1 . . . . . 138 LEU C . 27761 1 338 . 1 . 1 81 81 LEU CA C 13 53.161 0.3 . 1 . . . . . 138 LEU CA . 27761 1 339 . 1 . 1 81 81 LEU CB C 13 42.654 0.3 . 1 . . . . . 138 LEU CB . 27761 1 340 . 1 . 1 81 81 LEU N N 15 116.590 0.3 . 1 . . . . . 138 LEU N . 27761 1 341 . 1 . 1 82 82 ASN H H 1 9.166 0.020 . 1 . . . . . 139 ASN H . 27761 1 342 . 1 . 1 82 82 ASN C C 13 175.918 0.3 . 1 . . . . . 139 ASN C . 27761 1 343 . 1 . 1 82 82 ASN CA C 13 52.009 0.3 . 1 . . . . . 139 ASN CA . 27761 1 344 . 1 . 1 82 82 ASN CB C 13 37.485 0.3 . 1 . . . . . 139 ASN CB . 27761 1 345 . 1 . 1 82 82 ASN N N 15 119.692 0.3 . 1 . . . . . 139 ASN N . 27761 1 346 . 1 . 1 83 83 LEU H H 1 8.756 0.020 . 1 . . . . . 140 LEU H . 27761 1 347 . 1 . 1 83 83 LEU C C 13 178.806 0.3 . 1 . . . . . 140 LEU C . 27761 1 348 . 1 . 1 83 83 LEU CA C 13 58.582 0.3 . 1 . . . . . 140 LEU CA . 27761 1 349 . 1 . 1 83 83 LEU CB C 13 42.653 0.3 . 1 . . . . . 140 LEU CB . 27761 1 350 . 1 . 1 83 83 LEU N N 15 117.837 0.3 . 1 . . . . . 140 LEU N . 27761 1 351 . 1 . 1 84 84 VAL H H 1 7.427 0.020 . 1 . . . . . 141 VAL H . 27761 1 352 . 1 . 1 84 84 VAL C C 13 177.195 0.3 . 1 . . . . . 141 VAL C . 27761 1 353 . 1 . 1 84 84 VAL CA C 13 66.530 0.3 . 1 . . . . . 141 VAL CA . 27761 1 354 . 1 . 1 84 84 VAL CB C 13 30.512 0.3 . 1 . . . . . 141 VAL CB . 27761 1 355 . 1 . 1 84 84 VAL N N 15 113.434 0.3 . 1 . . . . . 141 VAL N . 27761 1 356 . 1 . 1 85 85 GLN H H 1 8.471 0.020 . 1 . . . . . 142 GLN H . 27761 1 357 . 1 . 1 85 85 GLN C C 13 179.472 0.3 . 1 . . . . . 142 GLN C . 27761 1 358 . 1 . 1 85 85 GLN CA C 13 58.690 0.3 . 1 . . . . . 142 GLN CA . 27761 1 359 . 1 . 1 85 85 GLN CB C 13 28.963 0.3 . 1 . . . . . 142 GLN CB . 27761 1 360 . 1 . 1 85 85 GLN N N 15 118.978 0.3 . 1 . . . . . 142 GLN N . 27761 1 361 . 1 . 1 86 86 ALA H H 1 8.597 0.020 . 1 . . . . . 143 ALA H . 27761 1 362 . 1 . 1 86 86 ALA C C 13 178.550 0.3 . 1 . . . . . 143 ALA C . 27761 1 363 . 1 . 1 86 86 ALA CA C 13 54.792 0.3 . 1 . . . . . 143 ALA CA . 27761 1 364 . 1 . 1 86 86 ALA CB C 13 17.610 0.3 . 1 . . . . . 143 ALA CB . 27761 1 365 . 1 . 1 86 86 ALA N N 15 119.536 0.3 . 1 . . . . . 143 ALA N . 27761 1 366 . 1 . 1 87 87 LEU H H 1 8.440 0.020 . 1 . . . . . 144 LEU H . 27761 1 367 . 1 . 1 87 87 LEU C C 13 179.239 0.3 . 1 . . . . . 144 LEU C . 27761 1 368 . 1 . 1 87 87 LEU CA C 13 57.581 0.3 . 1 . . . . . 144 LEU CA . 27761 1 369 . 1 . 1 87 87 LEU CB C 13 41.425 0.3 . 1 . . . . . 144 LEU CB . 27761 1 370 . 1 . 1 87 87 LEU N N 15 118.841 0.3 . 1 . . . . . 144 LEU N . 27761 1 371 . 1 . 1 88 88 ARG C C 13 178.773 0.3 . 1 . . . . . 145 ARG C . 27761 1 372 . 1 . 1 88 88 ARG CA C 13 57.868 0.3 . 1 . . . . . 145 ARG CA . 27761 1 373 . 1 . 1 88 88 ARG CB C 13 27.190 0.3 . 1 . . . . . 145 ARG CB . 27761 1 374 . 1 . 1 89 89 GLN H H 1 7.286 0.020 . 1 . . . . . 146 GLN H . 27761 1 375 . 1 . 1 89 89 GLN C C 13 177.884 0.3 . 1 . . . . . 146 GLN C . 27761 1 376 . 1 . 1 89 89 GLN CA C 13 59.023 0.3 . 1 . . . . . 146 GLN CA . 27761 1 377 . 1 . 1 89 89 GLN CB C 13 32.557 0.3 . 1 . . . . . 146 GLN CB . 27761 1 378 . 1 . 1 89 89 GLN N N 15 116.335 0.3 . 1 . . . . . 146 GLN N . 27761 1 379 . 1 . 1 90 90 PHE H H 1 7.709 0.020 . 1 . . . . . 147 PHE H . 27761 1 380 . 1 . 1 90 90 PHE C C 13 178.028 0.3 . 1 . . . . . 147 PHE C . 27761 1 381 . 1 . 1 90 90 PHE CA C 13 65.477 0.3 . 1 . . . . . 147 PHE CA . 27761 1 382 . 1 . 1 90 90 PHE CB C 13 37.517 0.3 . 1 . . . . . 147 PHE CB . 27761 1 383 . 1 . 1 90 90 PHE N N 15 117.239 0.3 . 1 . . . . . 147 PHE N . 27761 1 384 . 1 . 1 91 91 LEU H H 1 8.446 0.020 . 1 . . . . . 148 LEU H . 27761 1 385 . 1 . 1 91 91 LEU C C 13 177.895 0.3 . 1 . . . . . 148 LEU C . 27761 1 386 . 1 . 1 91 91 LEU CA C 13 57.854 0.3 . 1 . . . . . 148 LEU CA . 27761 1 387 . 1 . 1 91 91 LEU CB C 13 40.582 0.3 . 1 . . . . . 148 LEU CB . 27761 1 388 . 1 . 1 91 91 LEU N N 15 117.975 0.3 . 1 . . . . . 148 LEU N . 27761 1 389 . 1 . 1 92 92 TRP H H 1 7.350 0.020 . 1 . . . . . 149 TRP H . 27761 1 390 . 1 . 1 92 92 TRP HE1 H 1 9.949 0.020 . 1 . . . . . 149 TRP HE1 . 27761 1 391 . 1 . 1 92 92 TRP C C 13 180.139 0.3 . 1 . . . . . 149 TRP C . 27761 1 392 . 1 . 1 92 92 TRP CA C 13 59.026 0.3 . 1 . . . . . 149 TRP CA . 27761 1 393 . 1 . 1 92 92 TRP CB C 13 29.577 0.3 . 1 . . . . . 149 TRP CB . 27761 1 394 . 1 . 1 92 92 TRP N N 15 115.613 0.3 . 1 . . . . . 149 TRP N . 27761 1 395 . 1 . 1 92 92 TRP NE1 N 15 125.855 0.3 . 1 . . . . . 149 TRP NE1 . 27761 1 396 . 1 . 1 97 97 PRO C C 13 175.240 0.3 . 1 . . . . . 154 PRO C . 27761 1 397 . 1 . 1 97 97 PRO CA C 13 62.100 0.3 . 1 . . . . . 154 PRO CA . 27761 1 398 . 1 . 1 97 97 PRO CB C 13 32.261 0.3 . 1 . . . . . 154 PRO CB . 27761 1 399 . 1 . 1 98 98 GLY H H 1 8.324 0.020 . 1 . . . . . 155 GLY H . 27761 1 400 . 1 . 1 98 98 GLY C C 13 175.185 0.3 . 1 . . . . . 155 GLY C . 27761 1 401 . 1 . 1 98 98 GLY CA C 13 45.177 0.3 . 1 . . . . . 155 GLY CA . 27761 1 402 . 1 . 1 98 98 GLY N N 15 103.161 0.3 . 1 . . . . . 155 GLY N . 27761 1 403 . 1 . 1 99 99 GLU H H 1 7.486 0.020 . 1 . . . . . 156 GLU H . 27761 1 404 . 1 . 1 99 99 GLU C C 13 177.291 0.3 . 1 . . . . . 156 GLU C . 27761 1 405 . 1 . 1 99 99 GLU CA C 13 56.251 0.3 . 1 . . . . . 156 GLU CA . 27761 1 406 . 1 . 1 99 99 GLU CB C 13 29.546 0.3 . 1 . . . . . 156 GLU CB . 27761 1 407 . 1 . 1 99 99 GLU N N 15 118.280 0.3 . 1 . . . . . 156 GLU N . 27761 1 408 . 1 . 1 106 106 MET C C 13 178.111 0.3 . 1 . . . . . 163 MET C . 27761 1 409 . 1 . 1 106 106 MET CA C 13 59.571 0.3 . 1 . . . . . 163 MET CA . 27761 1 410 . 1 . 1 106 106 MET CB C 13 31.682 0.3 . 1 . . . . . 163 MET CB . 27761 1 411 . 1 . 1 107 107 MET H H 1 9.011 0.020 . 1 . . . . . 164 MET H . 27761 1 412 . 1 . 1 107 107 MET C C 13 179.444 0.3 . 1 . . . . . 164 MET C . 27761 1 413 . 1 . 1 107 107 MET CA C 13 55.584 0.3 . 1 . . . . . 164 MET CA . 27761 1 414 . 1 . 1 107 107 MET CB C 13 30.796 0.3 . 1 . . . . . 164 MET CB . 27761 1 415 . 1 . 1 107 107 MET N N 15 116.515 0.3 . 1 . . . . . 164 MET N . 27761 1 416 . 1 . 1 108 108 GLU H H 1 8.740 0.020 . 1 . . . . . 165 GLU H . 27761 1 417 . 1 . 1 108 108 GLU C C 13 178.496 0.3 . 1 . . . . . 165 GLU C . 27761 1 418 . 1 . 1 108 108 GLU CA C 13 60.105 0.3 . 1 . . . . . 165 GLU CA . 27761 1 419 . 1 . 1 108 108 GLU CB C 13 28.561 0.3 . 1 . . . . . 165 GLU CB . 27761 1 420 . 1 . 1 108 108 GLU N N 15 122.002 0.3 . 1 . . . . . 165 GLU N . 27761 1 421 . 1 . 1 109 109 ALA H H 1 7.592 0.020 . 1 . . . . . 166 ALA H . 27761 1 422 . 1 . 1 109 109 ALA C C 13 180.511 0.3 . 1 . . . . . 166 ALA C . 27761 1 423 . 1 . 1 109 109 ALA CA C 13 54.635 0.3 . 1 . . . . . 166 ALA CA . 27761 1 424 . 1 . 1 109 109 ALA CB C 13 16.885 0.3 . 1 . . . . . 166 ALA CB . 27761 1 425 . 1 . 1 109 109 ALA N N 15 119.461 0.3 . 1 . . . . . 166 ALA N . 27761 1 426 . 1 . 1 110 110 PHE H H 1 8.537 0.020 . 1 . . . . . 167 PHE H . 27761 1 427 . 1 . 1 110 110 PHE C C 13 175.450 0.3 . 1 . . . . . 167 PHE C . 27761 1 428 . 1 . 1 110 110 PHE CA C 13 61.678 0.3 . 1 . . . . . 167 PHE CA . 27761 1 429 . 1 . 1 110 110 PHE CB C 13 38.242 0.3 . 1 . . . . . 167 PHE CB . 27761 1 430 . 1 . 1 110 110 PHE N N 15 117.830 0.3 . 1 . . . . . 167 PHE N . 27761 1 431 . 1 . 1 111 111 ALA H H 1 8.809 0.020 . 1 . . . . . 168 ALA H . 27761 1 432 . 1 . 1 111 111 ALA C C 13 179.863 0.3 . 1 . . . . . 168 ALA C . 27761 1 433 . 1 . 1 111 111 ALA CA C 13 54.600 0.3 . 1 . . . . . 168 ALA CA . 27761 1 434 . 1 . 1 111 111 ALA CB C 13 17.480 0.3 . 1 . . . . . 168 ALA CB . 27761 1 435 . 1 . 1 111 111 ALA N N 15 120.730 0.3 . 1 . . . . . 168 ALA N . 27761 1 436 . 1 . 1 112 112 GLN H H 1 7.902 0.020 . 1 . . . . . 169 GLN H . 27761 1 437 . 1 . 1 112 112 GLN C C 13 178.600 0.3 . 1 . . . . . 169 GLN C . 27761 1 438 . 1 . 1 112 112 GLN CA C 13 58.584 0.3 . 1 . . . . . 169 GLN CA . 27761 1 439 . 1 . 1 112 112 GLN CB C 13 27.162 0.3 . 1 . . . . . 169 GLN CB . 27761 1 440 . 1 . 1 112 112 GLN N N 15 114.553 0.3 . 1 . . . . . 169 GLN N . 27761 1 441 . 1 . 1 113 113 ARG H H 1 7.552 0.020 . 1 . . . . . 170 ARG H . 27761 1 442 . 1 . 1 113 113 ARG C C 13 178.386 0.3 . 1 . . . . . 170 ARG C . 27761 1 443 . 1 . 1 113 113 ARG CA C 13 57.199 0.3 . 1 . . . . . 170 ARG CA . 27761 1 444 . 1 . 1 113 113 ARG CB C 13 29.022 0.3 . 1 . . . . . 170 ARG CB . 27761 1 445 . 1 . 1 113 113 ARG N N 15 118.861 0.3 . 1 . . . . . 170 ARG N . 27761 1 446 . 1 . 1 114 114 TYR H H 1 9.375 0.020 . 1 . . . . . 171 TYR H . 27761 1 447 . 1 . 1 114 114 TYR C C 13 178.444 0.3 . 1 . . . . . 171 TYR C . 27761 1 448 . 1 . 1 114 114 TYR CA C 13 64.729 0.3 . 1 . . . . . 171 TYR CA . 27761 1 449 . 1 . 1 114 114 TYR CB C 13 36.998 0.3 . 1 . . . . . 171 TYR CB . 27761 1 450 . 1 . 1 114 114 TYR N N 15 119.711 0.3 . 1 . . . . . 171 TYR N . 27761 1 451 . 1 . 1 115 115 CYS H H 1 8.171 0.020 . 1 . . . . . 172 CYS H . 27761 1 452 . 1 . 1 115 115 CYS C C 13 176.811 0.3 . 1 . . . . . 172 CYS C . 27761 1 453 . 1 . 1 115 115 CYS CA C 13 63.170 0.3 . 1 . . . . . 172 CYS CA . 27761 1 454 . 1 . 1 115 115 CYS CB C 13 27.152 0.3 . 1 . . . . . 172 CYS CB . 27761 1 455 . 1 . 1 115 115 CYS N N 15 114.455 0.3 . 1 . . . . . 172 CYS N . 27761 1 456 . 1 . 1 116 116 LEU H H 1 7.673 0.020 . 1 . . . . . 173 LEU H . 27761 1 457 . 1 . 1 116 116 LEU C C 13 179.519 0.3 . 1 . . . . . 173 LEU C . 27761 1 458 . 1 . 1 116 116 LEU CA C 13 57.438 0.3 . 1 . . . . . 173 LEU CA . 27761 1 459 . 1 . 1 116 116 LEU CB C 13 41.144 0.3 . 1 . . . . . 173 LEU CB . 27761 1 460 . 1 . 1 116 116 LEU N N 15 120.042 0.3 . 1 . . . . . 173 LEU N . 27761 1 461 . 1 . 1 117 117 CYS H H 1 7.791 0.020 . 1 . . . . . 174 CYS H . 27761 1 462 . 1 . 1 117 117 CYS C C 13 173.894 0.3 . 1 . . . . . 174 CYS C . 27761 1 463 . 1 . 1 117 117 CYS CA C 13 61.834 0.3 . 1 . . . . . 174 CYS CA . 27761 1 464 . 1 . 1 117 117 CYS CB C 13 28.012 0.3 . 1 . . . . . 174 CYS CB . 27761 1 465 . 1 . 1 117 117 CYS N N 15 112.852 0.3 . 1 . . . . . 174 CYS N . 27761 1 466 . 1 . 1 118 118 ASN H H 1 7.412 0.020 . 1 . . . . . 175 ASN H . 27761 1 467 . 1 . 1 118 118 ASN C C 13 170.958 0.3 . 1 . . . . . 175 ASN C . 27761 1 468 . 1 . 1 118 118 ASN CA C 13 50.828 0.3 . 1 . . . . . 175 ASN CA . 27761 1 469 . 1 . 1 118 118 ASN CB C 13 39.435 0.3 . 1 . . . . . 175 ASN CB . 27761 1 470 . 1 . 1 118 118 ASN N N 15 114.268 0.3 . 1 . . . . . 175 ASN N . 27761 1 471 . 1 . 1 119 119 PRO C C 13 178.214 0.3 . 1 . . . . . 176 PRO C . 27761 1 472 . 1 . 1 119 119 PRO CA C 13 58.372 0.3 . 1 . . . . . 176 PRO CA . 27761 1 473 . 1 . 1 119 119 PRO CB C 13 31.279 0.3 . 1 . . . . . 176 PRO CB . 27761 1 474 . 1 . 1 120 120 GLY H H 1 8.781 0.020 . 1 . . . . . 177 GLY H . 27761 1 475 . 1 . 1 120 120 GLY C C 13 174.427 0.3 . 1 . . . . . 177 GLY C . 27761 1 476 . 1 . 1 120 120 GLY CA C 13 47.294 0.3 . 1 . . . . . 177 GLY CA . 27761 1 477 . 1 . 1 120 120 GLY N N 15 107.518 0.3 . 1 . . . . . 177 GLY N . 27761 1 478 . 1 . 1 121 121 VAL H H 1 7.366 0.020 . 1 . . . . . 178 VAL H . 27761 1 479 . 1 . 1 121 121 VAL C C 13 175.841 0.3 . 1 . . . . . 178 VAL C . 27761 1 480 . 1 . 1 121 121 VAL CA C 13 65.578 0.3 . 1 . . . . . 178 VAL CA . 27761 1 481 . 1 . 1 121 121 VAL CB C 13 31.091 0.3 . 1 . . . . . 178 VAL CB . 27761 1 482 . 1 . 1 121 121 VAL N N 15 120.740 0.3 . 1 . . . . . 178 VAL N . 27761 1 483 . 1 . 1 122 122 PHE H H 1 8.862 0.020 . 1 . . . . . 179 PHE H . 27761 1 484 . 1 . 1 122 122 PHE C C 13 176.552 0.3 . 1 . . . . . 179 PHE C . 27761 1 485 . 1 . 1 122 122 PHE CA C 13 55.663 0.3 . 1 . . . . . 179 PHE CA . 27761 1 486 . 1 . 1 122 122 PHE CB C 13 40.939 0.3 . 1 . . . . . 179 PHE CB . 27761 1 487 . 1 . 1 122 122 PHE N N 15 114.606 0.3 . 1 . . . . . 179 PHE N . 27761 1 488 . 1 . 1 123 123 GLN H H 1 9.569 0.020 . 1 . . . . . 180 GLN H . 27761 1 489 . 1 . 1 123 123 GLN C C 13 175.798 0.3 . 1 . . . . . 180 GLN C . 27761 1 490 . 1 . 1 123 123 GLN CA C 13 54.591 0.3 . 1 . . . . . 180 GLN CA . 27761 1 491 . 1 . 1 123 123 GLN CB C 13 28.054 0.3 . 1 . . . . . 180 GLN CB . 27761 1 492 . 1 . 1 123 123 GLN N N 15 120.172 0.3 . 1 . . . . . 180 GLN N . 27761 1 493 . 1 . 1 124 124 SER H H 1 7.610 0.020 . 1 . . . . . 181 SER H . 27761 1 494 . 1 . 1 124 124 SER C C 13 174.841 0.3 . 1 . . . . . 181 SER C . 27761 1 495 . 1 . 1 124 124 SER CA C 13 55.697 0.3 . 1 . . . . . 181 SER CA . 27761 1 496 . 1 . 1 124 124 SER CB C 13 65.417 0.3 . 1 . . . . . 181 SER CB . 27761 1 497 . 1 . 1 124 124 SER N N 15 108.337 0.3 . 1 . . . . . 181 SER N . 27761 1 498 . 1 . 1 125 125 THR C C 13 177.705 0.3 . 1 . . . . . 182 THR C . 27761 1 499 . 1 . 1 125 125 THR CA C 13 64.891 0.3 . 1 . . . . . 182 THR CA . 27761 1 500 . 1 . 1 125 125 THR CB C 13 67.631 0.3 . 1 . . . . . 182 THR CB . 27761 1 501 . 1 . 1 126 126 ASP H H 1 8.235 0.020 . 1 . . . . . 183 ASP H . 27761 1 502 . 1 . 1 126 126 ASP C C 13 178.379 0.3 . 1 . . . . . 183 ASP C . 27761 1 503 . 1 . 1 126 126 ASP CA C 13 57.142 0.3 . 1 . . . . . 183 ASP CA . 27761 1 504 . 1 . 1 126 126 ASP CB C 13 39.972 0.3 . 1 . . . . . 183 ASP CB . 27761 1 505 . 1 . 1 126 126 ASP N N 15 120.805 0.3 . 1 . . . . . 183 ASP N . 27761 1 506 . 1 . 1 127 127 THR H H 1 7.707 0.020 . 1 . . . . . 184 THR H . 27761 1 507 . 1 . 1 127 127 THR C C 13 174.655 0.3 . 1 . . . . . 184 THR C . 27761 1 508 . 1 . 1 127 127 THR CA C 13 66.539 0.3 . 1 . . . . . 184 THR CA . 27761 1 509 . 1 . 1 127 127 THR CB C 13 68.530 0.3 . 1 . . . . . 184 THR CB . 27761 1 510 . 1 . 1 127 127 THR N N 15 114.635 0.3 . 1 . . . . . 184 THR N . 27761 1 511 . 1 . 1 128 128 CYS H H 1 6.691 0.020 . 1 . . . . . 185 CYS H . 27761 1 512 . 1 . 1 128 128 CYS C C 13 176.217 0.3 . 1 . . . . . 185 CYS C . 27761 1 513 . 1 . 1 128 128 CYS CA C 13 61.551 0.3 . 1 . . . . . 185 CYS CA . 27761 1 514 . 1 . 1 128 128 CYS CB C 13 26.698 0.3 . 1 . . . . . 185 CYS CB . 27761 1 515 . 1 . 1 128 128 CYS N N 15 117.503 0.3 . 1 . . . . . 185 CYS N . 27761 1 516 . 1 . 1 129 129 TYR H H 1 8.590 0.020 . 1 . . . . . 186 TYR H . 27761 1 517 . 1 . 1 129 129 TYR C C 13 176.067 0.3 . 1 . . . . . 186 TYR C . 27761 1 518 . 1 . 1 129 129 TYR CA C 13 61.367 0.3 . 1 . . . . . 186 TYR CA . 27761 1 519 . 1 . 1 129 129 TYR CB C 13 37.818 0.3 . 1 . . . . . 186 TYR CB . 27761 1 520 . 1 . 1 129 129 TYR N N 15 122.419 0.3 . 1 . . . . . 186 TYR N . 27761 1 521 . 1 . 1 130 130 VAL H H 1 8.468 0.020 . 1 . . . . . 187 VAL H . 27761 1 522 . 1 . 1 130 130 VAL C C 13 179.869 0.3 . 1 . . . . . 187 VAL C . 27761 1 523 . 1 . 1 130 130 VAL CA C 13 66.232 0.3 . 1 . . . . . 187 VAL CA . 27761 1 524 . 1 . 1 130 130 VAL CB C 13 31.049 0.3 . 1 . . . . . 187 VAL CB . 27761 1 525 . 1 . 1 130 130 VAL N N 15 117.428 0.3 . 1 . . . . . 187 VAL N . 27761 1 526 . 1 . 1 131 131 LEU H H 1 8.227 0.020 . 1 . . . . . 188 LEU H . 27761 1 527 . 1 . 1 131 131 LEU C C 13 178.372 0.3 . 1 . . . . . 188 LEU C . 27761 1 528 . 1 . 1 131 131 LEU CA C 13 56.979 0.3 . 1 . . . . . 188 LEU CA . 27761 1 529 . 1 . 1 131 131 LEU CB C 13 40.720 0.3 . 1 . . . . . 188 LEU CB . 27761 1 530 . 1 . 1 131 131 LEU N N 15 120.267 0.3 . 1 . . . . . 188 LEU N . 27761 1 531 . 1 . 1 132 132 SER H H 1 8.542 0.020 . 1 . . . . . 189 SER H . 27761 1 532 . 1 . 1 132 132 SER C C 13 175.874 0.3 . 1 . . . . . 189 SER C . 27761 1 533 . 1 . 1 132 132 SER CA C 13 63.681 0.3 . 1 . . . . . 189 SER CA . 27761 1 534 . 1 . 1 132 132 SER CB C 13 62.260 0.3 . 1 . . . . . 189 SER CB . 27761 1 535 . 1 . 1 132 132 SER N N 15 115.614 0.3 . 1 . . . . . 189 SER N . 27761 1 536 . 1 . 1 133 133 PHE H H 1 7.727 0.020 . 1 . . . . . 190 PHE H . 27761 1 537 . 1 . 1 133 133 PHE C C 13 178.199 0.3 . 1 . . . . . 190 PHE C . 27761 1 538 . 1 . 1 133 133 PHE CA C 13 62.095 0.3 . 1 . . . . . 190 PHE CA . 27761 1 539 . 1 . 1 133 133 PHE CB C 13 38.239 0.3 . 1 . . . . . 190 PHE CB . 27761 1 540 . 1 . 1 133 133 PHE N N 15 118.720 0.3 . 1 . . . . . 190 PHE N . 27761 1 541 . 1 . 1 134 134 ALA H H 1 8.174 0.020 . 1 . . . . . 191 ALA H . 27761 1 542 . 1 . 1 134 134 ALA C C 13 181.176 0.3 . 1 . . . . . 191 ALA C . 27761 1 543 . 1 . 1 134 134 ALA CA C 13 54.909 0.3 . 1 . . . . . 191 ALA CA . 27761 1 544 . 1 . 1 134 134 ALA CB C 13 17.329 0.3 . 1 . . . . . 191 ALA CB . 27761 1 545 . 1 . 1 134 134 ALA N N 15 120.727 0.3 . 1 . . . . . 191 ALA N . 27761 1 546 . 1 . 1 135 135 VAL H H 1 8.641 0.020 . 1 . . . . . 192 VAL H . 27761 1 547 . 1 . 1 135 135 VAL C C 13 177.615 0.3 . 1 . . . . . 192 VAL C . 27761 1 548 . 1 . 1 135 135 VAL CA C 13 66.322 0.3 . 1 . . . . . 192 VAL CA . 27761 1 549 . 1 . 1 135 135 VAL CB C 13 30.386 0.3 . 1 . . . . . 192 VAL CB . 27761 1 550 . 1 . 1 135 135 VAL N N 15 117.851 0.3 . 1 . . . . . 192 VAL N . 27761 1 551 . 1 . 1 136 136 ILE H H 1 8.017 0.020 . 1 . . . . . 193 ILE H . 27761 1 552 . 1 . 1 136 136 ILE C C 13 179.326 0.3 . 1 . . . . . 193 ILE C . 27761 1 553 . 1 . 1 136 136 ILE CA C 13 65.432 0.3 . 1 . . . . . 193 ILE CA . 27761 1 554 . 1 . 1 136 136 ILE CB C 13 36.361 0.3 . 1 . . . . . 193 ILE CB . 27761 1 555 . 1 . 1 136 136 ILE N N 15 120.428 0.3 . 1 . . . . . 193 ILE N . 27761 1 556 . 1 . 1 137 137 MET H H 1 8.448 0.020 . 1 . . . . . 194 MET H . 27761 1 557 . 1 . 1 137 137 MET C C 13 179.246 0.3 . 1 . . . . . 194 MET C . 27761 1 558 . 1 . 1 137 137 MET CA C 13 57.661 0.3 . 1 . . . . . 194 MET CA . 27761 1 559 . 1 . 1 137 137 MET CB C 13 30.588 0.3 . 1 . . . . . 194 MET CB . 27761 1 560 . 1 . 1 137 137 MET N N 15 118.554 0.3 . 1 . . . . . 194 MET N . 27761 1 561 . 1 . 1 138 138 LEU H H 1 8.494 0.020 . 1 . . . . . 195 LEU H . 27761 1 562 . 1 . 1 138 138 LEU C C 13 178.019 0.3 . 1 . . . . . 195 LEU C . 27761 1 563 . 1 . 1 138 138 LEU CA C 13 57.329 0.3 . 1 . . . . . 195 LEU CA . 27761 1 564 . 1 . 1 138 138 LEU CB C 13 40.437 0.3 . 1 . . . . . 195 LEU CB . 27761 1 565 . 1 . 1 138 138 LEU N N 15 121.864 0.3 . 1 . . . . . 195 LEU N . 27761 1 566 . 1 . 1 139 139 ASN H H 1 8.153 0.020 . 1 . . . . . 196 ASN H . 27761 1 567 . 1 . 1 139 139 ASN C C 13 176.864 0.3 . 1 . . . . . 196 ASN C . 27761 1 568 . 1 . 1 139 139 ASN CA C 13 57.564 0.3 . 1 . . . . . 196 ASN CA . 27761 1 569 . 1 . 1 139 139 ASN CB C 13 39.705 0.3 . 1 . . . . . 196 ASN CB . 27761 1 570 . 1 . 1 139 139 ASN N N 15 115.823 0.3 . 1 . . . . . 196 ASN N . 27761 1 571 . 1 . 1 140 140 THR H H 1 7.842 0.020 . 1 . . . . . 197 THR H . 27761 1 572 . 1 . 1 140 140 THR C C 13 175.478 0.3 . 1 . . . . . 197 THR C . 27761 1 573 . 1 . 1 140 140 THR CA C 13 65.922 0.3 . 1 . . . . . 197 THR CA . 27761 1 574 . 1 . 1 140 140 THR CB C 13 68.563 0.3 . 1 . . . . . 197 THR CB . 27761 1 575 . 1 . 1 140 140 THR N N 15 112.861 0.3 . 1 . . . . . 197 THR N . 27761 1 576 . 1 . 1 141 141 SER H H 1 8.381 0.020 . 1 . . . . . 198 SER H . 27761 1 577 . 1 . 1 141 141 SER C C 13 176.455 0.3 . 1 . . . . . 198 SER C . 27761 1 578 . 1 . 1 141 141 SER CA C 13 61.725 0.3 . 1 . . . . . 198 SER CA . 27761 1 579 . 1 . 1 141 141 SER CB C 13 62.880 0.3 . 1 . . . . . 198 SER CB . 27761 1 580 . 1 . 1 141 141 SER N N 15 114.965 0.3 . 1 . . . . . 198 SER N . 27761 1 581 . 1 . 1 142 142 LEU H H 1 8.501 0.020 . 1 . . . . . 199 LEU H . 27761 1 582 . 1 . 1 142 142 LEU C C 13 178.748 0.3 . 1 . . . . . 199 LEU C . 27761 1 583 . 1 . 1 142 142 LEU CA C 13 56.691 0.3 . 1 . . . . . 199 LEU CA . 27761 1 584 . 1 . 1 142 142 LEU CB C 13 39.905 0.3 . 1 . . . . . 199 LEU CB . 27761 1 585 . 1 . 1 142 142 LEU N N 15 115.414 0.3 . 1 . . . . . 199 LEU N . 27761 1 586 . 1 . 1 143 143 HIS H H 1 7.182 0.020 . 1 . . . . . 200 HIS H . 27761 1 587 . 1 . 1 143 143 HIS C C 13 175.362 0.3 . 1 . . . . . 200 HIS C . 27761 1 588 . 1 . 1 143 143 HIS CA C 13 56.079 0.3 . 1 . . . . . 200 HIS CA . 27761 1 589 . 1 . 1 143 143 HIS CB C 13 30.554 0.3 . 1 . . . . . 200 HIS CB . 27761 1 590 . 1 . 1 143 143 HIS N N 15 112.435 0.3 . 1 . . . . . 200 HIS N . 27761 1 591 . 1 . 1 145 145 PRO C C 13 177.288 0.3 . 1 . . . . . 202 PRO C . 27761 1 592 . 1 . 1 145 145 PRO CA C 13 63.700 0.3 . 1 . . . . . 202 PRO CA . 27761 1 593 . 1 . 1 145 145 PRO CB C 13 31.183 0.3 . 1 . . . . . 202 PRO CB . 27761 1 594 . 1 . 1 146 146 ASN H H 1 8.395 0.020 . 1 . . . . . 203 ASN H . 27761 1 595 . 1 . 1 146 146 ASN C C 13 175.313 0.3 . 1 . . . . . 203 ASN C . 27761 1 596 . 1 . 1 146 146 ASN CA C 13 53.404 0.3 . 1 . . . . . 203 ASN CA . 27761 1 597 . 1 . 1 146 146 ASN CB C 13 38.172 0.3 . 1 . . . . . 203 ASN CB . 27761 1 598 . 1 . 1 146 146 ASN N N 15 113.650 0.3 . 1 . . . . . 203 ASN N . 27761 1 599 . 1 . 1 147 147 VAL H H 1 7.505 0.020 . 1 . . . . . 204 VAL H . 27761 1 600 . 1 . 1 147 147 VAL C C 13 175.701 0.3 . 1 . . . . . 204 VAL C . 27761 1 601 . 1 . 1 147 147 VAL CA C 13 62.102 0.3 . 1 . . . . . 204 VAL CA . 27761 1 602 . 1 . 1 147 147 VAL CB C 13 30.965 0.3 . 1 . . . . . 204 VAL CB . 27761 1 603 . 1 . 1 147 147 VAL N N 15 119.889 0.3 . 1 . . . . . 204 VAL N . 27761 1 604 . 1 . 1 151 151 PRO C C 13 177.587 0.3 . 1 . . . . . 208 PRO C . 27761 1 605 . 1 . 1 151 151 PRO CA C 13 62.524 0.3 . 1 . . . . . 208 PRO CA . 27761 1 606 . 1 . 1 151 151 PRO CB C 13 30.989 0.3 . 1 . . . . . 208 PRO CB . 27761 1 607 . 1 . 1 152 152 GLY H H 1 8.378 0.020 . 1 . . . . . 209 GLY H . 27761 1 608 . 1 . 1 152 152 GLY C C 13 173.385 0.3 . 1 . . . . . 209 GLY C . 27761 1 609 . 1 . 1 152 152 GLY CA C 13 43.550 0.3 . 1 . . . . . 209 GLY CA . 27761 1 610 . 1 . 1 152 152 GLY N N 15 110.519 0.3 . 1 . . . . . 209 GLY N . 27761 1 611 . 1 . 1 153 153 LEU H H 1 8.343 0.020 . 1 . . . . . 210 LEU H . 27761 1 612 . 1 . 1 153 153 LEU C C 13 178.198 0.3 . 1 . . . . . 210 LEU C . 27761 1 613 . 1 . 1 153 153 LEU CA C 13 57.742 0.3 . 1 . . . . . 210 LEU CA . 27761 1 614 . 1 . 1 153 153 LEU CB C 13 40.159 0.3 . 1 . . . . . 210 LEU CB . 27761 1 615 . 1 . 1 153 153 LEU N N 15 121.794 0.3 . 1 . . . . . 210 LEU N . 27761 1 616 . 1 . 1 154 154 GLU H H 1 8.797 0.020 . 1 . . . . . 211 GLU H . 27761 1 617 . 1 . 1 154 154 GLU C C 13 179.476 0.3 . 1 . . . . . 211 GLU C . 27761 1 618 . 1 . 1 154 154 GLU CA C 13 59.474 0.3 . 1 . . . . . 211 GLU CA . 27761 1 619 . 1 . 1 154 154 GLU CB C 13 27.127 0.3 . 1 . . . . . 211 GLU CB . 27761 1 620 . 1 . 1 154 154 GLU N N 15 114.197 0.3 . 1 . . . . . 211 GLU N . 27761 1 621 . 1 . 1 155 155 ARG H H 1 7.487 0.020 . 1 . . . . . 212 ARG H . 27761 1 622 . 1 . 1 155 155 ARG C C 13 177.639 0.3 . 1 . . . . . 212 ARG C . 27761 1 623 . 1 . 1 155 155 ARG CA C 13 57.644 0.3 . 1 . . . . . 212 ARG CA . 27761 1 624 . 1 . 1 155 155 ARG CB C 13 28.880 0.3 . 1 . . . . . 212 ARG CB . 27761 1 625 . 1 . 1 155 155 ARG N N 15 119.583 0.3 . 1 . . . . . 212 ARG N . 27761 1 626 . 1 . 1 156 156 PHE H H 1 7.994 0.020 . 1 . . . . . 213 PHE H . 27761 1 627 . 1 . 1 156 156 PHE C C 13 177.665 0.3 . 1 . . . . . 213 PHE C . 27761 1 628 . 1 . 1 156 156 PHE CA C 13 60.764 0.3 . 1 . . . . . 213 PHE CA . 27761 1 629 . 1 . 1 156 156 PHE CB C 13 39.175 0.3 . 1 . . . . . 213 PHE CB . 27761 1 630 . 1 . 1 156 156 PHE N N 15 119.945 0.3 . 1 . . . . . 213 PHE N . 27761 1 631 . 1 . 1 157 157 VAL H H 1 8.657 0.020 . 1 . . . . . 214 VAL H . 27761 1 632 . 1 . 1 157 157 VAL C C 13 178.961 0.3 . 1 . . . . . 214 VAL C . 27761 1 633 . 1 . 1 157 157 VAL CA C 13 66.342 0.3 . 1 . . . . . 214 VAL CA . 27761 1 634 . 1 . 1 157 157 VAL CB C 13 30.924 0.3 . 1 . . . . . 214 VAL CB . 27761 1 635 . 1 . 1 157 157 VAL N N 15 118.355 0.3 . 1 . . . . . 214 VAL N . 27761 1 636 . 1 . 1 158 158 ALA H H 1 7.932 0.020 . 1 . . . . . 215 ALA H . 27761 1 637 . 1 . 1 158 158 ALA C C 13 181.261 0.3 . 1 . . . . . 215 ALA C . 27761 1 638 . 1 . 1 158 158 ALA CA C 13 54.740 0.3 . 1 . . . . . 215 ALA CA . 27761 1 639 . 1 . 1 158 158 ALA CB C 13 17.482 0.3 . 1 . . . . . 215 ALA CB . 27761 1 640 . 1 . 1 158 158 ALA N N 15 120.532 0.3 . 1 . . . . . 215 ALA N . 27761 1 641 . 1 . 1 159 159 MET H H 1 8.387 0.020 . 1 . . . . . 216 MET H . 27761 1 642 . 1 . 1 159 159 MET C C 13 176.475 0.3 . 1 . . . . . 216 MET C . 27761 1 643 . 1 . 1 159 159 MET CA C 13 57.551 0.3 . 1 . . . . . 216 MET CA . 27761 1 644 . 1 . 1 159 159 MET CB C 13 32.278 0.3 . 1 . . . . . 216 MET CB . 27761 1 645 . 1 . 1 159 159 MET N N 15 114.797 0.3 . 1 . . . . . 216 MET N . 27761 1 646 . 1 . 1 160 160 ASN H H 1 6.977 0.020 . 1 . . . . . 217 ASN H . 27761 1 647 . 1 . 1 160 160 ASN C C 13 174.638 0.3 . 1 . . . . . 217 ASN C . 27761 1 648 . 1 . 1 160 160 ASN CA C 13 53.352 0.3 . 1 . . . . . 217 ASN CA . 27761 1 649 . 1 . 1 160 160 ASN CB C 13 39.598 0.3 . 1 . . . . . 217 ASN CB . 27761 1 650 . 1 . 1 160 160 ASN N N 15 113.300 0.3 . 1 . . . . . 217 ASN N . 27761 1 651 . 1 . 1 161 161 ARG H H 1 7.339 0.020 . 1 . . . . . 218 ARG H . 27761 1 652 . 1 . 1 161 161 ARG C C 13 178.491 0.3 . 1 . . . . . 218 ARG C . 27761 1 653 . 1 . 1 161 161 ARG CA C 13 57.593 0.3 . 1 . . . . . 218 ARG CA . 27761 1 654 . 1 . 1 161 161 ARG CB C 13 28.965 0.3 . 1 . . . . . 218 ARG CB . 27761 1 655 . 1 . 1 161 161 ARG N N 15 121.793 0.3 . 1 . . . . . 218 ARG N . 27761 1 656 . 1 . 1 162 162 GLY H H 1 8.912 0.020 . 1 . . . . . 219 GLY H . 27761 1 657 . 1 . 1 162 162 GLY C C 13 176.156 0.3 . 1 . . . . . 219 GLY C . 27761 1 658 . 1 . 1 162 162 GLY CA C 13 45.985 0.3 . 1 . . . . . 219 GLY CA . 27761 1 659 . 1 . 1 162 162 GLY N N 15 109.406 0.3 . 1 . . . . . 219 GLY N . 27761 1 660 . 1 . 1 163 163 ILE H H 1 7.086 0.020 . 1 . . . . . 220 ILE H . 27761 1 661 . 1 . 1 163 163 ILE C C 13 175.934 0.3 . 1 . . . . . 220 ILE C . 27761 1 662 . 1 . 1 163 163 ILE CA C 13 62.520 0.3 . 1 . . . . . 220 ILE CA . 27761 1 663 . 1 . 1 163 163 ILE CB C 13 37.661 0.3 . 1 . . . . . 220 ILE CB . 27761 1 664 . 1 . 1 163 163 ILE N N 15 110.469 0.3 . 1 . . . . . 220 ILE N . 27761 1 665 . 1 . 1 164 164 ASN H H 1 8.616 0.020 . 1 . . . . . 221 ASN H . 27761 1 666 . 1 . 1 164 164 ASN C C 13 174.824 0.3 . 1 . . . . . 221 ASN C . 27761 1 667 . 1 . 1 164 164 ASN CA C 13 50.766 0.3 . 1 . . . . . 221 ASN CA . 27761 1 668 . 1 . 1 164 164 ASN CB C 13 37.350 0.3 . 1 . . . . . 221 ASN CB . 27761 1 669 . 1 . 1 164 164 ASN N N 15 120.090 0.3 . 1 . . . . . 221 ASN N . 27761 1 670 . 1 . 1 165 165 GLU H H 1 8.540 0.020 . 1 . . . . . 222 GLU H . 27761 1 671 . 1 . 1 165 165 GLU C C 13 176.298 0.3 . 1 . . . . . 222 GLU C . 27761 1 672 . 1 . 1 165 165 GLU CA C 13 56.571 0.3 . 1 . . . . . 222 GLU CA . 27761 1 673 . 1 . 1 165 165 GLU CB C 13 27.254 0.3 . 1 . . . . . 222 GLU CB . 27761 1 674 . 1 . 1 165 165 GLU N N 15 120.812 0.3 . 1 . . . . . 222 GLU N . 27761 1 675 . 1 . 1 166 166 GLY H H 1 7.722 0.020 . 1 . . . . . 223 GLY H . 27761 1 676 . 1 . 1 166 166 GLY C C 13 174.735 0.3 . 1 . . . . . 223 GLY C . 27761 1 677 . 1 . 1 166 166 GLY CA C 13 45.024 0.3 . 1 . . . . . 223 GLY CA . 27761 1 678 . 1 . 1 166 166 GLY N N 15 105.278 0.3 . 1 . . . . . 223 GLY N . 27761 1 679 . 1 . 1 167 167 GLY H H 1 7.481 0.020 . 1 . . . . . 224 GLY H . 27761 1 680 . 1 . 1 167 167 GLY C C 13 172.915 0.3 . 1 . . . . . 224 GLY C . 27761 1 681 . 1 . 1 167 167 GLY CA C 13 43.210 0.3 . 1 . . . . . 224 GLY CA . 27761 1 682 . 1 . 1 167 167 GLY N N 15 107.653 0.3 . 1 . . . . . 224 GLY N . 27761 1 683 . 1 . 1 168 168 ASP H H 1 8.565 0.020 . 1 . . . . . 225 ASP H . 27761 1 684 . 1 . 1 168 168 ASP C C 13 178.282 0.3 . 1 . . . . . 225 ASP C . 27761 1 685 . 1 . 1 168 168 ASP CA C 13 53.054 0.3 . 1 . . . . . 225 ASP CA . 27761 1 686 . 1 . 1 168 168 ASP CB C 13 41.476 0.3 . 1 . . . . . 225 ASP CB . 27761 1 687 . 1 . 1 168 168 ASP N N 15 118.946 0.3 . 1 . . . . . 225 ASP N . 27761 1 688 . 1 . 1 169 169 LEU H H 1 9.622 0.020 . 1 . . . . . 226 LEU H . 27761 1 689 . 1 . 1 169 169 LEU C C 13 173.979 0.3 . 1 . . . . . 226 LEU C . 27761 1 690 . 1 . 1 169 169 LEU CA C 13 52.436 0.3 . 1 . . . . . 226 LEU CA . 27761 1 691 . 1 . 1 169 169 LEU CB C 13 39.976 0.3 . 1 . . . . . 226 LEU CB . 27761 1 692 . 1 . 1 169 169 LEU N N 15 122.842 0.3 . 1 . . . . . 226 LEU N . 27761 1 693 . 1 . 1 170 170 PRO C C 13 178.032 0.3 . 1 . . . . . 227 PRO C . 27761 1 694 . 1 . 1 170 170 PRO CA C 13 62.545 0.3 . 1 . . . . . 227 PRO CA . 27761 1 695 . 1 . 1 170 170 PRO CB C 13 31.224 0.3 . 1 . . . . . 227 PRO CB . 27761 1 696 . 1 . 1 171 171 GLU H H 1 8.915 0.020 . 1 . . . . . 228 GLU H . 27761 1 697 . 1 . 1 171 171 GLU C C 13 178.441 0.3 . 1 . . . . . 228 GLU C . 27761 1 698 . 1 . 1 171 171 GLU CA C 13 60.084 0.3 . 1 . . . . . 228 GLU CA . 27761 1 699 . 1 . 1 171 171 GLU CB C 13 28.594 0.3 . 1 . . . . . 228 GLU CB . 27761 1 700 . 1 . 1 171 171 GLU N N 15 125.612 0.3 . 1 . . . . . 228 GLU N . 27761 1 701 . 1 . 1 172 172 GLU H H 1 9.139 0.020 . 1 . . . . . 229 GLU H . 27761 1 702 . 1 . 1 172 172 GLU C C 13 178.372 0.3 . 1 . . . . . 229 GLU C . 27761 1 703 . 1 . 1 172 172 GLU CA C 13 59.022 0.3 . 1 . . . . . 229 GLU CA . 27761 1 704 . 1 . 1 172 172 GLU CB C 13 28.245 0.3 . 1 . . . . . 229 GLU CB . 27761 1 705 . 1 . 1 172 172 GLU N N 15 115.615 0.3 . 1 . . . . . 229 GLU N . 27761 1 706 . 1 . 1 173 173 LEU H H 1 6.903 0.020 . 1 . . . . . 230 LEU H . 27761 1 707 . 1 . 1 173 173 LEU C C 13 179.008 0.3 . 1 . . . . . 230 LEU C . 27761 1 708 . 1 . 1 173 173 LEU CA C 13 57.764 0.3 . 1 . . . . . 230 LEU CA . 27761 1 709 . 1 . 1 173 173 LEU CB C 13 41.137 0.3 . 1 . . . . . 230 LEU CB . 27761 1 710 . 1 . 1 173 173 LEU N N 15 118.640 0.3 . 1 . . . . . 230 LEU N . 27761 1 711 . 1 . 1 174 174 LEU H H 1 7.293 0.020 . 1 . . . . . 231 LEU H . 27761 1 712 . 1 . 1 174 174 LEU C C 13 178.793 0.3 . 1 . . . . . 231 LEU C . 27761 1 713 . 1 . 1 174 174 LEU CA C 13 57.891 0.3 . 1 . . . . . 231 LEU CA . 27761 1 714 . 1 . 1 174 174 LEU CB C 13 40.769 0.3 . 1 . . . . . 231 LEU CB . 27761 1 715 . 1 . 1 174 174 LEU N N 15 116.177 0.3 . 1 . . . . . 231 LEU N . 27761 1 716 . 1 . 1 175 175 ARG H H 1 8.924 0.020 . 1 . . . . . 232 ARG H . 27761 1 717 . 1 . 1 175 175 ARG C C 13 177.595 0.3 . 1 . . . . . 232 ARG C . 27761 1 718 . 1 . 1 175 175 ARG CA C 13 59.206 0.3 . 1 . . . . . 232 ARG CA . 27761 1 719 . 1 . 1 175 175 ARG CB C 13 28.847 0.3 . 1 . . . . . 232 ARG CB . 27761 1 720 . 1 . 1 175 175 ARG N N 15 117.633 0.3 . 1 . . . . . 232 ARG N . 27761 1 721 . 1 . 1 176 176 ASN H H 1 7.927 0.020 . 1 . . . . . 233 ASN H . 27761 1 722 . 1 . 1 176 176 ASN C C 13 178.971 0.3 . 1 . . . . . 233 ASN C . 27761 1 723 . 1 . 1 176 176 ASN CA C 13 56.100 0.3 . 1 . . . . . 233 ASN CA . 27761 1 724 . 1 . 1 176 176 ASN CB C 13 38.081 0.3 . 1 . . . . . 233 ASN CB . 27761 1 725 . 1 . 1 176 176 ASN N N 15 115.892 0.3 . 1 . . . . . 233 ASN N . 27761 1 726 . 1 . 1 177 177 LEU H H 1 8.207 0.020 . 1 . . . . . 234 LEU H . 27761 1 727 . 1 . 1 177 177 LEU C C 13 177.300 0.3 . 1 . . . . . 234 LEU C . 27761 1 728 . 1 . 1 177 177 LEU CA C 13 57.774 0.3 . 1 . . . . . 234 LEU CA . 27761 1 729 . 1 . 1 177 177 LEU CB C 13 40.118 0.3 . 1 . . . . . 234 LEU CB . 27761 1 730 . 1 . 1 177 177 LEU N N 15 118.424 0.3 . 1 . . . . . 234 LEU N . 27761 1 731 . 1 . 1 178 178 TYR H H 1 8.255 0.020 . 1 . . . . . 235 TYR H . 27761 1 732 . 1 . 1 178 178 TYR C C 13 176.913 0.3 . 1 . . . . . 235 TYR C . 27761 1 733 . 1 . 1 178 178 TYR CA C 13 61.076 0.3 . 1 . . . . . 235 TYR CA . 27761 1 734 . 1 . 1 178 178 TYR CB C 13 38.431 0.3 . 1 . . . . . 235 TYR CB . 27761 1 735 . 1 . 1 178 178 TYR N N 15 117.856 0.3 . 1 . . . . . 235 TYR N . 27761 1 736 . 1 . 1 179 179 ASP H H 1 8.846 0.020 . 1 . . . . . 236 ASP H . 27761 1 737 . 1 . 1 179 179 ASP C C 13 178.670 0.3 . 1 . . . . . 236 ASP C . 27761 1 738 . 1 . 1 179 179 ASP CA C 13 56.992 0.3 . 1 . . . . . 236 ASP CA . 27761 1 739 . 1 . 1 179 179 ASP CB C 13 39.874 0.3 . 1 . . . . . 236 ASP CB . 27761 1 740 . 1 . 1 179 179 ASP N N 15 116.528 0.3 . 1 . . . . . 236 ASP N . 27761 1 741 . 1 . 1 180 180 SER H H 1 7.700 0.020 . 1 . . . . . 237 SER H . 27761 1 742 . 1 . 1 180 180 SER C C 13 176.821 0.3 . 1 . . . . . 237 SER C . 27761 1 743 . 1 . 1 180 180 SER CA C 13 61.265 0.3 . 1 . . . . . 237 SER CA . 27761 1 744 . 1 . 1 180 180 SER CB C 13 63.167 0.3 . 1 . . . . . 237 SER CB . 27761 1 745 . 1 . 1 180 180 SER N N 15 111.944 0.3 . 1 . . . . . 237 SER N . 27761 1 746 . 1 . 1 181 181 ILE H H 1 7.359 0.020 . 1 . . . . . 238 ILE H . 27761 1 747 . 1 . 1 181 181 ILE C C 13 177.675 0.3 . 1 . . . . . 238 ILE C . 27761 1 748 . 1 . 1 181 181 ILE CA C 13 59.436 0.3 . 1 . . . . . 238 ILE CA . 27761 1 749 . 1 . 1 181 181 ILE CB C 13 35.603 0.3 . 1 . . . . . 238 ILE CB . 27761 1 750 . 1 . 1 181 181 ILE N N 15 118.206 0.3 . 1 . . . . . 238 ILE N . 27761 1 751 . 1 . 1 182 182 ARG H H 1 8.494 0.020 . 1 . . . . . 239 ARG H . 27761 1 752 . 1 . 1 182 182 ARG C C 13 177.379 0.3 . 1 . . . . . 239 ARG C . 27761 1 753 . 1 . 1 182 182 ARG CA C 13 59.068 0.3 . 1 . . . . . 239 ARG CA . 27761 1 754 . 1 . 1 182 182 ARG CB C 13 28.432 0.3 . 1 . . . . . 239 ARG CB . 27761 1 755 . 1 . 1 182 182 ARG N N 15 120.198 0.3 . 1 . . . . . 239 ARG N . 27761 1 756 . 1 . 1 183 183 ASN H H 1 7.675 0.020 . 1 . . . . . 240 ASN H . 27761 1 757 . 1 . 1 183 183 ASN C C 13 175.402 0.3 . 1 . . . . . 240 ASN C . 27761 1 758 . 1 . 1 183 183 ASN CA C 13 54.291 0.3 . 1 . . . . . 240 ASN CA . 27761 1 759 . 1 . 1 183 183 ASN CB C 13 38.988 0.3 . 1 . . . . . 240 ASN CB . 27761 1 760 . 1 . 1 183 183 ASN N N 15 111.525 0.3 . 1 . . . . . 240 ASN N . 27761 1 761 . 1 . 1 184 184 GLU H H 1 7.448 0.020 . 1 . . . . . 241 GLU H . 27761 1 762 . 1 . 1 184 184 GLU C C 13 171.542 0.3 . 1 . . . . . 241 GLU C . 27761 1 763 . 1 . 1 184 184 GLU CA C 13 53.060 0.3 . 1 . . . . . 241 GLU CA . 27761 1 764 . 1 . 1 184 184 GLU CB C 13 30.405 0.3 . 1 . . . . . 241 GLU CB . 27761 1 765 . 1 . 1 184 184 GLU N N 15 118.843 0.3 . 1 . . . . . 241 GLU N . 27761 1 766 . 1 . 1 185 185 PRO C C 13 178.251 0.3 . 1 . . . . . 242 PRO C . 27761 1 767 . 1 . 1 185 185 PRO CA C 13 61.490 0.3 . 1 . . . . . 242 PRO CA . 27761 1 768 . 1 . 1 185 185 PRO CB C 13 31.222 0.3 . 1 . . . . . 242 PRO CB . 27761 1 769 . 1 . 1 186 186 PHE H H 1 8.098 0.020 . 1 . . . . . 243 PHE H . 27761 1 770 . 1 . 1 186 186 PHE C C 13 176.956 0.3 . 1 . . . . . 243 PHE C . 27761 1 771 . 1 . 1 186 186 PHE CA C 13 57.392 0.3 . 1 . . . . . 243 PHE CA . 27761 1 772 . 1 . 1 186 186 PHE CB C 13 37.563 0.3 . 1 . . . . . 243 PHE CB . 27761 1 773 . 1 . 1 186 186 PHE N N 15 117.559 0.3 . 1 . . . . . 243 PHE N . 27761 1 774 . 1 . 1 187 187 LYS H H 1 8.700 0.020 . 1 . . . . . 244 LYS H . 27761 1 775 . 1 . 1 187 187 LYS C C 13 175.276 0.3 . 1 . . . . . 244 LYS C . 27761 1 776 . 1 . 1 187 187 LYS CA C 13 55.667 0.3 . 1 . . . . . 244 LYS CA . 27761 1 777 . 1 . 1 187 187 LYS CB C 13 31.753 0.3 . 1 . . . . . 244 LYS CB . 27761 1 778 . 1 . 1 187 187 LYS N N 15 124.154 0.3 . 1 . . . . . 244 LYS N . 27761 1 779 . 1 . 1 188 188 ILE H H 1 8.318 0.020 . 1 . . . . . 245 ILE H . 27761 1 780 . 1 . 1 188 188 ILE C C 13 174.216 0.3 . 1 . . . . . 245 ILE C . 27761 1 781 . 1 . 1 188 188 ILE CA C 13 56.681 0.3 . 1 . . . . . 245 ILE CA . 27761 1 782 . 1 . 1 188 188 ILE CB C 13 37.969 0.3 . 1 . . . . . 245 ILE CB . 27761 1 783 . 1 . 1 188 188 ILE N N 15 125.056 0.3 . 1 . . . . . 245 ILE N . 27761 1 stop_ save_