data_27026 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27026 _Entry.Title ; Ascl1 fragment D ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-02-06 _Entry.Accession_date 2017-02-06 _Entry.Last_release_date 2017-02-06 _Entry.Original_release_date 2017-02-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Fragment D of Ascl1 protein' _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 Lorenzo Baronti . . . . 27026 2 Tomas Hosek . . . . 27026 3 Sergio Gil-Caballero . . . . 27026 4 Hadas Raveh-Amit . . . . 27026 5 Eduardo Calcada . O. . . 27026 6 Isabel Ayala . . . . 27026 7 Andras Dinnyes . . . . 27026 8 Isabella Felli . C. . . 27026 9 Roberta Pierattelli . . . . 27026 10 Bernhard Brutscher . . . . 27026 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' . 27026 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'BioTalentum Ltd.' . 27026 2 . 'Magnetic Resonance Center - University of Florence Italy' . 27026 3 . 'Biotalentum Ltd. - Godollo - Hungary' . 27026 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27026 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 237 27026 '15N chemical shifts' 83 27026 '1H chemical shifts' 83 27026 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 . . 2017-04-21 . original BMRB . 27026 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27023 'Ascl1 fragment A' 27026 BMRB 27024 'Ascl1 fragment B' 27026 BMRB 27025 'Ascl1 fragment C' 27026 stop_ save_ ############### # Citations # ############### save_Baronti_et_al. _Citation.Sf_category citations _Citation.Sf_framecode Baronti_et_al. _Citation.Entry_ID 27026 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.bpj.2017.02.025 _Citation.PubMed_ID 28402879 _Citation.Full_citation . _Citation.Title ; Fragment-Based NMR Study of the Conformational Dynamics in the bHLH Transcription Factor Ascl1' ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 112 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1542-0086 _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 1366 _Citation.Page_last 1373 _Citation.Year 2017 _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 Lorenzo Baronti . . . . 27026 1 2 Tomas Hosek . . . . 27026 1 3 Sergio Gil-Caballero . . . . 27026 1 4 Hadas Raveh-Amit . . . . 27026 1 5 Eduardo Calcada . O. . . 27026 1 6 Isabel Ayala . . . . 27026 1 7 Andras Dinnyes . . . . 27026 1 8 Isabella Felli . C. . . 27026 1 9 Roberta Pierattelli . . . . 27026 1 10 Bernhard Brutscher . . . . 27026 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Ascl1 27026 1 HASH1 27026 1 IDP 27026 1 'Intrinsically disordered protein' 27026 1 bHLH 27026 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27026 _Assembly.ID 1 _Assembly.Name 'Ascl1 trascription factor' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; Ascl1 human bHLH transcription factor. Ascl1 was studied by generating different overlapping fragments (A,B,C and D) that represent different functional motifs on the Ascl1 polypeptide chain. Fragment D is composed of a 44 aa tag at the N-terminus followed by residues 118-236 of the full length sequence. ; _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 'Ascl1 trascription factor, Fragment D' 1 $Ascl1_fragment_D A . yes 'partially disordered' no no . . . 27026 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ascl1_fragment_D _Entity.Sf_category entity _Entity.Sf_framecode Ascl1_fragment_D _Entity.Entry_ID 27026 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ascl1_fragment_D _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 ; MSYYHHHHHHLESTSLYKKA GLYKKAGSAAAVLEENLYFQ GSFTAAVARRNERERNRVKL VNLGFATLREHVPNGAANKK MSKVETLRSAVEYIRALQQL LDEHDAVSAAFQAGVLSPTI SPNYSNDLNSMAGSPVSSYS SDEGSYDPLSPEEQELLDFT NWF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-44 represent the artificial affinity and solubility tag. Ascl1 fragment D chemical shift assignment start from residue 45 (residue 1 in the assignment file). ; _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 163 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment ; Basic Helix-Loop-Helix (bHLH) DNA binding domain and disordered C-terminal domain of Ascl1. Fragment 118-236 of the full length sequence. ; _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 ; Basic Helix-Loop-Helix (bHLH) DNA binding domain and disordered C-terminal domain of Ascl1. Fragment 118-236 of the full length sequence. ; 27026 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 -43 MET . 27026 1 2 -42 SER . 27026 1 3 -41 TYR . 27026 1 4 -40 TYR . 27026 1 5 -39 HIS . 27026 1 6 -38 HIS . 27026 1 7 -37 HIS . 27026 1 8 -36 HIS . 27026 1 9 -35 HIS . 27026 1 10 -34 HIS . 27026 1 11 -33 LEU . 27026 1 12 -32 GLU . 27026 1 13 -31 SER . 27026 1 14 -30 THR . 27026 1 15 -29 SER . 27026 1 16 -28 LEU . 27026 1 17 -27 TYR . 27026 1 18 -26 LYS . 27026 1 19 -25 LYS . 27026 1 20 -24 ALA . 27026 1 21 -23 GLY . 27026 1 22 -22 LEU . 27026 1 23 -21 TYR . 27026 1 24 -20 LYS . 27026 1 25 -19 LYS . 27026 1 26 -18 ALA . 27026 1 27 -17 GLY . 27026 1 28 -16 SER . 27026 1 29 -15 ALA . 27026 1 30 -14 ALA . 27026 1 31 -13 ALA . 27026 1 32 -12 VAL . 27026 1 33 -11 LEU . 27026 1 34 -10 GLU . 27026 1 35 -9 GLU . 27026 1 36 -8 ASN . 27026 1 37 -7 LEU . 27026 1 38 -6 TYR . 27026 1 39 -5 PHE . 27026 1 40 -4 GLN . 27026 1 41 -3 GLY . 27026 1 42 -2 SER . 27026 1 43 -1 PHE . 27026 1 44 0 THR . 27026 1 45 118 ALA . 27026 1 46 119 ALA . 27026 1 47 120 VAL . 27026 1 48 121 ALA . 27026 1 49 122 ARG . 27026 1 50 123 ARG . 27026 1 51 124 ASN . 27026 1 52 125 GLU . 27026 1 53 126 ARG . 27026 1 54 127 GLU . 27026 1 55 128 ARG . 27026 1 56 129 ASN . 27026 1 57 130 ARG . 27026 1 58 131 VAL . 27026 1 59 132 LYS . 27026 1 60 133 LEU . 27026 1 61 134 VAL . 27026 1 62 135 ASN . 27026 1 63 136 LEU . 27026 1 64 137 GLY . 27026 1 65 138 PHE . 27026 1 66 139 ALA . 27026 1 67 140 THR . 27026 1 68 141 LEU . 27026 1 69 142 ARG . 27026 1 70 143 GLU . 27026 1 71 144 HIS . 27026 1 72 145 VAL . 27026 1 73 146 PRO . 27026 1 74 147 ASN . 27026 1 75 148 GLY . 27026 1 76 149 ALA . 27026 1 77 150 ALA . 27026 1 78 151 ASN . 27026 1 79 152 LYS . 27026 1 80 153 LYS . 27026 1 81 154 MET . 27026 1 82 155 SER . 27026 1 83 156 LYS . 27026 1 84 157 VAL . 27026 1 85 158 GLU . 27026 1 86 159 THR . 27026 1 87 160 LEU . 27026 1 88 161 ARG . 27026 1 89 162 SER . 27026 1 90 163 ALA . 27026 1 91 164 VAL . 27026 1 92 165 GLU . 27026 1 93 166 TYR . 27026 1 94 167 ILE . 27026 1 95 168 ARG . 27026 1 96 169 ALA . 27026 1 97 170 LEU . 27026 1 98 171 GLN . 27026 1 99 172 GLN . 27026 1 100 173 LEU . 27026 1 101 174 LEU . 27026 1 102 175 ASP . 27026 1 103 176 GLU . 27026 1 104 177 HIS . 27026 1 105 178 ASP . 27026 1 106 179 ALA . 27026 1 107 180 VAL . 27026 1 108 181 SER . 27026 1 109 182 ALA . 27026 1 110 183 ALA . 27026 1 111 184 PHE . 27026 1 112 185 GLN . 27026 1 113 186 ALA . 27026 1 114 187 GLY . 27026 1 115 188 VAL . 27026 1 116 189 LEU . 27026 1 117 190 SER . 27026 1 118 191 PRO . 27026 1 119 192 THR . 27026 1 120 193 ILE . 27026 1 121 194 SER . 27026 1 122 195 PRO . 27026 1 123 196 ASN . 27026 1 124 197 TYR . 27026 1 125 198 SER . 27026 1 126 199 ASN . 27026 1 127 200 ASP . 27026 1 128 201 LEU . 27026 1 129 202 ASN . 27026 1 130 203 SER . 27026 1 131 204 MET . 27026 1 132 205 ALA . 27026 1 133 206 GLY . 27026 1 134 207 SER . 27026 1 135 208 PRO . 27026 1 136 209 VAL . 27026 1 137 210 SER . 27026 1 138 211 SER . 27026 1 139 212 TYR . 27026 1 140 213 SER . 27026 1 141 214 SER . 27026 1 142 215 ASP . 27026 1 143 216 GLU . 27026 1 144 217 GLY . 27026 1 145 218 SER . 27026 1 146 219 TYR . 27026 1 147 220 ASP . 27026 1 148 221 PRO . 27026 1 149 222 LEU . 27026 1 150 223 SER . 27026 1 151 224 PRO . 27026 1 152 225 GLU . 27026 1 153 226 GLU . 27026 1 154 227 GLN . 27026 1 155 228 GLU . 27026 1 156 229 LEU . 27026 1 157 230 LEU . 27026 1 158 231 ASP . 27026 1 159 232 PHE . 27026 1 160 233 THR . 27026 1 161 234 ASN . 27026 1 162 235 TRP . 27026 1 163 236 PHE . 27026 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 27026 1 . SER 2 2 27026 1 . TYR 3 3 27026 1 . TYR 4 4 27026 1 . HIS 5 5 27026 1 . HIS 6 6 27026 1 . HIS 7 7 27026 1 . HIS 8 8 27026 1 . HIS 9 9 27026 1 . HIS 10 10 27026 1 . LEU 11 11 27026 1 . GLU 12 12 27026 1 . SER 13 13 27026 1 . THR 14 14 27026 1 . SER 15 15 27026 1 . LEU 16 16 27026 1 . TYR 17 17 27026 1 . LYS 18 18 27026 1 . LYS 19 19 27026 1 . ALA 20 20 27026 1 . GLY 21 21 27026 1 . LEU 22 22 27026 1 . TYR 23 23 27026 1 . LYS 24 24 27026 1 . LYS 25 25 27026 1 . ALA 26 26 27026 1 . GLY 27 27 27026 1 . SER 28 28 27026 1 . ALA 29 29 27026 1 . ALA 30 30 27026 1 . ALA 31 31 27026 1 . VAL 32 32 27026 1 . LEU 33 33 27026 1 . GLU 34 34 27026 1 . GLU 35 35 27026 1 . ASN 36 36 27026 1 . LEU 37 37 27026 1 . TYR 38 38 27026 1 . PHE 39 39 27026 1 . GLN 40 40 27026 1 . GLY 41 41 27026 1 . SER 42 42 27026 1 . PHE 43 43 27026 1 . THR 44 44 27026 1 . ALA 45 45 27026 1 . ALA 46 46 27026 1 . VAL 47 47 27026 1 . ALA 48 48 27026 1 . ARG 49 49 27026 1 . ARG 50 50 27026 1 . ASN 51 51 27026 1 . GLU 52 52 27026 1 . ARG 53 53 27026 1 . GLU 54 54 27026 1 . ARG 55 55 27026 1 . ASN 56 56 27026 1 . ARG 57 57 27026 1 . VAL 58 58 27026 1 . LYS 59 59 27026 1 . LEU 60 60 27026 1 . VAL 61 61 27026 1 . ASN 62 62 27026 1 . LEU 63 63 27026 1 . GLY 64 64 27026 1 . PHE 65 65 27026 1 . ALA 66 66 27026 1 . THR 67 67 27026 1 . LEU 68 68 27026 1 . ARG 69 69 27026 1 . GLU 70 70 27026 1 . HIS 71 71 27026 1 . VAL 72 72 27026 1 . PRO 73 73 27026 1 . ASN 74 74 27026 1 . GLY 75 75 27026 1 . ALA 76 76 27026 1 . ALA 77 77 27026 1 . ASN 78 78 27026 1 . LYS 79 79 27026 1 . LYS 80 80 27026 1 . MET 81 81 27026 1 . SER 82 82 27026 1 . LYS 83 83 27026 1 . VAL 84 84 27026 1 . GLU 85 85 27026 1 . THR 86 86 27026 1 . LEU 87 87 27026 1 . ARG 88 88 27026 1 . SER 89 89 27026 1 . ALA 90 90 27026 1 . VAL 91 91 27026 1 . GLU 92 92 27026 1 . TYR 93 93 27026 1 . ILE 94 94 27026 1 . ARG 95 95 27026 1 . ALA 96 96 27026 1 . LEU 97 97 27026 1 . GLN 98 98 27026 1 . GLN 99 99 27026 1 . LEU 100 100 27026 1 . LEU 101 101 27026 1 . ASP 102 102 27026 1 . GLU 103 103 27026 1 . HIS 104 104 27026 1 . ASP 105 105 27026 1 . ALA 106 106 27026 1 . VAL 107 107 27026 1 . SER 108 108 27026 1 . ALA 109 109 27026 1 . ALA 110 110 27026 1 . PHE 111 111 27026 1 . GLN 112 112 27026 1 . ALA 113 113 27026 1 . GLY 114 114 27026 1 . VAL 115 115 27026 1 . LEU 116 116 27026 1 . SER 117 117 27026 1 . PRO 118 118 27026 1 . THR 119 119 27026 1 . ILE 120 120 27026 1 . SER 121 121 27026 1 . PRO 122 122 27026 1 . ASN 123 123 27026 1 . TYR 124 124 27026 1 . SER 125 125 27026 1 . ASN 126 126 27026 1 . ASP 127 127 27026 1 . LEU 128 128 27026 1 . ASN 129 129 27026 1 . SER 130 130 27026 1 . MET 131 131 27026 1 . ALA 132 132 27026 1 . GLY 133 133 27026 1 . SER 134 134 27026 1 . PRO 135 135 27026 1 . VAL 136 136 27026 1 . SER 137 137 27026 1 . SER 138 138 27026 1 . TYR 139 139 27026 1 . SER 140 140 27026 1 . SER 141 141 27026 1 . ASP 142 142 27026 1 . GLU 143 143 27026 1 . GLY 144 144 27026 1 . SER 145 145 27026 1 . TYR 146 146 27026 1 . ASP 147 147 27026 1 . PRO 148 148 27026 1 . LEU 149 149 27026 1 . SER 150 150 27026 1 . PRO 151 151 27026 1 . GLU 152 152 27026 1 . GLU 153 153 27026 1 . GLN 154 154 27026 1 . GLU 155 155 27026 1 . LEU 156 156 27026 1 . LEU 157 157 27026 1 . ASP 158 158 27026 1 . PHE 159 159 27026 1 . THR 160 160 27026 1 . ASN 161 161 27026 1 . TRP 162 162 27026 1 . PHE 163 163 27026 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 27026 _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 $Ascl1_fragment_D . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27026 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 27026 _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 $Ascl1_fragment_D . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21a . . . 27026 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27026 _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 'Ascl1 fragment D' '[U-100% 13C; U-100% 15N]' . . 1 $Ascl1_fragment_D . . 250 100 400 uM . . . . 27026 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 27026 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 27026 1 4 SDS 'natural abundance' . . . . . . 2 . . mM . . . . 27026 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 27026 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 27026 1 pressure 1 . atm 27026 1 temperature 298 . K 27026 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 27026 _Software.ID 1 _Software.Name CCPNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27026 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27026 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 27026 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with cryogenically cooled triple-resonance probeheads (TCI)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27026 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Equipped with cryogenically cooled triple-resonance probeheads (TCI)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27026 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'Equipped with cryogenically cooled triple-resonance probeheads (TCI)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 27026 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'Equipped with cryogenically cooled triple-resonance probeheads (TCI)' _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 27026 _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 . 950 'Equipped with cryogenically cooled triple-resonance probeheads (TCI)' . . 27026 1 2 spectrometer_2 Bruker Avance . 850 'Equipped with cryogenically cooled triple-resonance probeheads (TCI)' . . 27026 1 3 spectrometer_3 Bruker Avance . 700 'Equipped with cryogenically cooled triple-resonance probeheads (TCI)' . . 27026 1 4 spectrometer_4 Bruker Avance . 600 'Equipped with cryogenically cooled triple-resonance probeheads (TCI)' . . 27026 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 27026 _Experiment_list.ID 1 _Experiment_list.Details ; A set of 3D BEST-TROSY HCN and HNN spectra were recorded for sequential resonance assignment, complemented by a sequential HADAMAC experiment for amino-acid type identification. ; 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 '3D BEST-TROSY HCNs' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27026 1 2 '3D BEST-TROSY HNNs' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27026 1 3 HADAMAC no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27026 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 27026 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27026 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27026 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27026 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 27026 _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 ; The reported chemical shift assignment is numbered according to "Baronti_et_al.". All assigned chemical shifts of Ascl1 fragments deposited start from the first biologically relevant aminoacid and do not take into account the artificial tag at the N-terminus (see "Baronti_et_al."). ; _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 '3D BEST-TROSY HCNs' . . . 27026 1 2 '3D BEST-TROSY HNNs' . . . 27026 1 3 HADAMAC . . . 27026 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CCPNMR . . 27026 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 45 45 ALA H H 1 7.74 . . 1 . . . . 118 ALA H . 27026 1 2 . 1 1 45 45 ALA C C 13 179.42 . . 1 . . . . 118 ALA C . 27026 1 3 . 1 1 45 45 ALA CA C 13 54.50 . . 1 . . . . 118 ALA CA . 27026 1 4 . 1 1 45 45 ALA CB C 13 18.27 . . 1 . . . . 118 ALA CB . 27026 1 5 . 1 1 45 45 ALA N N 15 124.31 . . 1 . . . . 118 ALA N . 27026 1 6 . 1 1 46 46 ALA H H 1 7.72 . . 1 . . . . 119 ALA H . 27026 1 7 . 1 1 46 46 ALA C C 13 179.46 . . 1 . . . . 119 ALA C . 27026 1 8 . 1 1 46 46 ALA CA C 13 54.80 . . 1 . . . . 119 ALA CA . 27026 1 9 . 1 1 46 46 ALA CB C 13 18.38 . . 1 . . . . 119 ALA CB . 27026 1 10 . 1 1 46 46 ALA N N 15 122.11 . . 1 . . . . 119 ALA N . 27026 1 11 . 1 1 47 47 VAL H H 1 7.77 . . 1 . . . . 120 VAL H . 27026 1 12 . 1 1 47 47 VAL C C 13 177.79 . . 1 . . . . 120 VAL C . 27026 1 13 . 1 1 47 47 VAL CA C 13 65.70 . . 1 . . . . 120 VAL CA . 27026 1 14 . 1 1 47 47 VAL N N 15 117.63 . . 1 . . . . 120 VAL N . 27026 1 15 . 1 1 48 48 ALA H H 1 7.63 . . 1 . . . . 121 ALA H . 27026 1 16 . 1 1 48 48 ALA C C 13 179.60 . . 1 . . . . 121 ALA C . 27026 1 17 . 1 1 48 48 ALA CA C 13 54.40 . . 1 . . . . 121 ALA CA . 27026 1 18 . 1 1 48 48 ALA CB C 13 18.24 . . 1 . . . . 121 ALA CB . 27026 1 19 . 1 1 48 48 ALA N N 15 122.45 . . 1 . . . . 121 ALA N . 27026 1 20 . 1 1 49 49 ARG H H 1 7.68 . . 1 . . . . 122 ARG H . 27026 1 21 . 1 1 49 49 ARG C C 13 178.19 . . 1 . . . . 122 ARG C . 27026 1 22 . 1 1 49 49 ARG CA C 13 57.81 . . 1 . . . . 122 ARG CA . 27026 1 23 . 1 1 49 49 ARG CB C 13 30.33 . . 1 . . . . 122 ARG CB . 27026 1 24 . 1 1 49 49 ARG N N 15 117.88 . . 1 . . . . 122 ARG N . 27026 1 25 . 1 1 50 50 ARG H H 1 7.80 . . 1 . . . . 123 ARG H . 27026 1 26 . 1 1 50 50 ARG C C 13 177.49 . . 1 . . . . 123 ARG C . 27026 1 27 . 1 1 50 50 ARG CA C 13 58.20 . . 1 . . . . 123 ARG CA . 27026 1 28 . 1 1 50 50 ARG CB C 13 29.66 . . 1 . . . . 123 ARG CB . 27026 1 29 . 1 1 50 50 ARG N N 15 120.35 . . 1 . . . . 123 ARG N . 27026 1 30 . 1 1 51 51 ASN H H 1 8.05 . . 1 . . . . 124 ASN H . 27026 1 31 . 1 1 51 51 ASN C C 13 175.99 . . 1 . . . . 124 ASN C . 27026 1 32 . 1 1 51 51 ASN CA C 13 54.54 . . 1 . . . . 124 ASN CA . 27026 1 33 . 1 1 51 51 ASN CB C 13 38.72 . . 1 . . . . 124 ASN CB . 27026 1 34 . 1 1 51 51 ASN N N 15 117.46 . . 1 . . . . 124 ASN N . 27026 1 35 . 1 1 52 52 GLU H H 1 7.81 . . 1 . . . . 125 GLU H . 27026 1 36 . 1 1 52 52 GLU C C 13 176.36 . . 1 . . . . 125 GLU C . 27026 1 37 . 1 1 52 52 GLU CB C 13 29.89 . . 1 . . . . 125 GLU CB . 27026 1 38 . 1 1 52 52 GLU N N 15 119.31 . . 1 . . . . 125 GLU N . 27026 1 39 . 1 1 53 53 ARG H H 1 7.54 . . 1 . . . . 126 ARG H . 27026 1 40 . 1 1 53 53 ARG C C 13 175.87 . . 1 . . . . 126 ARG C . 27026 1 41 . 1 1 53 53 ARG CB C 13 30.93 . . 1 . . . . 126 ARG CB . 27026 1 42 . 1 1 53 53 ARG N N 15 120.46 . . 1 . . . . 126 ARG N . 27026 1 43 . 1 1 54 54 GLU H H 1 8.32 . . 1 . . . . 127 GLU H . 27026 1 44 . 1 1 54 54 GLU C C 13 176.15 . . 1 . . . . 127 GLU C . 27026 1 45 . 1 1 54 54 GLU CA C 13 56.50 . . 1 . . . . 127 GLU CA . 27026 1 46 . 1 1 54 54 GLU CB C 13 29.98 . . 1 . . . . 127 GLU CB . 27026 1 47 . 1 1 54 54 GLU N N 15 122.57 . . 1 . . . . 127 GLU N . 27026 1 48 . 1 1 55 55 ARG H H 1 8.17 . . 1 . . . . 128 ARG H . 27026 1 49 . 1 1 55 55 ARG C C 13 175.86 . . 1 . . . . 128 ARG C . 27026 1 50 . 1 1 55 55 ARG CA C 13 55.90 . . 1 . . . . 128 ARG CA . 27026 1 51 . 1 1 55 55 ARG CB C 13 30.43 . . 1 . . . . 128 ARG CB . 27026 1 52 . 1 1 55 55 ARG N N 15 122.22 . . 1 . . . . 128 ARG N . 27026 1 53 . 1 1 56 56 ASN H H 1 8.28 . . 1 . . . . 129 ASN H . 27026 1 54 . 1 1 56 56 ASN C C 13 174.98 . . 1 . . . . 129 ASN C . 27026 1 55 . 1 1 56 56 ASN CB C 13 39.09 . . 1 . . . . 129 ASN CB . 27026 1 56 . 1 1 56 56 ASN N N 15 120.53 . . 1 . . . . 129 ASN N . 27026 1 57 . 1 1 57 57 ARG H H 1 8.05 . . 1 . . . . 130 ARG H . 27026 1 58 . 1 1 57 57 ARG C C 13 176.42 . . 1 . . . . 130 ARG C . 27026 1 59 . 1 1 57 57 ARG CA C 13 56.80 . . 1 . . . . 130 ARG CA . 27026 1 60 . 1 1 57 57 ARG N N 15 121.09 . . 1 . . . . 130 ARG N . 27026 1 61 . 1 1 58 58 VAL H H 1 7.80 . . 1 . . . . 131 VAL H . 27026 1 62 . 1 1 58 58 VAL C C 13 175.74 . . 1 . . . . 131 VAL C . 27026 1 63 . 1 1 58 58 VAL CB C 13 32.36 . . 1 . . . . 131 VAL CB . 27026 1 64 . 1 1 58 58 VAL N N 15 120.36 . . 1 . . . . 131 VAL N . 27026 1 65 . 1 1 59 59 LYS H H 1 7.85 . . 1 . . . . 132 LYS H . 27026 1 66 . 1 1 59 59 LYS C C 13 176.81 . . 1 . . . . 132 LYS C . 27026 1 67 . 1 1 59 59 LYS CB C 13 32.46 . . 1 . . . . 132 LYS CB . 27026 1 68 . 1 1 59 59 LYS N N 15 122.52 . . 1 . . . . 132 LYS N . 27026 1 69 . 1 1 60 60 LEU H H 1 8.08 . . 1 . . . . 133 LEU H . 27026 1 70 . 1 1 60 60 LEU C C 13 176.53 . . 1 . . . . 133 LEU C . 27026 1 71 . 1 1 60 60 LEU N N 15 119.77 . . 1 . . . . 133 LEU N . 27026 1 72 . 1 1 64 64 GLY H H 1 8.07 . . 1 . . . . 137 GLY H . 27026 1 73 . 1 1 64 64 GLY N N 15 108.08 . . 1 . . . . 137 GLY N . 27026 1 74 . 1 1 65 65 PHE H H 1 8.19 . . 1 . . . . 138 PHE H . 27026 1 75 . 1 1 65 65 PHE C C 13 176.83 . . 1 . . . . 138 PHE C . 27026 1 76 . 1 1 65 65 PHE CB C 13 38.83 . . 1 . . . . 138 PHE CB . 27026 1 77 . 1 1 65 65 PHE N N 15 120.86 . . 1 . . . . 138 PHE N . 27026 1 78 . 1 1 66 66 ALA H H 1 8.24 . . 1 . . . . 139 ALA H . 27026 1 79 . 1 1 66 66 ALA C C 13 179.81 . . 1 . . . . 139 ALA C . 27026 1 80 . 1 1 66 66 ALA CA C 13 55.10 . . 1 . . . . 139 ALA CA . 27026 1 81 . 1 1 66 66 ALA CB C 13 18.32 . . 1 . . . . 139 ALA CB . 27026 1 82 . 1 1 66 66 ALA N N 15 121.26 . . 1 . . . . 139 ALA N . 27026 1 83 . 1 1 67 67 THR H H 1 7.76 . . 1 . . . . 140 THR H . 27026 1 84 . 1 1 67 67 THR C C 13 176.59 . . 1 . . . . 140 THR C . 27026 1 85 . 1 1 67 67 THR CA C 13 65.00 . . 1 . . . . 140 THR CA . 27026 1 86 . 1 1 67 67 THR CB C 13 68.75 . . 1 . . . . 140 THR CB . 27026 1 87 . 1 1 67 67 THR N N 15 113.21 . . 1 . . . . 140 THR N . 27026 1 88 . 1 1 68 68 LEU H H 1 7.83 . . 1 . . . . 141 LEU H . 27026 1 89 . 1 1 68 68 LEU C C 13 178.53 . . 1 . . . . 141 LEU C . 27026 1 90 . 1 1 68 68 LEU CB C 13 41.66 . . 1 . . . . 141 LEU CB . 27026 1 91 . 1 1 68 68 LEU N N 15 123.06 . . 1 . . . . 141 LEU N . 27026 1 92 . 1 1 69 69 ARG H H 1 8.04 . . 1 . . . . 142 ARG H . 27026 1 93 . 1 1 69 69 ARG C C 13 177.74 . . 1 . . . . 142 ARG C . 27026 1 94 . 1 1 69 69 ARG CA C 13 58.80 . . 1 . . . . 142 ARG CA . 27026 1 95 . 1 1 69 69 ARG CB C 13 29.94 . . 1 . . . . 142 ARG CB . 27026 1 96 . 1 1 69 69 ARG N N 15 116.92 . . 1 . . . . 142 ARG N . 27026 1 97 . 1 1 70 70 GLU H H 1 7.52 . . 1 . . . . 143 GLU H . 27026 1 98 . 1 1 70 70 GLU C C 13 176.89 . . 1 . . . . 143 GLU C . 27026 1 99 . 1 1 70 70 GLU CA C 13 57.40 . . 1 . . . . 143 GLU CA . 27026 1 100 . 1 1 70 70 GLU CB C 13 29.39 . . 1 . . . . 143 GLU CB . 27026 1 101 . 1 1 70 70 GLU N N 15 116.82 . . 1 . . . . 143 GLU N . 27026 1 102 . 1 1 71 71 HIS H H 1 7.76 . . 1 . . . . 144 HIS H . 27026 1 103 . 1 1 71 71 HIS C C 13 173.50 . . 1 . . . . 144 HIS C . 27026 1 104 . 1 1 71 71 HIS CA C 13 55.90 . . 1 . . . . 144 HIS CA . 27026 1 105 . 1 1 71 71 HIS N N 15 115.82 . . 1 . . . . 144 HIS N . 27026 1 106 . 1 1 72 72 VAL H H 1 7.44 . . 1 . . . . 145 VAL H . 27026 1 107 . 1 1 72 72 VAL C C 13 174.16 . . 1 . . . . 145 VAL C . 27026 1 108 . 1 1 72 72 VAL CA C 13 60.80 . . 1 . . . . 145 VAL CA . 27026 1 109 . 1 1 72 72 VAL N N 15 120.81 . . 1 . . . . 145 VAL N . 27026 1 110 . 1 1 73 73 PRO C C 13 176.53 . . 1 . . . . 146 PRO C . 27026 1 111 . 1 1 73 73 PRO CA C 13 63.50 . . 1 . . . . 146 PRO CA . 27026 1 112 . 1 1 73 73 PRO CB C 13 31.94 . . 1 . . . . 146 PRO CB . 27026 1 113 . 1 1 74 74 ASN H H 1 8.31 . . 1 . . . . 147 ASN H . 27026 1 114 . 1 1 74 74 ASN C C 13 176.26 . . 1 . . . . 147 ASN C . 27026 1 115 . 1 1 74 74 ASN CA C 13 53.90 . . 1 . . . . 147 ASN CA . 27026 1 116 . 1 1 74 74 ASN CB C 13 38.97 . . 1 . . . . 147 ASN CB . 27026 1 117 . 1 1 74 74 ASN N N 15 118.92 . . 1 . . . . 147 ASN N . 27026 1 118 . 1 1 75 75 GLY H H 1 8.23 . . 1 . . . . 148 GLY H . 27026 1 119 . 1 1 75 75 GLY C C 13 174.46 . . 1 . . . . 148 GLY C . 27026 1 120 . 1 1 75 75 GLY CA C 13 45.90 . . 1 . . . . 148 GLY CA . 27026 1 121 . 1 1 75 75 GLY N N 15 109.88 . . 1 . . . . 148 GLY N . 27026 1 122 . 1 1 76 76 ALA H H 1 7.91 . . 1 . . . . 149 ALA H . 27026 1 123 . 1 1 76 76 ALA C C 13 177.81 . . 1 . . . . 149 ALA C . 27026 1 124 . 1 1 76 76 ALA CA C 13 53.30 . . 1 . . . . 149 ALA CA . 27026 1 125 . 1 1 76 76 ALA CB C 13 18.77 . . 1 . . . . 149 ALA CB . 27026 1 126 . 1 1 76 76 ALA N N 15 123.37 . . 1 . . . . 149 ALA N . 27026 1 127 . 1 1 78 78 ASN H H 1 7.96 . . 1 . . . . 151 ASN H . 27026 1 128 . 1 1 78 78 ASN C C 13 175.48 . . 1 . . . . 151 ASN C . 27026 1 129 . 1 1 78 78 ASN CA C 13 53.80 . . 1 . . . . 151 ASN CA . 27026 1 130 . 1 1 78 78 ASN N N 15 116.37 . . 1 . . . . 151 ASN N . 27026 1 131 . 1 1 79 79 LYS H H 1 7.86 . . 1 . . . . 152 LYS H . 27026 1 132 . 1 1 79 79 LYS C C 13 176.69 . . 1 . . . . 152 LYS C . 27026 1 133 . 1 1 79 79 LYS CA C 13 56.70 . . 1 . . . . 152 LYS CA . 27026 1 134 . 1 1 79 79 LYS N N 15 120.56 . . 1 . . . . 152 LYS N . 27026 1 135 . 1 1 106 106 ALA H H 1 8.19 . . 1 . . . . 179 ALA H . 27026 1 136 . 1 1 106 106 ALA C C 13 179.33 . . 1 . . . . 179 ALA C . 27026 1 137 . 1 1 106 106 ALA CA C 13 54.50 . . 1 . . . . 179 ALA CA . 27026 1 138 . 1 1 106 106 ALA N N 15 122.86 . . 1 . . . . 179 ALA N . 27026 1 139 . 1 1 107 107 VAL H H 1 7.85 . . 1 . . . . 180 VAL H . 27026 1 140 . 1 1 107 107 VAL C C 13 177.08 . . 1 . . . . 180 VAL C . 27026 1 141 . 1 1 107 107 VAL CA C 13 65.60 . . 1 . . . . 180 VAL CA . 27026 1 142 . 1 1 107 107 VAL CB C 13 18.97 . . 1 . . . . 180 VAL CB . 27026 1 143 . 1 1 107 107 VAL N N 15 118.23 . . 1 . . . . 180 VAL N . 27026 1 144 . 1 1 108 108 SER H H 1 7.96 . . 1 . . . . 181 SER H . 27026 1 145 . 1 1 108 108 SER C C 13 176.48 . . 1 . . . . 181 SER C . 27026 1 146 . 1 1 108 108 SER CA C 13 60.90 . . 1 . . . . 181 SER CA . 27026 1 147 . 1 1 108 108 SER N N 15 115.10 . . 1 . . . . 181 SER N . 27026 1 148 . 1 1 109 109 ALA H H 1 7.89 . . 1 . . . . 182 ALA H . 27026 1 149 . 1 1 109 109 ALA C C 13 179.57 . . 1 . . . . 182 ALA C . 27026 1 150 . 1 1 109 109 ALA CA C 13 54.50 . . 1 . . . . 182 ALA CA . 27026 1 151 . 1 1 109 109 ALA CB C 13 18.41 . . 1 . . . . 182 ALA CB . 27026 1 152 . 1 1 109 109 ALA N N 15 123.69 . . 1 . . . . 182 ALA N . 27026 1 153 . 1 1 110 110 ALA H H 1 7.79 . . 1 . . . . 183 ALA H . 27026 1 154 . 1 1 110 110 ALA C C 13 179.03 . . 1 . . . . 183 ALA C . 27026 1 155 . 1 1 110 110 ALA CA C 13 54.40 . . 1 . . . . 183 ALA CA . 27026 1 156 . 1 1 110 110 ALA CB C 13 18.47 . . 1 . . . . 183 ALA CB . 27026 1 157 . 1 1 110 110 ALA N N 15 121.63 . . 1 . . . . 183 ALA N . 27026 1 158 . 1 1 111 111 PHE H H 1 7.97 . . 1 . . . . 184 PHE H . 27026 1 159 . 1 1 111 111 PHE C C 13 177.82 . . 1 . . . . 184 PHE C . 27026 1 160 . 1 1 111 111 PHE CA C 13 59.80 . . 1 . . . . 184 PHE CA . 27026 1 161 . 1 1 111 111 PHE CB C 13 39.17 . . 1 . . . . 184 PHE CB . 27026 1 162 . 1 1 111 111 PHE N N 15 117.61 . . 1 . . . . 184 PHE N . 27026 1 163 . 1 1 112 112 GLN H H 1 8.12 . . 1 . . . . 185 GLN H . 27026 1 164 . 1 1 112 112 GLN C C 13 176.74 . . 1 . . . . 185 GLN C . 27026 1 165 . 1 1 112 112 GLN CA C 13 57.40 . . 1 . . . . 185 GLN CA . 27026 1 166 . 1 1 112 112 GLN CB C 13 28.92 . . 1 . . . . 185 GLN CB . 27026 1 167 . 1 1 112 112 GLN N N 15 119.44 . . 1 . . . . 185 GLN N . 27026 1 168 . 1 1 113 113 ALA H H 1 7.79 . . 1 . . . . 186 ALA H . 27026 1 169 . 1 1 113 113 ALA C C 13 178.34 . . 1 . . . . 186 ALA C . 27026 1 170 . 1 1 113 113 ALA CA C 13 53.10 . . 1 . . . . 186 ALA CA . 27026 1 171 . 1 1 113 113 ALA CB C 13 19.00 . . 1 . . . . 186 ALA CB . 27026 1 172 . 1 1 113 113 ALA N N 15 121.38 . . 1 . . . . 186 ALA N . 27026 1 173 . 1 1 114 114 GLY H H 1 7.85 . . 1 . . . . 187 GLY H . 27026 1 174 . 1 1 114 114 GLY C C 13 174.73 . . 1 . . . . 187 GLY C . 27026 1 175 . 1 1 114 114 GLY CA C 13 45.90 . . 1 . . . . 187 GLY CA . 27026 1 176 . 1 1 114 114 GLY N N 15 107.22 . . 1 . . . . 187 GLY N . 27026 1 177 . 1 1 115 115 VAL H H 1 7.63 . . 1 . . . . 188 VAL H . 27026 1 178 . 1 1 115 115 VAL C C 13 175.60 . . 1 . . . . 188 VAL C . 27026 1 179 . 1 1 115 115 VAL CA C 13 63.20 . . 1 . . . . 188 VAL CA . 27026 1 180 . 1 1 115 115 VAL CB C 13 32.41 . . 1 . . . . 188 VAL CB . 27026 1 181 . 1 1 115 115 VAL N N 15 117.96 . . 1 . . . . 188 VAL N . 27026 1 182 . 1 1 116 116 LEU H H 1 7.66 . . 1 . . . . 189 LEU H . 27026 1 183 . 1 1 116 116 LEU C C 13 176.28 . . 1 . . . . 189 LEU C . 27026 1 184 . 1 1 116 116 LEU CA C 13 54.60 . . 1 . . . . 189 LEU CA . 27026 1 185 . 1 1 116 116 LEU CB C 13 42.24 . . 1 . . . . 189 LEU CB . 27026 1 186 . 1 1 116 116 LEU N N 15 120.25 . . 1 . . . . 189 LEU N . 27026 1 187 . 1 1 117 117 SER H H 1 7.78 . . 1 . . . . 190 SER H . 27026 1 188 . 1 1 117 117 SER C C 13 172.92 . . 1 . . . . 190 SER C . 27026 1 189 . 1 1 117 117 SER CA C 13 56.50 . . 1 . . . . 190 SER CA . 27026 1 190 . 1 1 117 117 SER N N 15 116.01 . . 1 . . . . 190 SER N . 27026 1 191 . 1 1 118 118 PRO C C 13 176.92 . . 1 . . . . 191 PRO C . 27026 1 192 . 1 1 118 118 PRO CA C 13 63.60 . . 1 . . . . 191 PRO CA . 27026 1 193 . 1 1 118 118 PRO CB C 13 31.93 . . 1 . . . . 191 PRO CB . 27026 1 194 . 1 1 119 119 THR H H 1 7.91 . . 1 . . . . 192 THR H . 27026 1 195 . 1 1 119 119 THR C C 13 174.38 . . 1 . . . . 192 THR C . 27026 1 196 . 1 1 119 119 THR CA C 13 62.50 . . 1 . . . . 192 THR CA . 27026 1 197 . 1 1 119 119 THR CB C 13 69.44 . . 1 . . . . 192 THR CB . 27026 1 198 . 1 1 119 119 THR N N 15 113.49 . . 1 . . . . 192 THR N . 27026 1 199 . 1 1 120 120 ILE H H 1 7.70 . . 1 . . . . 193 ILE H . 27026 1 200 . 1 1 120 120 ILE C C 13 175.42 . . 1 . . . . 193 ILE C . 27026 1 201 . 1 1 120 120 ILE CA C 13 60.90 . . 1 . . . . 193 ILE CA . 27026 1 202 . 1 1 120 120 ILE CB C 13 38.74 . . 1 . . . . 193 ILE CB . 27026 1 203 . 1 1 120 120 ILE N N 15 121.89 . . 1 . . . . 193 ILE N . 27026 1 204 . 1 1 121 121 SER H H 1 8.03 . . 1 . . . . 194 SER H . 27026 1 205 . 1 1 121 121 SER C C 13 173.04 . . 1 . . . . 194 SER C . 27026 1 206 . 1 1 121 121 SER CA C 13 55.90 . . 1 . . . . 194 SER CA . 27026 1 207 . 1 1 121 121 SER N N 15 119.42 . . 1 . . . . 194 SER N . 27026 1 208 . 1 1 122 122 PRO C C 13 176.49 . . 1 . . . . 195 PRO C . 27026 1 209 . 1 1 122 122 PRO CA C 13 63.40 . . 1 . . . . 195 PRO CA . 27026 1 210 . 1 1 122 122 PRO CB C 13 31.94 . . 1 . . . . 195 PRO CB . 27026 1 211 . 1 1 123 123 ASN H H 1 8.15 . . 1 . . . . 196 ASN H . 27026 1 212 . 1 1 123 123 ASN C C 13 174.97 . . 1 . . . . 196 ASN C . 27026 1 213 . 1 1 123 123 ASN CA C 13 53.10 . . 1 . . . . 196 ASN CA . 27026 1 214 . 1 1 123 123 ASN CB C 13 38.76 . . 1 . . . . 196 ASN CB . 27026 1 215 . 1 1 123 123 ASN N N 15 118.10 . . 1 . . . . 196 ASN N . 27026 1 216 . 1 1 124 124 TYR H H 1 7.81 . . 1 . . . . 197 TYR H . 27026 1 217 . 1 1 124 124 TYR C C 13 175.82 . . 1 . . . . 197 TYR C . 27026 1 218 . 1 1 124 124 TYR CA C 13 58.40 . . 1 . . . . 197 TYR CA . 27026 1 219 . 1 1 124 124 TYR CB C 13 38.65 . . 1 . . . . 197 TYR CB . 27026 1 220 . 1 1 124 124 TYR N N 15 121.37 . . 1 . . . . 197 TYR N . 27026 1 221 . 1 1 125 125 SER H H 1 7.94 . . 1 . . . . 198 SER H . 27026 1 222 . 1 1 125 125 SER C C 13 174.10 . . 1 . . . . 198 SER C . 27026 1 223 . 1 1 125 125 SER CA C 13 58.20 . . 1 . . . . 198 SER CA . 27026 1 224 . 1 1 125 125 SER CB C 13 63.83 . . 1 . . . . 198 SER CB . 27026 1 225 . 1 1 125 125 SER N N 15 117.33 . . 1 . . . . 198 SER N . 27026 1 226 . 1 1 126 126 ASN H H 1 8.13 . . 1 . . . . 199 ASN H . 27026 1 227 . 1 1 126 126 ASN C C 13 174.96 . . 1 . . . . 199 ASN C . 27026 1 228 . 1 1 126 126 ASN CA C 13 53.40 . . 1 . . . . 199 ASN CA . 27026 1 229 . 1 1 126 126 ASN CB C 13 38.98 . . 1 . . . . 199 ASN CB . 27026 1 230 . 1 1 126 126 ASN N N 15 121.37 . . 1 . . . . 199 ASN N . 27026 1 231 . 1 1 127 127 ASP H H 1 8.14 . . 1 . . . . 200 ASP H . 27026 1 232 . 1 1 127 127 ASP C C 13 176.58 . . 1 . . . . 200 ASP C . 27026 1 233 . 1 1 127 127 ASP CA C 13 54.50 . . 1 . . . . 200 ASP CA . 27026 1 234 . 1 1 127 127 ASP CB C 13 40.91 . . 1 . . . . 200 ASP CB . 27026 1 235 . 1 1 127 127 ASP N N 15 120.97 . . 1 . . . . 200 ASP N . 27026 1 236 . 1 1 128 128 LEU H H 1 8.05 . . 1 . . . . 201 LEU H . 27026 1 237 . 1 1 128 128 LEU C C 13 177.75 . . 1 . . . . 201 LEU C . 27026 1 238 . 1 1 128 128 LEU CA C 13 56.00 . . 1 . . . . 201 LEU CA . 27026 1 239 . 1 1 128 128 LEU CB C 13 41.86 . . 1 . . . . 201 LEU CB . 27026 1 240 . 1 1 128 128 LEU N N 15 122.72 . . 1 . . . . 201 LEU N . 27026 1 241 . 1 1 129 129 ASN H H 1 8.21 . . 1 . . . . 202 ASN H . 27026 1 242 . 1 1 129 129 ASN C C 13 175.70 . . 1 . . . . 202 ASN C . 27026 1 243 . 1 1 129 129 ASN CA C 13 53.70 . . 1 . . . . 202 ASN CA . 27026 1 244 . 1 1 129 129 ASN CB C 13 38.77 . . 1 . . . . 202 ASN CB . 27026 1 245 . 1 1 129 129 ASN N N 15 118.55 . . 1 . . . . 202 ASN N . 27026 1 246 . 1 1 130 130 SER H H 1 7.97 . . 1 . . . . 203 SER H . 27026 1 247 . 1 1 130 130 SER C C 13 174.85 . . 1 . . . . 203 SER C . 27026 1 248 . 1 1 130 130 SER CA C 13 58.90 . . 1 . . . . 203 SER CA . 27026 1 249 . 1 1 130 130 SER CB C 13 63.58 . . 1 . . . . 203 SER CB . 27026 1 250 . 1 1 130 130 SER N N 15 116.16 . . 1 . . . . 203 SER N . 27026 1 251 . 1 1 131 131 MET H H 1 8.10 . . 1 . . . . 204 MET H . 27026 1 252 . 1 1 131 131 MET C C 13 176.10 . . 1 . . . . 204 MET C . 27026 1 253 . 1 1 131 131 MET CA C 13 55.62 . . 1 . . . . 204 MET CA . 27026 1 254 . 1 1 131 131 MET CB C 13 32.59 . . 1 . . . . 204 MET CB . 27026 1 255 . 1 1 131 131 MET N N 15 122.10 . . 1 . . . . 204 MET N . 27026 1 256 . 1 1 132 132 ALA H H 1 8.01 . . 1 . . . . 205 ALA H . 27026 1 257 . 1 1 132 132 ALA C C 13 178.04 . . 1 . . . . 205 ALA C . 27026 1 258 . 1 1 132 132 ALA CA C 13 52.74 . . 1 . . . . 205 ALA CA . 27026 1 259 . 1 1 132 132 ALA CB C 13 19.08 . . 1 . . . . 205 ALA CB . 27026 1 260 . 1 1 132 132 ALA N N 15 124.96 . . 1 . . . . 205 ALA N . 27026 1 261 . 1 1 133 133 GLY H H 1 8.14 . . 1 . . . . 206 GLY H . 27026 1 262 . 1 1 133 133 GLY C C 13 173.80 . . 1 . . . . 206 GLY C . 27026 1 263 . 1 1 133 133 GLY CA C 13 44.95 . . 1 . . . . 206 GLY CA . 27026 1 264 . 1 1 133 133 GLY N N 15 108.37 . . 1 . . . . 206 GLY N . 27026 1 265 . 1 1 134 134 SER H H 1 8.01 . . 1 . . . . 207 SER H . 27026 1 266 . 1 1 134 134 SER C C 13 172.66 . . 1 . . . . 207 SER C . 27026 1 267 . 1 1 134 134 SER CA C 13 56.37 . . 1 . . . . 207 SER CA . 27026 1 268 . 1 1 134 134 SER N N 15 117.21 . . 1 . . . . 207 SER N . 27026 1 269 . 1 1 135 135 PRO C C 13 176.94 . . 1 . . . . 208 PRO C . 27026 1 270 . 1 1 135 135 PRO CA C 13 63.16 . . 1 . . . . 208 PRO CA . 27026 1 271 . 1 1 135 135 PRO CB C 13 31.99 . . 1 . . . . 208 PRO CB . 27026 1 272 . 1 1 136 136 VAL H H 1 8.08 . . 1 . . . . 209 VAL H . 27026 1 273 . 1 1 136 136 VAL C C 13 176.29 . . 1 . . . . 209 VAL C . 27026 1 274 . 1 1 136 136 VAL CA C 13 62.28 . . 1 . . . . 209 VAL CA . 27026 1 275 . 1 1 136 136 VAL CB C 13 32.67 . . 1 . . . . 209 VAL CB . 27026 1 276 . 1 1 136 136 VAL N N 15 120.57 . . 1 . . . . 209 VAL N . 27026 1 277 . 1 1 137 137 SER H H 1 8.22 . . 1 . . . . 210 SER H . 27026 1 278 . 1 1 137 137 SER C C 13 174.32 . . 1 . . . . 210 SER C . 27026 1 279 . 1 1 137 137 SER CA C 13 58.09 . . 1 . . . . 210 SER CA . 27026 1 280 . 1 1 137 137 SER CB C 13 63.88 . . 1 . . . . 210 SER CB . 27026 1 281 . 1 1 137 137 SER N N 15 119.78 . . 1 . . . . 210 SER N . 27026 1 282 . 1 1 138 138 SER H H 1 8.15 . . 1 . . . . 211 SER H . 27026 1 283 . 1 1 138 138 SER C C 13 173.84 . . 1 . . . . 211 SER C . 27026 1 284 . 1 1 138 138 SER CA C 13 58.14 . . 1 . . . . 211 SER CA . 27026 1 285 . 1 1 138 138 SER CB C 13 63.78 . . 1 . . . . 211 SER CB . 27026 1 286 . 1 1 138 138 SER N N 15 118.36 . . 1 . . . . 211 SER N . 27026 1 287 . 1 1 139 139 TYR H H 1 8.05 . . 1 . . . . 212 TYR H . 27026 1 288 . 1 1 139 139 TYR C C 13 175.56 . . 1 . . . . 212 TYR C . 27026 1 289 . 1 1 139 139 TYR CA C 13 57.91 . . 1 . . . . 212 TYR CA . 27026 1 290 . 1 1 139 139 TYR CB C 13 38.87 . . 1 . . . . 212 TYR CB . 27026 1 291 . 1 1 139 139 TYR N N 15 122.62 . . 1 . . . . 212 TYR N . 27026 1 292 . 1 1 140 140 SER H H 1 8.06 . . 1 . . . . 213 SER H . 27026 1 293 . 1 1 140 140 SER C C 13 174.12 . . 1 . . . . 213 SER C . 27026 1 294 . 1 1 140 140 SER CA C 13 57.77 . . 1 . . . . 213 SER CA . 27026 1 295 . 1 1 140 140 SER CB C 13 64.00 . . 1 . . . . 213 SER CB . 27026 1 296 . 1 1 140 140 SER N N 15 118.42 . . 1 . . . . 213 SER N . 27026 1 297 . 1 1 141 141 SER H H 1 8.24 . . 1 . . . . 214 SER H . 27026 1 298 . 1 1 141 141 SER C C 13 174.24 . . 1 . . . . 214 SER C . 27026 1 299 . 1 1 141 141 SER CA C 13 58.26 . . 1 . . . . 214 SER CA . 27026 1 300 . 1 1 141 141 SER CB C 13 63.85 . . 1 . . . . 214 SER CB . 27026 1 301 . 1 1 141 141 SER N N 15 118.60 . . 1 . . . . 214 SER N . 27026 1 302 . 1 1 142 142 ASP H H 1 8.24 . . 1 . . . . 215 ASP H . 27026 1 303 . 1 1 142 142 ASP C C 13 176.33 . . 1 . . . . 215 ASP C . 27026 1 304 . 1 1 142 142 ASP CA C 13 54.39 . . 1 . . . . 215 ASP CA . 27026 1 305 . 1 1 142 142 ASP CB C 13 41.13 . . 1 . . . . 215 ASP CB . 27026 1 306 . 1 1 142 142 ASP N N 15 122.86 . . 1 . . . . 215 ASP N . 27026 1 307 . 1 1 143 143 GLU H H 1 8.25 . . 1 . . . . 216 GLU H . 27026 1 308 . 1 1 143 143 GLU C C 13 177.03 . . 1 . . . . 216 GLU C . 27026 1 309 . 1 1 143 143 GLU CA C 13 56.95 . . 1 . . . . 216 GLU CA . 27026 1 310 . 1 1 143 143 GLU CB C 13 30.04 . . 1 . . . . 216 GLU CB . 27026 1 311 . 1 1 143 143 GLU N N 15 121.91 . . 1 . . . . 216 GLU N . 27026 1 312 . 1 1 144 144 GLY H H 1 8.28 . . 1 . . . . 217 GLY H . 27026 1 313 . 1 1 144 144 GLY C C 13 173.95 . . 1 . . . . 217 GLY C . 27026 1 314 . 1 1 144 144 GLY CA C 13 45.28 . . 1 . . . . 217 GLY CA . 27026 1 315 . 1 1 144 144 GLY N N 15 110.15 . . 1 . . . . 217 GLY N . 27026 1 316 . 1 1 145 145 SER H H 1 7.91 . . 1 . . . . 218 SER H . 27026 1 317 . 1 1 145 145 SER C C 13 173.78 . . 1 . . . . 218 SER C . 27026 1 318 . 1 1 145 145 SER CA C 13 57.97 . . 1 . . . . 218 SER CA . 27026 1 319 . 1 1 145 145 SER CB C 13 63.88 . . 1 . . . . 218 SER CB . 27026 1 320 . 1 1 145 145 SER N N 15 115.78 . . 1 . . . . 218 SER N . 27026 1 321 . 1 1 146 146 TYR H H 1 8.04 . . 1 . . . . 219 TYR H . 27026 1 322 . 1 1 146 146 TYR C C 13 174.64 . . 1 . . . . 219 TYR C . 27026 1 323 . 1 1 146 146 TYR CA C 13 57.37 . . 1 . . . . 219 TYR CA . 27026 1 324 . 1 1 146 146 TYR CB C 13 38.94 . . 1 . . . . 219 TYR CB . 27026 1 325 . 1 1 146 146 TYR N N 15 122.95 . . 1 . . . . 219 TYR N . 27026 1 326 . 1 1 147 147 ASP H H 1 8.17 . . 1 . . . . 220 ASP H . 27026 1 327 . 1 1 147 147 ASP C C 13 174.04 . . 1 . . . . 220 ASP C . 27026 1 328 . 1 1 147 147 ASP CA C 13 51.58 . . 1 . . . . 220 ASP CA . 27026 1 329 . 1 1 147 147 ASP N N 15 125.32 . . 1 . . . . 220 ASP N . 27026 1 330 . 1 1 148 148 PRO C C 13 176.85 . . 1 . . . . 221 PRO C . 27026 1 331 . 1 1 148 148 PRO CA C 13 63.05 . . 1 . . . . 221 PRO CA . 27026 1 332 . 1 1 148 148 PRO CB C 13 32.09 . . 1 . . . . 221 PRO CB . 27026 1 333 . 1 1 149 149 LEU H H 1 8.13 . . 1 . . . . 222 LEU H . 27026 1 334 . 1 1 149 149 LEU C C 13 177.39 . . 1 . . . . 222 LEU C . 27026 1 335 . 1 1 149 149 LEU CA C 13 54.75 . . 1 . . . . 222 LEU CA . 27026 1 336 . 1 1 149 149 LEU CB C 13 42.09 . . 1 . . . . 222 LEU CB . 27026 1 337 . 1 1 149 149 LEU N N 15 121.53 . . 1 . . . . 222 LEU N . 27026 1 338 . 1 1 150 150 SER H H 1 8.14 . . 1 . . . . 223 SER H . 27026 1 339 . 1 1 150 150 SER C C 13 172.91 . . 1 . . . . 223 SER C . 27026 1 340 . 1 1 150 150 SER CA C 13 56.40 . . 1 . . . . 223 SER CA . 27026 1 341 . 1 1 150 150 SER N N 15 118.76 . . 1 . . . . 223 SER N . 27026 1 342 . 1 1 151 151 PRO C C 13 177.67 . . 1 . . . . 224 PRO C . 27026 1 343 . 1 1 151 151 PRO CA C 13 64.01 . . 1 . . . . 224 PRO CA . 27026 1 344 . 1 1 151 151 PRO CB C 13 31.91 . . 1 . . . . 224 PRO CB . 27026 1 345 . 1 1 152 152 GLU H H 1 8.44 . . 1 . . . . 225 GLU H . 27026 1 346 . 1 1 152 152 GLU C C 13 177.33 . . 1 . . . . 225 GLU C . 27026 1 347 . 1 1 152 152 GLU CA C 13 57.65 . . 1 . . . . 225 GLU CA . 27026 1 348 . 1 1 152 152 GLU CB C 13 29.71 . . 1 . . . . 225 GLU CB . 27026 1 349 . 1 1 152 152 GLU N N 15 120.08 . . 1 . . . . 225 GLU N . 27026 1 350 . 1 1 153 153 GLU H H 1 8.05 . . 1 . . . . 226 GLU H . 27026 1 351 . 1 1 153 153 GLU C C 13 177.11 . . 1 . . . . 226 GLU C . 27026 1 352 . 1 1 153 153 GLU CA C 13 57.08 . . 1 . . . . 226 GLU CA . 27026 1 353 . 1 1 153 153 GLU CB C 13 30.19 . . 1 . . . . 226 GLU CB . 27026 1 354 . 1 1 153 153 GLU N N 15 121.61 . . 1 . . . . 226 GLU N . 27026 1 355 . 1 1 154 154 GLN H H 1 8.20 . . 1 . . . . 227 GLN H . 27026 1 356 . 1 1 154 154 GLN C C 13 176.33 . . 1 . . . . 227 GLN C . 27026 1 357 . 1 1 154 154 GLN CA C 13 56.50 . . 1 . . . . 227 GLN CA . 27026 1 358 . 1 1 154 154 GLN CB C 13 29.39 . . 1 . . . . 227 GLN CB . 27026 1 359 . 1 1 154 154 GLN N N 15 121.20 . . 1 . . . . 227 GLN N . 27026 1 360 . 1 1 155 155 GLU H H 1 8.17 . . 1 . . . . 228 GLU H . 27026 1 361 . 1 1 155 155 GLU C C 13 176.62 . . 1 . . . . 228 GLU C . 27026 1 362 . 1 1 155 155 GLU CA C 13 57.11 . . 1 . . . . 228 GLU CA . 27026 1 363 . 1 1 155 155 GLU CB C 13 30.03 . . 1 . . . . 228 GLU CB . 27026 1 364 . 1 1 155 155 GLU N N 15 121.73 . . 1 . . . . 228 GLU N . 27026 1 365 . 1 1 156 156 LEU H H 1 7.90 . . 1 . . . . 229 LEU H . 27026 1 366 . 1 1 156 156 LEU C C 13 177.40 . . 1 . . . . 229 LEU C . 27026 1 367 . 1 1 156 156 LEU CA C 13 55.35 . . 1 . . . . 229 LEU CA . 27026 1 368 . 1 1 156 156 LEU CB C 13 42.06 . . 1 . . . . 229 LEU CB . 27026 1 369 . 1 1 156 156 LEU N N 15 122.74 . . 1 . . . . 229 LEU N . 27026 1 370 . 1 1 157 157 LEU H H 1 7.86 . . 1 . . . . 230 LEU H . 27026 1 371 . 1 1 157 157 LEU C C 13 176.86 . . 1 . . . . 230 LEU C . 27026 1 372 . 1 1 157 157 LEU CA C 13 55.19 . . 1 . . . . 230 LEU CA . 27026 1 373 . 1 1 157 157 LEU CB C 13 42.35 . . 1 . . . . 230 LEU CB . 27026 1 374 . 1 1 157 157 LEU N N 15 122.88 . . 1 . . . . 230 LEU N . 27026 1 375 . 1 1 158 158 ASP H H 1 7.98 . . 1 . . . . 231 ASP H . 27026 1 376 . 1 1 158 158 ASP C C 13 176.07 . . 1 . . . . 231 ASP C . 27026 1 377 . 1 1 158 158 ASP CA C 13 54.13 . . 1 . . . . 231 ASP CA . 27026 1 378 . 1 1 158 158 ASP CB C 13 41.10 . . 1 . . . . 231 ASP CB . 27026 1 379 . 1 1 158 158 ASP N N 15 120.80 . . 1 . . . . 231 ASP N . 27026 1 380 . 1 1 159 159 PHE H H 1 7.98 . . 1 . . . . 232 PHE H . 27026 1 381 . 1 1 159 159 PHE C C 13 176.07 . . 1 . . . . 232 PHE C . 27026 1 382 . 1 1 159 159 PHE CA C 13 57.97 . . 1 . . . . 232 PHE CA . 27026 1 383 . 1 1 159 159 PHE CB C 13 39.10 . . 1 . . . . 232 PHE CB . 27026 1 384 . 1 1 159 159 PHE N N 15 121.35 . . 1 . . . . 232 PHE N . 27026 1 385 . 1 1 160 160 THR H H 1 7.92 . . 1 . . . . 233 THR H . 27026 1 386 . 1 1 160 160 THR C C 13 174.13 . . 1 . . . . 233 THR C . 27026 1 387 . 1 1 160 160 THR CA C 13 62.77 . . 1 . . . . 233 THR CA . 27026 1 388 . 1 1 160 160 THR CB C 13 69.55 . . 1 . . . . 233 THR CB . 27026 1 389 . 1 1 160 160 THR N N 15 115.53 . . 1 . . . . 233 THR N . 27026 1 390 . 1 1 161 161 ASN H H 1 7.97 . . 1 . . . . 234 ASN H . 27026 1 391 . 1 1 161 161 ASN C C 13 174.40 . . 1 . . . . 234 ASN C . 27026 1 392 . 1 1 161 161 ASN CA C 13 53.06 . . 1 . . . . 234 ASN CA . 27026 1 393 . 1 1 161 161 ASN CB C 13 38.91 . . 1 . . . . 234 ASN CB . 27026 1 394 . 1 1 161 161 ASN N N 15 120.82 . . 1 . . . . 234 ASN N . 27026 1 395 . 1 1 162 162 TRP H H 1 7.70 . . 1 . . . . 235 TRP H . 27026 1 396 . 1 1 162 162 TRP C C 13 174.72 . . 1 . . . . 235 TRP C . 27026 1 397 . 1 1 162 162 TRP CA C 13 56.99 . . 1 . . . . 235 TRP CA . 27026 1 398 . 1 1 162 162 TRP CB C 13 29.67 . . 1 . . . . 235 TRP CB . 27026 1 399 . 1 1 162 162 TRP N N 15 121.74 . . 1 . . . . 235 TRP N . 27026 1 400 . 1 1 163 163 PHE H H 1 7.34 . . 1 . . . . 236 PHE H . 27026 1 401 . 1 1 163 163 PHE C C 13 179.93 . . 1 . . . . 236 PHE C . 27026 1 402 . 1 1 163 163 PHE CA C 13 58.79 . . 1 . . . . 236 PHE CA . 27026 1 403 . 1 1 163 163 PHE N N 15 125.85 . . 1 . . . . 236 PHE N . 27026 1 stop_ save_