data_27636 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27636 _Entry.Title ; Thioredoxin-huntingtin exon 1(Q7) fusion ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-10-03 _Entry.Accession_date 2018-10-03 _Entry.Last_release_date 2018-10-03 _Entry.Original_release_date 2018-10-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Tobias Ulmer . . . . 27636 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27636 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 288 27636 '15N chemical shifts' 154 27636 '1H chemical shifts' 154 27636 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-01-18 2018-10-03 update BMRB 'update entry citation' 27636 1 . . 2018-11-14 2018-10-03 original author 'original release' 27636 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27636 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.RA118.004808 _Citation.PubMed_ID 30315108 _Citation.Full_citation . _Citation.Title ; The folding equilibrium of huntingtin exon 1 monomer depends on its polyglutamine tract. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 293 _Citation.Journal_issue 51 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 19613 _Citation.Page_last 19623 _Citation.Year 2018 _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 Jose Bravo-Arredondo . M. . . 27636 1 2 Natalie Kegulian . C. . . 27636 1 3 Thomas Schmidt . . . . 27636 1 4 Nitin Pandey . K. . . 27636 1 5 Alan Situ . J. . . 27636 1 6 Ralf Langen . . . . 27636 1 7 Tobias Ulmer . S. . . 27636 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27636 _Assembly.ID 1 _Assembly.Name 'huntingtin exon 1 mutant' _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 monomer 1 $Thr-Httex1(Q7) A . yes native no no . . . 27636 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Thr-Httex1(Q7) _Entity.Sf_category entity _Entity.Sf_framecode Thr-Httex1(Q7) _Entity.Entry_ID 27636 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Thr-Httex1(Q7) _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 ; MSDKIIHLTDDSFDTDVLKA DGAILVDFWAEWSGPSKMIA PILDEIADEYQGKLTVAKLN IDQNPGTAPKYGIRGIPTLL LFKNGEVAATKVGALSKGQL KEFLDANLAGSGSGERQHMD SPDLGTDDDDKAMATLEKLM KAFESLKSFQQQQQQQPPPP PPPPPPPQLPQPPPQAQPLL PQPQPPPPPPPPPPGPAVAE EPLHRPHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 212 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27636 1 2 . SER . 27636 1 3 . ASP . 27636 1 4 . LYS . 27636 1 5 . ILE . 27636 1 6 . ILE . 27636 1 7 . HIS . 27636 1 8 . LEU . 27636 1 9 . THR . 27636 1 10 . ASP . 27636 1 11 . ASP . 27636 1 12 . SER . 27636 1 13 . PHE . 27636 1 14 . ASP . 27636 1 15 . THR . 27636 1 16 . ASP . 27636 1 17 . VAL . 27636 1 18 . LEU . 27636 1 19 . LYS . 27636 1 20 . ALA . 27636 1 21 . ASP . 27636 1 22 . GLY . 27636 1 23 . ALA . 27636 1 24 . ILE . 27636 1 25 . LEU . 27636 1 26 . VAL . 27636 1 27 . ASP . 27636 1 28 . PHE . 27636 1 29 . TRP . 27636 1 30 . ALA . 27636 1 31 . GLU . 27636 1 32 . TRP . 27636 1 33 . SER . 27636 1 34 . GLY . 27636 1 35 . PRO . 27636 1 36 . SER . 27636 1 37 . LYS . 27636 1 38 . MET . 27636 1 39 . ILE . 27636 1 40 . ALA . 27636 1 41 . PRO . 27636 1 42 . ILE . 27636 1 43 . LEU . 27636 1 44 . ASP . 27636 1 45 . GLU . 27636 1 46 . ILE . 27636 1 47 . ALA . 27636 1 48 . ASP . 27636 1 49 . GLU . 27636 1 50 . TYR . 27636 1 51 . GLN . 27636 1 52 . GLY . 27636 1 53 . LYS . 27636 1 54 . LEU . 27636 1 55 . THR . 27636 1 56 . VAL . 27636 1 57 . ALA . 27636 1 58 . LYS . 27636 1 59 . LEU . 27636 1 60 . ASN . 27636 1 61 . ILE . 27636 1 62 . ASP . 27636 1 63 . GLN . 27636 1 64 . ASN . 27636 1 65 . PRO . 27636 1 66 . GLY . 27636 1 67 . THR . 27636 1 68 . ALA . 27636 1 69 . PRO . 27636 1 70 . LYS . 27636 1 71 . TYR . 27636 1 72 . GLY . 27636 1 73 . ILE . 27636 1 74 . ARG . 27636 1 75 . GLY . 27636 1 76 . ILE . 27636 1 77 . PRO . 27636 1 78 . THR . 27636 1 79 . LEU . 27636 1 80 . LEU . 27636 1 81 . LEU . 27636 1 82 . PHE . 27636 1 83 . LYS . 27636 1 84 . ASN . 27636 1 85 . GLY . 27636 1 86 . GLU . 27636 1 87 . VAL . 27636 1 88 . ALA . 27636 1 89 . ALA . 27636 1 90 . THR . 27636 1 91 . LYS . 27636 1 92 . VAL . 27636 1 93 . GLY . 27636 1 94 . ALA . 27636 1 95 . LEU . 27636 1 96 . SER . 27636 1 97 . LYS . 27636 1 98 . GLY . 27636 1 99 . GLN . 27636 1 100 . LEU . 27636 1 101 . LYS . 27636 1 102 . GLU . 27636 1 103 . PHE . 27636 1 104 . LEU . 27636 1 105 . ASP . 27636 1 106 . ALA . 27636 1 107 . ASN . 27636 1 108 . LEU . 27636 1 109 . ALA . 27636 1 110 . GLY . 27636 1 111 . SER . 27636 1 112 . GLY . 27636 1 113 . SER . 27636 1 114 . GLY . 27636 1 115 . GLU . 27636 1 116 . ARG . 27636 1 117 . GLN . 27636 1 118 . HIS . 27636 1 119 . MET . 27636 1 120 . ASP . 27636 1 121 . SER . 27636 1 122 . PRO . 27636 1 123 . ASP . 27636 1 124 . LEU . 27636 1 125 . GLY . 27636 1 126 . THR . 27636 1 127 . ASP . 27636 1 128 . ASP . 27636 1 129 . ASP . 27636 1 130 . ASP . 27636 1 131 . LYS . 27636 1 132 . ALA . 27636 1 133 . MET . 27636 1 134 . ALA . 27636 1 135 . THR . 27636 1 136 . LEU . 27636 1 137 . GLU . 27636 1 138 . LYS . 27636 1 139 . LEU . 27636 1 140 . MET . 27636 1 141 . LYS . 27636 1 142 . ALA . 27636 1 143 . PHE . 27636 1 144 . GLU . 27636 1 145 . SER . 27636 1 146 . LEU . 27636 1 147 . LYS . 27636 1 148 . SER . 27636 1 149 . PHE . 27636 1 150 . GLN . 27636 1 151 . GLN . 27636 1 152 . GLN . 27636 1 153 . GLN . 27636 1 154 . GLN . 27636 1 155 . GLN . 27636 1 156 . GLN . 27636 1 157 . PRO . 27636 1 158 . PRO . 27636 1 159 . PRO . 27636 1 160 . PRO . 27636 1 161 . PRO . 27636 1 162 . PRO . 27636 1 163 . PRO . 27636 1 164 . PRO . 27636 1 165 . PRO . 27636 1 166 . PRO . 27636 1 167 . PRO . 27636 1 168 . GLN . 27636 1 169 . LEU . 27636 1 170 . PRO . 27636 1 171 . GLN . 27636 1 172 . PRO . 27636 1 173 . PRO . 27636 1 174 . PRO . 27636 1 175 . GLN . 27636 1 176 . ALA . 27636 1 177 . GLN . 27636 1 178 . PRO . 27636 1 179 . LEU . 27636 1 180 . LEU . 27636 1 181 . PRO . 27636 1 182 . GLN . 27636 1 183 . PRO . 27636 1 184 . GLN . 27636 1 185 . PRO . 27636 1 186 . PRO . 27636 1 187 . PRO . 27636 1 188 . PRO . 27636 1 189 . PRO . 27636 1 190 . PRO . 27636 1 191 . PRO . 27636 1 192 . PRO . 27636 1 193 . PRO . 27636 1 194 . PRO . 27636 1 195 . GLY . 27636 1 196 . PRO . 27636 1 197 . ALA . 27636 1 198 . VAL . 27636 1 199 . ALA . 27636 1 200 . GLU . 27636 1 201 . GLU . 27636 1 202 . PRO . 27636 1 203 . LEU . 27636 1 204 . HIS . 27636 1 205 . ARG . 27636 1 206 . PRO . 27636 1 207 . HIS . 27636 1 208 . HIS . 27636 1 209 . HIS . 27636 1 210 . HIS . 27636 1 211 . HIS . 27636 1 212 . HIS . 27636 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 27636 1 . SER 2 2 27636 1 . ASP 3 3 27636 1 . LYS 4 4 27636 1 . ILE 5 5 27636 1 . ILE 6 6 27636 1 . HIS 7 7 27636 1 . LEU 8 8 27636 1 . THR 9 9 27636 1 . ASP 10 10 27636 1 . ASP 11 11 27636 1 . SER 12 12 27636 1 . PHE 13 13 27636 1 . ASP 14 14 27636 1 . THR 15 15 27636 1 . ASP 16 16 27636 1 . VAL 17 17 27636 1 . LEU 18 18 27636 1 . LYS 19 19 27636 1 . ALA 20 20 27636 1 . ASP 21 21 27636 1 . GLY 22 22 27636 1 . ALA 23 23 27636 1 . ILE 24 24 27636 1 . LEU 25 25 27636 1 . VAL 26 26 27636 1 . ASP 27 27 27636 1 . PHE 28 28 27636 1 . TRP 29 29 27636 1 . ALA 30 30 27636 1 . GLU 31 31 27636 1 . TRP 32 32 27636 1 . SER 33 33 27636 1 . GLY 34 34 27636 1 . PRO 35 35 27636 1 . SER 36 36 27636 1 . LYS 37 37 27636 1 . MET 38 38 27636 1 . ILE 39 39 27636 1 . ALA 40 40 27636 1 . PRO 41 41 27636 1 . ILE 42 42 27636 1 . LEU 43 43 27636 1 . ASP 44 44 27636 1 . GLU 45 45 27636 1 . ILE 46 46 27636 1 . ALA 47 47 27636 1 . ASP 48 48 27636 1 . GLU 49 49 27636 1 . TYR 50 50 27636 1 . GLN 51 51 27636 1 . GLY 52 52 27636 1 . LYS 53 53 27636 1 . LEU 54 54 27636 1 . THR 55 55 27636 1 . VAL 56 56 27636 1 . ALA 57 57 27636 1 . LYS 58 58 27636 1 . LEU 59 59 27636 1 . ASN 60 60 27636 1 . ILE 61 61 27636 1 . ASP 62 62 27636 1 . GLN 63 63 27636 1 . ASN 64 64 27636 1 . PRO 65 65 27636 1 . GLY 66 66 27636 1 . THR 67 67 27636 1 . ALA 68 68 27636 1 . PRO 69 69 27636 1 . LYS 70 70 27636 1 . TYR 71 71 27636 1 . GLY 72 72 27636 1 . ILE 73 73 27636 1 . ARG 74 74 27636 1 . GLY 75 75 27636 1 . ILE 76 76 27636 1 . PRO 77 77 27636 1 . THR 78 78 27636 1 . LEU 79 79 27636 1 . LEU 80 80 27636 1 . LEU 81 81 27636 1 . PHE 82 82 27636 1 . LYS 83 83 27636 1 . ASN 84 84 27636 1 . GLY 85 85 27636 1 . GLU 86 86 27636 1 . VAL 87 87 27636 1 . ALA 88 88 27636 1 . ALA 89 89 27636 1 . THR 90 90 27636 1 . LYS 91 91 27636 1 . VAL 92 92 27636 1 . GLY 93 93 27636 1 . ALA 94 94 27636 1 . LEU 95 95 27636 1 . SER 96 96 27636 1 . LYS 97 97 27636 1 . GLY 98 98 27636 1 . GLN 99 99 27636 1 . LEU 100 100 27636 1 . LYS 101 101 27636 1 . GLU 102 102 27636 1 . PHE 103 103 27636 1 . LEU 104 104 27636 1 . ASP 105 105 27636 1 . ALA 106 106 27636 1 . ASN 107 107 27636 1 . LEU 108 108 27636 1 . ALA 109 109 27636 1 . GLY 110 110 27636 1 . SER 111 111 27636 1 . GLY 112 112 27636 1 . SER 113 113 27636 1 . GLY 114 114 27636 1 . GLU 115 115 27636 1 . ARG 116 116 27636 1 . GLN 117 117 27636 1 . HIS 118 118 27636 1 . MET 119 119 27636 1 . ASP 120 120 27636 1 . SER 121 121 27636 1 . PRO 122 122 27636 1 . ASP 123 123 27636 1 . LEU 124 124 27636 1 . GLY 125 125 27636 1 . THR 126 126 27636 1 . ASP 127 127 27636 1 . ASP 128 128 27636 1 . ASP 129 129 27636 1 . ASP 130 130 27636 1 . LYS 131 131 27636 1 . ALA 132 132 27636 1 . MET 133 133 27636 1 . ALA 134 134 27636 1 . THR 135 135 27636 1 . LEU 136 136 27636 1 . GLU 137 137 27636 1 . LYS 138 138 27636 1 . LEU 139 139 27636 1 . MET 140 140 27636 1 . LYS 141 141 27636 1 . ALA 142 142 27636 1 . PHE 143 143 27636 1 . GLU 144 144 27636 1 . SER 145 145 27636 1 . LEU 146 146 27636 1 . LYS 147 147 27636 1 . SER 148 148 27636 1 . PHE 149 149 27636 1 . GLN 150 150 27636 1 . GLN 151 151 27636 1 . GLN 152 152 27636 1 . GLN 153 153 27636 1 . GLN 154 154 27636 1 . GLN 155 155 27636 1 . GLN 156 156 27636 1 . PRO 157 157 27636 1 . PRO 158 158 27636 1 . PRO 159 159 27636 1 . PRO 160 160 27636 1 . PRO 161 161 27636 1 . PRO 162 162 27636 1 . PRO 163 163 27636 1 . PRO 164 164 27636 1 . PRO 165 165 27636 1 . PRO 166 166 27636 1 . PRO 167 167 27636 1 . GLN 168 168 27636 1 . LEU 169 169 27636 1 . PRO 170 170 27636 1 . GLN 171 171 27636 1 . PRO 172 172 27636 1 . PRO 173 173 27636 1 . PRO 174 174 27636 1 . GLN 175 175 27636 1 . ALA 176 176 27636 1 . GLN 177 177 27636 1 . PRO 178 178 27636 1 . LEU 179 179 27636 1 . LEU 180 180 27636 1 . PRO 181 181 27636 1 . GLN 182 182 27636 1 . PRO 183 183 27636 1 . GLN 184 184 27636 1 . PRO 185 185 27636 1 . PRO 186 186 27636 1 . PRO 187 187 27636 1 . PRO 188 188 27636 1 . PRO 189 189 27636 1 . PRO 190 190 27636 1 . PRO 191 191 27636 1 . PRO 192 192 27636 1 . PRO 193 193 27636 1 . PRO 194 194 27636 1 . GLY 195 195 27636 1 . PRO 196 196 27636 1 . ALA 197 197 27636 1 . VAL 198 198 27636 1 . ALA 199 199 27636 1 . GLU 200 200 27636 1 . GLU 201 201 27636 1 . PRO 202 202 27636 1 . LEU 203 203 27636 1 . HIS 204 204 27636 1 . ARG 205 205 27636 1 . PRO 206 206 27636 1 . HIS 207 207 27636 1 . HIS 208 208 27636 1 . HIS 209 209 27636 1 . HIS 210 210 27636 1 . HIS 211 211 27636 1 . HIS 212 212 27636 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 27636 _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 $Thr-Httex1(Q7) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27636 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 27636 _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 $Thr-Httex1(Q7) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET32a . . . 27636 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27636 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Thr-Httex1(Q7) '[U-99% 13C; U-99% 15N]' . . 1 $Thr-Httex1(Q7) . . 0.3 . . mM . . . . 27636 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 27636 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 27636 1 pH 6.0 . pH 27636 1 pressure ambient . atm 27636 1 temperature 298 . K 27636 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27636 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27636 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27636 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 27636 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 27636 _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 . 700 . . . 27636 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 27636 _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 . . . . . . . . . . . . . . . . 27636 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27636 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27636 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27636 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 27636 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.771 internal indirect 0.25144954 . . . . . 27636 1 H 1 water protons . . . . ppm 4.771 internal direct 1 . . . . . 27636 1 N 15 water protons . . . . ppm 4.771 internal indirect 0.10132900 . . . . . 27636 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 27636 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27636 1 2 '3D HNCA' . . . 27636 1 3 '3D HNCACB' . . . 27636 1 4 '3D CBCA(CO)NH' . . . 27636 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ASP H H 1 8.885 0.020 . 1 . . . . . 3 ASP H . 27636 1 2 . 1 1 3 3 ASP CA C 13 54.445 0.3 . 1 . . . . . 3 ASP CA . 27636 1 3 . 1 1 3 3 ASP CB C 13 40.855 0.3 . 1 . . . . . 3 ASP CB . 27636 1 4 . 1 1 3 3 ASP N N 15 123.395 0.3 . 1 . . . . . 3 ASP N . 27636 1 5 . 1 1 4 4 LYS H H 1 8.411 0.020 . 1 . . . . . 4 LYS H . 27636 1 6 . 1 1 4 4 LYS CA C 13 56.596 0.3 . 1 . . . . . 4 LYS CA . 27636 1 7 . 1 1 4 4 LYS CB C 13 33.206 0.3 . 1 . . . . . 4 LYS CB . 27636 1 8 . 1 1 4 4 LYS N N 15 119.711 0.3 . 1 . . . . . 4 LYS N . 27636 1 9 . 1 1 5 5 ILE H H 1 7.508 0.020 . 1 . . . . . 5 ILE H . 27636 1 10 . 1 1 5 5 ILE CA C 13 60.421 0.3 . 1 . . . . . 5 ILE CA . 27636 1 11 . 1 1 5 5 ILE CB C 13 38.146 0.3 . 1 . . . . . 5 ILE CB . 27636 1 12 . 1 1 5 5 ILE N N 15 120.810 0.3 . 1 . . . . . 5 ILE N . 27636 1 13 . 1 1 6 6 ILE H H 1 8.441 0.020 . 1 . . . . . 6 ILE H . 27636 1 14 . 1 1 6 6 ILE CA C 13 60.527 0.3 . 1 . . . . . 6 ILE CA . 27636 1 15 . 1 1 6 6 ILE CB C 13 38.996 0.3 . 1 . . . . . 6 ILE CB . 27636 1 16 . 1 1 6 6 ILE N N 15 126.685 0.3 . 1 . . . . . 6 ILE N . 27636 1 17 . 1 1 7 7 HIS H H 1 8.973 0.020 . 1 . . . . . 7 HIS H . 27636 1 18 . 1 1 7 7 HIS CA C 13 55.640 0.3 . 1 . . . . . 7 HIS CA . 27636 1 19 . 1 1 7 7 HIS CB C 13 29.700 0.3 . 1 . . . . . 7 HIS CB . 27636 1 20 . 1 1 7 7 HIS N N 15 126.714 0.3 . 1 . . . . . 7 HIS N . 27636 1 21 . 1 1 8 8 LEU H H 1 8.714 0.020 . 1 . . . . . 8 LEU H . 27636 1 22 . 1 1 8 8 LEU CA C 13 53.887 0.3 . 1 . . . . . 8 LEU CA . 27636 1 23 . 1 1 8 8 LEU CB C 13 45.742 0.3 . 1 . . . . . 8 LEU CB . 27636 1 24 . 1 1 8 8 LEU N N 15 125.072 0.3 . 1 . . . . . 8 LEU N . 27636 1 25 . 1 1 9 9 THR H H 1 8.104 0.020 . 1 . . . . . 9 THR H . 27636 1 26 . 1 1 9 9 THR CA C 13 58.827 0.3 . 1 . . . . . 9 THR CA . 27636 1 27 . 1 1 9 9 THR CB C 13 72.790 0.3 . 1 . . . . . 9 THR CB . 27636 1 28 . 1 1 9 9 THR N N 15 108.138 0.3 . 1 . . . . . 9 THR N . 27636 1 29 . 1 1 10 10 ASP H H 1 8.163 0.020 . 1 . . . . . 10 ASP H . 27636 1 30 . 1 1 10 10 ASP CA C 13 58.057 0.3 . 1 . . . . . 10 ASP CA . 27636 1 31 . 1 1 10 10 ASP CB C 13 40.324 0.3 . 1 . . . . . 10 ASP CB . 27636 1 32 . 1 1 10 10 ASP N N 15 119.648 0.3 . 1 . . . . . 10 ASP N . 27636 1 33 . 1 1 11 11 ASP H H 1 8.229 0.020 . 1 . . . . . 11 ASP H . 27636 1 34 . 1 1 11 11 ASP CA C 13 56.304 0.3 . 1 . . . . . 11 ASP CA . 27636 1 35 . 1 1 11 11 ASP N N 15 116.307 0.3 . 1 . . . . . 11 ASP N . 27636 1 36 . 1 1 12 12 SER H H 1 8.233 0.020 . 1 . . . . . 12 SER H . 27636 1 37 . 1 1 12 12 SER CA C 13 59.226 0.3 . 1 . . . . . 12 SER CA . 27636 1 38 . 1 1 12 12 SER N N 15 117.728 0.3 . 1 . . . . . 12 SER N . 27636 1 39 . 1 1 13 13 PHE H H 1 7.646 0.020 . 1 . . . . . 13 PHE H . 27636 1 40 . 1 1 13 13 PHE CA C 13 63.422 0.3 . 1 . . . . . 13 PHE CA . 27636 1 41 . 1 1 13 13 PHE CB C 13 40.590 0.3 . 1 . . . . . 13 PHE CB . 27636 1 42 . 1 1 13 13 PHE N N 15 125.187 0.3 . 1 . . . . . 13 PHE N . 27636 1 43 . 1 1 14 14 ASP H H 1 8.788 0.020 . 1 . . . . . 14 ASP H . 27636 1 44 . 1 1 14 14 ASP CA C 13 58.057 0.3 . 1 . . . . . 14 ASP CA . 27636 1 45 . 1 1 14 14 ASP CB C 13 40.590 0.3 . 1 . . . . . 14 ASP CB . 27636 1 46 . 1 1 14 14 ASP N N 15 117.469 0.3 . 1 . . . . . 14 ASP N . 27636 1 47 . 1 1 15 15 THR H H 1 7.826 0.020 . 1 . . . . . 15 THR H . 27636 1 48 . 1 1 15 15 THR CA C 13 65.812 0.3 . 1 . . . . . 15 THR CA . 27636 1 49 . 1 1 15 15 THR CB C 13 69.062 0.3 . 1 . . . . . 15 THR CB . 27636 1 50 . 1 1 15 15 THR N N 15 112.602 0.3 . 1 . . . . . 15 THR N . 27636 1 51 . 1 1 16 16 ASP H H 1 8.424 0.020 . 1 . . . . . 16 ASP H . 27636 1 52 . 1 1 16 16 ASP CA C 13 56.410 0.3 . 1 . . . . . 16 ASP CA . 27636 1 53 . 1 1 16 16 ASP CB C 13 41.546 0.3 . 1 . . . . . 16 ASP CB . 27636 1 54 . 1 1 16 16 ASP N N 15 118.541 0.3 . 1 . . . . . 16 ASP N . 27636 1 55 . 1 1 17 17 VAL H H 1 7.586 0.020 . 1 . . . . . 17 VAL H . 27636 1 56 . 1 1 17 17 VAL CA C 13 63.183 0.3 . 1 . . . . . 17 VAL CA . 27636 1 57 . 1 1 17 17 VAL CB C 13 32.250 0.3 . 1 . . . . . 17 VAL CB . 27636 1 58 . 1 1 17 17 VAL N N 15 112.919 0.3 . 1 . . . . . 17 VAL N . 27636 1 59 . 1 1 18 18 LEU H H 1 6.958 0.020 . 1 . . . . . 18 LEU H . 27636 1 60 . 1 1 18 18 LEU CA C 13 58.084 0.3 . 1 . . . . . 18 LEU CA . 27636 1 61 . 1 1 18 18 LEU CB C 13 39.368 0.3 . 1 . . . . . 18 LEU CB . 27636 1 62 . 1 1 18 18 LEU N N 15 116.288 0.3 . 1 . . . . . 18 LEU N . 27636 1 63 . 1 1 19 19 LYS H H 1 7.420 0.020 . 1 . . . . . 19 LYS H . 27636 1 64 . 1 1 19 19 LYS CA C 13 54.870 0.3 . 1 . . . . . 19 LYS CA . 27636 1 65 . 1 1 19 19 LYS CB C 13 31.931 0.3 . 1 . . . . . 19 LYS CB . 27636 1 66 . 1 1 19 19 LYS N N 15 115.165 0.3 . 1 . . . . . 19 LYS N . 27636 1 67 . 1 1 20 20 ALA H H 1 6.588 0.020 . 1 . . . . . 20 ALA H . 27636 1 68 . 1 1 20 20 ALA CA C 13 52.161 0.3 . 1 . . . . . 20 ALA CA . 27636 1 69 . 1 1 20 20 ALA CB C 13 20.192 0.3 . 1 . . . . . 20 ALA CB . 27636 1 70 . 1 1 20 20 ALA N N 15 122.308 0.3 . 1 . . . . . 20 ALA N . 27636 1 71 . 1 1 21 21 ASP H H 1 8.563 0.020 . 1 . . . . . 21 ASP H . 27636 1 72 . 1 1 21 21 ASP CA C 13 54.179 0.3 . 1 . . . . . 21 ASP CA . 27636 1 73 . 1 1 21 21 ASP CB C 13 41.865 0.3 . 1 . . . . . 21 ASP CB . 27636 1 74 . 1 1 21 21 ASP N N 15 121.394 0.3 . 1 . . . . . 21 ASP N . 27636 1 75 . 1 1 22 22 GLY H H 1 8.178 0.020 . 1 . . . . . 22 GLY H . 27636 1 76 . 1 1 22 22 GLY CA C 13 44.299 0.3 . 1 . . . . . 22 GLY CA . 27636 1 77 . 1 1 22 22 GLY N N 15 108.628 0.3 . 1 . . . . . 22 GLY N . 27636 1 78 . 1 1 23 23 ALA H H 1 8.515 0.020 . 1 . . . . . 23 ALA H . 27636 1 79 . 1 1 23 23 ALA CA C 13 51.603 0.3 . 1 . . . . . 23 ALA CA . 27636 1 80 . 1 1 23 23 ALA CB C 13 19.979 0.3 . 1 . . . . . 23 ALA CB . 27636 1 81 . 1 1 23 23 ALA N N 15 123.258 0.3 . 1 . . . . . 23 ALA N . 27636 1 82 . 1 1 24 24 ILE H H 1 8.982 0.020 . 1 . . . . . 24 ILE H . 27636 1 83 . 1 1 24 24 ILE CA C 13 58.774 0.3 . 1 . . . . . 24 ILE CA . 27636 1 84 . 1 1 24 24 ILE CB C 13 40.855 0.3 . 1 . . . . . 24 ILE CB . 27636 1 85 . 1 1 24 24 ILE N N 15 123.834 0.3 . 1 . . . . . 24 ILE N . 27636 1 86 . 1 1 25 25 LEU H H 1 9.269 0.020 . 1 . . . . . 25 LEU H . 27636 1 87 . 1 1 25 25 LEU CA C 13 52.905 0.3 . 1 . . . . . 25 LEU CA . 27636 1 88 . 1 1 25 25 LEU CB C 13 45.105 0.3 . 1 . . . . . 25 LEU CB . 27636 1 89 . 1 1 25 25 LEU N N 15 130.349 0.3 . 1 . . . . . 25 LEU N . 27636 1 90 . 1 1 26 26 VAL H H 1 9.749 0.020 . 1 . . . . . 26 VAL H . 27636 1 91 . 1 1 26 26 VAL CA C 13 61.457 0.3 . 1 . . . . . 26 VAL CA . 27636 1 92 . 1 1 26 26 VAL CB C 13 33.578 0.3 . 1 . . . . . 26 VAL CB . 27636 1 93 . 1 1 26 26 VAL N N 15 126.599 0.3 . 1 . . . . . 26 VAL N . 27636 1 94 . 1 1 27 27 ASP H H 1 8.834 0.020 . 1 . . . . . 27 ASP H . 27636 1 95 . 1 1 27 27 ASP CA C 13 51.470 0.3 . 1 . . . . . 27 ASP CA . 27636 1 96 . 1 1 27 27 ASP CB C 13 39.315 0.3 . 1 . . . . . 27 ASP CB . 27636 1 97 . 1 1 27 27 ASP N N 15 124.237 0.3 . 1 . . . . . 27 ASP N . 27636 1 98 . 1 1 28 28 PHE H H 1 9.305 0.020 . 1 . . . . . 28 PHE H . 27636 1 99 . 1 1 28 28 PHE CA C 13 58.296 0.3 . 1 . . . . . 28 PHE CA . 27636 1 100 . 1 1 28 28 PHE CB C 13 39.262 0.3 . 1 . . . . . 28 PHE CB . 27636 1 101 . 1 1 28 28 PHE N N 15 128.874 0.3 . 1 . . . . . 28 PHE N . 27636 1 102 . 1 1 29 29 TRP H H 1 8.474 0.020 . 1 . . . . . 29 TRP H . 27636 1 103 . 1 1 29 29 TRP CA C 13 54.817 0.3 . 1 . . . . . 29 TRP CA . 27636 1 104 . 1 1 29 29 TRP N N 15 120.269 0.3 . 1 . . . . . 29 TRP N . 27636 1 105 . 1 1 30 30 ALA H H 1 6.911 0.020 . 1 . . . . . 30 ALA H . 27636 1 106 . 1 1 30 30 ALA CA C 13 51.258 0.3 . 1 . . . . . 30 ALA CA . 27636 1 107 . 1 1 30 30 ALA CB C 13 21.891 0.3 . 1 . . . . . 30 ALA CB . 27636 1 108 . 1 1 30 30 ALA N N 15 116.519 0.3 . 1 . . . . . 30 ALA N . 27636 1 109 . 1 1 31 31 GLU H H 1 9.107 0.020 . 1 . . . . . 31 GLU H . 27636 1 110 . 1 1 31 31 GLU CA C 13 58.907 0.3 . 1 . . . . . 31 GLU CA . 27636 1 111 . 1 1 31 31 GLU CB C 13 29.859 0.3 . 1 . . . . . 31 GLU CB . 27636 1 112 . 1 1 31 31 GLU N N 15 120.868 0.3 . 1 . . . . . 31 GLU N . 27636 1 113 . 1 1 32 32 TRP H H 1 6.569 0.020 . 1 . . . . . 32 TRP H . 27636 1 114 . 1 1 32 32 TRP CA C 13 54.153 0.3 . 1 . . . . . 32 TRP CA . 27636 1 115 . 1 1 32 32 TRP CB C 13 28.744 0.3 . 1 . . . . . 32 TRP CB . 27636 1 116 . 1 1 32 32 TRP N N 15 110.471 0.3 . 1 . . . . . 32 TRP N . 27636 1 117 . 1 1 33 33 SER H H 1 6.666 0.020 . 1 . . . . . 33 SER H . 27636 1 118 . 1 1 33 33 SER CA C 13 55.507 0.3 . 1 . . . . . 33 SER CA . 27636 1 119 . 1 1 33 33 SER CB C 13 61.749 0.3 . 1 . . . . . 33 SER CB . 27636 1 120 . 1 1 33 33 SER N N 15 115.223 0.3 . 1 . . . . . 33 SER N . 27636 1 121 . 1 1 34 34 GLY H H 1 9.592 0.020 . 1 . . . . . 34 GLY H . 27636 1 122 . 1 1 34 34 GLY CA C 13 48.496 0.3 . 1 . . . . . 34 GLY CA . 27636 1 123 . 1 1 34 34 GLY N N 15 120.378 0.3 . 1 . . . . . 34 GLY N . 27636 1 124 . 1 1 36 36 SER H H 1 7.762 0.020 . 1 . . . . . 36 SER H . 27636 1 125 . 1 1 36 36 SER CA C 13 62.997 0.3 . 1 . . . . . 36 SER CA . 27636 1 126 . 1 1 36 36 SER N N 15 112.890 0.3 . 1 . . . . . 36 SER N . 27636 1 127 . 1 1 37 37 LYS H H 1 7.868 0.020 . 1 . . . . . 37 LYS H . 27636 1 128 . 1 1 37 37 LYS CA C 13 59.093 0.3 . 1 . . . . . 37 LYS CA . 27636 1 129 . 1 1 37 37 LYS CB C 13 31.347 0.3 . 1 . . . . . 37 LYS CB . 27636 1 130 . 1 1 37 37 LYS N N 15 123.575 0.3 . 1 . . . . . 37 LYS N . 27636 1 131 . 1 1 38 38 MET H H 1 8.084 0.020 . 1 . . . . . 38 MET H . 27636 1 132 . 1 1 38 38 MET CA C 13 58.216 0.3 . 1 . . . . . 38 MET CA . 27636 1 133 . 1 1 38 38 MET CB C 13 32.462 0.3 . 1 . . . . . 38 MET CB . 27636 1 134 . 1 1 38 38 MET N N 15 118.578 0.3 . 1 . . . . . 38 MET N . 27636 1 135 . 1 1 39 39 ILE H H 1 7.179 0.020 . 1 . . . . . 39 ILE H . 27636 1 136 . 1 1 39 39 ILE CA C 13 61.749 0.3 . 1 . . . . . 39 ILE CA . 27636 1 137 . 1 1 39 39 ILE CB C 13 39.315 0.3 . 1 . . . . . 39 ILE CB . 27636 1 138 . 1 1 39 39 ILE N N 15 108.455 0.3 . 1 . . . . . 39 ILE N . 27636 1 139 . 1 1 40 40 ALA H H 1 7.212 0.020 . 1 . . . . . 40 ALA H . 27636 1 140 . 1 1 40 40 ALA CA C 13 57.393 0.3 . 1 . . . . . 40 ALA CA . 27636 1 141 . 1 1 40 40 ALA CB C 13 15.029 0.3 . 1 . . . . . 40 ALA CB . 27636 1 142 . 1 1 40 40 ALA N N 15 125.562 0.3 . 1 . . . . . 40 ALA N . 27636 1 143 . 1 1 42 42 ILE H H 1 6.579 0.020 . 1 . . . . . 42 ILE H . 27636 1 144 . 1 1 42 42 ILE CA C 13 64.378 0.3 . 1 . . . . . 42 ILE CA . 27636 1 145 . 1 1 42 42 ILE CB C 13 37.827 0.3 . 1 . . . . . 42 ILE CB . 27636 1 146 . 1 1 42 42 ILE N N 15 116.692 0.3 . 1 . . . . . 42 ILE N . 27636 1 147 . 1 1 43 43 LEU H H 1 7.923 0.020 . 1 . . . . . 43 LEU H . 27636 1 148 . 1 1 43 43 LEU CA C 13 57.712 0.3 . 1 . . . . . 43 LEU CA . 27636 1 149 . 1 1 43 43 LEU CB C 13 40.754 0.3 . 1 . . . . . 43 LEU CB . 27636 1 150 . 1 1 43 43 LEU N N 15 119.629 0.3 . 1 . . . . . 43 LEU N . 27636 1 151 . 1 1 44 44 ASP H H 1 7.281 0.020 . 1 . . . . . 44 ASP H . 27636 1 152 . 1 1 44 44 ASP CA C 13 58.004 0.3 . 1 . . . . . 44 ASP CA . 27636 1 153 . 1 1 44 44 ASP CB C 13 40.430 0.3 . 1 . . . . . 44 ASP CB . 27636 1 154 . 1 1 44 44 ASP N N 15 118.333 0.3 . 1 . . . . . 44 ASP N . 27636 1 155 . 1 1 45 45 GLU H H 1 7.203 0.020 . 1 . . . . . 45 GLU H . 27636 1 156 . 1 1 45 45 GLU CA C 13 59.358 0.3 . 1 . . . . . 45 GLU CA . 27636 1 157 . 1 1 45 45 GLU CB C 13 29.381 0.3 . 1 . . . . . 45 GLU CB . 27636 1 158 . 1 1 45 45 GLU N N 15 118.045 0.3 . 1 . . . . . 45 GLU N . 27636 1 159 . 1 1 47 47 ALA H H 1 8.608 0.020 . 1 . . . . . 47 ALA H . 27636 1 160 . 1 1 47 47 ALA CA C 13 55.082 0.3 . 1 . . . . . 47 ALA CA . 27636 1 161 . 1 1 47 47 ALA CB C 13 18.014 0.3 . 1 . . . . . 47 ALA CB . 27636 1 162 . 1 1 47 47 ALA N N 15 122.221 0.3 . 1 . . . . . 47 ALA N . 27636 1 163 . 1 1 48 48 ASP H H 1 7.096 0.020 . 1 . . . . . 48 ASP H . 27636 1 164 . 1 1 48 48 ASP CA C 13 56.942 0.3 . 1 . . . . . 48 ASP CA . 27636 1 165 . 1 1 48 48 ASP CB C 13 41.121 0.3 . 1 . . . . . 48 ASP CB . 27636 1 166 . 1 1 48 48 ASP N N 15 114.964 0.3 . 1 . . . . . 48 ASP N . 27636 1 167 . 1 1 49 49 GLU H H 1 8.552 0.020 . 1 . . . . . 49 GLU H . 27636 1 168 . 1 1 49 49 GLU CA C 13 59.173 0.3 . 1 . . . . . 49 GLU CA . 27636 1 169 . 1 1 49 49 GLU CB C 13 30.019 0.3 . 1 . . . . . 49 GLU CB . 27636 1 170 . 1 1 49 49 GLU N N 15 120.568 0.3 . 1 . . . . . 49 GLU N . 27636 1 171 . 1 1 50 50 TYR H H 1 8.765 0.020 . 1 . . . . . 50 TYR H . 27636 1 172 . 1 1 50 50 TYR CA C 13 58.243 0.3 . 1 . . . . . 50 TYR CA . 27636 1 173 . 1 1 50 50 TYR CB C 13 37.031 0.3 . 1 . . . . . 50 TYR CB . 27636 1 174 . 1 1 50 50 TYR N N 15 115.367 0.3 . 1 . . . . . 50 TYR N . 27636 1 175 . 1 1 51 51 GLN H H 1 7.087 0.020 . 1 . . . . . 51 GLN H . 27636 1 176 . 1 1 51 51 GLN CA C 13 58.482 0.3 . 1 . . . . . 51 GLN CA . 27636 1 177 . 1 1 51 51 GLN CB C 13 28.585 0.3 . 1 . . . . . 51 GLN CB . 27636 1 178 . 1 1 51 51 GLN N N 15 121.386 0.3 . 1 . . . . . 51 GLN N . 27636 1 179 . 1 1 52 52 GLY H H 1 9.287 0.020 . 1 . . . . . 52 GLY H . 27636 1 180 . 1 1 52 52 GLY CA C 13 45.548 0.3 . 1 . . . . . 52 GLY CA . 27636 1 181 . 1 1 52 52 GLY N N 15 115.568 0.3 . 1 . . . . . 52 GLY N . 27636 1 182 . 1 1 53 53 LYS H H 1 8.215 0.020 . 1 . . . . . 53 LYS H . 27636 1 183 . 1 1 53 53 LYS CA C 13 56.410 0.3 . 1 . . . . . 53 LYS CA . 27636 1 184 . 1 1 53 53 LYS CB C 13 34.971 0.3 . 1 . . . . . 53 LYS CB . 27636 1 185 . 1 1 53 53 LYS N N 15 117.815 0.3 . 1 . . . . . 53 LYS N . 27636 1 186 . 1 1 54 54 LEU H H 1 7.849 0.020 . 1 . . . . . 54 LEU H . 27636 1 187 . 1 1 54 54 LEU CA C 13 54.312 0.3 . 1 . . . . . 54 LEU CA . 27636 1 188 . 1 1 54 54 LEU CB C 13 47.070 0.3 . 1 . . . . . 54 LEU CB . 27636 1 189 . 1 1 54 54 LEU N N 15 119.276 0.3 . 1 . . . . . 54 LEU N . 27636 1 190 . 1 1 55 55 THR H H 1 8.095 0.020 . 1 . . . . . 55 THR H . 27636 1 191 . 1 1 55 55 THR CA C 13 61.961 0.3 . 1 . . . . . 55 THR CA . 27636 1 192 . 1 1 55 55 THR CB C 13 70.390 0.3 . 1 . . . . . 55 THR CB . 27636 1 193 . 1 1 55 55 THR N N 15 123.120 0.3 . 1 . . . . . 55 THR N . 27636 1 194 . 1 1 56 56 VAL H H 1 9.962 0.020 . 1 . . . . . 56 VAL H . 27636 1 195 . 1 1 56 56 VAL CA C 13 61.908 0.3 . 1 . . . . . 56 VAL CA . 27636 1 196 . 1 1 56 56 VAL CB C 13 32.462 0.3 . 1 . . . . . 56 VAL CB . 27636 1 197 . 1 1 56 56 VAL N N 15 129.730 0.3 . 1 . . . . . 56 VAL N . 27636 1 198 . 1 1 57 57 ALA H H 1 9.315 0.020 . 1 . . . . . 57 ALA H . 27636 1 199 . 1 1 57 57 ALA CA C 13 49.399 0.3 . 1 . . . . . 57 ALA CA . 27636 1 200 . 1 1 57 57 ALA CB C 13 23.804 0.3 . 1 . . . . . 57 ALA CB . 27636 1 201 . 1 1 57 57 ALA N N 15 129.392 0.3 . 1 . . . . . 57 ALA N . 27636 1 202 . 1 1 58 58 LYS H H 1 8.658 0.020 . 1 . . . . . 58 LYS H . 27636 1 203 . 1 1 58 58 LYS CA C 13 55.003 0.3 . 1 . . . . . 58 LYS CA . 27636 1 204 . 1 1 58 58 LYS CB C 13 37.296 0.3 . 1 . . . . . 58 LYS CB . 27636 1 205 . 1 1 58 58 LYS N N 15 118.160 0.3 . 1 . . . . . 58 LYS N . 27636 1 206 . 1 1 59 59 LEU H H 1 8.963 0.020 . 1 . . . . . 59 LEU H . 27636 1 207 . 1 1 59 59 LEU CA C 13 54.073 0.3 . 1 . . . . . 59 LEU CA . 27636 1 208 . 1 1 59 59 LEU CB C 13 44.414 0.3 . 1 . . . . . 59 LEU CB . 27636 1 209 . 1 1 59 59 LEU N N 15 123.604 0.3 . 1 . . . . . 59 LEU N . 27636 1 210 . 1 1 60 60 ASN H H 1 8.973 0.020 . 1 . . . . . 60 ASN H . 27636 1 211 . 1 1 60 60 ASN CA C 13 51.948 0.3 . 1 . . . . . 60 ASN CA . 27636 1 212 . 1 1 60 60 ASN CB C 13 38.146 0.3 . 1 . . . . . 60 ASN CB . 27636 1 213 . 1 1 60 60 ASN N N 15 126.282 0.3 . 1 . . . . . 60 ASN N . 27636 1 214 . 1 1 61 61 ILE H H 1 8.500 0.020 . 1 . . . . . 61 ILE H . 27636 1 215 . 1 1 61 61 ILE CA C 13 63.509 0.3 . 1 . . . . . 61 ILE CA . 27636 1 216 . 1 1 61 61 ILE CB C 13 37.915 0.3 . 1 . . . . . 61 ILE CB . 27636 1 217 . 1 1 61 61 ILE N N 15 122.522 0.3 . 1 . . . . . 61 ILE N . 27636 1 218 . 1 1 62 62 ASP H H 1 7.683 0.020 . 1 . . . . . 62 ASP H . 27636 1 219 . 1 1 62 62 ASP CA C 13 56.525 0.3 . 1 . . . . . 62 ASP CA . 27636 1 220 . 1 1 62 62 ASP CB C 13 40.596 0.3 . 1 . . . . . 62 ASP CB . 27636 1 221 . 1 1 62 62 ASP N N 15 121.501 0.3 . 1 . . . . . 62 ASP N . 27636 1 222 . 1 1 63 63 GLN H H 1 7.215 0.020 . 1 . . . . . 63 GLN H . 27636 1 223 . 1 1 63 63 GLN CA C 13 56.145 0.3 . 1 . . . . . 63 GLN CA . 27636 1 224 . 1 1 63 63 GLN CB C 13 30.284 0.3 . 1 . . . . . 63 GLN CB . 27636 1 225 . 1 1 63 63 GLN N N 15 115.981 0.3 . 1 . . . . . 63 GLN N . 27636 1 226 . 1 1 64 64 ASN H H 1 7.327 0.020 . 1 . . . . . 64 ASN H . 27636 1 227 . 1 1 64 64 ASN CA C 13 51.709 0.3 . 1 . . . . . 64 ASN CA . 27636 1 228 . 1 1 64 64 ASN CB C 13 40.962 0.3 . 1 . . . . . 64 ASN CB . 27636 1 229 . 1 1 64 64 ASN N N 15 116.173 0.3 . 1 . . . . . 64 ASN N . 27636 1 230 . 1 1 66 66 GLY H H 1 10.267 0.020 . 1 . . . . . 66 GLY H . 27636 1 231 . 1 1 66 66 GLY CA C 13 46.291 0.3 . 1 . . . . . 66 GLY CA . 27636 1 232 . 1 1 66 66 GLY N N 15 112.487 0.3 . 1 . . . . . 66 GLY N . 27636 1 233 . 1 1 70 70 LYS H H 1 7.415 0.020 . 1 . . . . . 70 LYS H . 27636 1 234 . 1 1 70 70 LYS CA C 13 58.695 0.3 . 1 . . . . . 70 LYS CA . 27636 1 235 . 1 1 70 70 LYS CB C 13 31.825 0.3 . 1 . . . . . 70 LYS CB . 27636 1 236 . 1 1 70 70 LYS N N 15 116.605 0.3 . 1 . . . . . 70 LYS N . 27636 1 237 . 1 1 71 71 TYR H H 1 7.323 0.020 . 1 . . . . . 71 TYR H . 27636 1 238 . 1 1 71 71 TYR CA C 13 58.243 0.3 . 1 . . . . . 71 TYR CA . 27636 1 239 . 1 1 71 71 TYR CB C 13 39.474 0.3 . 1 . . . . . 71 TYR CB . 27636 1 240 . 1 1 71 71 TYR N N 15 114.532 0.3 . 1 . . . . . 71 TYR N . 27636 1 241 . 1 1 72 72 GLY H H 1 7.489 0.020 . 1 . . . . . 72 GLY H . 27636 1 242 . 1 1 72 72 GLY CA C 13 46.822 0.3 . 1 . . . . . 72 GLY CA . 27636 1 243 . 1 1 72 72 GLY N N 15 108.081 0.3 . 1 . . . . . 72 GLY N . 27636 1 244 . 1 1 73 73 ILE H H 1 6.985 0.020 . 1 . . . . . 73 ILE H . 27636 1 245 . 1 1 73 73 ILE CA C 13 61.218 0.3 . 1 . . . . . 73 ILE CA . 27636 1 246 . 1 1 73 73 ILE CB C 13 36.181 0.3 . 1 . . . . . 73 ILE CB . 27636 1 247 . 1 1 73 73 ILE N N 15 118.621 0.3 . 1 . . . . . 73 ILE N . 27636 1 248 . 1 1 74 74 ARG H H 1 8.732 0.020 . 1 . . . . . 74 ARG H . 27636 1 249 . 1 1 74 74 ARG CA C 13 55.720 0.3 . 1 . . . . . 74 ARG CA . 27636 1 250 . 1 1 74 74 ARG CB C 13 31.878 0.3 . 1 . . . . . 74 ARG CB . 27636 1 251 . 1 1 74 74 ARG N N 15 127.607 0.3 . 1 . . . . . 74 ARG N . 27636 1 252 . 1 1 75 75 GLY H H 1 7.766 0.020 . 1 . . . . . 75 GLY H . 27636 1 253 . 1 1 75 75 GLY CA C 13 44.698 0.3 . 1 . . . . . 75 GLY CA . 27636 1 254 . 1 1 75 75 GLY N N 15 108.340 0.3 . 1 . . . . . 75 GLY N . 27636 1 255 . 1 1 76 76 ILE H H 1 8.407 0.020 . 1 . . . . . 76 ILE H . 27636 1 256 . 1 1 76 76 ILE CA C 13 56.065 0.3 . 1 . . . . . 76 ILE CA . 27636 1 257 . 1 1 76 76 ILE CB C 13 40.005 0.3 . 1 . . . . . 76 ILE CB . 27636 1 258 . 1 1 76 76 ILE N N 15 118.278 0.3 . 1 . . . . . 76 ILE N . 27636 1 259 . 1 1 78 78 THR H H 1 8.094 0.020 . 1 . . . . . 78 THR H . 27636 1 260 . 1 1 78 78 THR CA C 13 63.900 0.3 . 1 . . . . . 78 THR CA . 27636 1 261 . 1 1 78 78 THR CB C 13 72.949 0.3 . 1 . . . . . 78 THR CB . 27636 1 262 . 1 1 78 78 THR N N 15 116.116 0.3 . 1 . . . . . 78 THR N . 27636 1 263 . 1 1 79 79 LEU H H 1 9.324 0.020 . 1 . . . . . 79 LEU H . 27636 1 264 . 1 1 79 79 LEU CA C 13 52.745 0.3 . 1 . . . . . 79 LEU CA . 27636 1 265 . 1 1 79 79 LEU CB C 13 43.033 0.3 . 1 . . . . . 79 LEU CB . 27636 1 266 . 1 1 79 79 LEU N N 15 126.829 0.3 . 1 . . . . . 79 LEU N . 27636 1 267 . 1 1 80 80 LEU H H 1 9.134 0.020 . 1 . . . . . 80 LEU H . 27636 1 268 . 1 1 80 80 LEU CA C 13 53.276 0.3 . 1 . . . . . 80 LEU CA . 27636 1 269 . 1 1 80 80 LEU CB C 13 45.795 0.3 . 1 . . . . . 80 LEU CB . 27636 1 270 . 1 1 80 80 LEU N N 15 121.703 0.3 . 1 . . . . . 80 LEU N . 27636 1 271 . 1 1 81 81 LEU H H 1 8.829 0.020 . 1 . . . . . 81 LEU H . 27636 1 272 . 1 1 81 81 LEU CA C 13 53.144 0.3 . 1 . . . . . 81 LEU CA . 27636 1 273 . 1 1 81 81 LEU CB C 13 44.308 0.3 . 1 . . . . . 81 LEU CB . 27636 1 274 . 1 1 81 81 LEU N N 15 125.159 0.3 . 1 . . . . . 81 LEU N . 27636 1 275 . 1 1 82 82 PHE H H 1 9.978 0.020 . 1 . . . . . 82 PHE H . 27636 1 276 . 1 1 82 82 PHE CA C 13 57.287 0.3 . 1 . . . . . 82 PHE CA . 27636 1 277 . 1 1 82 82 PHE CB C 13 41.918 0.3 . 1 . . . . . 82 PHE CB . 27636 1 278 . 1 1 82 82 PHE N N 15 128.343 0.3 . 1 . . . . . 82 PHE N . 27636 1 279 . 1 1 83 83 LYS H H 1 8.769 0.020 . 1 . . . . . 83 LYS H . 27636 1 280 . 1 1 83 83 LYS CA C 13 56.251 0.3 . 1 . . . . . 83 LYS CA . 27636 1 281 . 1 1 83 83 LYS CB C 13 36.181 0.3 . 1 . . . . . 83 LYS CB . 27636 1 282 . 1 1 83 83 LYS N N 15 116.893 0.3 . 1 . . . . . 83 LYS N . 27636 1 283 . 1 1 84 84 ASN H H 1 9.449 0.020 . 1 . . . . . 84 ASN H . 27636 1 284 . 1 1 84 84 ASN CA C 13 54.312 0.3 . 1 . . . . . 84 ASN CA . 27636 1 285 . 1 1 84 84 ASN CB C 13 37.456 0.3 . 1 . . . . . 84 ASN CB . 27636 1 286 . 1 1 84 84 ASN N N 15 124.179 0.3 . 1 . . . . . 84 ASN N . 27636 1 287 . 1 1 85 85 GLY H H 1 9.647 0.020 . 1 . . . . . 85 GLY H . 27636 1 288 . 1 1 85 85 GLY CA C 13 46.397 0.3 . 1 . . . . . 85 GLY CA . 27636 1 289 . 1 1 85 85 GLY N N 15 104.365 0.3 . 1 . . . . . 85 GLY N . 27636 1 290 . 1 1 86 86 GLU H H 1 7.842 0.020 . 1 . . . . . 86 GLU H . 27636 1 291 . 1 1 86 86 GLU CA C 13 53.967 0.3 . 1 . . . . . 86 GLU CA . 27636 1 292 . 1 1 86 86 GLU CB C 13 33.100 0.3 . 1 . . . . . 86 GLU CB . 27636 1 293 . 1 1 86 86 GLU N N 15 118.620 0.3 . 1 . . . . . 86 GLU N . 27636 1 294 . 1 1 87 87 VAL H H 1 8.829 0.020 . 1 . . . . . 87 VAL H . 27636 1 295 . 1 1 87 87 VAL CA C 13 64.378 0.3 . 1 . . . . . 87 VAL CA . 27636 1 296 . 1 1 87 87 VAL CB C 13 31.506 0.3 . 1 . . . . . 87 VAL CB . 27636 1 297 . 1 1 87 87 VAL N N 15 122.826 0.3 . 1 . . . . . 87 VAL N . 27636 1 298 . 1 1 88 88 ALA H H 1 9.707 0.020 . 1 . . . . . 88 ALA H . 27636 1 299 . 1 1 88 88 ALA CA C 13 52.506 0.3 . 1 . . . . . 88 ALA CA . 27636 1 300 . 1 1 88 88 ALA CB C 13 20.245 0.3 . 1 . . . . . 88 ALA CB . 27636 1 301 . 1 1 88 88 ALA N N 15 133.108 0.3 . 1 . . . . . 88 ALA N . 27636 1 302 . 1 1 89 89 ALA H H 1 7.660 0.020 . 1 . . . . . 89 ALA H . 27636 1 303 . 1 1 89 89 ALA CA C 13 52.426 0.3 . 1 . . . . . 89 ALA CA . 27636 1 304 . 1 1 89 89 ALA CB C 13 22.210 0.3 . 1 . . . . . 89 ALA CB . 27636 1 305 . 1 1 89 89 ALA N N 15 117.412 0.3 . 1 . . . . . 89 ALA N . 27636 1 306 . 1 1 90 90 THR H H 1 8.524 0.020 . 1 . . . . . 90 THR H . 27636 1 307 . 1 1 90 90 THR CA C 13 61.829 0.3 . 1 . . . . . 90 THR CA . 27636 1 308 . 1 1 90 90 THR CB C 13 72.365 0.3 . 1 . . . . . 90 THR CB . 27636 1 309 . 1 1 90 90 THR N N 15 115.424 0.3 . 1 . . . . . 90 THR N . 27636 1 310 . 1 1 91 91 LYS H H 1 9.070 0.020 . 1 . . . . . 91 LYS H . 27636 1 311 . 1 1 91 91 LYS CA C 13 54.392 0.3 . 1 . . . . . 91 LYS CA . 27636 1 312 . 1 1 91 91 LYS CB C 13 34.640 0.3 . 1 . . . . . 91 LYS CB . 27636 1 313 . 1 1 91 91 LYS N N 15 126.397 0.3 . 1 . . . . . 91 LYS N . 27636 1 314 . 1 1 92 92 VAL H H 1 8.649 0.020 . 1 . . . . . 92 VAL H . 27636 1 315 . 1 1 92 92 VAL CA C 13 61.855 0.3 . 1 . . . . . 92 VAL CA . 27636 1 316 . 1 1 92 92 VAL CB C 13 33.656 0.3 . 1 . . . . . 92 VAL CB . 27636 1 317 . 1 1 92 92 VAL N N 15 126.023 0.3 . 1 . . . . . 92 VAL N . 27636 1 318 . 1 1 93 93 GLY H H 1 8.390 0.020 . 1 . . . . . 93 GLY H . 27636 1 319 . 1 1 93 93 GLY CA C 13 43.688 0.3 . 1 . . . . . 93 GLY CA . 27636 1 320 . 1 1 93 93 GLY N N 15 114.359 0.3 . 1 . . . . . 93 GLY N . 27636 1 321 . 1 1 94 94 ALA H H 1 8.205 0.020 . 1 . . . . . 94 ALA H . 27636 1 322 . 1 1 94 94 ALA CA C 13 52.639 0.3 . 1 . . . . . 94 ALA CA . 27636 1 323 . 1 1 94 94 ALA CB C 13 19.129 0.3 . 1 . . . . . 94 ALA CB . 27636 1 324 . 1 1 94 94 ALA N N 15 117.613 0.3 . 1 . . . . . 94 ALA N . 27636 1 325 . 1 1 95 95 LEU H H 1 6.680 0.020 . 1 . . . . . 95 LEU H . 27636 1 326 . 1 1 95 95 LEU CA C 13 54.233 0.3 . 1 . . . . . 95 LEU CA . 27636 1 327 . 1 1 95 95 LEU CB C 13 43.724 0.3 . 1 . . . . . 95 LEU CB . 27636 1 328 . 1 1 95 95 LEU N N 15 119.485 0.3 . 1 . . . . . 95 LEU N . 27636 1 329 . 1 1 96 96 SER H H 1 8.464 0.020 . 1 . . . . . 96 SER H . 27636 1 330 . 1 1 96 96 SER CA C 13 56.357 0.3 . 1 . . . . . 96 SER CA . 27636 1 331 . 1 1 96 96 SER CB C 13 65.875 0.3 . 1 . . . . . 96 SER CB . 27636 1 332 . 1 1 96 96 SER N N 15 114.676 0.3 . 1 . . . . . 96 SER N . 27636 1 333 . 1 1 97 97 LYS H H 1 9.347 0.020 . 1 . . . . . 97 LYS H . 27636 1 334 . 1 1 97 97 LYS CA C 13 60.846 0.3 . 1 . . . . . 97 LYS CA . 27636 1 335 . 1 1 97 97 LYS CB C 13 32.197 0.3 . 1 . . . . . 97 LYS CB . 27636 1 336 . 1 1 97 97 LYS N N 15 121.472 0.3 . 1 . . . . . 97 LYS N . 27636 1 337 . 1 1 98 98 GLY H H 1 8.811 0.020 . 1 . . . . . 98 GLY H . 27636 1 338 . 1 1 98 98 GLY CA C 13 47.035 0.3 . 1 . . . . . 98 GLY CA . 27636 1 339 . 1 1 98 98 GLY N N 15 105.431 0.3 . 1 . . . . . 98 GLY N . 27636 1 340 . 1 1 99 99 GLN H H 1 7.743 0.020 . 1 . . . . . 99 GLN H . 27636 1 341 . 1 1 99 99 GLN CA C 13 58.402 0.3 . 1 . . . . . 99 GLN CA . 27636 1 342 . 1 1 99 99 GLN CB C 13 29.275 0.3 . 1 . . . . . 99 GLN CB . 27636 1 343 . 1 1 99 99 GLN N N 15 120.896 0.3 . 1 . . . . . 99 GLN N . 27636 1 344 . 1 1 100 100 LEU H H 1 8.598 0.020 . 1 . . . . . 100 LEU H . 27636 1 345 . 1 1 100 100 LEU CA C 13 58.084 0.3 . 1 . . . . . 100 LEU CA . 27636 1 346 . 1 1 100 100 LEU CB C 13 40.802 0.3 . 1 . . . . . 100 LEU CB . 27636 1 347 . 1 1 100 100 LEU N N 15 123.604 0.3 . 1 . . . . . 100 LEU N . 27636 1 348 . 1 1 101 101 LYS H H 1 8.755 0.020 . 1 . . . . . 101 LYS H . 27636 1 349 . 1 1 101 101 LYS CA C 13 60.766 0.3 . 1 . . . . . 101 LYS CA . 27636 1 350 . 1 1 101 101 LYS CB C 13 31.187 0.3 . 1 . . . . . 101 LYS CB . 27636 1 351 . 1 1 101 101 LYS N N 15 119.658 0.3 . 1 . . . . . 101 LYS N . 27636 1 352 . 1 1 102 102 GLU H H 1 7.822 0.020 . 1 . . . . . 102 GLU H . 27636 1 353 . 1 1 102 102 GLU CA C 13 59.730 0.3 . 1 . . . . . 102 GLU CA . 27636 1 354 . 1 1 102 102 GLU CB C 13 29.700 0.3 . 1 . . . . . 102 GLU CB . 27636 1 355 . 1 1 102 102 GLU N N 15 117.728 0.3 . 1 . . . . . 102 GLU N . 27636 1 356 . 1 1 103 103 PHE H H 1 7.655 0.020 . 1 . . . . . 103 PHE H . 27636 1 357 . 1 1 103 103 PHE CA C 13 59.916 0.3 . 1 . . . . . 103 PHE CA . 27636 1 358 . 1 1 103 103 PHE CB C 13 38.890 0.3 . 1 . . . . . 103 PHE CB . 27636 1 359 . 1 1 103 103 PHE N N 15 120.176 0.3 . 1 . . . . . 103 PHE N . 27636 1 360 . 1 1 104 104 LEU H H 1 8.628 0.020 . 1 . . . . . 104 LEU H . 27636 1 361 . 1 1 104 104 LEU CA C 13 57.712 0.3 . 1 . . . . . 104 LEU CA . 27636 1 362 . 1 1 104 104 LEU CB C 13 40.855 0.3 . 1 . . . . . 104 LEU CB . 27636 1 363 . 1 1 104 104 LEU N N 15 121.000 0.3 . 1 . . . . . 104 LEU N . 27636 1 364 . 1 1 105 105 ASP H H 1 9.245 0.020 . 1 . . . . . 105 ASP H . 27636 1 365 . 1 1 105 105 ASP CA C 13 57.473 0.3 . 1 . . . . . 105 ASP CA . 27636 1 366 . 1 1 105 105 ASP CB C 13 39.102 0.3 . 1 . . . . . 105 ASP CB . 27636 1 367 . 1 1 105 105 ASP N N 15 120.176 0.3 . 1 . . . . . 105 ASP N . 27636 1 368 . 1 1 106 106 ALA H H 1 7.595 0.020 . 1 . . . . . 106 ALA H . 27636 1 369 . 1 1 106 106 ALA CA C 13 54.100 0.3 . 1 . . . . . 106 ALA CA . 27636 1 370 . 1 1 106 106 ALA CB C 13 18.704 0.3 . 1 . . . . . 106 ALA CB . 27636 1 371 . 1 1 106 106 ALA N N 15 118.736 0.3 . 1 . . . . . 106 ALA N . 27636 1 372 . 1 1 107 107 ASN H H 1 7.226 0.020 . 1 . . . . . 107 ASN H . 27636 1 373 . 1 1 107 107 ASN CA C 13 54.843 0.3 . 1 . . . . . 107 ASN CA . 27636 1 374 . 1 1 107 107 ASN CB C 13 41.705 0.3 . 1 . . . . . 107 ASN CB . 27636 1 375 . 1 1 107 107 ASN N N 15 112.948 0.3 . 1 . . . . . 107 ASN N . 27636 1 376 . 1 1 108 108 LEU H H 1 8.061 0.020 . 1 . . . . . 108 LEU H . 27636 1 377 . 1 1 108 108 LEU CA C 13 55.454 0.3 . 1 . . . . . 108 LEU CA . 27636 1 378 . 1 1 108 108 LEU CB C 13 41.971 0.3 . 1 . . . . . 108 LEU CB . 27636 1 379 . 1 1 108 108 LEU N N 15 120.437 0.3 . 1 . . . . . 108 LEU N . 27636 1 380 . 1 1 109 109 ALA H H 1 7.762 0.020 . 1 . . . . . 109 ALA H . 27636 1 381 . 1 1 109 109 ALA CA C 13 52.851 0.3 . 1 . . . . . 109 ALA CA . 27636 1 382 . 1 1 109 109 ALA CB C 13 19.023 0.3 . 1 . . . . . 109 ALA CB . 27636 1 383 . 1 1 109 109 ALA N N 15 122.711 0.3 . 1 . . . . . 109 ALA N . 27636 1 384 . 1 1 110 110 GLY H H 1 8.275 0.020 . 1 . . . . . 110 GLY H . 27636 1 385 . 1 1 110 110 GLY CA C 13 45.229 0.3 . 1 . . . . . 110 GLY CA . 27636 1 386 . 1 1 110 110 GLY N N 15 108.081 0.3 . 1 . . . . . 110 GLY N . 27636 1 387 . 1 1 111 111 SER H H 1 8.343 0.020 . 1 . . . . . 111 SER H . 27636 1 388 . 1 1 111 111 SER CA C 13 58.562 0.3 . 1 . . . . . 111 SER CA . 27636 1 389 . 1 1 111 111 SER CB C 13 63.900 0.3 . 1 . . . . . 111 SER CB . 27636 1 390 . 1 1 111 111 SER N N 15 115.623 0.3 . 1 . . . . . 111 SER N . 27636 1 391 . 1 1 112 112 GLY H H 1 8.543 0.020 . 1 . . . . . 112 GLY H . 27636 1 392 . 1 1 112 112 GLY CA C 13 45.388 0.3 . 1 . . . . . 112 GLY CA . 27636 1 393 . 1 1 112 112 GLY N N 15 111.018 0.3 . 1 . . . . . 112 GLY N . 27636 1 394 . 1 1 113 113 SER H H 1 8.358 0.020 . 1 . . . . . 113 SER H . 27636 1 395 . 1 1 113 113 SER CA C 13 58.557 0.3 . 1 . . . . . 113 SER CA . 27636 1 396 . 1 1 113 113 SER CB C 13 63.836 0.3 . 1 . . . . . 113 SER CB . 27636 1 397 . 1 1 113 113 SER N N 15 115.742 0.3 . 1 . . . . . 113 SER N . 27636 1 398 . 1 1 114 114 GLY H H 1 8.574 0.020 . 1 . . . . . 114 GLY H . 27636 1 399 . 1 1 114 114 GLY CA C 13 45.378 0.3 . 1 . . . . . 114 GLY CA . 27636 1 400 . 1 1 114 114 GLY N N 15 111.054 0.3 . 1 . . . . . 114 GLY N . 27636 1 401 . 1 1 115 115 GLU H H 1 8.284 0.020 . 1 . . . . . 115 GLU H . 27636 1 402 . 1 1 115 115 GLU CA C 13 56.596 0.3 . 1 . . . . . 115 GLU CA . 27636 1 403 . 1 1 115 115 GLU CB C 13 30.190 0.3 . 1 . . . . . 115 GLU CB . 27636 1 404 . 1 1 115 115 GLU N N 15 120.682 0.3 . 1 . . . . . 115 GLU N . 27636 1 405 . 1 1 116 116 ARG H H 1 8.421 0.020 . 1 . . . . . 116 ARG H . 27636 1 406 . 1 1 116 116 ARG CA C 13 56.092 0.3 . 1 . . . . . 116 ARG CA . 27636 1 407 . 1 1 116 116 ARG CB C 13 30.444 0.3 . 1 . . . . . 116 ARG CB . 27636 1 408 . 1 1 116 116 ARG N N 15 122.108 0.3 . 1 . . . . . 116 ARG N . 27636 1 409 . 1 1 117 117 GLN H H 1 8.427 0.020 . 1 . . . . . 117 GLN H . 27636 1 410 . 1 1 117 117 GLN CA C 13 55.985 0.3 . 1 . . . . . 117 GLN CA . 27636 1 411 . 1 1 117 117 GLN CB C 13 29.381 0.3 . 1 . . . . . 117 GLN CB . 27636 1 412 . 1 1 117 117 GLN N N 15 121.188 0.3 . 1 . . . . . 117 GLN N . 27636 1 413 . 1 1 118 118 HIS H H 1 8.589 0.020 . 1 . . . . . 118 HIS H . 27636 1 414 . 1 1 118 118 HIS CA C 13 55.587 0.3 . 1 . . . . . 118 HIS CA . 27636 1 415 . 1 1 118 118 HIS CB C 13 29.063 0.3 . 1 . . . . . 118 HIS CB . 27636 1 416 . 1 1 118 118 HIS N N 15 119.860 0.3 . 1 . . . . . 118 HIS N . 27636 1 417 . 1 1 119 119 MET H H 1 8.431 0.020 . 1 . . . . . 119 MET H . 27636 1 418 . 1 1 119 119 MET CA C 13 55.348 0.3 . 1 . . . . . 119 MET CA . 27636 1 419 . 1 1 119 119 MET CB C 13 33.047 0.3 . 1 . . . . . 119 MET CB . 27636 1 420 . 1 1 119 119 MET N N 15 122.322 0.3 . 1 . . . . . 119 MET N . 27636 1 421 . 1 1 120 120 ASP H H 1 8.498 0.020 . 1 . . . . . 120 ASP H . 27636 1 422 . 1 1 120 120 ASP CA C 13 54.312 0.3 . 1 . . . . . 120 ASP CA . 27636 1 423 . 1 1 120 120 ASP CB C 13 41.227 0.3 . 1 . . . . . 120 ASP CB . 27636 1 424 . 1 1 120 120 ASP N N 15 121.807 0.3 . 1 . . . . . 120 ASP N . 27636 1 425 . 1 1 121 121 SER H H 1 8.246 0.020 . 1 . . . . . 121 SER H . 27636 1 426 . 1 1 121 121 SER CA C 13 56.198 0.3 . 1 . . . . . 121 SER CA . 27636 1 427 . 1 1 121 121 SER CB C 13 63.484 0.3 . 1 . . . . . 121 SER CB . 27636 1 428 . 1 1 121 121 SER N N 15 116.739 0.3 . 1 . . . . . 121 SER N . 27636 1 429 . 1 1 123 123 ASP H H 1 8.373 0.020 . 1 . . . . . 123 ASP H . 27636 1 430 . 1 1 123 123 ASP CA C 13 54.206 0.3 . 1 . . . . . 123 ASP CA . 27636 1 431 . 1 1 123 123 ASP CB C 13 40.855 0.3 . 1 . . . . . 123 ASP CB . 27636 1 432 . 1 1 123 123 ASP N N 15 120.068 0.3 . 1 . . . . . 123 ASP N . 27636 1 433 . 1 1 124 124 LEU H H 1 8.248 0.020 . 1 . . . . . 124 LEU H . 27636 1 434 . 1 1 124 124 LEU CA C 13 55.215 0.3 . 1 . . . . . 124 LEU CA . 27636 1 435 . 1 1 124 124 LEU CB C 13 42.174 0.3 . 1 . . . . . 124 LEU CB . 27636 1 436 . 1 1 124 124 LEU N N 15 123.190 0.3 . 1 . . . . . 124 LEU N . 27636 1 437 . 1 1 125 125 GLY H H 1 8.501 0.020 . 1 . . . . . 125 GLY H . 27636 1 438 . 1 1 125 125 GLY CA C 13 45.494 0.3 . 1 . . . . . 125 GLY CA . 27636 1 439 . 1 1 125 125 GLY N N 15 109.348 0.3 . 1 . . . . . 125 GLY N . 27636 1 440 . 1 1 126 126 THR H H 1 8.099 0.020 . 1 . . . . . 126 THR H . 27636 1 441 . 1 1 126 126 THR CA C 13 61.563 0.3 . 1 . . . . . 126 THR CA . 27636 1 442 . 1 1 126 126 THR CB C 13 69.965 0.3 . 1 . . . . . 126 THR CB . 27636 1 443 . 1 1 126 126 THR N N 15 112.746 0.3 . 1 . . . . . 126 THR N . 27636 1 444 . 1 1 127 127 ASP H H 1 8.509 0.020 . 1 . . . . . 127 ASP H . 27636 1 445 . 1 1 127 127 ASP CA C 13 54.551 0.3 . 1 . . . . . 127 ASP CA . 27636 1 446 . 1 1 127 127 ASP CB C 13 41.068 0.3 . 1 . . . . . 127 ASP CB . 27636 1 447 . 1 1 127 127 ASP N N 15 122.408 0.3 . 1 . . . . . 127 ASP N . 27636 1 448 . 1 1 128 128 ASP H H 1 8.288 0.020 . 1 . . . . . 128 ASP H . 27636 1 449 . 1 1 128 128 ASP CA C 13 54.595 0.3 . 1 . . . . . 128 ASP CA . 27636 1 450 . 1 1 128 128 ASP N N 15 120.422 0.3 . 1 . . . . . 128 ASP N . 27636 1 451 . 1 1 130 130 ASP H H 1 8.307 0.020 . 1 . . . . . 130 ASP H . 27636 1 452 . 1 1 130 130 ASP CA C 13 55.052 0.3 . 1 . . . . . 130 ASP CA . 27636 1 453 . 1 1 130 130 ASP CB C 13 40.544 0.3 . 1 . . . . . 130 ASP CB . 27636 1 454 . 1 1 130 130 ASP N N 15 120.353 0.3 . 1 . . . . . 130 ASP N . 27636 1 455 . 1 1 131 131 LYS H H 1 8.151 0.020 . 1 . . . . . 131 LYS H . 27636 1 456 . 1 1 131 131 LYS CA C 13 56.835 0.3 . 1 . . . . . 131 LYS CA . 27636 1 457 . 1 1 131 131 LYS CB C 13 32.409 0.3 . 1 . . . . . 131 LYS CB . 27636 1 458 . 1 1 131 131 LYS N N 15 121.174 0.3 . 1 . . . . . 131 LYS N . 27636 1 459 . 1 1 132 132 ALA H H 1 8.147 0.020 . 1 . . . . . 132 ALA H . 27636 1 460 . 1 1 132 132 ALA CA C 13 53.144 0.3 . 1 . . . . . 132 ALA CA . 27636 1 461 . 1 1 132 132 ALA CB C 13 18.811 0.3 . 1 . . . . . 132 ALA CB . 27636 1 462 . 1 1 132 132 ALA N N 15 123.541 0.3 . 1 . . . . . 132 ALA N . 27636 1 463 . 1 1 133 133 MET H H 1 8.162 0.020 . 1 . . . . . 133 MET H . 27636 1 464 . 1 1 133 133 MET CA C 13 55.746 0.3 . 1 . . . . . 133 MET CA . 27636 1 465 . 1 1 133 133 MET CB C 13 32.622 0.3 . 1 . . . . . 133 MET CB . 27636 1 466 . 1 1 133 133 MET N N 15 118.537 0.3 . 1 . . . . . 133 MET N . 27636 1 467 . 1 1 134 134 ALA H H 1 8.168 0.020 . 1 . . . . . 134 ALA H . 27636 1 468 . 1 1 134 134 ALA CA C 13 52.931 0.3 . 1 . . . . . 134 ALA CA . 27636 1 469 . 1 1 134 134 ALA CB C 13 19.023 0.3 . 1 . . . . . 134 ALA CB . 27636 1 470 . 1 1 134 134 ALA N N 15 124.404 0.3 . 1 . . . . . 134 ALA N . 27636 1 471 . 1 1 135 135 THR H H 1 8.049 0.020 . 1 . . . . . 135 THR H . 27636 1 472 . 1 1 135 135 THR CA C 13 62.068 0.3 . 1 . . . . . 135 THR CA . 27636 1 473 . 1 1 135 135 THR CB C 13 69.646 0.3 . 1 . . . . . 135 THR CB . 27636 1 474 . 1 1 135 135 THR N N 15 113.138 0.3 . 1 . . . . . 135 THR N . 27636 1 475 . 1 1 136 136 LEU H H 1 8.126 0.020 . 1 . . . . . 136 LEU H . 27636 1 476 . 1 1 136 136 LEU CA C 13 55.507 0.3 . 1 . . . . . 136 LEU CA . 27636 1 477 . 1 1 136 136 LEU CB C 13 42.396 0.3 . 1 . . . . . 136 LEU CB . 27636 1 478 . 1 1 136 136 LEU N N 15 124.168 0.3 . 1 . . . . . 136 LEU N . 27636 1 479 . 1 1 138 138 LYS H H 1 8.211 0.020 . 1 . . . . . 138 LYS H . 27636 1 480 . 1 1 138 138 LYS CA C 13 56.012 0.3 . 1 . . . . . 138 LYS CA . 27636 1 481 . 1 1 138 138 LYS CB C 13 32.940 0.3 . 1 . . . . . 138 LYS CB . 27636 1 482 . 1 1 138 138 LYS N N 15 122.175 0.3 . 1 . . . . . 138 LYS N . 27636 1 483 . 1 1 139 139 LEU H H 1 8.279 0.020 . 1 . . . . . 139 LEU H . 27636 1 484 . 1 1 139 139 LEU CA C 13 55.215 0.3 . 1 . . . . . 139 LEU CA . 27636 1 485 . 1 1 139 139 LEU CB C 13 42.130 0.3 . 1 . . . . . 139 LEU CB . 27636 1 486 . 1 1 139 139 LEU N N 15 124.287 0.3 . 1 . . . . . 139 LEU N . 27636 1 487 . 1 1 140 140 MET H H 1 8.300 0.020 . 1 . . . . . 140 MET H . 27636 1 488 . 1 1 140 140 MET CA C 13 55.257 0.3 . 1 . . . . . 140 MET CA . 27636 1 489 . 1 1 140 140 MET CB C 13 29.554 0.3 . 1 . . . . . 140 MET CB . 27636 1 490 . 1 1 140 140 MET N N 15 119.359 0.3 . 1 . . . . . 140 MET N . 27636 1 491 . 1 1 143 143 PHE H H 1 8.387 0.020 . 1 . . . . . 143 PHE H . 27636 1 492 . 1 1 143 143 PHE CA C 13 58.004 0.3 . 1 . . . . . 143 PHE CA . 27636 1 493 . 1 1 143 143 PHE CB C 13 39.262 0.3 . 1 . . . . . 143 PHE CB . 27636 1 494 . 1 1 143 143 PHE N N 15 119.900 0.3 . 1 . . . . . 143 PHE N . 27636 1 495 . 1 1 144 144 GLU H H 1 8.299 0.020 . 1 . . . . . 144 GLU H . 27636 1 496 . 1 1 144 144 GLU CA C 13 56.331 0.3 . 1 . . . . . 144 GLU CA . 27636 1 497 . 1 1 144 144 GLU CB C 13 30.550 0.3 . 1 . . . . . 144 GLU CB . 27636 1 498 . 1 1 144 144 GLU N N 15 123.135 0.3 . 1 . . . . . 144 GLU N . 27636 1 499 . 1 1 145 145 SER H H 1 8.312 0.020 . 1 . . . . . 145 SER H . 27636 1 500 . 1 1 145 145 SER CA C 13 58.296 0.3 . 1 . . . . . 145 SER CA . 27636 1 501 . 1 1 145 145 SER CB C 13 63.697 0.3 . 1 . . . . . 145 SER CB . 27636 1 502 . 1 1 145 145 SER N N 15 117.025 0.3 . 1 . . . . . 145 SER N . 27636 1 503 . 1 1 146 146 LEU H H 1 8.312 0.020 . 1 . . . . . 146 LEU H . 27636 1 504 . 1 1 146 146 LEU CA C 13 55.560 0.3 . 1 . . . . . 146 LEU CA . 27636 1 505 . 1 1 146 146 LEU CB C 13 42.183 0.3 . 1 . . . . . 146 LEU CB . 27636 1 506 . 1 1 146 146 LEU N N 15 124.207 0.3 . 1 . . . . . 146 LEU N . 27636 1 507 . 1 1 148 148 SER H H 1 8.189 0.020 . 1 . . . . . 148 SER H . 27636 1 508 . 1 1 148 148 SER CA C 13 58.535 0.3 . 1 . . . . . 148 SER CA . 27636 1 509 . 1 1 148 148 SER CB C 13 63.625 0.3 . 1 . . . . . 148 SER CB . 27636 1 510 . 1 1 148 148 SER N N 15 116.212 0.3 . 1 . . . . . 148 SER N . 27636 1 511 . 1 1 149 149 PHE H H 1 8.224 0.020 . 1 . . . . . 149 PHE H . 27636 1 512 . 1 1 149 149 PHE CA C 13 58.391 0.3 . 1 . . . . . 149 PHE CA . 27636 1 513 . 1 1 149 149 PHE CB C 13 39.209 0.3 . 1 . . . . . 149 PHE CB . 27636 1 514 . 1 1 149 149 PHE N N 15 121.955 0.3 . 1 . . . . . 149 PHE N . 27636 1 515 . 1 1 150 150 GLN H H 1 8.218 0.020 . 1 . . . . . 150 GLN H . 27636 1 516 . 1 1 150 150 GLN CA C 13 56.198 0.3 . 1 . . . . . 150 GLN CA . 27636 1 517 . 1 1 150 150 GLN CB C 13 29.187 0.3 . 1 . . . . . 150 GLN CB . 27636 1 518 . 1 1 150 150 GLN N N 15 121.255 0.3 . 1 . . . . . 150 GLN N . 27636 1 519 . 1 1 153 153 GLN H H 1 8.374 0.020 . 1 . . . . . 153 GLN H . 27636 1 520 . 1 1 153 153 GLN CA C 13 56.157 0.3 . 1 . . . . . 153 GLN CA . 27636 1 521 . 1 1 153 153 GLN CB C 13 29.240 0.3 . 1 . . . . . 153 GLN CB . 27636 1 522 . 1 1 153 153 GLN N N 15 121.081 0.3 . 1 . . . . . 153 GLN N . 27636 1 523 . 1 1 168 168 GLN H H 1 8.409 0.020 . 1 . . . . . 168 GLN H . 27636 1 524 . 1 1 168 168 GLN CA C 13 55.401 0.3 . 1 . . . . . 168 GLN CA . 27636 1 525 . 1 1 168 168 GLN CB C 13 29.488 0.3 . 1 . . . . . 168 GLN CB . 27636 1 526 . 1 1 168 168 GLN N N 15 120.382 0.3 . 1 . . . . . 168 GLN N . 27636 1 527 . 1 1 169 169 LEU H H 1 8.358 0.020 . 1 . . . . . 169 LEU H . 27636 1 528 . 1 1 169 169 LEU CA C 13 52.984 0.3 . 1 . . . . . 169 LEU CA . 27636 1 529 . 1 1 169 169 LEU CB C 13 41.546 0.3 . 1 . . . . . 169 LEU CB . 27636 1 530 . 1 1 169 169 LEU N N 15 125.475 0.3 . 1 . . . . . 169 LEU N . 27636 1 531 . 1 1 171 171 GLN H H 1 8.445 0.020 . 1 . . . . . 171 GLN H . 27636 1 532 . 1 1 171 171 GLN CA C 13 55.560 0.3 . 1 . . . . . 171 GLN CA . 27636 1 533 . 1 1 171 171 GLN N N 15 120.316 0.3 . 1 . . . . . 171 GLN N . 27636 1 534 . 1 1 175 175 GLN H H 1 8.514 0.020 . 1 . . . . . 175 GLN H . 27636 1 535 . 1 1 175 175 GLN CA C 13 55.605 0.3 . 1 . . . . . 175 GLN CA . 27636 1 536 . 1 1 175 175 GLN CB C 13 29.713 0.3 . 1 . . . . . 175 GLN CB . 27636 1 537 . 1 1 175 175 GLN N N 15 119.011 0.3 . 1 . . . . . 175 GLN N . 27636 1 538 . 1 1 176 176 ALA H H 1 8.302 0.020 . 1 . . . . . 176 ALA H . 27636 1 539 . 1 1 176 176 ALA CA C 13 52.400 0.3 . 1 . . . . . 176 ALA CA . 27636 1 540 . 1 1 176 176 ALA CB C 13 19.342 0.3 . 1 . . . . . 176 ALA CB . 27636 1 541 . 1 1 176 176 ALA N N 15 126.195 0.3 . 1 . . . . . 176 ALA N . 27636 1 542 . 1 1 177 177 GLN H H 1 8.010 0.020 . 1 . . . . . 177 GLN H . 27636 1 543 . 1 1 177 177 GLN CA C 13 53.170 0.3 . 1 . . . . . 177 GLN CA . 27636 1 544 . 1 1 177 177 GLN CB C 13 29.913 0.3 . 1 . . . . . 177 GLN CB . 27636 1 545 . 1 1 177 177 GLN N N 15 118.053 0.3 . 1 . . . . . 177 GLN N . 27636 1 546 . 1 1 179 179 LEU H H 1 8.281 0.020 . 1 . . . . . 179 LEU H . 27636 1 547 . 1 1 179 179 LEU CA C 13 55.268 0.3 . 1 . . . . . 179 LEU CA . 27636 1 548 . 1 1 179 179 LEU CB C 13 42.343 0.3 . 1 . . . . . 179 LEU CB . 27636 1 549 . 1 1 179 179 LEU N N 15 122.928 0.3 . 1 . . . . . 179 LEU N . 27636 1 550 . 1 1 180 180 LEU H H 1 7.873 0.020 . 1 . . . . . 180 LEU H . 27636 1 551 . 1 1 180 180 LEU CA C 13 52.134 0.3 . 1 . . . . . 180 LEU CA . 27636 1 552 . 1 1 180 180 LEU CB C 13 43.529 0.3 . 1 . . . . . 180 LEU CB . 27636 1 553 . 1 1 180 180 LEU N N 15 122.020 0.3 . 1 . . . . . 180 LEU N . 27636 1 554 . 1 1 182 182 GLN H H 1 8.197 0.020 . 1 . . . . . 182 GLN H . 27636 1 555 . 1 1 182 182 GLN CA C 13 52.666 0.3 . 1 . . . . . 182 GLN CA . 27636 1 556 . 1 1 182 182 GLN CB C 13 30.072 0.3 . 1 . . . . . 182 GLN CB . 27636 1 557 . 1 1 182 182 GLN N N 15 119.123 0.3 . 1 . . . . . 182 GLN N . 27636 1 558 . 1 1 184 184 GLN H H 1 8.714 0.020 . 1 . . . . . 184 GLN H . 27636 1 559 . 1 1 184 184 GLN CA C 13 53.993 0.3 . 1 . . . . . 184 GLN CA . 27636 1 560 . 1 1 184 184 GLN CB C 13 28.956 0.3 . 1 . . . . . 184 GLN CB . 27636 1 561 . 1 1 184 184 GLN N N 15 121.588 0.3 . 1 . . . . . 184 GLN N . 27636 1 562 . 1 1 195 195 GLY H H 1 8.349 0.020 . 1 . . . . . 195 GLY H . 27636 1 563 . 1 1 195 195 GLY CA C 13 44.618 0.3 . 1 . . . . . 195 GLY CA . 27636 1 564 . 1 1 195 195 GLY N N 15 112.400 0.3 . 1 . . . . . 195 GLY N . 27636 1 565 . 1 1 197 197 ALA H H 1 8.418 0.020 . 1 . . . . . 197 ALA H . 27636 1 566 . 1 1 197 197 ALA CA C 13 52.347 0.3 . 1 . . . . . 197 ALA CA . 27636 1 567 . 1 1 197 197 ALA CB C 13 18.970 0.3 . 1 . . . . . 197 ALA CB . 27636 1 568 . 1 1 197 197 ALA N N 15 124.381 0.3 . 1 . . . . . 197 ALA N . 27636 1 569 . 1 1 198 198 VAL H H 1 8.107 0.020 . 1 . . . . . 198 VAL H . 27636 1 570 . 1 1 198 198 VAL CA C 13 61.961 0.3 . 1 . . . . . 198 VAL CA . 27636 1 571 . 1 1 198 198 VAL CB C 13 32.781 0.3 . 1 . . . . . 198 VAL CB . 27636 1 572 . 1 1 198 198 VAL N N 15 119.761 0.3 . 1 . . . . . 198 VAL N . 27636 1 573 . 1 1 199 199 ALA H H 1 8.372 0.020 . 1 . . . . . 199 ALA H . 27636 1 574 . 1 1 199 199 ALA CA C 13 52.320 0.3 . 1 . . . . . 199 ALA CA . 27636 1 575 . 1 1 199 199 ALA CB C 13 19.289 0.3 . 1 . . . . . 199 ALA CB . 27636 1 576 . 1 1 199 199 ALA N N 15 127.895 0.3 . 1 . . . . . 199 ALA N . 27636 1 577 . 1 1 200 200 GLU H H 1 8.330 0.020 . 1 . . . . . 200 GLU H . 27636 1 578 . 1 1 200 200 GLU CA C 13 56.118 0.3 . 1 . . . . . 200 GLU CA . 27636 1 579 . 1 1 200 200 GLU CB C 13 30.550 0.3 . 1 . . . . . 200 GLU CB . 27636 1 580 . 1 1 200 200 GLU N N 15 120.575 0.3 . 1 . . . . . 200 GLU N . 27636 1 581 . 1 1 201 201 GLU H H 1 8.455 0.020 . 1 . . . . . 201 GLU H . 27636 1 582 . 1 1 201 201 GLU CA C 13 54.525 0.3 . 1 . . . . . 201 GLU CA . 27636 1 583 . 1 1 201 201 GLU CB C 13 29.700 0.3 . 1 . . . . . 201 GLU CB . 27636 1 584 . 1 1 201 201 GLU N N 15 124.093 0.3 . 1 . . . . . 201 GLU N . 27636 1 585 . 1 1 203 203 LEU H H 1 8.250 0.020 . 1 . . . . . 203 LEU H . 27636 1 586 . 1 1 203 203 LEU CA C 13 55.534 0.3 . 1 . . . . . 203 LEU CA . 27636 1 587 . 1 1 203 203 LEU CB C 13 42.130 0.3 . 1 . . . . . 203 LEU CB . 27636 1 588 . 1 1 203 203 LEU N N 15 120.674 0.3 . 1 . . . . . 203 LEU N . 27636 1 589 . 1 1 204 204 HIS H H 1 8.328 0.020 . 1 . . . . . 204 HIS H . 27636 1 590 . 1 1 204 204 HIS CA C 13 55.136 0.3 . 1 . . . . . 204 HIS CA . 27636 1 591 . 1 1 204 204 HIS CB C 13 29.275 0.3 . 1 . . . . . 204 HIS CB . 27636 1 592 . 1 1 204 204 HIS N N 15 118.522 0.3 . 1 . . . . . 204 HIS N . 27636 1 593 . 1 1 205 205 ARG H H 1 8.234 0.020 . 1 . . . . . 205 ARG H . 27636 1 594 . 1 1 205 205 ARG CA C 13 53.967 0.3 . 1 . . . . . 205 ARG CA . 27636 1 595 . 1 1 205 205 ARG CB C 13 30.019 0.3 . 1 . . . . . 205 ARG CB . 27636 1 596 . 1 1 205 205 ARG N N 15 122.993 0.3 . 1 . . . . . 205 ARG N . 27636 1 stop_ save_