data_25367 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25367 _Entry.Title ; Chemical Shifts of the designed Armadillo Repeat Protein YMRRA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-26 _Entry.Accession_date 2014-11-26 _Entry.Last_release_date 2015-06-04 _Entry.Original_release_date 2015-06-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Backbone chemical shifts for the designed Armadillo Repeat Protein (binder to neurotensin)' _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.Entry_ID 1 Christina Ewald . . . 25367 2 Oliver Zerbe . . . 25367 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Zurich' . 25367 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25367 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 445 25367 '15N chemical shifts' 160 25367 '1H chemical shifts' 160 25367 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 . . 2015-06-04 . original BMRB . 25367 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25367 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25816772 _Citation.Full_citation . _Citation.Title ; A combined NMR and computational approach to investigate Peptide binding to a designed armadillo repeat protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 427 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1916 _Citation.Page_last 1933 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Christina Ewald . . . 25367 1 2 Martin Christen . T. . 25367 1 3 Randall Watson . P. . 25367 1 4 Maja Mihajlovic . . . 25367 1 5 Ting Zhou . . . 25367 1 6 Annemarie Honegger . . . 25367 1 7 Andreas Plueckthun . . . 25367 1 8 Amedeo Caflisch . . . 25367 1 9 Oliver Zerbe . . . 25367 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Armadillo Reapat Protein' 25367 1 'Protein Engeneering' 25367 1 'neurotensin binder' 25367 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25367 _Assembly.ID 1 _Assembly.Name YMRRA _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 . _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 YMRRA 1 $YMRRA A . yes native no no . . . 25367 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YMRRA _Entity.Sf_category entity _Entity.Sf_framecode YMRRA _Entity.Entry_ID 25367 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YMRRA _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 ; MRGSHHHHHHGSELPQMTQQ LNSDDMQEQLSATVKFRQIL SRDGNEQIQAVIDAGALPAL VQLLSSPNEQILQEALWALS NIASGGNEQTQAVIDAGALP ALVQLLSSPNEQILQYALIA LNNIAFAGNEQTQAVIDAGA LPALVQLLSSPNGQILQETL WALTNIAMEGNEQKQAVKEA GALEKLEQLQSHENEKIQKE AQEALEKLQSH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-12 represent a non-native affifity tag for purification.' _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 211 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Binding of neurotensin peptide' 25367 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 . MET . 25367 1 2 . ARG . 25367 1 3 . GLY . 25367 1 4 . SER . 25367 1 5 . HIS . 25367 1 6 . HIS . 25367 1 7 . HIS . 25367 1 8 . HIS . 25367 1 9 . HIS . 25367 1 10 . HIS . 25367 1 11 . GLY . 25367 1 12 . SER . 25367 1 13 . GLU . 25367 1 14 . LEU . 25367 1 15 . PRO . 25367 1 16 . GLN . 25367 1 17 . MET . 25367 1 18 . THR . 25367 1 19 . GLN . 25367 1 20 . GLN . 25367 1 21 . LEU . 25367 1 22 . ASN . 25367 1 23 . SER . 25367 1 24 . ASP . 25367 1 25 . ASP . 25367 1 26 . MET . 25367 1 27 . GLN . 25367 1 28 . GLU . 25367 1 29 . GLN . 25367 1 30 . LEU . 25367 1 31 . SER . 25367 1 32 . ALA . 25367 1 33 . THR . 25367 1 34 . VAL . 25367 1 35 . LYS . 25367 1 36 . PHE . 25367 1 37 . ARG . 25367 1 38 . GLN . 25367 1 39 . ILE . 25367 1 40 . LEU . 25367 1 41 . SER . 25367 1 42 . ARG . 25367 1 43 . ASP . 25367 1 44 . GLY . 25367 1 45 . ASN . 25367 1 46 . GLU . 25367 1 47 . GLN . 25367 1 48 . ILE . 25367 1 49 . GLN . 25367 1 50 . ALA . 25367 1 51 . VAL . 25367 1 52 . ILE . 25367 1 53 . ASP . 25367 1 54 . ALA . 25367 1 55 . GLY . 25367 1 56 . ALA . 25367 1 57 . LEU . 25367 1 58 . PRO . 25367 1 59 . ALA . 25367 1 60 . LEU . 25367 1 61 . VAL . 25367 1 62 . GLN . 25367 1 63 . LEU . 25367 1 64 . LEU . 25367 1 65 . SER . 25367 1 66 . SER . 25367 1 67 . PRO . 25367 1 68 . ASN . 25367 1 69 . GLU . 25367 1 70 . GLN . 25367 1 71 . ILE . 25367 1 72 . LEU . 25367 1 73 . GLN . 25367 1 74 . GLU . 25367 1 75 . ALA . 25367 1 76 . LEU . 25367 1 77 . TRP . 25367 1 78 . ALA . 25367 1 79 . LEU . 25367 1 80 . SER . 25367 1 81 . ASN . 25367 1 82 . ILE . 25367 1 83 . ALA . 25367 1 84 . SER . 25367 1 85 . GLY . 25367 1 86 . GLY . 25367 1 87 . ASN . 25367 1 88 . GLU . 25367 1 89 . GLN . 25367 1 90 . THR . 25367 1 91 . GLN . 25367 1 92 . ALA . 25367 1 93 . VAL . 25367 1 94 . ILE . 25367 1 95 . ASP . 25367 1 96 . ALA . 25367 1 97 . GLY . 25367 1 98 . ALA . 25367 1 99 . LEU . 25367 1 100 . PRO . 25367 1 101 . ALA . 25367 1 102 . LEU . 25367 1 103 . VAL . 25367 1 104 . GLN . 25367 1 105 . LEU . 25367 1 106 . LEU . 25367 1 107 . SER . 25367 1 108 . SER . 25367 1 109 . PRO . 25367 1 110 . ASN . 25367 1 111 . GLU . 25367 1 112 . GLN . 25367 1 113 . ILE . 25367 1 114 . LEU . 25367 1 115 . GLN . 25367 1 116 . TYR . 25367 1 117 . ALA . 25367 1 118 . LEU . 25367 1 119 . ILE . 25367 1 120 . ALA . 25367 1 121 . LEU . 25367 1 122 . ASN . 25367 1 123 . ASN . 25367 1 124 . ILE . 25367 1 125 . ALA . 25367 1 126 . PHE . 25367 1 127 . ALA . 25367 1 128 . GLY . 25367 1 129 . ASN . 25367 1 130 . GLU . 25367 1 131 . GLN . 25367 1 132 . THR . 25367 1 133 . GLN . 25367 1 134 . ALA . 25367 1 135 . VAL . 25367 1 136 . ILE . 25367 1 137 . ASP . 25367 1 138 . ALA . 25367 1 139 . GLY . 25367 1 140 . ALA . 25367 1 141 . LEU . 25367 1 142 . PRO . 25367 1 143 . ALA . 25367 1 144 . LEU . 25367 1 145 . VAL . 25367 1 146 . GLN . 25367 1 147 . LEU . 25367 1 148 . LEU . 25367 1 149 . SER . 25367 1 150 . SER . 25367 1 151 . PRO . 25367 1 152 . ASN . 25367 1 153 . GLY . 25367 1 154 . GLN . 25367 1 155 . ILE . 25367 1 156 . LEU . 25367 1 157 . GLN . 25367 1 158 . GLU . 25367 1 159 . THR . 25367 1 160 . LEU . 25367 1 161 . TRP . 25367 1 162 . ALA . 25367 1 163 . LEU . 25367 1 164 . THR . 25367 1 165 . ASN . 25367 1 166 . ILE . 25367 1 167 . ALA . 25367 1 168 . MET . 25367 1 169 . GLU . 25367 1 170 . GLY . 25367 1 171 . ASN . 25367 1 172 . GLU . 25367 1 173 . GLN . 25367 1 174 . LYS . 25367 1 175 . GLN . 25367 1 176 . ALA . 25367 1 177 . VAL . 25367 1 178 . LYS . 25367 1 179 . GLU . 25367 1 180 . ALA . 25367 1 181 . GLY . 25367 1 182 . ALA . 25367 1 183 . LEU . 25367 1 184 . GLU . 25367 1 185 . LYS . 25367 1 186 . LEU . 25367 1 187 . GLU . 25367 1 188 . GLN . 25367 1 189 . LEU . 25367 1 190 . GLN . 25367 1 191 . SER . 25367 1 192 . HIS . 25367 1 193 . GLU . 25367 1 194 . ASN . 25367 1 195 . GLU . 25367 1 196 . LYS . 25367 1 197 . ILE . 25367 1 198 . GLN . 25367 1 199 . LYS . 25367 1 200 . GLU . 25367 1 201 . ALA . 25367 1 202 . GLN . 25367 1 203 . GLU . 25367 1 204 . ALA . 25367 1 205 . LEU . 25367 1 206 . GLU . 25367 1 207 . LYS . 25367 1 208 . LEU . 25367 1 209 . GLN . 25367 1 210 . SER . 25367 1 211 . HIS . 25367 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 25367 1 . ARG 2 2 25367 1 . GLY 3 3 25367 1 . SER 4 4 25367 1 . HIS 5 5 25367 1 . HIS 6 6 25367 1 . HIS 7 7 25367 1 . HIS 8 8 25367 1 . HIS 9 9 25367 1 . HIS 10 10 25367 1 . GLY 11 11 25367 1 . SER 12 12 25367 1 . GLU 13 13 25367 1 . LEU 14 14 25367 1 . PRO 15 15 25367 1 . GLN 16 16 25367 1 . MET 17 17 25367 1 . THR 18 18 25367 1 . GLN 19 19 25367 1 . GLN 20 20 25367 1 . LEU 21 21 25367 1 . ASN 22 22 25367 1 . SER 23 23 25367 1 . ASP 24 24 25367 1 . ASP 25 25 25367 1 . MET 26 26 25367 1 . GLN 27 27 25367 1 . GLU 28 28 25367 1 . GLN 29 29 25367 1 . LEU 30 30 25367 1 . SER 31 31 25367 1 . ALA 32 32 25367 1 . THR 33 33 25367 1 . VAL 34 34 25367 1 . LYS 35 35 25367 1 . PHE 36 36 25367 1 . ARG 37 37 25367 1 . GLN 38 38 25367 1 . ILE 39 39 25367 1 . LEU 40 40 25367 1 . SER 41 41 25367 1 . ARG 42 42 25367 1 . ASP 43 43 25367 1 . GLY 44 44 25367 1 . ASN 45 45 25367 1 . GLU 46 46 25367 1 . GLN 47 47 25367 1 . ILE 48 48 25367 1 . GLN 49 49 25367 1 . ALA 50 50 25367 1 . VAL 51 51 25367 1 . ILE 52 52 25367 1 . ASP 53 53 25367 1 . ALA 54 54 25367 1 . GLY 55 55 25367 1 . ALA 56 56 25367 1 . LEU 57 57 25367 1 . PRO 58 58 25367 1 . ALA 59 59 25367 1 . LEU 60 60 25367 1 . VAL 61 61 25367 1 . GLN 62 62 25367 1 . LEU 63 63 25367 1 . LEU 64 64 25367 1 . SER 65 65 25367 1 . SER 66 66 25367 1 . PRO 67 67 25367 1 . ASN 68 68 25367 1 . GLU 69 69 25367 1 . GLN 70 70 25367 1 . ILE 71 71 25367 1 . LEU 72 72 25367 1 . GLN 73 73 25367 1 . GLU 74 74 25367 1 . ALA 75 75 25367 1 . LEU 76 76 25367 1 . TRP 77 77 25367 1 . ALA 78 78 25367 1 . LEU 79 79 25367 1 . SER 80 80 25367 1 . ASN 81 81 25367 1 . ILE 82 82 25367 1 . ALA 83 83 25367 1 . SER 84 84 25367 1 . GLY 85 85 25367 1 . GLY 86 86 25367 1 . ASN 87 87 25367 1 . GLU 88 88 25367 1 . GLN 89 89 25367 1 . THR 90 90 25367 1 . GLN 91 91 25367 1 . ALA 92 92 25367 1 . VAL 93 93 25367 1 . ILE 94 94 25367 1 . ASP 95 95 25367 1 . ALA 96 96 25367 1 . GLY 97 97 25367 1 . ALA 98 98 25367 1 . LEU 99 99 25367 1 . PRO 100 100 25367 1 . ALA 101 101 25367 1 . LEU 102 102 25367 1 . VAL 103 103 25367 1 . GLN 104 104 25367 1 . LEU 105 105 25367 1 . LEU 106 106 25367 1 . SER 107 107 25367 1 . SER 108 108 25367 1 . PRO 109 109 25367 1 . ASN 110 110 25367 1 . GLU 111 111 25367 1 . GLN 112 112 25367 1 . ILE 113 113 25367 1 . LEU 114 114 25367 1 . GLN 115 115 25367 1 . TYR 116 116 25367 1 . ALA 117 117 25367 1 . LEU 118 118 25367 1 . ILE 119 119 25367 1 . ALA 120 120 25367 1 . LEU 121 121 25367 1 . ASN 122 122 25367 1 . ASN 123 123 25367 1 . ILE 124 124 25367 1 . ALA 125 125 25367 1 . PHE 126 126 25367 1 . ALA 127 127 25367 1 . GLY 128 128 25367 1 . ASN 129 129 25367 1 . GLU 130 130 25367 1 . GLN 131 131 25367 1 . THR 132 132 25367 1 . GLN 133 133 25367 1 . ALA 134 134 25367 1 . VAL 135 135 25367 1 . ILE 136 136 25367 1 . ASP 137 137 25367 1 . ALA 138 138 25367 1 . GLY 139 139 25367 1 . ALA 140 140 25367 1 . LEU 141 141 25367 1 . PRO 142 142 25367 1 . ALA 143 143 25367 1 . LEU 144 144 25367 1 . VAL 145 145 25367 1 . GLN 146 146 25367 1 . LEU 147 147 25367 1 . LEU 148 148 25367 1 . SER 149 149 25367 1 . SER 150 150 25367 1 . PRO 151 151 25367 1 . ASN 152 152 25367 1 . GLY 153 153 25367 1 . GLN 154 154 25367 1 . ILE 155 155 25367 1 . LEU 156 156 25367 1 . GLN 157 157 25367 1 . GLU 158 158 25367 1 . THR 159 159 25367 1 . LEU 160 160 25367 1 . TRP 161 161 25367 1 . ALA 162 162 25367 1 . LEU 163 163 25367 1 . THR 164 164 25367 1 . ASN 165 165 25367 1 . ILE 166 166 25367 1 . ALA 167 167 25367 1 . MET 168 168 25367 1 . GLU 169 169 25367 1 . GLY 170 170 25367 1 . ASN 171 171 25367 1 . GLU 172 172 25367 1 . GLN 173 173 25367 1 . LYS 174 174 25367 1 . GLN 175 175 25367 1 . ALA 176 176 25367 1 . VAL 177 177 25367 1 . LYS 178 178 25367 1 . GLU 179 179 25367 1 . ALA 180 180 25367 1 . GLY 181 181 25367 1 . ALA 182 182 25367 1 . LEU 183 183 25367 1 . GLU 184 184 25367 1 . LYS 185 185 25367 1 . LEU 186 186 25367 1 . GLU 187 187 25367 1 . GLN 188 188 25367 1 . LEU 189 189 25367 1 . GLN 190 190 25367 1 . SER 191 191 25367 1 . HIS 192 192 25367 1 . GLU 193 193 25367 1 . ASN 194 194 25367 1 . GLU 195 195 25367 1 . LYS 196 196 25367 1 . ILE 197 197 25367 1 . GLN 198 198 25367 1 . LYS 199 199 25367 1 . GLU 200 200 25367 1 . ALA 201 201 25367 1 . GLN 202 202 25367 1 . GLU 203 203 25367 1 . ALA 204 204 25367 1 . LEU 205 205 25367 1 . GLU 206 206 25367 1 . LYS 207 207 25367 1 . LEU 208 208 25367 1 . GLN 209 209 25367 1 . SER 210 210 25367 1 . HIS 211 211 25367 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 25367 _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 $YMRRA . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 25367 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 25367 _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 $YMRRA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'M15 (rep4)' . . . . . pPANK_YMRRA . . . 25367 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25367 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'buffer required!' _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 YMRRA '[U-13C; U-15N; U-2H]' . . 1 $YMRRA . . 800 . . uM . . . . 25367 1 2 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 25367 1 3 Na-phosphate 'natural abundance' . . . . . . 50 . . mM . . . . 25367 1 4 glycerol 'natural abundance' . . . . . . 2 . . % . . . . 25367 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 25367 _Sample_condition_list.ID 1 _Sample_condition_list.Details '2% glycerol and 0.02% NaN3 added' 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' 0.425 . M 25367 1 pH 7.4 . pH 25367 1 pressure 1 . atm 25367 1 temperature 307 . K 25367 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25367 _Software.ID 1 _Software.Name CARA _Software.Version 1.9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25367 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25367 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 25367 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25367 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25367 _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 . . . 25367 1 2 spectrometer_2 Bruker Avance . 600 . . . 25367 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 25367 _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 . . . . . . . . . . . . . . . . 25367 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25367 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25367 1 4 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25367 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25367 1 6 HN(CACO)NNH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25367 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 25367 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.63 internal indirect 0.25144954 . . . . . . . . . 25367 1 H 1 water protons . . . . ppm 4.63 internal direct 1 . . . . . . . . . 25367 1 N 15 water protons . . . . ppm 4.63 internal indirect 0.10132900 . . . . . . . . . 25367 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 25367 _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 '2H isotope effect: all 13C, 15N.' _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' . . . 25367 1 2 '3D HNCO' . . . 25367 1 3 '3D HNCACB' . . . 25367 1 4 '3D HN(CO)CACB' . . . 25367 1 5 '3D HN(CA)CO' . . . 25367 1 6 HN(CACO)NNH . . . 25367 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 $CARA . . 25367 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 19 19 GLN H H 1 8.099 0.020 . 1 . . . . 19 GLN H . 25367 1 2 . 1 1 19 19 GLN C C 13 177.165 0.3 . 1 . . . . 19 GLN C . 25367 1 3 . 1 1 19 19 GLN CA C 13 56.964 0.3 . 1 . . . . 19 GLN CA . 25367 1 4 . 1 1 19 19 GLN CB C 13 28.963 0.3 . 1 . . . . 19 GLN CB . 25367 1 5 . 1 1 19 19 GLN N N 15 119.864 0.3 . 1 . . . . 19 GLN N . 25367 1 6 . 1 1 20 20 GLN H H 1 7.910 0.020 . 1 . . . . 20 GLN H . 25367 1 7 . 1 1 20 20 GLN C C 13 176.874 0.3 . 1 . . . . 20 GLN C . 25367 1 8 . 1 1 20 20 GLN CA C 13 56.224 0.3 . 1 . . . . 20 GLN CA . 25367 1 9 . 1 1 20 20 GLN CB C 13 31.669 0.3 . 1 . . . . 20 GLN CB . 25367 1 10 . 1 1 20 20 GLN N N 15 120.242 0.3 . 1 . . . . 20 GLN N . 25367 1 11 . 1 1 21 21 LEU H H 1 7.880 0.020 . 1 . . . . 21 LEU H . 25367 1 12 . 1 1 21 21 LEU C C 13 177.457 0.3 . 1 . . . . 21 LEU C . 25367 1 13 . 1 1 21 21 LEU CA C 13 55.040 0.3 . 1 . . . . 21 LEU CA . 25367 1 14 . 1 1 21 21 LEU CB C 13 41.109 0.3 . 1 . . . . 21 LEU CB . 25367 1 15 . 1 1 21 21 LEU N N 15 121.619 0.3 . 1 . . . . 21 LEU N . 25367 1 16 . 1 1 24 24 ASP H H 1 8.311 0.020 . 1 . . . . 24 ASP H . 25367 1 17 . 1 1 24 24 ASP C C 13 175.672 0.3 . 1 . . . . 24 ASP C . 25367 1 18 . 1 1 24 24 ASP CA C 13 54.513 0.3 . 1 . . . . 24 ASP CA . 25367 1 19 . 1 1 24 24 ASP CB C 13 40.021 0.3 . 1 . . . . 24 ASP CB . 25367 1 20 . 1 1 24 24 ASP N N 15 122.417 0.3 . 1 . . . . 24 ASP N . 25367 1 21 . 1 1 25 25 ASP H H 1 8.435 0.020 . 1 . . . . 25 ASP H . 25367 1 22 . 1 1 25 25 ASP C C 13 176.646 0.3 . 1 . . . . 25 ASP C . 25367 1 23 . 1 1 25 25 ASP CA C 13 52.870 0.3 . 1 . . . . 25 ASP CA . 25367 1 24 . 1 1 25 25 ASP N N 15 121.090 0.3 . 1 . . . . 25 ASP N . 25367 1 25 . 1 1 27 27 GLN H H 1 8.319 0.020 . 1 . . . . 27 GLN H . 25367 1 26 . 1 1 27 27 GLN C C 13 179.512 0.3 . 1 . . . . 27 GLN C . 25367 1 27 . 1 1 27 27 GLN CB C 13 26.889 0.3 . 1 . . . . 27 GLN CB . 25367 1 28 . 1 1 27 27 GLN N N 15 117.561 0.3 . 1 . . . . 27 GLN N . 25367 1 29 . 1 1 28 28 GLU H H 1 7.638 0.020 . 1 . . . . 28 GLU H . 25367 1 30 . 1 1 28 28 GLU C C 13 178.809 0.3 . 1 . . . . 28 GLU C . 25367 1 31 . 1 1 28 28 GLU CA C 13 58.645 0.3 . 1 . . . . 28 GLU CA . 25367 1 32 . 1 1 28 28 GLU CB C 13 28.688 0.3 . 1 . . . . 28 GLU CB . 25367 1 33 . 1 1 28 28 GLU N N 15 121.375 0.3 . 1 . . . . 28 GLU N . 25367 1 34 . 1 1 29 29 GLN H H 1 8.051 0.020 . 1 . . . . 29 GLN H . 25367 1 35 . 1 1 29 29 GLN C C 13 177.279 0.3 . 1 . . . . 29 GLN C . 25367 1 36 . 1 1 29 29 GLN CA C 13 58.017 0.3 . 1 . . . . 29 GLN CA . 25367 1 37 . 1 1 29 29 GLN CB C 13 27.305 0.3 . 1 . . . . 29 GLN CB . 25367 1 38 . 1 1 29 29 GLN N N 15 118.828 0.3 . 1 . . . . 29 GLN N . 25367 1 39 . 1 1 30 30 LEU H H 1 8.365 0.020 . 1 . . . . 30 LEU H . 25367 1 40 . 1 1 30 30 LEU C C 13 178.221 0.3 . 1 . . . . 30 LEU C . 25367 1 41 . 1 1 30 30 LEU CB C 13 39.981 0.3 . 1 . . . . 30 LEU CB . 25367 1 42 . 1 1 30 30 LEU N N 15 119.724 0.3 . 1 . . . . 30 LEU N . 25367 1 43 . 1 1 31 31 SER H H 1 7.973 0.020 . 1 . . . . 31 SER H . 25367 1 44 . 1 1 31 31 SER C C 13 175.355 0.3 . 1 . . . . 31 SER C . 25367 1 45 . 1 1 31 31 SER CA C 13 61.058 0.3 . 1 . . . . 31 SER CA . 25367 1 46 . 1 1 31 31 SER CB C 13 62.060 0.3 . 1 . . . . 31 SER CB . 25367 1 47 . 1 1 31 31 SER N N 15 113.189 0.3 . 1 . . . . 31 SER N . 25367 1 48 . 1 1 43 43 ASP H H 1 8.178 0.020 . 1 . . . . 43 ASP H . 25367 1 49 . 1 1 43 43 ASP C C 13 176.795 0.3 . 1 . . . . 43 ASP C . 25367 1 50 . 1 1 43 43 ASP CA C 13 54.504 0.3 . 1 . . . . 43 ASP CA . 25367 1 51 . 1 1 43 43 ASP CB C 13 40.685 0.3 . 1 . . . . 43 ASP CB . 25367 1 52 . 1 1 43 43 ASP N N 15 119.143 0.3 . 1 . . . . 43 ASP N . 25367 1 53 . 1 1 44 44 GLY H H 1 8.135 0.020 . 1 . . . . 44 GLY H . 25367 1 54 . 1 1 44 44 GLY C C 13 174.589 0.3 . 1 . . . . 44 GLY C . 25367 1 55 . 1 1 44 44 GLY CA C 13 45.180 0.3 . 1 . . . . 44 GLY CA . 25367 1 56 . 1 1 44 44 GLY N N 15 108.645 0.3 . 1 . . . . 44 GLY N . 25367 1 57 . 1 1 50 50 ALA H H 1 7.549 0.020 . 1 . . . . 50 ALA H . 25367 1 58 . 1 1 50 50 ALA C C 13 177.998 0.3 . 1 . . . . 50 ALA C . 25367 1 59 . 1 1 50 50 ALA CA C 13 53.472 0.3 . 1 . . . . 50 ALA CA . 25367 1 60 . 1 1 50 50 ALA CB C 13 18.273 0.3 . 1 . . . . 50 ALA CB . 25367 1 61 . 1 1 50 50 ALA N N 15 120.090 0.3 . 1 . . . . 50 ALA N . 25367 1 62 . 1 1 51 51 VAL H H 1 7.330 0.020 . 1 . . . . 51 VAL H . 25367 1 63 . 1 1 51 51 VAL C C 13 177.347 0.3 . 1 . . . . 51 VAL C . 25367 1 64 . 1 1 51 51 VAL CA C 13 66.604 0.3 . 1 . . . . 51 VAL CA . 25367 1 65 . 1 1 51 51 VAL CB C 13 30.729 0.3 . 1 . . . . 51 VAL CB . 25367 1 66 . 1 1 51 51 VAL N N 15 118.452 0.3 . 1 . . . . 51 VAL N . 25367 1 67 . 1 1 52 52 ILE H H 1 7.832 0.020 . 1 . . . . 52 ILE H . 25367 1 68 . 1 1 52 52 ILE CA C 13 61.488 0.3 . 1 . . . . 52 ILE CA . 25367 1 69 . 1 1 52 52 ILE CB C 13 37.330 0.3 . 1 . . . . 52 ILE CB . 25367 1 70 . 1 1 52 52 ILE N N 15 120.408 0.3 . 1 . . . . 52 ILE N . 25367 1 71 . 1 1 53 53 ASP H H 1 9.136 0.020 . 1 . . . . 53 ASP H . 25367 1 72 . 1 1 53 53 ASP C C 13 176.992 0.3 . 1 . . . . 53 ASP C . 25367 1 73 . 1 1 53 53 ASP CA C 13 56.692 0.3 . 1 . . . . 53 ASP CA . 25367 1 74 . 1 1 53 53 ASP CB C 13 39.205 0.3 . 1 . . . . 53 ASP CB . 25367 1 75 . 1 1 53 53 ASP N N 15 122.884 0.3 . 1 . . . . 53 ASP N . 25367 1 76 . 1 1 55 55 GLY H H 1 8.022 0.020 . 1 . . . . 55 GLY H . 25367 1 77 . 1 1 55 55 GLY C C 13 175.663 0.3 . 1 . . . . 55 GLY C . 25367 1 78 . 1 1 55 55 GLY CA C 13 45.212 0.3 . 1 . . . . 55 GLY CA . 25367 1 79 . 1 1 55 55 GLY N N 15 104.965 0.3 . 1 . . . . 55 GLY N . 25367 1 80 . 1 1 56 56 ALA H H 1 6.898 0.020 . 1 . . . . 56 ALA H . 25367 1 81 . 1 1 56 56 ALA C C 13 178.105 0.3 . 1 . . . . 56 ALA C . 25367 1 82 . 1 1 56 56 ALA CA C 13 50.704 0.3 . 1 . . . . 56 ALA CA . 25367 1 83 . 1 1 56 56 ALA CB C 13 18.831 0.3 . 1 . . . . 56 ALA CB . 25367 1 84 . 1 1 56 56 ALA N N 15 117.665 0.3 . 1 . . . . 56 ALA N . 25367 1 85 . 1 1 59 59 ALA H H 1 6.835 0.020 . 1 . . . . 59 ALA H . 25367 1 86 . 1 1 59 59 ALA C C 13 179.632 0.3 . 1 . . . . 59 ALA C . 25367 1 87 . 1 1 59 59 ALA CA C 13 54.112 0.3 . 1 . . . . 59 ALA CA . 25367 1 88 . 1 1 59 59 ALA CB C 13 18.153 0.3 . 1 . . . . 59 ALA CB . 25367 1 89 . 1 1 59 59 ALA N N 15 118.827 0.3 . 1 . . . . 59 ALA N . 25367 1 90 . 1 1 60 60 LEU H H 1 7.949 0.020 . 1 . . . . 60 LEU H . 25367 1 91 . 1 1 60 60 LEU C C 13 178.392 0.3 . 1 . . . . 60 LEU C . 25367 1 92 . 1 1 60 60 LEU CA C 13 57.517 0.3 . 1 . . . . 60 LEU CA . 25367 1 93 . 1 1 60 60 LEU CB C 13 41.208 0.3 . 1 . . . . 60 LEU CB . 25367 1 94 . 1 1 60 60 LEU N N 15 118.664 0.3 . 1 . . . . 60 LEU N . 25367 1 95 . 1 1 61 61 VAL H H 1 7.998 0.020 . 1 . . . . 61 VAL H . 25367 1 96 . 1 1 61 61 VAL C C 13 179.870 0.3 . 1 . . . . 61 VAL C . 25367 1 97 . 1 1 61 61 VAL CA C 13 66.145 0.3 . 1 . . . . 61 VAL CA . 25367 1 98 . 1 1 61 61 VAL CB C 13 30.063 0.3 . 1 . . . . 61 VAL CB . 25367 1 99 . 1 1 61 61 VAL N N 15 115.669 0.3 . 1 . . . . 61 VAL N . 25367 1 100 . 1 1 62 62 GLN H H 1 7.824 0.020 . 1 . . . . 62 GLN H . 25367 1 101 . 1 1 62 62 GLN C C 13 178.810 0.3 . 1 . . . . 62 GLN C . 25367 1 102 . 1 1 62 62 GLN CA C 13 58.200 0.3 . 1 . . . . 62 GLN CA . 25367 1 103 . 1 1 62 62 GLN CB C 13 27.179 0.3 . 1 . . . . 62 GLN CB . 25367 1 104 . 1 1 62 62 GLN N N 15 120.672 0.3 . 1 . . . . 62 GLN N . 25367 1 105 . 1 1 63 63 LEU H H 1 7.518 0.020 . 1 . . . . 63 LEU H . 25367 1 106 . 1 1 63 63 LEU C C 13 177.839 0.3 . 1 . . . . 63 LEU C . 25367 1 107 . 1 1 63 63 LEU CA C 13 56.299 0.3 . 1 . . . . 63 LEU CA . 25367 1 108 . 1 1 63 63 LEU CB C 13 39.613 0.3 . 1 . . . . 63 LEU CB . 25367 1 109 . 1 1 63 63 LEU N N 15 119.193 0.3 . 1 . . . . 63 LEU N . 25367 1 110 . 1 1 64 64 LEU H H 1 7.439 0.020 . 1 . . . . 64 LEU H . 25367 1 111 . 1 1 64 64 LEU C C 13 176.982 0.3 . 1 . . . . 64 LEU C . 25367 1 112 . 1 1 64 64 LEU CA C 13 55.744 0.3 . 1 . . . . 64 LEU CA . 25367 1 113 . 1 1 64 64 LEU CB C 13 38.983 0.3 . 1 . . . . 64 LEU CB . 25367 1 114 . 1 1 64 64 LEU N N 15 115.500 0.3 . 1 . . . . 64 LEU N . 25367 1 115 . 1 1 65 65 SER H H 1 7.421 0.020 . 1 . . . . 65 SER H . 25367 1 116 . 1 1 65 65 SER C C 13 174.290 0.3 . 1 . . . . 65 SER C . 25367 1 117 . 1 1 65 65 SER CA C 13 57.451 0.3 . 1 . . . . 65 SER CA . 25367 1 118 . 1 1 65 65 SER CB C 13 62.972 0.3 . 1 . . . . 65 SER CB . 25367 1 119 . 1 1 65 65 SER N N 15 111.337 0.3 . 1 . . . . 65 SER N . 25367 1 120 . 1 1 66 66 SER H H 1 7.565 0.020 . 1 . . . . 66 SER H . 25367 1 121 . 1 1 66 66 SER C C 13 174.837 0.3 . 1 . . . . 66 SER C . 25367 1 122 . 1 1 66 66 SER CA C 13 56.434 0.3 . 1 . . . . 66 SER CA . 25367 1 123 . 1 1 66 66 SER CB C 13 64.461 0.3 . 1 . . . . 66 SER CB . 25367 1 124 . 1 1 66 66 SER N N 15 118.249 0.3 . 1 . . . . 66 SER N . 25367 1 125 . 1 1 68 68 ASN H H 1 8.209 0.020 . 1 . . . . 68 ASN H . 25367 1 126 . 1 1 68 68 ASN C C 13 174.704 0.3 . 1 . . . . 68 ASN C . 25367 1 127 . 1 1 68 68 ASN CA C 13 52.598 0.3 . 1 . . . . 68 ASN CA . 25367 1 128 . 1 1 68 68 ASN CB C 13 39.151 0.3 . 1 . . . . 68 ASN CB . 25367 1 129 . 1 1 68 68 ASN N N 15 120.092 0.3 . 1 . . . . 68 ASN N . 25367 1 130 . 1 1 69 69 GLU H H 1 8.931 0.020 . 1 . . . . 69 GLU H . 25367 1 131 . 1 1 69 69 GLU C C 13 177.811 0.3 . 1 . . . . 69 GLU C . 25367 1 132 . 1 1 69 69 GLU CA C 13 59.294 0.3 . 1 . . . . 69 GLU CA . 25367 1 133 . 1 1 69 69 GLU CB C 13 28.807 0.3 . 1 . . . . 69 GLU CB . 25367 1 134 . 1 1 69 69 GLU N N 15 125.845 0.3 . 1 . . . . 69 GLU N . 25367 1 135 . 1 1 70 70 GLN H H 1 8.044 0.020 . 1 . . . . 70 GLN H . 25367 1 136 . 1 1 70 70 GLN C C 13 178.219 0.3 . 1 . . . . 70 GLN C . 25367 1 137 . 1 1 70 70 GLN CA C 13 58.937 0.3 . 1 . . . . 70 GLN CA . 25367 1 138 . 1 1 70 70 GLN CB C 13 27.279 0.3 . 1 . . . . 70 GLN CB . 25367 1 139 . 1 1 70 70 GLN N N 15 119.300 0.3 . 1 . . . . 70 GLN N . 25367 1 140 . 1 1 71 71 ILE H H 1 7.509 0.020 . 1 . . . . 71 ILE H . 25367 1 141 . 1 1 71 71 ILE C C 13 177.811 0.3 . 1 . . . . 71 ILE C . 25367 1 142 . 1 1 71 71 ILE N N 15 120.036 0.3 . 1 . . . . 71 ILE N . 25367 1 143 . 1 1 72 72 LEU H H 1 7.927 0.020 . 1 . . . . 72 LEU H . 25367 1 144 . 1 1 72 72 LEU C C 13 178.852 0.3 . 1 . . . . 72 LEU C . 25367 1 145 . 1 1 72 72 LEU CA C 13 58.338 0.3 . 1 . . . . 72 LEU CA . 25367 1 146 . 1 1 72 72 LEU CB C 13 42.191 0.3 . 1 . . . . 72 LEU CB . 25367 1 147 . 1 1 72 72 LEU N N 15 118.664 0.3 . 1 . . . . 72 LEU N . 25367 1 148 . 1 1 73 73 GLN H H 1 7.815 0.020 . 1 . . . . 73 GLN H . 25367 1 149 . 1 1 73 73 GLN C C 13 177.755 0.3 . 1 . . . . 73 GLN C . 25367 1 150 . 1 1 73 73 GLN CA C 13 59.431 0.3 . 1 . . . . 73 GLN CA . 25367 1 151 . 1 1 73 73 GLN CB C 13 27.989 0.3 . 1 . . . . 73 GLN CB . 25367 1 152 . 1 1 73 73 GLN N N 15 115.236 0.3 . 1 . . . . 73 GLN N . 25367 1 153 . 1 1 74 74 GLU H H 1 7.557 0.020 . 1 . . . . 74 GLU H . 25367 1 154 . 1 1 74 74 GLU C C 13 179.326 0.3 . 1 . . . . 74 GLU C . 25367 1 155 . 1 1 74 74 GLU CA C 13 58.481 0.3 . 1 . . . . 74 GLU CA . 25367 1 156 . 1 1 74 74 GLU CB C 13 28.529 0.3 . 1 . . . . 74 GLU CB . 25367 1 157 . 1 1 74 74 GLU N N 15 117.930 0.3 . 1 . . . . 74 GLU N . 25367 1 158 . 1 1 75 75 ALA H H 1 8.641 0.020 . 1 . . . . 75 ALA H . 25367 1 159 . 1 1 75 75 ALA C C 13 179.627 0.3 . 1 . . . . 75 ALA C . 25367 1 160 . 1 1 75 75 ALA CA C 13 54.918 0.3 . 1 . . . . 75 ALA CA . 25367 1 161 . 1 1 75 75 ALA CB C 13 17.256 0.3 . 1 . . . . 75 ALA CB . 25367 1 162 . 1 1 75 75 ALA N N 15 122.498 0.3 . 1 . . . . 75 ALA N . 25367 1 163 . 1 1 76 76 LEU H H 1 8.424 0.020 . 1 . . . . 76 LEU H . 25367 1 164 . 1 1 76 76 LEU C C 13 179.334 0.3 . 1 . . . . 76 LEU C . 25367 1 165 . 1 1 76 76 LEU CA C 13 57.466 0.3 . 1 . . . . 76 LEU CA . 25367 1 166 . 1 1 76 76 LEU CB C 13 41.515 0.3 . 1 . . . . 76 LEU CB . 25367 1 167 . 1 1 76 76 LEU N N 15 117.663 0.3 . 1 . . . . 76 LEU N . 25367 1 168 . 1 1 77 77 TRP H H 1 8.280 0.020 . 1 . . . . 77 TRP H . 25367 1 169 . 1 1 77 77 TRP HE1 H 1 9.278 0.020 . 1 . . . . 77 TRP HE1 . 25367 1 170 . 1 1 77 77 TRP C C 13 179.304 0.3 . 1 . . . . 77 TRP C . 25367 1 171 . 1 1 77 77 TRP CA C 13 60.396 0.3 . 1 . . . . 77 TRP CA . 25367 1 172 . 1 1 77 77 TRP N N 15 121.937 0.3 . 1 . . . . 77 TRP N . 25367 1 173 . 1 1 77 77 TRP NE1 N 15 127.339 0.3 . 1 . . . . 77 TRP NE1 . 25367 1 174 . 1 1 78 78 ALA H H 1 8.382 0.020 . 1 . . . . 78 ALA H . 25367 1 175 . 1 1 78 78 ALA C C 13 179.285 0.3 . 1 . . . . 78 ALA C . 25367 1 176 . 1 1 78 78 ALA CA C 13 55.333 0.3 . 1 . . . . 78 ALA CA . 25367 1 177 . 1 1 78 78 ALA CB C 13 16.778 0.3 . 1 . . . . 78 ALA CB . 25367 1 178 . 1 1 78 78 ALA N N 15 121.458 0.3 . 1 . . . . 78 ALA N . 25367 1 179 . 1 1 79 79 LEU H H 1 8.496 0.020 . 1 . . . . 79 LEU H . 25367 1 180 . 1 1 79 79 LEU C C 13 178.751 0.3 . 1 . . . . 79 LEU C . 25367 1 181 . 1 1 79 79 LEU CA C 13 57.662 0.3 . 1 . . . . 79 LEU CA . 25367 1 182 . 1 1 79 79 LEU CB C 13 41.247 0.3 . 1 . . . . 79 LEU CB . 25367 1 183 . 1 1 79 79 LEU N N 15 116.664 0.3 . 1 . . . . 79 LEU N . 25367 1 184 . 1 1 80 80 SER H H 1 8.271 0.020 . 1 . . . . 80 SER H . 25367 1 185 . 1 1 80 80 SER C C 13 175.039 0.3 . 1 . . . . 80 SER C . 25367 1 186 . 1 1 80 80 SER CB C 13 61.899 0.3 . 1 . . . . 80 SER CB . 25367 1 187 . 1 1 80 80 SER N N 15 113.604 0.3 . 1 . . . . 80 SER N . 25367 1 188 . 1 1 82 82 ILE H H 1 8.107 0.020 . 1 . . . . 82 ILE H . 25367 1 189 . 1 1 82 82 ILE C C 13 177.575 0.3 . 1 . . . . 82 ILE C . 25367 1 190 . 1 1 82 82 ILE CA C 13 64.484 0.3 . 1 . . . . 82 ILE CA . 25367 1 191 . 1 1 82 82 ILE CB C 13 37.138 0.3 . 1 . . . . 82 ILE CB . 25367 1 192 . 1 1 82 82 ILE N N 15 120.674 0.3 . 1 . . . . 82 ILE N . 25367 1 193 . 1 1 83 83 ALA H H 1 8.060 0.020 . 1 . . . . 83 ALA H . 25367 1 194 . 1 1 83 83 ALA CA C 13 53.768 0.3 . 1 . . . . 83 ALA CA . 25367 1 195 . 1 1 83 83 ALA CB C 13 17.329 0.3 . 1 . . . . 83 ALA CB . 25367 1 196 . 1 1 83 83 ALA N N 15 118.335 0.3 . 1 . . . . 83 ALA N . 25367 1 197 . 1 1 84 84 SER H H 1 7.479 0.020 . 1 . . . . 84 SER H . 25367 1 198 . 1 1 84 84 SER CA C 13 59.434 0.3 . 1 . . . . 84 SER CA . 25367 1 199 . 1 1 84 84 SER CB C 13 62.719 0.3 . 1 . . . . 84 SER CB . 25367 1 200 . 1 1 84 84 SER N N 15 111.218 0.3 . 1 . . . . 84 SER N . 25367 1 201 . 1 1 85 85 GLY H H 1 7.857 0.020 . 1 . . . . 85 GLY H . 25367 1 202 . 1 1 85 85 GLY C C 13 174.004 0.3 . 1 . . . . 85 GLY C . 25367 1 203 . 1 1 85 85 GLY CA C 13 45.744 0.3 . 1 . . . . 85 GLY CA . 25367 1 204 . 1 1 85 85 GLY N N 15 108.699 0.3 . 1 . . . . 85 GLY N . 25367 1 205 . 1 1 86 86 GLY H H 1 7.339 0.020 . 1 . . . . 86 GLY H . 25367 1 206 . 1 1 86 86 GLY C C 13 174.347 0.3 . 1 . . . . 86 GLY C . 25367 1 207 . 1 1 86 86 GLY CA C 13 44.259 0.3 . 1 . . . . 86 GLY CA . 25367 1 208 . 1 1 86 86 GLY N N 15 105.747 0.3 . 1 . . . . 86 GLY N . 25367 1 209 . 1 1 88 88 GLU H H 1 9.137 0.020 . 1 . . . . 88 GLU H . 25367 1 210 . 1 1 88 88 GLU C C 13 179.104 0.3 . 1 . . . . 88 GLU C . 25367 1 211 . 1 1 88 88 GLU CA C 13 59.276 0.3 . 1 . . . . 88 GLU CA . 25367 1 212 . 1 1 88 88 GLU CB C 13 27.880 0.3 . 1 . . . . 88 GLU CB . 25367 1 213 . 1 1 88 88 GLU N N 15 120.775 0.3 . 1 . . . . 88 GLU N . 25367 1 214 . 1 1 89 89 GLN H H 1 8.272 0.020 . 1 . . . . 89 GLN H . 25367 1 215 . 1 1 89 89 GLN C C 13 177.814 0.3 . 1 . . . . 89 GLN C . 25367 1 216 . 1 1 89 89 GLN N N 15 121.722 0.3 . 1 . . . . 89 GLN N . 25367 1 217 . 1 1 90 90 THR H H 1 7.989 0.020 . 1 . . . . 90 THR H . 25367 1 218 . 1 1 90 90 THR C C 13 176.651 0.3 . 1 . . . . 90 THR C . 25367 1 219 . 1 1 90 90 THR N N 15 114.875 0.3 . 1 . . . . 90 THR N . 25367 1 220 . 1 1 91 91 GLN H H 1 8.131 0.020 . 1 . . . . 91 GLN H . 25367 1 221 . 1 1 91 91 GLN C C 13 177.124 0.3 . 1 . . . . 91 GLN C . 25367 1 222 . 1 1 91 91 GLN CA C 13 57.782 0.3 . 1 . . . . 91 GLN CA . 25367 1 223 . 1 1 91 91 GLN CB C 13 27.046 0.3 . 1 . . . . 91 GLN CB . 25367 1 224 . 1 1 91 91 GLN N N 15 120.354 0.3 . 1 . . . . 91 GLN N . 25367 1 225 . 1 1 92 92 ALA H H 1 7.628 0.020 . 1 . . . . 92 ALA H . 25367 1 226 . 1 1 92 92 ALA C C 13 180.469 0.3 . 1 . . . . 92 ALA C . 25367 1 227 . 1 1 92 92 ALA CA C 13 54.654 0.3 . 1 . . . . 92 ALA CA . 25367 1 228 . 1 1 92 92 ALA CB C 13 16.524 0.3 . 1 . . . . 92 ALA CB . 25367 1 229 . 1 1 92 92 ALA N N 15 120.518 0.3 . 1 . . . . 92 ALA N . 25367 1 230 . 1 1 93 93 VAL H H 1 7.410 0.020 . 1 . . . . 93 VAL H . 25367 1 231 . 1 1 93 93 VAL C C 13 177.383 0.3 . 1 . . . . 93 VAL C . 25367 1 232 . 1 1 93 93 VAL CA C 13 66.487 0.3 . 1 . . . . 93 VAL CA . 25367 1 233 . 1 1 93 93 VAL CB C 13 30.710 0.3 . 1 . . . . 93 VAL CB . 25367 1 234 . 1 1 93 93 VAL N N 15 118.358 0.3 . 1 . . . . 93 VAL N . 25367 1 235 . 1 1 94 94 ILE H H 1 7.695 0.020 . 1 . . . . 94 ILE H . 25367 1 236 . 1 1 94 94 ILE C C 13 181.178 0.3 . 1 . . . . 94 ILE C . 25367 1 237 . 1 1 94 94 ILE CA C 13 65.177 0.3 . 1 . . . . 94 ILE CA . 25367 1 238 . 1 1 94 94 ILE CB C 13 36.871 0.3 . 1 . . . . 94 ILE CB . 25367 1 239 . 1 1 94 94 ILE N N 15 120.147 0.3 . 1 . . . . 94 ILE N . 25367 1 240 . 1 1 95 95 ASP H H 1 9.246 0.020 . 1 . . . . 95 ASP H . 25367 1 241 . 1 1 95 95 ASP C C 13 176.995 0.3 . 1 . . . . 95 ASP C . 25367 1 242 . 1 1 95 95 ASP CA C 13 56.700 0.3 . 1 . . . . 95 ASP CA . 25367 1 243 . 1 1 95 95 ASP CB C 13 39.070 0.3 . 1 . . . . 95 ASP CB . 25367 1 244 . 1 1 95 95 ASP N N 15 123.208 0.3 . 1 . . . . 95 ASP N . 25367 1 245 . 1 1 96 96 ALA H H 1 7.384 0.020 . 1 . . . . 96 ALA H . 25367 1 246 . 1 1 96 96 ALA C C 13 176.761 0.3 . 1 . . . . 96 ALA C . 25367 1 247 . 1 1 96 96 ALA CA C 13 51.774 0.3 . 1 . . . . 96 ALA CA . 25367 1 248 . 1 1 96 96 ALA CB C 13 17.907 0.3 . 1 . . . . 96 ALA CB . 25367 1 249 . 1 1 96 96 ALA N N 15 119.298 0.3 . 1 . . . . 96 ALA N . 25367 1 250 . 1 1 97 97 GLY H H 1 7.972 0.020 . 1 . . . . 97 GLY H . 25367 1 251 . 1 1 97 97 GLY C C 13 176.228 0.3 . 1 . . . . 97 GLY C . 25367 1 252 . 1 1 97 97 GLY CA C 13 45.063 0.3 . 1 . . . . 97 GLY CA . 25367 1 253 . 1 1 97 97 GLY N N 15 104.051 0.3 . 1 . . . . 97 GLY N . 25367 1 254 . 1 1 98 98 ALA H H 1 7.133 0.020 . 1 . . . . 98 ALA H . 25367 1 255 . 1 1 98 98 ALA C C 13 178.517 0.3 . 1 . . . . 98 ALA C . 25367 1 256 . 1 1 98 98 ALA CA C 13 54.520 0.3 . 1 . . . . 98 ALA CA . 25367 1 257 . 1 1 98 98 ALA CB C 13 19.419 0.3 . 1 . . . . 98 ALA CB . 25367 1 258 . 1 1 98 98 ALA N N 15 116.982 0.3 . 1 . . . . 98 ALA N . 25367 1 259 . 1 1 99 99 LEU H H 1 9.273 0.020 . 1 . . . . 99 LEU H . 25367 1 260 . 1 1 99 99 LEU C C 13 175.644 0.3 . 1 . . . . 99 LEU C . 25367 1 261 . 1 1 99 99 LEU CA C 13 59.907 0.3 . 1 . . . . 99 LEU CA . 25367 1 262 . 1 1 99 99 LEU CB C 13 37.690 0.3 . 1 . . . . 99 LEU CB . 25367 1 263 . 1 1 99 99 LEU N N 15 113.085 0.3 . 1 . . . . 99 LEU N . 25367 1 264 . 1 1 101 101 ALA H H 1 6.481 0.020 . 1 . . . . 101 ALA H . 25367 1 265 . 1 1 101 101 ALA C C 13 179.805 0.3 . 1 . . . . 101 ALA C . 25367 1 266 . 1 1 101 101 ALA CA C 13 54.103 0.3 . 1 . . . . 101 ALA CA . 25367 1 267 . 1 1 101 101 ALA CB C 13 18.425 0.3 . 1 . . . . 101 ALA CB . 25367 1 268 . 1 1 101 101 ALA N N 15 118.037 0.3 . 1 . . . . 101 ALA N . 25367 1 269 . 1 1 102 102 LEU H H 1 8.218 0.020 . 1 . . . . 102 LEU H . 25367 1 270 . 1 1 102 102 LEU C C 13 178.459 0.3 . 1 . . . . 102 LEU C . 25367 1 271 . 1 1 102 102 LEU CA C 13 57.476 0.3 . 1 . . . . 102 LEU CA . 25367 1 272 . 1 1 102 102 LEU CB C 13 41.228 0.3 . 1 . . . . 102 LEU CB . 25367 1 273 . 1 1 102 102 LEU N N 15 118.388 0.3 . 1 . . . . 102 LEU N . 25367 1 274 . 1 1 103 103 VAL H H 1 8.178 0.020 . 1 . . . . 103 VAL H . 25367 1 275 . 1 1 103 103 VAL C C 13 179.830 0.3 . 1 . . . . 103 VAL C . 25367 1 276 . 1 1 103 103 VAL CA C 13 66.418 0.3 . 1 . . . . 103 VAL CA . 25367 1 277 . 1 1 103 103 VAL CB C 13 30.173 0.3 . 1 . . . . 103 VAL CB . 25367 1 278 . 1 1 103 103 VAL N N 15 115.925 0.3 . 1 . . . . 103 VAL N . 25367 1 279 . 1 1 104 104 GLN H H 1 7.628 0.020 . 1 . . . . 104 GLN H . 25367 1 280 . 1 1 104 104 GLN C C 13 178.881 0.3 . 1 . . . . 104 GLN C . 25367 1 281 . 1 1 104 104 GLN CA C 13 58.332 0.3 . 1 . . . . 104 GLN CA . 25367 1 282 . 1 1 104 104 GLN CB C 13 27.294 0.3 . 1 . . . . 104 GLN CB . 25367 1 283 . 1 1 104 104 GLN N N 15 119.668 0.3 . 1 . . . . 104 GLN N . 25367 1 284 . 1 1 105 105 LEU H H 1 7.486 0.020 . 1 . . . . 105 LEU H . 25367 1 285 . 1 1 105 105 LEU C C 13 177.588 0.3 . 1 . . . . 105 LEU C . 25367 1 286 . 1 1 105 105 LEU CA C 13 56.271 0.3 . 1 . . . . 105 LEU CA . 25367 1 287 . 1 1 105 105 LEU CB C 13 40.437 0.3 . 1 . . . . 105 LEU CB . 25367 1 288 . 1 1 105 105 LEU N N 15 119.037 0.3 . 1 . . . . 105 LEU N . 25367 1 289 . 1 1 106 106 LEU H H 1 7.369 0.020 . 1 . . . . 106 LEU H . 25367 1 290 . 1 1 106 106 LEU C C 13 176.818 0.3 . 1 . . . . 106 LEU C . 25367 1 291 . 1 1 106 106 LEU CA C 13 55.624 0.3 . 1 . . . . 106 LEU CA . 25367 1 292 . 1 1 106 106 LEU CB C 13 39.188 0.3 . 1 . . . . 106 LEU CB . 25367 1 293 . 1 1 106 106 LEU N N 15 115.449 0.3 . 1 . . . . 106 LEU N . 25367 1 294 . 1 1 107 107 SER H H 1 7.345 0.020 . 1 . . . . 107 SER H . 25367 1 295 . 1 1 107 107 SER C C 13 174.176 0.3 . 1 . . . . 107 SER C . 25367 1 296 . 1 1 107 107 SER CA C 13 57.742 0.3 . 1 . . . . 107 SER CA . 25367 1 297 . 1 1 107 107 SER CB C 13 63.002 0.3 . 1 . . . . 107 SER CB . 25367 1 298 . 1 1 107 107 SER N N 15 111.442 0.3 . 1 . . . . 107 SER N . 25367 1 299 . 1 1 108 108 SER H H 1 7.541 0.020 . 1 . . . . 108 SER H . 25367 1 300 . 1 1 108 108 SER C C 13 174.648 0.3 . 1 . . . . 108 SER C . 25367 1 301 . 1 1 108 108 SER CA C 13 56.427 0.3 . 1 . . . . 108 SER CA . 25367 1 302 . 1 1 108 108 SER CB C 13 64.245 0.3 . 1 . . . . 108 SER CB . 25367 1 303 . 1 1 108 108 SER N N 15 118.618 0.3 . 1 . . . . 108 SER N . 25367 1 304 . 1 1 110 110 ASN H H 1 8.201 0.020 . 1 . . . . 110 ASN H . 25367 1 305 . 1 1 110 110 ASN C C 13 175.172 0.3 . 1 . . . . 110 ASN C . 25367 1 306 . 1 1 110 110 ASN CA C 13 52.347 0.3 . 1 . . . . 110 ASN CA . 25367 1 307 . 1 1 110 110 ASN CB C 13 38.152 0.3 . 1 . . . . 110 ASN CB . 25367 1 308 . 1 1 110 110 ASN N N 15 120.146 0.3 . 1 . . . . 110 ASN N . 25367 1 309 . 1 1 111 111 GLU H H 1 8.829 0.020 . 1 . . . . 111 GLU H . 25367 1 310 . 1 1 111 111 GLU C C 13 178.106 0.3 . 1 . . . . 111 GLU C . 25367 1 311 . 1 1 111 111 GLU CA C 13 59.173 0.3 . 1 . . . . 111 GLU CA . 25367 1 312 . 1 1 111 111 GLU CB C 13 29.080 0.3 . 1 . . . . 111 GLU CB . 25367 1 313 . 1 1 111 111 GLU N N 15 125.369 0.3 . 1 . . . . 111 GLU N . 25367 1 314 . 1 1 112 112 GLN H H 1 8.100 0.020 . 1 . . . . 112 GLN H . 25367 1 315 . 1 1 112 112 GLN C C 13 177.800 0.3 . 1 . . . . 112 GLN C . 25367 1 316 . 1 1 112 112 GLN CA C 13 58.588 0.3 . 1 . . . . 112 GLN CA . 25367 1 317 . 1 1 112 112 GLN CB C 13 27.545 0.3 . 1 . . . . 112 GLN CB . 25367 1 318 . 1 1 112 112 GLN N N 15 118.930 0.3 . 1 . . . . 112 GLN N . 25367 1 319 . 1 1 113 113 ILE H H 1 7.191 0.020 . 1 . . . . 113 ILE H . 25367 1 320 . 1 1 113 113 ILE C C 13 177.285 0.3 . 1 . . . . 113 ILE C . 25367 1 321 . 1 1 113 113 ILE CA C 13 63.672 0.3 . 1 . . . . 113 ILE CA . 25367 1 322 . 1 1 113 113 ILE CB C 13 35.607 0.3 . 1 . . . . 113 ILE CB . 25367 1 323 . 1 1 113 113 ILE N N 15 119.668 0.3 . 1 . . . . 113 ILE N . 25367 1 324 . 1 1 114 114 LEU H H 1 8.051 0.020 . 1 . . . . 114 LEU H . 25367 1 325 . 1 1 114 114 LEU C C 13 178.699 0.3 . 1 . . . . 114 LEU C . 25367 1 326 . 1 1 114 114 LEU CA C 13 57.948 0.3 . 1 . . . . 114 LEU CA . 25367 1 327 . 1 1 114 114 LEU CB C 13 42.099 0.3 . 1 . . . . 114 LEU CB . 25367 1 328 . 1 1 114 114 LEU N N 15 118.478 0.3 . 1 . . . . 114 LEU N . 25367 1 329 . 1 1 115 115 GLN H H 1 7.753 0.020 . 1 . . . . 115 GLN H . 25367 1 330 . 1 1 115 115 GLN C C 13 177.932 0.3 . 1 . . . . 115 GLN C . 25367 1 331 . 1 1 115 115 GLN CA C 13 59.310 0.3 . 1 . . . . 115 GLN CA . 25367 1 332 . 1 1 115 115 GLN CB C 13 27.462 0.3 . 1 . . . . 115 GLN CB . 25367 1 333 . 1 1 115 115 GLN N N 15 115.345 0.3 . 1 . . . . 115 GLN N . 25367 1 334 . 1 1 116 116 TYR H H 1 7.784 0.020 . 1 . . . . 116 TYR H . 25367 1 335 . 1 1 116 116 TYR C C 13 178.456 0.3 . 1 . . . . 116 TYR C . 25367 1 336 . 1 1 116 116 TYR CA C 13 60.123 0.3 . 1 . . . . 116 TYR CA . 25367 1 337 . 1 1 116 116 TYR CB C 13 37.280 0.3 . 1 . . . . 116 TYR CB . 25367 1 338 . 1 1 116 116 TYR N N 15 115.818 0.3 . 1 . . . . 116 TYR N . 25367 1 339 . 1 1 117 117 ALA H H 1 8.947 0.020 . 1 . . . . 117 ALA H . 25367 1 340 . 1 1 117 117 ALA C C 13 178.867 0.3 . 1 . . . . 117 ALA C . 25367 1 341 . 1 1 117 117 ALA CA C 13 55.064 0.3 . 1 . . . . 117 ALA CA . 25367 1 342 . 1 1 117 117 ALA CB C 13 16.906 0.3 . 1 . . . . 117 ALA CB . 25367 1 343 . 1 1 117 117 ALA N N 15 123.835 0.3 . 1 . . . . 117 ALA N . 25367 1 344 . 1 1 118 118 LEU H H 1 8.187 0.020 . 1 . . . . 118 LEU H . 25367 1 345 . 1 1 118 118 LEU C C 13 178.413 0.3 . 1 . . . . 118 LEU C . 25367 1 346 . 1 1 118 118 LEU CA C 13 57.527 0.3 . 1 . . . . 118 LEU CA . 25367 1 347 . 1 1 118 118 LEU CB C 13 41.369 0.3 . 1 . . . . 118 LEU CB . 25367 1 348 . 1 1 118 118 LEU N N 15 118.456 0.3 . 1 . . . . 118 LEU N . 25367 1 349 . 1 1 119 119 ILE H H 1 7.942 0.020 . 1 . . . . 119 ILE H . 25367 1 350 . 1 1 119 119 ILE C C 13 178.665 0.3 . 1 . . . . 119 ILE C . 25367 1 351 . 1 1 119 119 ILE CA C 13 65.141 0.3 . 1 . . . . 119 ILE CA . 25367 1 352 . 1 1 119 119 ILE CB C 13 37.113 0.3 . 1 . . . . 119 ILE CB . 25367 1 353 . 1 1 119 119 ILE N N 15 118.775 0.3 . 1 . . . . 119 ILE N . 25367 1 354 . 1 1 120 120 ALA H H 1 7.856 0.020 . 1 . . . . 120 ALA H . 25367 1 355 . 1 1 120 120 ALA C C 13 178.990 0.3 . 1 . . . . 120 ALA C . 25367 1 356 . 1 1 120 120 ALA CA C 13 55.436 0.3 . 1 . . . . 120 ALA CA . 25367 1 357 . 1 1 120 120 ALA CB C 13 16.905 0.3 . 1 . . . . 120 ALA CB . 25367 1 358 . 1 1 120 120 ALA N N 15 120.831 0.3 . 1 . . . . 120 ALA N . 25367 1 359 . 1 1 121 121 LEU H H 1 8.374 0.020 . 1 . . . . 121 LEU H . 25367 1 360 . 1 1 121 121 LEU C C 13 178.990 0.3 . 1 . . . . 121 LEU C . 25367 1 361 . 1 1 121 121 LEU CA C 13 57.795 0.3 . 1 . . . . 121 LEU CA . 25367 1 362 . 1 1 121 121 LEU CB C 13 41.243 0.3 . 1 . . . . 121 LEU CB . 25367 1 363 . 1 1 121 121 LEU N N 15 117.506 0.3 . 1 . . . . 121 LEU N . 25367 1 364 . 1 1 122 122 ASN H H 1 8.657 0.020 . 1 . . . . 122 ASN H . 25367 1 365 . 1 1 122 122 ASN C C 13 177.409 0.3 . 1 . . . . 122 ASN C . 25367 1 366 . 1 1 122 122 ASN N N 15 119.355 0.3 . 1 . . . . 122 ASN N . 25367 1 367 . 1 1 124 124 ILE H H 1 7.832 0.020 . 1 . . . . 124 ILE H . 25367 1 368 . 1 1 124 124 ILE C C 13 176.459 0.3 . 1 . . . . 124 ILE C . 25367 1 369 . 1 1 124 124 ILE CA C 13 63.948 0.3 . 1 . . . . 124 ILE CA . 25367 1 370 . 1 1 124 124 ILE CB C 13 37.360 0.3 . 1 . . . . 124 ILE CB . 25367 1 371 . 1 1 124 124 ILE N N 15 118.404 0.3 . 1 . . . . 124 ILE N . 25367 1 372 . 1 1 125 125 ALA H H 1 8.205 0.020 . 1 . . . . 125 ALA H . 25367 1 373 . 1 1 125 125 ALA CB C 13 18.021 0.3 . 1 . . . . 125 ALA CB . 25367 1 374 . 1 1 125 125 ALA N N 15 118.563 0.3 . 1 . . . . 125 ALA N . 25367 1 375 . 1 1 128 128 GLY H H 1 7.474 0.020 . 1 . . . . 128 GLY H . 25367 1 376 . 1 1 128 128 GLY C C 13 173.944 0.3 . 1 . . . . 128 GLY C . 25367 1 377 . 1 1 128 128 GLY CA C 13 44.927 0.3 . 1 . . . . 128 GLY CA . 25367 1 378 . 1 1 128 128 GLY N N 15 103.901 0.3 . 1 . . . . 128 GLY N . 25367 1 379 . 1 1 129 129 ASN H H 1 8.483 0.020 . 1 . . . . 129 ASN H . 25367 1 380 . 1 1 129 129 ASN C C 13 177.405 0.3 . 1 . . . . 129 ASN C . 25367 1 381 . 1 1 129 129 ASN CA C 13 57.845 0.3 . 1 . . . . 129 ASN CA . 25367 1 382 . 1 1 129 129 ASN CB C 13 38.164 0.3 . 1 . . . . 129 ASN CB . 25367 1 383 . 1 1 129 129 ASN N N 15 119.090 0.3 . 1 . . . . 129 ASN N . 25367 1 384 . 1 1 130 130 GLU H H 1 9.056 0.020 . 1 . . . . 130 GLU H . 25367 1 385 . 1 1 130 130 GLU C C 13 178.749 0.3 . 1 . . . . 130 GLU C . 25367 1 386 . 1 1 130 130 GLU CA C 13 59.137 0.3 . 1 . . . . 130 GLU CA . 25367 1 387 . 1 1 130 130 GLU CB C 13 27.722 0.3 . 1 . . . . 130 GLU CB . 25367 1 388 . 1 1 130 130 GLU N N 15 120.725 0.3 . 1 . . . . 130 GLU N . 25367 1 389 . 1 1 131 131 GLN H H 1 8.366 0.020 . 1 . . . . 131 GLN H . 25367 1 390 . 1 1 131 131 GLN C C 13 177.753 0.3 . 1 . . . . 131 GLN C . 25367 1 391 . 1 1 131 131 GLN CA C 13 52.894 0.3 . 1 . . . . 131 GLN CA . 25367 1 392 . 1 1 131 131 GLN CB C 13 26.074 0.3 . 1 . . . . 131 GLN CB . 25367 1 393 . 1 1 131 131 GLN N N 15 121.045 0.3 . 1 . . . . 131 GLN N . 25367 1 394 . 1 1 133 133 GLN H H 1 8.287 0.020 . 1 . . . . 133 GLN H . 25367 1 395 . 1 1 133 133 GLN C C 13 177.291 0.3 . 1 . . . . 133 GLN C . 25367 1 396 . 1 1 133 133 GLN CA C 13 57.808 0.3 . 1 . . . . 133 GLN CA . 25367 1 397 . 1 1 133 133 GLN CB C 13 26.748 0.3 . 1 . . . . 133 GLN CB . 25367 1 398 . 1 1 133 133 GLN N N 15 120.566 0.3 . 1 . . . . 133 GLN N . 25367 1 399 . 1 1 134 134 ALA H H 1 7.707 0.020 . 1 . . . . 134 ALA H . 25367 1 400 . 1 1 134 134 ALA C C 13 180.512 0.3 . 1 . . . . 134 ALA C . 25367 1 401 . 1 1 134 134 ALA CA C 13 54.654 0.3 . 1 . . . . 134 ALA CA . 25367 1 402 . 1 1 134 134 ALA CB C 13 16.653 0.3 . 1 . . . . 134 ALA CB . 25367 1 403 . 1 1 134 134 ALA N N 15 120.906 0.3 . 1 . . . . 134 ALA N . 25367 1 404 . 1 1 135 135 VAL H H 1 7.548 0.020 . 1 . . . . 135 VAL H . 25367 1 405 . 1 1 135 135 VAL C C 13 177.431 0.3 . 1 . . . . 135 VAL C . 25367 1 406 . 1 1 135 135 VAL CA C 13 66.689 0.3 . 1 . . . . 135 VAL CA . 25367 1 407 . 1 1 135 135 VAL CB C 13 30.718 0.3 . 1 . . . . 135 VAL CB . 25367 1 408 . 1 1 135 135 VAL N N 15 119.248 0.3 . 1 . . . . 135 VAL N . 25367 1 409 . 1 1 136 136 ILE H H 1 7.738 0.020 . 1 . . . . 136 ILE H . 25367 1 410 . 1 1 136 136 ILE C C 13 181.215 0.3 . 1 . . . . 136 ILE C . 25367 1 411 . 1 1 136 136 ILE CA C 13 65.317 0.3 . 1 . . . . 136 ILE CA . 25367 1 412 . 1 1 136 136 ILE CB C 13 36.930 0.3 . 1 . . . . 136 ILE CB . 25367 1 413 . 1 1 136 136 ILE N N 15 119.986 0.3 . 1 . . . . 136 ILE N . 25367 1 414 . 1 1 137 137 ASP H H 1 9.136 0.020 . 1 . . . . 137 ASP H . 25367 1 415 . 1 1 137 137 ASP C C 13 176.995 0.3 . 1 . . . . 137 ASP C . 25367 1 416 . 1 1 137 137 ASP CA C 13 56.707 0.3 . 1 . . . . 137 ASP CA . 25367 1 417 . 1 1 137 137 ASP CB C 13 39.205 0.3 . 1 . . . . 137 ASP CB . 25367 1 418 . 1 1 137 137 ASP N N 15 122.884 0.3 . 1 . . . . 137 ASP N . 25367 1 419 . 1 1 138 138 ALA H H 1 7.462 0.020 . 1 . . . . 138 ALA H . 25367 1 420 . 1 1 138 138 ALA C C 13 176.933 0.3 . 1 . . . . 138 ALA C . 25367 1 421 . 1 1 138 138 ALA CA C 13 51.762 0.3 . 1 . . . . 138 ALA CA . 25367 1 422 . 1 1 138 138 ALA CB C 13 17.883 0.3 . 1 . . . . 138 ALA CB . 25367 1 423 . 1 1 138 138 ALA N N 15 119.512 0.3 . 1 . . . . 138 ALA N . 25367 1 424 . 1 1 139 139 GLY H H 1 7.971 0.020 . 1 . . . . 139 GLY H . 25367 1 425 . 1 1 139 139 GLY C C 13 176.196 0.3 . 1 . . . . 139 GLY C . 25367 1 426 . 1 1 139 139 GLY CA C 13 45.063 0.3 . 1 . . . . 139 GLY CA . 25367 1 427 . 1 1 139 139 GLY N N 15 103.977 0.3 . 1 . . . . 139 GLY N . 25367 1 428 . 1 1 140 140 ALA H H 1 7.099 0.020 . 1 . . . . 140 ALA H . 25367 1 429 . 1 1 140 140 ALA C C 13 178.516 0.3 . 1 . . . . 140 ALA C . 25367 1 430 . 1 1 140 140 ALA CA C 13 54.472 0.3 . 1 . . . . 140 ALA CA . 25367 1 431 . 1 1 140 140 ALA CB C 13 19.244 0.3 . 1 . . . . 140 ALA CB . 25367 1 432 . 1 1 140 140 ALA N N 15 116.860 0.3 . 1 . . . . 140 ALA N . 25367 1 433 . 1 1 141 141 LEU H H 1 9.207 0.020 . 1 . . . . 141 LEU H . 25367 1 434 . 1 1 141 141 LEU C C 13 175.467 0.3 . 1 . . . . 141 LEU C . 25367 1 435 . 1 1 141 141 LEU CA C 13 60.256 0.3 . 1 . . . . 141 LEU CA . 25367 1 436 . 1 1 141 141 LEU CB C 13 37.832 0.3 . 1 . . . . 141 LEU CB . 25367 1 437 . 1 1 141 141 LEU N N 15 113.868 0.3 . 1 . . . . 141 LEU N . 25367 1 438 . 1 1 143 143 ALA H H 1 6.583 0.020 . 1 . . . . 143 ALA H . 25367 1 439 . 1 1 143 143 ALA C C 13 180.013 0.3 . 1 . . . . 143 ALA C . 25367 1 440 . 1 1 143 143 ALA CA C 13 53.968 0.3 . 1 . . . . 143 ALA CA . 25367 1 441 . 1 1 143 143 ALA CB C 13 18.292 0.3 . 1 . . . . 143 ALA CB . 25367 1 442 . 1 1 143 143 ALA N N 15 118.511 0.3 . 1 . . . . 143 ALA N . 25367 1 443 . 1 1 144 144 LEU H H 1 8.272 0.020 . 1 . . . . 144 LEU H . 25367 1 444 . 1 1 144 144 LEU C C 13 178.457 0.3 . 1 . . . . 144 LEU C . 25367 1 445 . 1 1 144 144 LEU CA C 13 57.109 0.3 . 1 . . . . 144 LEU CA . 25367 1 446 . 1 1 144 144 LEU CB C 13 41.112 0.3 . 1 . . . . 144 LEU CB . 25367 1 447 . 1 1 144 144 LEU N N 15 118.247 0.3 . 1 . . . . 144 LEU N . 25367 1 448 . 1 1 145 145 VAL H H 1 8.122 0.020 . 1 . . . . 145 VAL H . 25367 1 449 . 1 1 145 145 VAL C C 13 179.220 0.3 . 1 . . . . 145 VAL C . 25367 1 450 . 1 1 145 145 VAL CA C 13 66.615 0.3 . 1 . . . . 145 VAL CA . 25367 1 451 . 1 1 145 145 VAL CB C 13 30.173 0.3 . 1 . . . . 145 VAL CB . 25367 1 452 . 1 1 145 145 VAL N N 15 115.873 0.3 . 1 . . . . 145 VAL N . 25367 1 453 . 1 1 146 146 GLN H H 1 7.455 0.020 . 1 . . . . 146 GLN H . 25367 1 454 . 1 1 146 146 GLN C C 13 178.867 0.3 . 1 . . . . 146 GLN C . 25367 1 455 . 1 1 146 146 GLN CA C 13 58.063 0.3 . 1 . . . . 146 GLN CA . 25367 1 456 . 1 1 146 146 GLN CB C 13 27.182 0.3 . 1 . . . . 146 GLN CB . 25367 1 457 . 1 1 146 146 GLN N N 15 117.877 0.3 . 1 . . . . 146 GLN N . 25367 1 458 . 1 1 147 147 LEU H H 1 7.503 0.020 . 1 . . . . 147 LEU H . 25367 1 459 . 1 1 147 147 LEU C C 13 177.811 0.3 . 1 . . . . 147 LEU C . 25367 1 460 . 1 1 147 147 LEU CA C 13 56.265 0.3 . 1 . . . . 147 LEU CA . 25367 1 461 . 1 1 147 147 LEU CB C 13 40.396 0.3 . 1 . . . . 147 LEU CB . 25367 1 462 . 1 1 147 147 LEU N N 15 119.723 0.3 . 1 . . . . 147 LEU N . 25367 1 463 . 1 1 148 148 LEU H H 1 7.368 0.020 . 1 . . . . 148 LEU H . 25367 1 464 . 1 1 148 148 LEU C C 13 176.875 0.3 . 1 . . . . 148 LEU C . 25367 1 465 . 1 1 148 148 LEU CA C 13 55.739 0.3 . 1 . . . . 148 LEU CA . 25367 1 466 . 1 1 148 148 LEU CB C 13 40.120 0.3 . 1 . . . . 148 LEU CB . 25367 1 467 . 1 1 148 148 LEU N N 15 116.189 0.3 . 1 . . . . 148 LEU N . 25367 1 468 . 1 1 149 149 SER H H 1 7.360 0.020 . 1 . . . . 149 SER H . 25367 1 469 . 1 1 149 149 SER C C 13 174.168 0.3 . 1 . . . . 149 SER C . 25367 1 470 . 1 1 149 149 SER CA C 13 57.886 0.3 . 1 . . . . 149 SER CA . 25367 1 471 . 1 1 149 149 SER CB C 13 63.001 0.3 . 1 . . . . 149 SER CB . 25367 1 472 . 1 1 149 149 SER N N 15 111.293 0.3 . 1 . . . . 149 SER N . 25367 1 473 . 1 1 150 150 SER H H 1 7.667 0.020 . 1 . . . . 150 SER H . 25367 1 474 . 1 1 150 150 SER C C 13 174.939 0.3 . 1 . . . . 150 SER C . 25367 1 475 . 1 1 150 150 SER CA C 13 56.458 0.3 . 1 . . . . 150 SER CA . 25367 1 476 . 1 1 150 150 SER CB C 13 64.378 0.3 . 1 . . . . 150 SER CB . 25367 1 477 . 1 1 150 150 SER N N 15 118.247 0.3 . 1 . . . . 150 SER N . 25367 1 478 . 1 1 152 152 ASN H H 1 8.280 0.020 . 1 . . . . 152 ASN H . 25367 1 479 . 1 1 152 152 ASN C C 13 175.471 0.3 . 1 . . . . 152 ASN C . 25367 1 480 . 1 1 152 152 ASN CA C 13 52.744 0.3 . 1 . . . . 152 ASN CA . 25367 1 481 . 1 1 152 152 ASN CB C 13 38.771 0.3 . 1 . . . . 152 ASN CB . 25367 1 482 . 1 1 152 152 ASN N N 15 121.093 0.3 . 1 . . . . 152 ASN N . 25367 1 483 . 1 1 153 153 GLY H H 1 8.908 0.020 . 1 . . . . 153 GLY H . 25367 1 484 . 1 1 153 153 GLY C C 13 175.434 0.3 . 1 . . . . 153 GLY C . 25367 1 485 . 1 1 153 153 GLY CA C 13 46.961 0.3 . 1 . . . . 153 GLY CA . 25367 1 486 . 1 1 153 153 GLY N N 15 114.141 0.3 . 1 . . . . 153 GLY N . 25367 1 487 . 1 1 154 154 GLN H H 1 8.081 0.020 . 1 . . . . 154 GLN H . 25367 1 488 . 1 1 154 154 GLN C C 13 178.724 0.3 . 1 . . . . 154 GLN C . 25367 1 489 . 1 1 154 154 GLN CA C 13 58.608 0.3 . 1 . . . . 154 GLN CA . 25367 1 490 . 1 1 154 154 GLN CB C 13 27.167 0.3 . 1 . . . . 154 GLN CB . 25367 1 491 . 1 1 154 154 GLN N N 15 120.962 0.3 . 1 . . . . 154 GLN N . 25367 1 492 . 1 1 155 155 ILE H H 1 7.548 0.020 . 1 . . . . 155 ILE H . 25367 1 493 . 1 1 155 155 ILE C C 13 179.569 0.3 . 1 . . . . 155 ILE C . 25367 1 494 . 1 1 155 155 ILE CA C 13 64.076 0.3 . 1 . . . . 155 ILE CA . 25367 1 495 . 1 1 155 155 ILE CB C 13 36.099 0.3 . 1 . . . . 155 ILE CB . 25367 1 496 . 1 1 155 155 ILE N N 15 120.670 0.3 . 1 . . . . 155 ILE N . 25367 1 497 . 1 1 156 156 LEU H H 1 8.389 0.020 . 1 . . . . 156 LEU H . 25367 1 498 . 1 1 156 156 LEU C C 13 178.516 0.3 . 1 . . . . 156 LEU C . 25367 1 499 . 1 1 156 156 LEU CA C 13 58.046 0.3 . 1 . . . . 156 LEU CA . 25367 1 500 . 1 1 156 156 LEU CB C 13 41.431 0.3 . 1 . . . . 156 LEU CB . 25367 1 501 . 1 1 156 156 LEU N N 15 121.411 0.3 . 1 . . . . 156 LEU N . 25367 1 502 . 1 1 157 157 GLN H H 1 7.935 0.020 . 1 . . . . 157 GLN H . 25367 1 503 . 1 1 157 157 GLN C C 13 178.537 0.3 . 1 . . . . 157 GLN C . 25367 1 504 . 1 1 157 157 GLN CA C 13 59.444 0.3 . 1 . . . . 157 GLN CA . 25367 1 505 . 1 1 157 157 GLN CB C 13 28.264 0.3 . 1 . . . . 157 GLN CB . 25367 1 506 . 1 1 157 157 GLN N N 15 116.664 0.3 . 1 . . . . 157 GLN N . 25367 1 507 . 1 1 158 158 GLU H H 1 7.722 0.020 . 1 . . . . 158 GLU H . 25367 1 508 . 1 1 158 158 GLU C C 13 179.568 0.3 . 1 . . . . 158 GLU C . 25367 1 509 . 1 1 158 158 GLU CA C 13 58.069 0.3 . 1 . . . . 158 GLU CA . 25367 1 510 . 1 1 158 158 GLU CB C 13 29.083 0.3 . 1 . . . . 158 GLU CB . 25367 1 511 . 1 1 158 158 GLU N N 15 117.138 0.3 . 1 . . . . 158 GLU N . 25367 1 512 . 1 1 159 159 THR H H 1 8.279 0.020 . 1 . . . . 159 THR H . 25367 1 513 . 1 1 159 159 THR C C 13 176.489 0.3 . 1 . . . . 159 THR C . 25367 1 514 . 1 1 159 159 THR N N 15 119.081 0.3 . 1 . . . . 159 THR N . 25367 1 515 . 1 1 160 160 LEU H H 1 8.515 0.020 . 1 . . . . 160 LEU H . 25367 1 516 . 1 1 160 160 LEU C C 13 179.697 0.3 . 1 . . . . 160 LEU C . 25367 1 517 . 1 1 160 160 LEU CA C 13 58.202 0.3 . 1 . . . . 160 LEU CA . 25367 1 518 . 1 1 160 160 LEU CB C 13 40.444 0.3 . 1 . . . . 160 LEU CB . 25367 1 519 . 1 1 160 160 LEU N N 15 121.988 0.3 . 1 . . . . 160 LEU N . 25367 1 520 . 1 1 161 161 TRP H H 1 7.948 0.020 . 1 . . . . 161 TRP H . 25367 1 521 . 1 1 161 161 TRP C C 13 178.278 0.3 . 1 . . . . 161 TRP C . 25367 1 522 . 1 1 161 161 TRP CA C 13 54.765 0.3 . 1 . . . . 161 TRP CA . 25367 1 523 . 1 1 161 161 TRP N N 15 121.070 0.3 . 1 . . . . 161 TRP N . 25367 1 524 . 1 1 162 162 ALA H H 1 8.084 0.020 . 1 . . . . 162 ALA H . 25367 1 525 . 1 1 162 162 ALA C C 13 180.741 0.3 . 1 . . . . 162 ALA C . 25367 1 526 . 1 1 162 162 ALA CA C 13 55.207 0.3 . 1 . . . . 162 ALA CA . 25367 1 527 . 1 1 162 162 ALA CB C 13 17.739 0.3 . 1 . . . . 162 ALA CB . 25367 1 528 . 1 1 162 162 ALA N N 15 122.044 0.3 . 1 . . . . 162 ALA N . 25367 1 529 . 1 1 163 163 LEU H H 1 8.398 0.020 . 1 . . . . 163 LEU H . 25367 1 530 . 1 1 163 163 LEU C C 13 178.515 0.3 . 1 . . . . 163 LEU C . 25367 1 531 . 1 1 163 163 LEU CA C 13 57.390 0.3 . 1 . . . . 163 LEU CA . 25367 1 532 . 1 1 163 163 LEU CB C 13 41.595 0.3 . 1 . . . . 163 LEU CB . 25367 1 533 . 1 1 163 163 LEU N N 15 115.349 0.3 . 1 . . . . 163 LEU N . 25367 1 534 . 1 1 164 164 THR H H 1 8.007 0.020 . 1 . . . . 164 THR H . 25367 1 535 . 1 1 164 164 THR CA C 13 66.547 0.3 . 1 . . . . 164 THR CA . 25367 1 536 . 1 1 164 164 THR CB C 13 67.492 0.3 . 1 . . . . 164 THR CB . 25367 1 537 . 1 1 164 164 THR N N 15 113.796 0.3 . 1 . . . . 164 THR N . 25367 1 538 . 1 1 165 165 ASN H H 1 7.846 0.020 . 1 . . . . 165 ASN H . 25367 1 539 . 1 1 165 165 ASN C C 13 177.514 0.3 . 1 . . . . 165 ASN C . 25367 1 540 . 1 1 165 165 ASN CA C 13 56.418 0.3 . 1 . . . . 165 ASN CA . 25367 1 541 . 1 1 165 165 ASN CB C 13 37.718 0.3 . 1 . . . . 165 ASN CB . 25367 1 542 . 1 1 165 165 ASN N N 15 118.970 0.3 . 1 . . . . 165 ASN N . 25367 1 543 . 1 1 166 166 ILE H H 1 7.699 0.020 . 1 . . . . 166 ILE H . 25367 1 544 . 1 1 166 166 ILE C C 13 176.877 0.3 . 1 . . . . 166 ILE C . 25367 1 545 . 1 1 166 166 ILE CA C 13 65.302 0.3 . 1 . . . . 166 ILE CA . 25367 1 546 . 1 1 166 166 ILE CB C 13 37.407 0.3 . 1 . . . . 166 ILE CB . 25367 1 547 . 1 1 166 166 ILE N N 15 118.455 0.3 . 1 . . . . 166 ILE N . 25367 1 548 . 1 1 167 167 ALA H H 1 7.753 0.020 . 1 . . . . 167 ALA H . 25367 1 549 . 1 1 167 167 ALA C C 13 177.931 0.3 . 1 . . . . 167 ALA C . 25367 1 550 . 1 1 167 167 ALA CA C 13 53.834 0.3 . 1 . . . . 167 ALA CA . 25367 1 551 . 1 1 167 167 ALA CB C 13 18.117 0.3 . 1 . . . . 167 ALA CB . 25367 1 552 . 1 1 167 167 ALA N N 15 118.139 0.3 . 1 . . . . 167 ALA N . 25367 1 553 . 1 1 168 168 MET H H 1 7.458 0.020 . 1 . . . . 168 MET H . 25367 1 554 . 1 1 168 168 MET C C 13 177.342 0.3 . 1 . . . . 168 MET C . 25367 1 555 . 1 1 168 168 MET CA C 13 55.504 0.3 . 1 . . . . 168 MET CA . 25367 1 556 . 1 1 168 168 MET CB C 13 31.535 0.3 . 1 . . . . 168 MET CB . 25367 1 557 . 1 1 168 168 MET N N 15 111.707 0.3 . 1 . . . . 168 MET N . 25367 1 558 . 1 1 169 169 GLU H H 1 7.620 0.020 . 1 . . . . 169 GLU H . 25367 1 559 . 1 1 169 169 GLU C C 13 176.696 0.3 . 1 . . . . 169 GLU C . 25367 1 560 . 1 1 169 169 GLU CA C 13 57.248 0.3 . 1 . . . . 169 GLU CA . 25367 1 561 . 1 1 169 169 GLU CB C 13 29.219 0.3 . 1 . . . . 169 GLU CB . 25367 1 562 . 1 1 169 169 GLU N N 15 118.879 0.3 . 1 . . . . 169 GLU N . 25367 1 563 . 1 1 170 170 GLY H H 1 7.062 0.020 . 1 . . . . 170 GLY H . 25367 1 564 . 1 1 170 170 GLY C C 13 173.356 0.3 . 1 . . . . 170 GLY C . 25367 1 565 . 1 1 170 170 GLY CA C 13 44.723 0.3 . 1 . . . . 170 GLY CA . 25367 1 566 . 1 1 170 170 GLY N N 15 102.950 0.3 . 1 . . . . 170 GLY N . 25367 1 567 . 1 1 172 172 GLU H H 1 9.126 0.020 . 1 . . . . 172 GLU H . 25367 1 568 . 1 1 172 172 GLU C C 13 179.218 0.3 . 1 . . . . 172 GLU C . 25367 1 569 . 1 1 172 172 GLU CA C 13 59.268 0.3 . 1 . . . . 172 GLU CA . 25367 1 570 . 1 1 172 172 GLU CB C 13 27.722 0.3 . 1 . . . . 172 GLU CB . 25367 1 571 . 1 1 172 172 GLU N N 15 120.703 0.3 . 1 . . . . 172 GLU N . 25367 1 572 . 1 1 173 173 GLN H H 1 8.570 0.020 . 1 . . . . 173 GLN H . 25367 1 573 . 1 1 173 173 GLN C C 13 177.753 0.3 . 1 . . . . 173 GLN C . 25367 1 574 . 1 1 173 173 GLN CA C 13 59.834 0.3 . 1 . . . . 173 GLN CA . 25367 1 575 . 1 1 173 173 GLN CB C 13 26.208 0.3 . 1 . . . . 173 GLN CB . 25367 1 576 . 1 1 173 173 GLN N N 15 121.834 0.3 . 1 . . . . 173 GLN N . 25367 1 577 . 1 1 174 174 LYS H H 1 8.162 0.020 . 1 . . . . 174 LYS H . 25367 1 578 . 1 1 174 174 LYS C C 13 178.690 0.3 . 1 . . . . 174 LYS C . 25367 1 579 . 1 1 174 174 LYS CA C 13 60.132 0.3 . 1 . . . . 174 LYS CA . 25367 1 580 . 1 1 174 174 LYS CB C 13 31.125 0.3 . 1 . . . . 174 LYS CB . 25367 1 581 . 1 1 174 174 LYS N N 15 119.722 0.3 . 1 . . . . 174 LYS N . 25367 1 582 . 1 1 175 175 GLN H H 1 8.068 0.020 . 1 . . . . 175 GLN H . 25367 1 583 . 1 1 175 175 GLN C C 13 177.873 0.3 . 1 . . . . 175 GLN C . 25367 1 584 . 1 1 175 175 GLN CA C 13 58.060 0.3 . 1 . . . . 175 GLN CA . 25367 1 585 . 1 1 175 175 GLN CB C 13 26.622 0.3 . 1 . . . . 175 GLN CB . 25367 1 586 . 1 1 175 175 GLN N N 15 117.456 0.3 . 1 . . . . 175 GLN N . 25367 1 587 . 1 1 176 176 ALA H H 1 7.777 0.020 . 1 . . . . 176 ALA H . 25367 1 588 . 1 1 176 176 ALA C C 13 180.854 0.3 . 1 . . . . 176 ALA C . 25367 1 589 . 1 1 176 176 ALA CA C 13 54.653 0.3 . 1 . . . . 176 ALA CA . 25367 1 590 . 1 1 176 176 ALA CB C 13 16.653 0.3 . 1 . . . . 176 ALA CB . 25367 1 591 . 1 1 176 176 ALA N N 15 121.993 0.3 . 1 . . . . 176 ALA N . 25367 1 592 . 1 1 177 177 VAL H H 1 7.926 0.020 . 1 . . . . 177 VAL H . 25367 1 593 . 1 1 177 177 VAL C C 13 177.699 0.3 . 1 . . . . 177 VAL C . 25367 1 594 . 1 1 177 177 VAL CA C 13 66.670 0.3 . 1 . . . . 177 VAL CA . 25367 1 595 . 1 1 177 177 VAL CB C 13 30.580 0.3 . 1 . . . . 177 VAL CB . 25367 1 596 . 1 1 177 177 VAL N N 15 119.139 0.3 . 1 . . . . 177 VAL N . 25367 1 597 . 1 1 178 178 LYS H H 1 7.846 0.020 . 1 . . . . 178 LYS H . 25367 1 598 . 1 1 178 178 LYS C C 13 181.385 0.3 . 1 . . . . 178 LYS C . 25367 1 599 . 1 1 178 178 LYS CA C 13 59.711 0.3 . 1 . . . . 178 LYS CA . 25367 1 600 . 1 1 178 178 LYS CB C 13 30.988 0.3 . 1 . . . . 178 LYS CB . 25367 1 601 . 1 1 178 178 LYS N N 15 118.882 0.3 . 1 . . . . 178 LYS N . 25367 1 602 . 1 1 179 179 GLU H H 1 8.915 0.020 . 1 . . . . 179 GLU H . 25367 1 603 . 1 1 179 179 GLU C C 13 177.344 0.3 . 1 . . . . 179 GLU C . 25367 1 604 . 1 1 179 179 GLU CA C 13 58.401 0.3 . 1 . . . . 179 GLU CA . 25367 1 605 . 1 1 179 179 GLU CB C 13 28.263 0.3 . 1 . . . . 179 GLU CB . 25367 1 606 . 1 1 179 179 GLU N N 15 121.572 0.3 . 1 . . . . 179 GLU N . 25367 1 607 . 1 1 180 180 ALA H H 1 7.408 0.020 . 1 . . . . 180 ALA H . 25367 1 608 . 1 1 180 180 ALA C C 13 177.115 0.3 . 1 . . . . 180 ALA C . 25367 1 609 . 1 1 180 180 ALA CA C 13 51.865 0.3 . 1 . . . . 180 ALA CA . 25367 1 610 . 1 1 180 180 ALA CB C 13 17.751 0.3 . 1 . . . . 180 ALA CB . 25367 1 611 . 1 1 180 180 ALA N N 15 118.458 0.3 . 1 . . . . 180 ALA N . 25367 1 612 . 1 1 181 181 GLY H H 1 7.746 0.020 . 1 . . . . 181 GLY H . 25367 1 613 . 1 1 181 181 GLY C C 13 176.290 0.3 . 1 . . . . 181 GLY C . 25367 1 614 . 1 1 181 181 GLY CA C 13 44.808 0.3 . 1 . . . . 181 GLY CA . 25367 1 615 . 1 1 181 181 GLY N N 15 103.384 0.3 . 1 . . . . 181 GLY N . 25367 1 616 . 1 1 182 182 ALA H H 1 7.086 0.020 . 1 . . . . 182 ALA H . 25367 1 617 . 1 1 182 182 ALA C C 13 178.623 0.3 . 1 . . . . 182 ALA C . 25367 1 618 . 1 1 182 182 ALA CA C 13 54.677 0.3 . 1 . . . . 182 ALA CA . 25367 1 619 . 1 1 182 182 ALA CB C 13 19.375 0.3 . 1 . . . . 182 ALA CB . 25367 1 620 . 1 1 182 182 ALA N N 15 117.244 0.3 . 1 . . . . 182 ALA N . 25367 1 621 . 1 1 183 183 LEU H H 1 8.750 0.020 . 1 . . . . 183 LEU H . 25367 1 622 . 1 1 183 183 LEU C C 13 178.809 0.3 . 1 . . . . 183 LEU C . 25367 1 623 . 1 1 183 183 LEU CA C 13 59.094 0.3 . 1 . . . . 183 LEU CA . 25367 1 624 . 1 1 183 183 LEU CB C 13 39.066 0.3 . 1 . . . . 183 LEU CB . 25367 1 625 . 1 1 183 183 LEU N N 15 115.298 0.3 . 1 . . . . 183 LEU N . 25367 1 626 . 1 1 184 184 GLU H H 1 8.122 0.020 . 1 . . . . 184 GLU H . 25367 1 627 . 1 1 184 184 GLU C C 13 179.335 0.3 . 1 . . . . 184 GLU C . 25367 1 628 . 1 1 184 184 GLU CA C 13 59.126 0.3 . 1 . . . . 184 GLU CA . 25367 1 629 . 1 1 184 184 GLU CB C 13 28.138 0.3 . 1 . . . . 184 GLU CB . 25367 1 630 . 1 1 184 184 GLU N N 15 116.982 0.3 . 1 . . . . 184 GLU N . 25367 1 631 . 1 1 185 185 LYS H H 1 6.772 0.020 . 1 . . . . 185 LYS H . 25367 1 632 . 1 1 185 185 LYS C C 13 179.449 0.3 . 1 . . . . 185 LYS C . 25367 1 633 . 1 1 185 185 LYS CA C 13 56.992 0.3 . 1 . . . . 185 LYS CA . 25367 1 634 . 1 1 185 185 LYS CB C 13 31.953 0.3 . 1 . . . . 185 LYS CB . 25367 1 635 . 1 1 185 185 LYS N N 15 115.714 0.3 . 1 . . . . 185 LYS N . 25367 1 636 . 1 1 186 186 LEU H H 1 8.296 0.020 . 1 . . . . 186 LEU H . 25367 1 637 . 1 1 186 186 LEU C C 13 179.221 0.3 . 1 . . . . 186 LEU C . 25367 1 638 . 1 1 186 186 LEU CA C 13 57.659 0.3 . 1 . . . . 186 LEU CA . 25367 1 639 . 1 1 186 186 LEU CB C 13 40.827 0.3 . 1 . . . . 186 LEU CB . 25367 1 640 . 1 1 186 186 LEU N N 15 119.881 0.3 . 1 . . . . 186 LEU N . 25367 1 641 . 1 1 187 187 GLU H H 1 8.138 0.020 . 1 . . . . 187 GLU H . 25367 1 642 . 1 1 187 187 GLU C C 13 180.148 0.3 . 1 . . . . 187 GLU C . 25367 1 643 . 1 1 187 187 GLU CA C 13 59.023 0.3 . 1 . . . . 187 GLU CA . 25367 1 644 . 1 1 187 187 GLU CB C 13 28.417 0.3 . 1 . . . . 187 GLU CB . 25367 1 645 . 1 1 187 187 GLU N N 15 117.927 0.3 . 1 . . . . 187 GLU N . 25367 1 646 . 1 1 188 188 GLN H H 1 7.274 0.020 . 1 . . . . 188 GLN H . 25367 1 647 . 1 1 188 188 GLN C C 13 178.632 0.3 . 1 . . . . 188 GLN C . 25367 1 648 . 1 1 188 188 GLN CA C 13 57.777 0.3 . 1 . . . . 188 GLN CA . 25367 1 649 . 1 1 188 188 GLN CB C 13 27.439 0.3 . 1 . . . . 188 GLN CB . 25367 1 650 . 1 1 188 188 GLN N N 15 117.349 0.3 . 1 . . . . 188 GLN N . 25367 1 651 . 1 1 189 189 LEU H H 1 7.655 0.020 . 1 . . . . 189 LEU H . 25367 1 652 . 1 1 189 189 LEU C C 13 177.469 0.3 . 1 . . . . 189 LEU C . 25367 1 653 . 1 1 189 189 LEU CA C 13 55.916 0.3 . 1 . . . . 189 LEU CA . 25367 1 654 . 1 1 189 189 LEU CB C 13 41.387 0.3 . 1 . . . . 189 LEU CB . 25367 1 655 . 1 1 189 189 LEU N N 15 119.323 0.3 . 1 . . . . 189 LEU N . 25367 1 656 . 1 1 190 190 GLN H H 1 7.392 0.020 . 1 . . . . 190 GLN H . 25367 1 657 . 1 1 190 190 GLN C C 13 175.761 0.3 . 1 . . . . 190 GLN C . 25367 1 658 . 1 1 190 190 GLN CA C 13 58.068 0.3 . 1 . . . . 190 GLN CA . 25367 1 659 . 1 1 190 190 GLN CB C 13 28.129 0.3 . 1 . . . . 190 GLN CB . 25367 1 660 . 1 1 190 190 GLN N N 15 115.555 0.3 . 1 . . . . 190 GLN N . 25367 1 661 . 1 1 191 191 SER H H 1 7.470 0.020 . 1 . . . . 191 SER H . 25367 1 662 . 1 1 191 191 SER C C 13 173.943 0.3 . 1 . . . . 191 SER C . 25367 1 663 . 1 1 191 191 SER CA C 13 56.732 0.3 . 1 . . . . 191 SER CA . 25367 1 664 . 1 1 191 191 SER CB C 13 62.767 0.3 . 1 . . . . 191 SER CB . 25367 1 665 . 1 1 191 191 SER N N 15 110.850 0.3 . 1 . . . . 191 SER N . 25367 1 666 . 1 1 192 192 HIS H H 1 7.494 0.020 . 1 . . . . 192 HIS H . 25367 1 667 . 1 1 192 192 HIS C C 13 174.692 0.3 . 1 . . . . 192 HIS C . 25367 1 668 . 1 1 192 192 HIS CA C 13 59.149 0.3 . 1 . . . . 192 HIS CA . 25367 1 669 . 1 1 192 192 HIS CB C 13 31.155 0.3 . 1 . . . . 192 HIS CB . 25367 1 670 . 1 1 192 192 HIS N N 15 124.471 0.3 . 1 . . . . 192 HIS N . 25367 1 671 . 1 1 193 193 GLU H H 1 7.846 0.020 . 1 . . . . 193 GLU H . 25367 1 672 . 1 1 193 193 GLU C C 13 176.869 0.3 . 1 . . . . 193 GLU C . 25367 1 673 . 1 1 193 193 GLU CA C 13 58.067 0.3 . 1 . . . . 193 GLU CA . 25367 1 674 . 1 1 193 193 GLU CB C 13 28.568 0.3 . 1 . . . . 193 GLU CB . 25367 1 675 . 1 1 193 193 GLU N N 15 123.285 0.3 . 1 . . . . 193 GLU N . 25367 1 676 . 1 1 194 194 ASN H H 1 11.272 0.020 . 1 . . . . 194 ASN H . 25367 1 677 . 1 1 194 194 ASN C C 13 175.859 0.3 . 1 . . . . 194 ASN C . 25367 1 678 . 1 1 194 194 ASN CA C 13 53.010 0.3 . 1 . . . . 194 ASN CA . 25367 1 679 . 1 1 194 194 ASN CB C 13 38.858 0.3 . 1 . . . . 194 ASN CB . 25367 1 680 . 1 1 194 194 ASN N N 15 124.518 0.3 . 1 . . . . 194 ASN N . 25367 1 681 . 1 1 195 195 GLU H H 1 8.971 0.020 . 1 . . . . 195 GLU H . 25367 1 682 . 1 1 195 195 GLU C C 13 177.873 0.3 . 1 . . . . 195 GLU C . 25367 1 683 . 1 1 195 195 GLU CA C 13 59.096 0.3 . 1 . . . . 195 GLU CA . 25367 1 684 . 1 1 195 195 GLU CB C 13 28.669 0.3 . 1 . . . . 195 GLU CB . 25367 1 685 . 1 1 195 195 GLU N N 15 127.371 0.3 . 1 . . . . 195 GLU N . 25367 1 686 . 1 1 196 196 LYS H H 1 7.965 0.020 . 1 . . . . 196 LYS H . 25367 1 687 . 1 1 196 196 LYS C C 13 178.870 0.3 . 1 . . . . 196 LYS C . 25367 1 688 . 1 1 196 196 LYS CA C 13 58.892 0.3 . 1 . . . . 196 LYS CA . 25367 1 689 . 1 1 196 196 LYS CB C 13 31.108 0.3 . 1 . . . . 196 LYS CB . 25367 1 690 . 1 1 196 196 LYS N N 15 119.407 0.3 . 1 . . . . 196 LYS N . 25367 1 691 . 1 1 197 197 ILE H H 1 7.204 0.020 . 1 . . . . 197 ILE H . 25367 1 692 . 1 1 197 197 ILE C C 13 177.336 0.3 . 1 . . . . 197 ILE C . 25367 1 693 . 1 1 197 197 ILE CA C 13 62.704 0.3 . 1 . . . . 197 ILE CA . 25367 1 694 . 1 1 197 197 ILE CB C 13 34.813 0.3 . 1 . . . . 197 ILE CB . 25367 1 695 . 1 1 197 197 ILE N N 15 119.191 0.3 . 1 . . . . 197 ILE N . 25367 1 696 . 1 1 198 198 GLN H H 1 8.060 0.020 . 1 . . . . 198 GLN H . 25367 1 697 . 1 1 198 198 GLN C C 13 178.930 0.3 . 1 . . . . 198 GLN C . 25367 1 698 . 1 1 198 198 GLN CA C 13 59.169 0.3 . 1 . . . . 198 GLN CA . 25367 1 699 . 1 1 198 198 GLN CB C 13 27.655 0.3 . 1 . . . . 198 GLN CB . 25367 1 700 . 1 1 198 198 GLN N N 15 117.876 0.3 . 1 . . . . 198 GLN N . 25367 1 701 . 1 1 199 199 LYS H H 1 7.652 0.020 . 1 . . . . 199 LYS H . 25367 1 702 . 1 1 199 199 LYS C C 13 179.337 0.3 . 1 . . . . 199 LYS C . 25367 1 703 . 1 1 199 199 LYS CA C 13 58.612 0.3 . 1 . . . . 199 LYS CA . 25367 1 704 . 1 1 199 199 LYS CB C 13 31.410 0.3 . 1 . . . . 199 LYS CB . 25367 1 705 . 1 1 199 199 LYS N N 15 117.456 0.3 . 1 . . . . 199 LYS N . 25367 1 706 . 1 1 200 200 GLU H H 1 8.075 0.020 . 1 . . . . 200 GLU H . 25367 1 707 . 1 1 200 200 GLU C C 13 179.955 0.3 . 1 . . . . 200 GLU C . 25367 1 708 . 1 1 200 200 GLU CA C 13 58.614 0.3 . 1 . . . . 200 GLU CA . 25367 1 709 . 1 1 200 200 GLU CB C 13 28.447 0.3 . 1 . . . . 200 GLU CB . 25367 1 710 . 1 1 200 200 GLU N N 15 119.303 0.3 . 1 . . . . 200 GLU N . 25367 1 711 . 1 1 201 201 ALA H H 1 8.908 0.020 . 1 . . . . 201 ALA H . 25367 1 712 . 1 1 201 201 ALA C C 13 178.984 0.3 . 1 . . . . 201 ALA C . 25367 1 713 . 1 1 201 201 ALA CA C 13 54.786 0.3 . 1 . . . . 201 ALA CA . 25367 1 714 . 1 1 201 201 ALA CB C 13 17.585 0.3 . 1 . . . . 201 ALA CB . 25367 1 715 . 1 1 201 201 ALA N N 15 122.625 0.3 . 1 . . . . 201 ALA N . 25367 1 716 . 1 1 202 202 GLN H H 1 8.052 0.020 . 1 . . . . 202 GLN H . 25367 1 717 . 1 1 202 202 GLN C C 13 178.693 0.3 . 1 . . . . 202 GLN C . 25367 1 718 . 1 1 202 202 GLN CA C 13 58.899 0.3 . 1 . . . . 202 GLN CA . 25367 1 719 . 1 1 202 202 GLN CB C 13 27.418 0.3 . 1 . . . . 202 GLN CB . 25367 1 720 . 1 1 202 202 GLN N N 15 118.246 0.3 . 1 . . . . 202 GLN N . 25367 1 721 . 1 1 203 203 GLU H H 1 8.122 0.020 . 1 . . . . 203 GLU H . 25367 1 722 . 1 1 203 203 GLU C C 13 178.867 0.3 . 1 . . . . 203 GLU C . 25367 1 723 . 1 1 203 203 GLU CA C 13 58.817 0.3 . 1 . . . . 203 GLU CA . 25367 1 724 . 1 1 203 203 GLU CB C 13 28.516 0.3 . 1 . . . . 203 GLU CB . 25367 1 725 . 1 1 203 203 GLU N N 15 119.248 0.3 . 1 . . . . 203 GLU N . 25367 1 726 . 1 1 204 204 ALA H H 1 7.957 0.020 . 1 . . . . 204 ALA H . 25367 1 727 . 1 1 204 204 ALA C C 13 179.190 0.3 . 1 . . . . 204 ALA C . 25367 1 728 . 1 1 204 204 ALA CA C 13 54.787 0.3 . 1 . . . . 204 ALA CA . 25367 1 729 . 1 1 204 204 ALA CB C 13 17.331 0.3 . 1 . . . . 204 ALA CB . 25367 1 730 . 1 1 204 204 ALA N N 15 121.308 0.3 . 1 . . . . 204 ALA N . 25367 1 731 . 1 1 205 205 LEU H H 1 8.092 0.020 . 1 . . . . 205 LEU H . 25367 1 732 . 1 1 205 205 LEU C C 13 178.984 0.3 . 1 . . . . 205 LEU C . 25367 1 733 . 1 1 205 205 LEU CA C 13 57.902 0.3 . 1 . . . . 205 LEU CA . 25367 1 734 . 1 1 205 205 LEU CB C 13 40.798 0.3 . 1 . . . . 205 LEU CB . 25367 1 735 . 1 1 205 205 LEU N N 15 117.875 0.3 . 1 . . . . 205 LEU N . 25367 1 736 . 1 1 206 206 GLU H H 1 7.918 0.020 . 1 . . . . 206 GLU H . 25367 1 737 . 1 1 206 206 GLU C C 13 179.921 0.3 . 1 . . . . 206 GLU C . 25367 1 738 . 1 1 206 206 GLU CA C 13 58.891 0.3 . 1 . . . . 206 GLU CA . 25367 1 739 . 1 1 206 206 GLU CB C 13 28.376 0.3 . 1 . . . . 206 GLU CB . 25367 1 740 . 1 1 206 206 GLU N N 15 118.171 0.3 . 1 . . . . 206 GLU N . 25367 1 741 . 1 1 207 207 LYS H H 1 7.784 0.020 . 1 . . . . 207 LYS H . 25367 1 742 . 1 1 207 207 LYS C C 13 178.749 0.3 . 1 . . . . 207 LYS C . 25367 1 743 . 1 1 207 207 LYS CA C 13 58.062 0.3 . 1 . . . . 207 LYS CA . 25367 1 744 . 1 1 207 207 LYS CB C 13 31.231 0.3 . 1 . . . . 207 LYS CB . 25367 1 745 . 1 1 207 207 LYS N N 15 117.823 0.3 . 1 . . . . 207 LYS N . 25367 1 746 . 1 1 208 208 LEU H H 1 7.895 0.020 . 1 . . . . 208 LEU H . 25367 1 747 . 1 1 208 208 LEU C C 13 177.220 0.3 . 1 . . . . 208 LEU C . 25367 1 748 . 1 1 208 208 LEU CA C 13 56.152 0.3 . 1 . . . . 208 LEU CA . 25367 1 749 . 1 1 208 208 LEU CB C 13 41.380 0.3 . 1 . . . . 208 LEU CB . 25367 1 750 . 1 1 208 208 LEU N N 15 117.296 0.3 . 1 . . . . 208 LEU N . 25367 1 751 . 1 1 209 209 GLN H H 1 7.620 0.020 . 1 . . . . 209 GLN H . 25367 1 752 . 1 1 209 209 GLN C C 13 176.053 0.3 . 1 . . . . 209 GLN C . 25367 1 753 . 1 1 209 209 GLN CA C 13 55.604 0.3 . 1 . . . . 209 GLN CA . 25367 1 754 . 1 1 209 209 GLN CB C 13 28.675 0.3 . 1 . . . . 209 GLN CB . 25367 1 755 . 1 1 209 209 GLN N N 15 115.507 0.3 . 1 . . . . 209 GLN N . 25367 1 756 . 1 1 210 210 SER H H 1 7.642 0.020 . 1 . . . . 210 SER H . 25367 1 757 . 1 1 210 210 SER C C 13 173.497 0.3 . 1 . . . . 210 SER C . 25367 1 758 . 1 1 210 210 SER CA C 13 58.182 0.3 . 1 . . . . 210 SER CA . 25367 1 759 . 1 1 210 210 SER CB C 13 63.393 0.3 . 1 . . . . 210 SER CB . 25367 1 760 . 1 1 210 210 SER N N 15 115.996 0.3 . 1 . . . . 210 SER N . 25367 1 761 . 1 1 211 211 HIS H H 1 7.997 0.020 . 1 . . . . 211 HIS H . 25367 1 762 . 1 1 211 211 HIS C C 13 179.742 0.3 . 1 . . . . 211 HIS C . 25367 1 763 . 1 1 211 211 HIS CA C 13 57.250 0.3 . 1 . . . . 211 HIS CA . 25367 1 764 . 1 1 211 211 HIS CB C 13 30.171 0.3 . 1 . . . . 211 HIS CB . 25367 1 765 . 1 1 211 211 HIS N N 15 126.107 0.3 . 1 . . . . 211 HIS N . 25367 1 stop_ save_