data_51826 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51826 _Entry.Title ; 1H, 13C, 15N resonance assignment of the GltJ N-terminal cytoplasmic region (1-222) from Myxococcus xanthus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-02-07 _Entry.Accession_date 2023-02-07 _Entry.Last_release_date 2023-02-07 _Entry.Original_release_date 2023-02-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'marseille cedex 09' _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 Bouchra Attia . . . . 51826 2 Latifa Elantak . . . . 51826 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51826 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 552 51826 '15N chemical shifts' 184 51826 '1H chemical shifts' 183 51826 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 . . 2024-09-28 . original BMRB . 51826 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51826 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38809974 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A molecular switch controls assembly of bacterial focal adhesions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science advances' _Citation.Journal_volume 10 _Citation.Journal_issue 22 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2375-2548 _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 eadn2789 _Citation.Page_last eadn2789 _Citation.Year 2024 _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 Bouchra Attia . . . . 51826 1 2 Laetitia My . . . . 51826 1 3 Jean-Philippe Castaing . . . . 51826 1 4 Celine Dinet . . . . 51826 1 5 Hugo 'Le Guenno' . . . . 51826 1 6 Victoria Schmidt . . . . 51826 1 7 Leon Espinosa . . . . 51826 1 8 Vivek Anantharaman . . . . 51826 1 9 Lyer Aravind . . . . 51826 1 10 Corinne Sebban-Kreuzer . . . . 51826 1 11 Matthieu Nouailler . . . . 51826 1 12 Olivier Bornet . . . . 51826 1 13 Patrick Viollier . . . . 51826 1 14 Latifa Elantak . . . . 51826 1 15 Tam Mignot . . . . 51826 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51826 _Assembly.ID 1 _Assembly.Name GltJ _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 GltJ 1 $entity_1 . . yes native no no . . . 51826 1 2 'Zn ion' 2 $entity_ZN . . no native no no . . . 51826 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51826 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MRFVCDSCRAQYMISDDKIG PKGVKVRCKKCGHTITVRPA GATAAKDSASESSTSEASAS TDVGKGSDASAATMPATLGT PPEGGLFTDVEEDEIGAVFD QVLSSGTQKIPTEAANEAAA REASAENVRKLAEAEAEPDK EEAKANAAAHEWYVAIDEKQ VGPFNVEKVKDLWDRGEVGP DSLCWRSGFSDWIPLSETAE LASVLAPRPSKPVIVAPEPV SG ; _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 222 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 . 51826 1 2 . ARG . 51826 1 3 . PHE . 51826 1 4 . VAL . 51826 1 5 . CYS . 51826 1 6 . ASP . 51826 1 7 . SER . 51826 1 8 . CYS . 51826 1 9 . ARG . 51826 1 10 . ALA . 51826 1 11 . GLN . 51826 1 12 . TYR . 51826 1 13 . MET . 51826 1 14 . ILE . 51826 1 15 . SER . 51826 1 16 . ASP . 51826 1 17 . ASP . 51826 1 18 . LYS . 51826 1 19 . ILE . 51826 1 20 . GLY . 51826 1 21 . PRO . 51826 1 22 . LYS . 51826 1 23 . GLY . 51826 1 24 . VAL . 51826 1 25 . LYS . 51826 1 26 . VAL . 51826 1 27 . ARG . 51826 1 28 . CYS . 51826 1 29 . LYS . 51826 1 30 . LYS . 51826 1 31 . CYS . 51826 1 32 . GLY . 51826 1 33 . HIS . 51826 1 34 . THR . 51826 1 35 . ILE . 51826 1 36 . THR . 51826 1 37 . VAL . 51826 1 38 . ARG . 51826 1 39 . PRO . 51826 1 40 . ALA . 51826 1 41 . GLY . 51826 1 42 . ALA . 51826 1 43 . THR . 51826 1 44 . ALA . 51826 1 45 . ALA . 51826 1 46 . LYS . 51826 1 47 . ASP . 51826 1 48 . SER . 51826 1 49 . ALA . 51826 1 50 . SER . 51826 1 51 . GLU . 51826 1 52 . SER . 51826 1 53 . SER . 51826 1 54 . THR . 51826 1 55 . SER . 51826 1 56 . GLU . 51826 1 57 . ALA . 51826 1 58 . SER . 51826 1 59 . ALA . 51826 1 60 . SER . 51826 1 61 . THR . 51826 1 62 . ASP . 51826 1 63 . VAL . 51826 1 64 . GLY . 51826 1 65 . LYS . 51826 1 66 . GLY . 51826 1 67 . SER . 51826 1 68 . ASP . 51826 1 69 . ALA . 51826 1 70 . SER . 51826 1 71 . ALA . 51826 1 72 . ALA . 51826 1 73 . THR . 51826 1 74 . MET . 51826 1 75 . PRO . 51826 1 76 . ALA . 51826 1 77 . THR . 51826 1 78 . LEU . 51826 1 79 . GLY . 51826 1 80 . THR . 51826 1 81 . PRO . 51826 1 82 . PRO . 51826 1 83 . GLU . 51826 1 84 . GLY . 51826 1 85 . GLY . 51826 1 86 . LEU . 51826 1 87 . PHE . 51826 1 88 . THR . 51826 1 89 . ASP . 51826 1 90 . VAL . 51826 1 91 . GLU . 51826 1 92 . GLU . 51826 1 93 . ASP . 51826 1 94 . GLU . 51826 1 95 . ILE . 51826 1 96 . GLY . 51826 1 97 . ALA . 51826 1 98 . VAL . 51826 1 99 . PHE . 51826 1 100 . ASP . 51826 1 101 . GLN . 51826 1 102 . VAL . 51826 1 103 . LEU . 51826 1 104 . SER . 51826 1 105 . SER . 51826 1 106 . GLY . 51826 1 107 . THR . 51826 1 108 . GLN . 51826 1 109 . LYS . 51826 1 110 . ILE . 51826 1 111 . PRO . 51826 1 112 . THR . 51826 1 113 . GLU . 51826 1 114 . ALA . 51826 1 115 . ALA . 51826 1 116 . ASN . 51826 1 117 . GLU . 51826 1 118 . ALA . 51826 1 119 . ALA . 51826 1 120 . ALA . 51826 1 121 . ARG . 51826 1 122 . GLU . 51826 1 123 . ALA . 51826 1 124 . SER . 51826 1 125 . ALA . 51826 1 126 . GLU . 51826 1 127 . ASN . 51826 1 128 . VAL . 51826 1 129 . ARG . 51826 1 130 . LYS . 51826 1 131 . LEU . 51826 1 132 . ALA . 51826 1 133 . GLU . 51826 1 134 . ALA . 51826 1 135 . GLU . 51826 1 136 . ALA . 51826 1 137 . GLU . 51826 1 138 . PRO . 51826 1 139 . ASP . 51826 1 140 . LYS . 51826 1 141 . GLU . 51826 1 142 . GLU . 51826 1 143 . ALA . 51826 1 144 . LYS . 51826 1 145 . ALA . 51826 1 146 . ASN . 51826 1 147 . ALA . 51826 1 148 . ALA . 51826 1 149 . ALA . 51826 1 150 . HIS . 51826 1 151 . GLU . 51826 1 152 . TRP . 51826 1 153 . TYR . 51826 1 154 . VAL . 51826 1 155 . ALA . 51826 1 156 . ILE . 51826 1 157 . ASP . 51826 1 158 . GLU . 51826 1 159 . LYS . 51826 1 160 . GLN . 51826 1 161 . VAL . 51826 1 162 . GLY . 51826 1 163 . PRO . 51826 1 164 . PHE . 51826 1 165 . ASN . 51826 1 166 . VAL . 51826 1 167 . GLU . 51826 1 168 . LYS . 51826 1 169 . VAL . 51826 1 170 . LYS . 51826 1 171 . ASP . 51826 1 172 . LEU . 51826 1 173 . TRP . 51826 1 174 . ASP . 51826 1 175 . ARG . 51826 1 176 . GLY . 51826 1 177 . GLU . 51826 1 178 . VAL . 51826 1 179 . GLY . 51826 1 180 . PRO . 51826 1 181 . ASP . 51826 1 182 . SER . 51826 1 183 . LEU . 51826 1 184 . CYS . 51826 1 185 . TRP . 51826 1 186 . ARG . 51826 1 187 . SER . 51826 1 188 . GLY . 51826 1 189 . PHE . 51826 1 190 . SER . 51826 1 191 . ASP . 51826 1 192 . TRP . 51826 1 193 . ILE . 51826 1 194 . PRO . 51826 1 195 . LEU . 51826 1 196 . SER . 51826 1 197 . GLU . 51826 1 198 . THR . 51826 1 199 . ALA . 51826 1 200 . GLU . 51826 1 201 . LEU . 51826 1 202 . ALA . 51826 1 203 . SER . 51826 1 204 . VAL . 51826 1 205 . LEU . 51826 1 206 . ALA . 51826 1 207 . PRO . 51826 1 208 . ARG . 51826 1 209 . PRO . 51826 1 210 . SER . 51826 1 211 . LYS . 51826 1 212 . PRO . 51826 1 213 . VAL . 51826 1 214 . ILE . 51826 1 215 . VAL . 51826 1 216 . ALA . 51826 1 217 . PRO . 51826 1 218 . GLU . 51826 1 219 . PRO . 51826 1 220 . VAL . 51826 1 221 . SER . 51826 1 222 . GLY . 51826 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 51826 1 . ARG 2 2 51826 1 . PHE 3 3 51826 1 . VAL 4 4 51826 1 . CYS 5 5 51826 1 . ASP 6 6 51826 1 . SER 7 7 51826 1 . CYS 8 8 51826 1 . ARG 9 9 51826 1 . ALA 10 10 51826 1 . GLN 11 11 51826 1 . TYR 12 12 51826 1 . MET 13 13 51826 1 . ILE 14 14 51826 1 . SER 15 15 51826 1 . ASP 16 16 51826 1 . ASP 17 17 51826 1 . LYS 18 18 51826 1 . ILE 19 19 51826 1 . GLY 20 20 51826 1 . PRO 21 21 51826 1 . LYS 22 22 51826 1 . GLY 23 23 51826 1 . VAL 24 24 51826 1 . LYS 25 25 51826 1 . VAL 26 26 51826 1 . ARG 27 27 51826 1 . CYS 28 28 51826 1 . LYS 29 29 51826 1 . LYS 30 30 51826 1 . CYS 31 31 51826 1 . GLY 32 32 51826 1 . HIS 33 33 51826 1 . THR 34 34 51826 1 . ILE 35 35 51826 1 . THR 36 36 51826 1 . VAL 37 37 51826 1 . ARG 38 38 51826 1 . PRO 39 39 51826 1 . ALA 40 40 51826 1 . GLY 41 41 51826 1 . ALA 42 42 51826 1 . THR 43 43 51826 1 . ALA 44 44 51826 1 . ALA 45 45 51826 1 . LYS 46 46 51826 1 . ASP 47 47 51826 1 . SER 48 48 51826 1 . ALA 49 49 51826 1 . SER 50 50 51826 1 . GLU 51 51 51826 1 . SER 52 52 51826 1 . SER 53 53 51826 1 . THR 54 54 51826 1 . SER 55 55 51826 1 . GLU 56 56 51826 1 . ALA 57 57 51826 1 . SER 58 58 51826 1 . ALA 59 59 51826 1 . SER 60 60 51826 1 . THR 61 61 51826 1 . ASP 62 62 51826 1 . VAL 63 63 51826 1 . GLY 64 64 51826 1 . LYS 65 65 51826 1 . GLY 66 66 51826 1 . SER 67 67 51826 1 . ASP 68 68 51826 1 . ALA 69 69 51826 1 . SER 70 70 51826 1 . ALA 71 71 51826 1 . ALA 72 72 51826 1 . THR 73 73 51826 1 . MET 74 74 51826 1 . PRO 75 75 51826 1 . ALA 76 76 51826 1 . THR 77 77 51826 1 . LEU 78 78 51826 1 . GLY 79 79 51826 1 . THR 80 80 51826 1 . PRO 81 81 51826 1 . PRO 82 82 51826 1 . GLU 83 83 51826 1 . GLY 84 84 51826 1 . GLY 85 85 51826 1 . LEU 86 86 51826 1 . PHE 87 87 51826 1 . THR 88 88 51826 1 . ASP 89 89 51826 1 . VAL 90 90 51826 1 . GLU 91 91 51826 1 . GLU 92 92 51826 1 . ASP 93 93 51826 1 . GLU 94 94 51826 1 . ILE 95 95 51826 1 . GLY 96 96 51826 1 . ALA 97 97 51826 1 . VAL 98 98 51826 1 . PHE 99 99 51826 1 . ASP 100 100 51826 1 . GLN 101 101 51826 1 . VAL 102 102 51826 1 . LEU 103 103 51826 1 . SER 104 104 51826 1 . SER 105 105 51826 1 . GLY 106 106 51826 1 . THR 107 107 51826 1 . GLN 108 108 51826 1 . LYS 109 109 51826 1 . ILE 110 110 51826 1 . PRO 111 111 51826 1 . THR 112 112 51826 1 . GLU 113 113 51826 1 . ALA 114 114 51826 1 . ALA 115 115 51826 1 . ASN 116 116 51826 1 . GLU 117 117 51826 1 . ALA 118 118 51826 1 . ALA 119 119 51826 1 . ALA 120 120 51826 1 . ARG 121 121 51826 1 . GLU 122 122 51826 1 . ALA 123 123 51826 1 . SER 124 124 51826 1 . ALA 125 125 51826 1 . GLU 126 126 51826 1 . ASN 127 127 51826 1 . VAL 128 128 51826 1 . ARG 129 129 51826 1 . LYS 130 130 51826 1 . LEU 131 131 51826 1 . ALA 132 132 51826 1 . GLU 133 133 51826 1 . ALA 134 134 51826 1 . GLU 135 135 51826 1 . ALA 136 136 51826 1 . GLU 137 137 51826 1 . PRO 138 138 51826 1 . ASP 139 139 51826 1 . LYS 140 140 51826 1 . GLU 141 141 51826 1 . GLU 142 142 51826 1 . ALA 143 143 51826 1 . LYS 144 144 51826 1 . ALA 145 145 51826 1 . ASN 146 146 51826 1 . ALA 147 147 51826 1 . ALA 148 148 51826 1 . ALA 149 149 51826 1 . HIS 150 150 51826 1 . GLU 151 151 51826 1 . TRP 152 152 51826 1 . TYR 153 153 51826 1 . VAL 154 154 51826 1 . ALA 155 155 51826 1 . ILE 156 156 51826 1 . ASP 157 157 51826 1 . GLU 158 158 51826 1 . LYS 159 159 51826 1 . GLN 160 160 51826 1 . VAL 161 161 51826 1 . GLY 162 162 51826 1 . PRO 163 163 51826 1 . PHE 164 164 51826 1 . ASN 165 165 51826 1 . VAL 166 166 51826 1 . GLU 167 167 51826 1 . LYS 168 168 51826 1 . VAL 169 169 51826 1 . LYS 170 170 51826 1 . ASP 171 171 51826 1 . LEU 172 172 51826 1 . TRP 173 173 51826 1 . ASP 174 174 51826 1 . ARG 175 175 51826 1 . GLY 176 176 51826 1 . GLU 177 177 51826 1 . VAL 178 178 51826 1 . GLY 179 179 51826 1 . PRO 180 180 51826 1 . ASP 181 181 51826 1 . SER 182 182 51826 1 . LEU 183 183 51826 1 . CYS 184 184 51826 1 . TRP 185 185 51826 1 . ARG 186 186 51826 1 . SER 187 187 51826 1 . GLY 188 188 51826 1 . PHE 189 189 51826 1 . SER 190 190 51826 1 . ASP 191 191 51826 1 . TRP 192 192 51826 1 . ILE 193 193 51826 1 . PRO 194 194 51826 1 . LEU 195 195 51826 1 . SER 196 196 51826 1 . GLU 197 197 51826 1 . THR 198 198 51826 1 . ALA 199 199 51826 1 . GLU 200 200 51826 1 . LEU 201 201 51826 1 . ALA 202 202 51826 1 . SER 203 203 51826 1 . VAL 204 204 51826 1 . LEU 205 205 51826 1 . ALA 206 206 51826 1 . PRO 207 207 51826 1 . ARG 208 208 51826 1 . PRO 209 209 51826 1 . SER 210 210 51826 1 . LYS 211 211 51826 1 . PRO 212 212 51826 1 . VAL 213 213 51826 1 . ILE 214 214 51826 1 . VAL 215 215 51826 1 . ALA 216 216 51826 1 . PRO 217 217 51826 1 . GLU 218 218 51826 1 . PRO 219 219 51826 1 . VAL 220 220 51826 1 . SER 221 221 51826 1 . GLY 222 222 51826 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 51826 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 51826 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 51826 2 ZN 'Three letter code' 51826 2 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 1 ZN $chem_comp_ZN 51826 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51826 _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 $entity_1 . 34 organism . 'Myxococcus xanthus' 'Myxococcus xanthus' . . Bacteria . Myxococcus xanthus . . . . . . . . . . . . . 51826 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51826 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . p304-nt1-222 . . . 51826 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 51826 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 51826 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 51826 ZN [Zn++] SMILES CACTVS 3.341 51826 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 51826 ZN [Zn+2] SMILES ACDLabs 10.04 51826 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 51826 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51826 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 51826 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51826 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 51826 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51826 _Sample.ID 1 _Sample.Name GltJ-Nt1-222 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 GltJ-Nt1-222 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.75 0.5 1 mM . . . . 51826 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 51826 _Sample_condition_list.ID 1 _Sample_condition_list.Name GltJ-Nt1-222 _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' 50 . mM 51826 1 pH 7 . pH 51826 1 pressure 1 . atm 51826 1 temperature 298 . K 51826 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51826 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51826 1 processing . 51826 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51826 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51826 2 'data analysis' . 51826 2 'peak picking' . 51826 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51826 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 950MHz-IBS _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51826 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51826 1 2 '3D CBCACONH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'BEST-TROSY based experiment' 51826 1 3 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'BEST-TROSY based experiment' 51826 1 4 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'BEST-TROSY based experiment' 51826 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'BEST-TROSY based experiment' 51826 1 6 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'BEST-TROSY based experiment' 51826 1 7 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'BEST-TROSY based experiment' 51826 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51826 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name GltJ-Nt1-222 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbon' . . . . ppm 0 na direct 1 . . . . . 51826 1 H 1 DSS 'methyl protons' . . . . ppm 0 na direct 1 . . . . . 51826 1 N 15 DSS nitrogen . . . . ppm 0 na direct 1 . . . . . 51826 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51826 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Gltj-Nt1-222 _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 $chem_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 TROSY' . . . 51826 1 2 '3D CBCACONH' . . . 51826 1 3 '3D HNCO' . . . 51826 1 4 '3D HNCA' . . . 51826 1 5 '3D HNCACB' . . . 51826 1 6 '3D HN(CA)CO' . . . 51826 1 7 '3D HN(CO)CA' . . . 51826 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51826 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ARG C C 13 175.5321595 1.907348633e-06 . . . . . . . 2 ARG C . 51826 1 2 . 1 . 1 3 3 PHE H H 1 8.724554008 0.004527531719 . . . . . . . 3 PHE H . 51826 1 3 . 1 . 1 3 3 PHE C C 13 172.0881637 0.006272008496 . . . . . . . 3 PHE C . 51826 1 4 . 1 . 1 3 3 PHE CA C 13 59.08784707 0.03991276027 . . . . . . . 3 PHE CA . 51826 1 5 . 1 . 1 3 3 PHE CB C 13 43.7265049 0.04302873768 . . . . . . . 3 PHE CB . 51826 1 6 . 1 . 1 3 3 PHE N N 15 120.3755456 1.907348633e-06 . . . . . . . 3 PHE N . 51826 1 7 . 1 . 1 4 4 VAL H H 1 8.304426401 0.001007793515 . . . . . . . 4 VAL H . 51826 1 8 . 1 . 1 4 4 VAL C C 13 175.2430969 0.002070173681 . . . . . . . 4 VAL C . 51826 1 9 . 1 . 1 4 4 VAL CA C 13 61.76920924 0.03570658562 . . . . . . . 4 VAL CA . 51826 1 10 . 1 . 1 4 4 VAL CB C 13 38.20942621 3.633048563e-05 . . . . . . . 4 VAL CB . 51826 1 11 . 1 . 1 4 4 VAL N N 15 116.9178989 1.348699152e-06 . . . . . . . 4 VAL N . 51826 1 12 . 1 . 1 5 5 CYS H H 1 9.123085009 0.007206161559 . . . . . . . 5 CYS H . 51826 1 13 . 1 . 1 5 5 CYS C C 13 177.1182967 0.01253100835 . . . . . . . 5 CYS C . 51826 1 14 . 1 . 1 5 5 CYS CA C 13 62.91218098 0.0003273493169 . . . . . . . 5 CYS CA . 51826 1 15 . 1 . 1 5 5 CYS CB C 13 34.74300859 0.003360348016 . . . . . . . 5 CYS CB . 51826 1 16 . 1 . 1 5 5 CYS N N 15 126.2234733 2.336015456e-06 . . . . . . . 5 CYS N . 51826 1 17 . 1 . 1 6 6 ASP H H 1 8.908600303 0.00196118947 . . . . . . . 6 ASP H . 51826 1 18 . 1 . 1 6 6 ASP C C 13 175.6206846 0.003239490578 . . . . . . . 6 ASP C . 51826 1 19 . 1 . 1 6 6 ASP CA C 13 58.71226549 0.0243288432 . . . . . . . 6 ASP CA . 51826 1 20 . 1 . 1 6 6 ASP CB C 13 43.35852896 0.01770039818 . . . . . . . 6 ASP CB . 51826 1 21 . 1 . 1 6 6 ASP N N 15 128.5361519 2.697398305e-06 . . . . . . . 6 ASP N . 51826 1 22 . 1 . 1 7 7 SER H H 1 8.791925675 0.01358128594 . . . . . . . 7 SER H . 51826 1 23 . 1 . 1 7 7 SER C C 13 175.5166447 0.0167933564 . . . . . . . 7 SER C . 51826 1 24 . 1 . 1 7 7 SER CA C 13 62.647607 0 . . . . . . . 7 SER CA . 51826 1 25 . 1 . 1 7 7 SER CB C 13 65.37298554 0.01857264613 . . . . . . . 7 SER CB . 51826 1 26 . 1 . 1 7 7 SER N N 15 115.5132728 2.336015456e-06 . . . . . . . 7 SER N . 51826 1 27 . 1 . 1 8 8 CYS H H 1 8.87482537 0.007694599128 . . . . . . . 8 CYS H . 51826 1 28 . 1 . 1 8 8 CYS C C 13 176.3667217 0.01261985515 . . . . . . . 8 CYS C . 51826 1 29 . 1 . 1 8 8 CYS CA C 13 62.00350854 0.01563960753 . . . . . . . 8 CYS CA . 51826 1 30 . 1 . 1 8 8 CYS CB C 13 35.43171921 0.07314320187 . . . . . . . 8 CYS CB . 51826 1 31 . 1 . 1 8 8 CYS N N 15 120.0925703 3.30362474e-06 . . . . . . . 8 CYS N . 51826 1 32 . 1 . 1 9 9 ARG H H 1 7.975752724 0.01078927552 . . . . . . . 9 ARG H . 51826 1 33 . 1 . 1 9 9 ARG C C 13 174.9075277 0.007305457504 . . . . . . . 9 ARG C . 51826 1 34 . 1 . 1 9 9 ARG CA C 13 60.67321716 0.01429367142 . . . . . . . 9 ARG CA . 51826 1 35 . 1 . 1 9 9 ARG CB C 13 28.77788294 0.07126452904 . . . . . . . 9 ARG CB . 51826 1 36 . 1 . 1 9 9 ARG N N 15 116.6077741 2.336015456e-06 . . . . . . . 9 ARG N . 51826 1 37 . 1 . 1 10 10 ALA H H 1 8.777705854 0.007275720984 . . . . . . . 10 ALA H . 51826 1 38 . 1 . 1 10 10 ALA C C 13 175.2433271 0.0006513002126 . . . . . . . 10 ALA C . 51826 1 39 . 1 . 1 10 10 ALA CA C 13 56.55350113 0.009484512663 . . . . . . . 10 ALA CA . 51826 1 40 . 1 . 1 10 10 ALA CB C 13 23.07079397 0.02697413369 . . . . . . . 10 ALA CB . 51826 1 41 . 1 . 1 10 10 ALA N N 15 125.5486129 3.30362474e-06 . . . . . . . 10 ALA N . 51826 1 42 . 1 . 1 11 11 GLN H H 1 7.90648933 0.007296211882 . . . . . . . 11 GLN H . 51826 1 43 . 1 . 1 11 11 GLN C C 13 174.5944126 0.03812862355 . . . . . . . 11 GLN C . 51826 1 44 . 1 . 1 11 11 GLN CA C 13 57.53211051 0.006228885962 . . . . . . . 11 GLN CA . 51826 1 45 . 1 . 1 11 11 GLN CB C 13 33.77143725 0.03692052988 . . . . . . . 11 GLN CB . 51826 1 46 . 1 . 1 11 11 GLN N N 15 117.7983258 0 . . . . . . . 11 GLN N . 51826 1 47 . 1 . 1 12 12 TYR H H 1 8.544217995 0.006798362609 . . . . . . . 12 TYR H . 51826 1 48 . 1 . 1 12 12 TYR C C 13 173.9225622 0.03995998782 . . . . . . . 12 TYR C . 51826 1 49 . 1 . 1 12 12 TYR CA C 13 59.39628015 0.00978713175 . . . . . . . 12 TYR CA . 51826 1 50 . 1 . 1 12 12 TYR CB C 13 46.34669952 0.02089096725 . . . . . . . 12 TYR CB . 51826 1 51 . 1 . 1 12 12 TYR N N 15 120.7897443 2.697398305e-06 . . . . . . . 12 TYR N . 51826 1 52 . 1 . 1 13 13 MET H H 1 8.508528434 0.002724766455 . . . . . . . 13 MET H . 51826 1 53 . 1 . 1 13 13 MET C C 13 174.447863 0.003384472315 . . . . . . . 13 MET C . 51826 1 54 . 1 . 1 13 13 MET CA C 13 57.04501847 0.01840870327 . . . . . . . 13 MET CA . 51826 1 55 . 1 . 1 13 13 MET CB C 13 39.17930349 0.005661189413 . . . . . . . 13 MET CB . 51826 1 56 . 1 . 1 13 13 MET N N 15 117.0339192 3.015782986e-06 . . . . . . . 13 MET N . 51826 1 57 . 1 . 1 14 14 ILE H H 1 8.985801511 0.002647995935 . . . . . . . 14 ILE H . 51826 1 58 . 1 . 1 14 14 ILE C C 13 173.1723094 0.01586192545 . . . . . . . 14 ILE C . 51826 1 59 . 1 . 1 14 14 ILE CA C 13 62.42990084 0.01229804799 . . . . . . . 14 ILE CA . 51826 1 60 . 1 . 1 14 14 ILE CB C 13 45.46948157 0.003155130263 . . . . . . . 14 ILE CB . 51826 1 61 . 1 . 1 14 14 ILE N N 15 120.2711701 0 . . . . . . . 14 ILE N . 51826 1 62 . 1 . 1 15 15 SER H H 1 8.6362828 0.001971042317 . . . . . . . 15 SER H . 51826 1 63 . 1 . 1 15 15 SER C C 13 175.5460889 0.006413107724 . . . . . . . 15 SER C . 51826 1 64 . 1 . 1 15 15 SER CA C 13 61.53431036 0.003603065941 . . . . . . . 15 SER CA . 51826 1 65 . 1 . 1 15 15 SER CB C 13 66.25411667 0.02156704319 . . . . . . . 15 SER CB . 51826 1 66 . 1 . 1 15 15 SER N N 15 121.7848782 2.697398305e-06 . . . . . . . 15 SER N . 51826 1 67 . 1 . 1 16 16 ASP H H 1 8.632219621 0.0009150320644 . . . . . . . 16 ASP H . 51826 1 68 . 1 . 1 16 16 ASP C C 13 177.2617688 0.005026530994 . . . . . . . 16 ASP C . 51826 1 69 . 1 . 1 16 16 ASP CA C 13 59.15750059 0.0150181811 . . . . . . . 16 ASP CA . 51826 1 70 . 1 . 1 16 16 ASP CB C 13 43.25077441 0.0278217426 . . . . . . . 16 ASP CB . 51826 1 71 . 1 . 1 16 16 ASP N N 15 125.1597989 1.348699152e-06 . . . . . . . 16 ASP N . 51826 1 72 . 1 . 1 17 17 ASP H H 1 8.30660971 0.002807587965 . . . . . . . 17 ASP H . 51826 1 73 . 1 . 1 17 17 ASP C C 13 176.8075019 0.07500070546 . . . . . . . 17 ASP C . 51826 1 74 . 1 . 1 17 17 ASP CA C 13 57.96233846 0.03236773633 . . . . . . . 17 ASP CA . 51826 1 75 . 1 . 1 17 17 ASP CB C 13 42.79496748 0.0747445966 . . . . . . . 17 ASP CB . 51826 1 76 . 1 . 1 17 17 ASP N N 15 118.1219981 1.907348633e-06 . . . . . . . 17 ASP N . 51826 1 77 . 1 . 1 18 18 LYS H H 1 7.826763166 0.002938223452 . . . . . . . 18 LYS H . 51826 1 78 . 1 . 1 18 18 LYS C C 13 175.6325259 0.01758077669 . . . . . . . 18 LYS C . 51826 1 79 . 1 . 1 18 18 LYS CA C 13 58.47034815 0.02164227795 . . . . . . . 18 LYS CA . 51826 1 80 . 1 . 1 18 18 LYS CB C 13 35.24721733 0.04878119189 . . . . . . . 18 LYS CB . 51826 1 81 . 1 . 1 18 18 LYS N N 15 117.6945173 0 . . . . . . . 18 LYS N . 51826 1 82 . 1 . 1 19 19 ILE H H 1 7.266380269 0.00128675889 . . . . . . . 19 ILE H . 51826 1 83 . 1 . 1 19 19 ILE C C 13 175.2497996 0.009294939843 . . . . . . . 19 ILE C . 51826 1 84 . 1 . 1 19 19 ILE CA C 13 64.50582513 0.006739616596 . . . . . . . 19 ILE CA . 51826 1 85 . 1 . 1 19 19 ILE CB C 13 40.93603126 0.03120290499 . . . . . . . 19 ILE CB . 51826 1 86 . 1 . 1 19 19 ILE N N 15 118.8100936 2.697398305e-06 . . . . . . . 19 ILE N . 51826 1 87 . 1 . 1 20 20 GLY H H 1 7.624520587 0.003095359236 . . . . . . . 20 GLY H . 51826 1 88 . 1 . 1 20 20 GLY C C 13 172.8085453 0 . . . . . . . 20 GLY C . 51826 1 89 . 1 . 1 20 20 GLY CA C 13 47.57644286 0 . . . . . . . 20 GLY CA . 51826 1 90 . 1 . 1 20 20 GLY N N 15 111.4061535 1.907348633e-06 . . . . . . . 20 GLY N . 51826 1 91 . 1 . 1 21 21 PRO C C 13 177.8272133 1.907348633e-06 . . . . . . . 21 PRO C . 51826 1 92 . 1 . 1 21 21 PRO CA C 13 67.51017378 0 . . . . . . . 21 PRO CA . 51826 1 93 . 1 . 1 21 21 PRO CB C 13 35.03184813 0 . . . . . . . 21 PRO CB . 51826 1 94 . 1 . 1 22 22 LYS H H 1 8.457233993 0.001149805559 . . . . . . . 22 LYS H . 51826 1 95 . 1 . 1 22 22 LYS C C 13 177.0562858 0.004256047072 . . . . . . . 22 LYS C . 51826 1 96 . 1 . 1 22 22 LYS CA C 13 58.57492193 0.0401683364 . . . . . . . 22 LYS CA . 51826 1 97 . 1 . 1 22 22 LYS CB C 13 35.38994875 0.05271267548 . . . . . . . 22 LYS CB . 51826 1 98 . 1 . 1 22 22 LYS N N 15 115.4564582 0.003726470402 . . . . . . . 22 LYS N . 51826 1 99 . 1 . 1 23 23 GLY H H 1 7.828313218 0.00804376328 . . . . . . . 23 GLY H . 51826 1 100 . 1 . 1 23 23 GLY C C 13 172.4000953 0.02023174909 . . . . . . . 23 GLY C . 51826 1 101 . 1 . 1 23 23 GLY CA C 13 47.51666436 0.03004469121 . . . . . . . 23 GLY CA . 51826 1 102 . 1 . 1 23 23 GLY N N 15 107.2680431 0.003735044245 . . . . . . . 23 GLY N . 51826 1 103 . 1 . 1 24 24 VAL H H 1 8.429473617 0.002869184303 . . . . . . . 24 VAL H . 51826 1 104 . 1 . 1 24 24 VAL C C 13 172.8824281 0.002916151431 . . . . . . . 24 VAL C . 51826 1 105 . 1 . 1 24 24 VAL CA C 13 62.75186493 0.003565740062 . . . . . . . 24 VAL CA . 51826 1 106 . 1 . 1 24 24 VAL CB C 13 38.41894241 0.004859101759 . . . . . . . 24 VAL CB . 51826 1 107 . 1 . 1 24 24 VAL N N 15 115.1718425 0 . . . . . . . 24 VAL N . 51826 1 108 . 1 . 1 25 25 LYS H H 1 8.23014391 0.004392797466 . . . . . . . 25 LYS H . 51826 1 109 . 1 . 1 25 25 LYS C C 13 175.4832773 0.004400976243 . . . . . . . 25 LYS C . 51826 1 110 . 1 . 1 25 25 LYS CA C 13 57.62341057 0 . . . . . . . 25 LYS CA . 51826 1 111 . 1 . 1 25 25 LYS CB C 13 36.68016042 0 . . . . . . . 25 LYS CB . 51826 1 112 . 1 . 1 25 25 LYS N N 15 123.5863196 0.002582442635 . . . . . . . 25 LYS N . 51826 1 113 . 1 . 1 26 26 VAL H H 1 8.970356008 0.0009529241353 . . . . . . . 26 VAL H . 51826 1 114 . 1 . 1 26 26 VAL C C 13 173.6920078 0.009892437895 . . . . . . . 26 VAL C . 51826 1 115 . 1 . 1 26 26 VAL CA C 13 62.44456967 0.02755527351 . . . . . . . 26 VAL CA . 51826 1 116 . 1 . 1 26 26 VAL CB C 13 38.27405248 0.04807447211 . . . . . . . 26 VAL CB . 51826 1 117 . 1 . 1 26 26 VAL N N 15 120.8774233 1.907348633e-06 . . . . . . . 26 VAL N . 51826 1 118 . 1 . 1 27 27 ARG H H 1 8.545206598 0.003696672594 . . . . . . . 27 ARG H . 51826 1 119 . 1 . 1 27 27 ARG C C 13 175.3413734 0.003283194722 . . . . . . . 27 ARG C . 51826 1 120 . 1 . 1 27 27 ARG CA C 13 57.6797466 0.01594564467 . . . . . . . 27 ARG CA . 51826 1 121 . 1 . 1 27 27 ARG CB C 13 33.66456943 0.002002751543 . . . . . . . 27 ARG CB . 51826 1 122 . 1 . 1 27 27 ARG N N 15 125.1401524 0.009681038048 . . . . . . . 27 ARG N . 51826 1 123 . 1 . 1 28 28 CYS H H 1 9.337853165 0.01139001149 . . . . . . . 28 CYS H . 51826 1 124 . 1 . 1 28 28 CYS C C 13 177.5504718 0.02202380382 . . . . . . . 28 CYS C . 51826 1 125 . 1 . 1 28 28 CYS CA C 13 63.18915912 0.002256875055 . . . . . . . 28 CYS CA . 51826 1 126 . 1 . 1 28 28 CYS CB C 13 33.67713195 0.01055977404 . . . . . . . 28 CYS CB . 51826 1 127 . 1 . 1 28 28 CYS N N 15 129.0890087 0.009357856714 . . . . . . . 28 CYS N . 51826 1 128 . 1 . 1 29 29 LYS H H 1 7.854098046 0.003153623291 . . . . . . . 29 LYS H . 51826 1 129 . 1 . 1 29 29 LYS C C 13 175.8659511 0.003664855623 . . . . . . . 29 LYS C . 51826 1 130 . 1 . 1 29 29 LYS CA C 13 60.92670824 0.07928369861 . . . . . . . 29 LYS CA . 51826 1 131 . 1 . 1 29 29 LYS CB C 13 35.66467334 0.09598243374 . . . . . . . 29 LYS CB . 51826 1 132 . 1 . 1 29 29 LYS N N 15 130.0713364 1.907348633e-06 . . . . . . . 29 LYS N . 51826 1 133 . 1 . 1 30 30 LYS H H 1 8.867692741 0.002356461049 . . . . . . . 30 LYS H . 51826 1 134 . 1 . 1 30 30 LYS C C 13 177.4972063 0.01519158944 . . . . . . . 30 LYS C . 51826 1 135 . 1 . 1 30 30 LYS CA C 13 60.81293452 0.03449002959 . . . . . . . 30 LYS CA . 51826 1 136 . 1 . 1 30 30 LYS CB C 13 35.81490201 0.05424623562 . . . . . . . 30 LYS CB . 51826 1 137 . 1 . 1 30 30 LYS N N 15 121.4499985 1.348699152e-06 . . . . . . . 30 LYS N . 51826 1 138 . 1 . 1 31 31 CYS H H 1 8.757331684 0.005961795437 . . . . . . . 31 CYS H . 51826 1 139 . 1 . 1 31 31 CYS C C 13 176.936194 0.01077154788 . . . . . . . 31 CYS C . 51826 1 140 . 1 . 1 31 31 CYS CA C 13 61.5402994 0.01390664719 . . . . . . . 31 CYS CA . 51826 1 141 . 1 . 1 31 31 CYS CB C 13 35.91572547 0.06404301777 . . . . . . . 31 CYS CB . 51826 1 142 . 1 . 1 31 31 CYS N N 15 118.7778431 3.015782986e-06 . . . . . . . 31 CYS N . 51826 1 143 . 1 . 1 32 32 GLY H H 1 7.851461008 0.01021021106 . . . . . . . 32 GLY H . 51826 1 144 . 1 . 1 32 32 GLY C C 13 173.1149812 0 . . . . . . . 32 GLY C . 51826 1 145 . 1 . 1 32 32 GLY CA C 13 48.92381839 0.02749925348 . . . . . . . 32 GLY CA . 51826 1 146 . 1 . 1 32 32 GLY N N 15 112.7071029 0.005317744258 . . . . . . . 32 GLY N . 51826 1 147 . 1 . 1 33 33 HIS H H 1 8.96494407 0.004902845245 . . . . . . . 33 HIS H . 51826 1 148 . 1 . 1 33 33 HIS C C 13 174.3041175 0 . . . . . . . 33 HIS C . 51826 1 149 . 1 . 1 33 33 HIS CA C 13 60.25691872 0 . . . . . . . 33 HIS CA . 51826 1 150 . 1 . 1 33 33 HIS CB C 13 35.6184308 0 . . . . . . . 33 HIS CB . 51826 1 151 . 1 . 1 33 33 HIS N N 15 124.6230258 1.348699152e-06 . . . . . . . 33 HIS N . 51826 1 152 . 1 . 1 34 34 THR H H 1 7.693342591 0.001654002467 . . . . . . . 34 THR H . 51826 1 153 . 1 . 1 34 34 THR C C 13 172.7849481 1.907348633e-06 . . . . . . . 34 THR C . 51826 1 154 . 1 . 1 34 34 THR CA C 13 65.97505377 0.01780499227 . . . . . . . 34 THR CA . 51826 1 155 . 1 . 1 34 34 THR CB C 13 71.41955344 0.04254080708 . . . . . . . 34 THR CB . 51826 1 156 . 1 . 1 34 34 THR N N 15 121.1155473 0.005576735145 . . . . . . . 34 THR N . 51826 1 157 . 1 . 1 35 35 ILE H H 1 9.27346052 0.01267028511 . . . . . . . 35 ILE H . 51826 1 158 . 1 . 1 35 35 ILE C C 13 175.2962302 0.003134896187 . . . . . . . 35 ILE C . 51826 1 159 . 1 . 1 35 35 ILE CA C 13 63.42106994 0.003648006895 . . . . . . . 35 ILE CA . 51826 1 160 . 1 . 1 35 35 ILE CB C 13 43.87777792 0.03913625339 . . . . . . . 35 ILE CB . 51826 1 161 . 1 . 1 35 35 ILE N N 15 130.1671979 1.907348633e-06 . . . . . . . 35 ILE N . 51826 1 162 . 1 . 1 36 36 THR H H 1 8.703245582 0.002650557787 . . . . . . . 36 THR H . 51826 1 163 . 1 . 1 36 36 THR C C 13 173.3966992 0.02507701664 . . . . . . . 36 THR C . 51826 1 164 . 1 . 1 36 36 THR CA C 13 65.35767832 0.03689860638 . . . . . . . 36 THR CA . 51826 1 165 . 1 . 1 36 36 THR CB C 13 71.70671652 0.04228580852 . . . . . . . 36 THR CB . 51826 1 166 . 1 . 1 36 36 THR N N 15 122.9769807 2.336015456e-06 . . . . . . . 36 THR N . 51826 1 167 . 1 . 1 37 37 VAL H H 1 8.919664582 0.001205768292 . . . . . . . 37 VAL H . 51826 1 168 . 1 . 1 37 37 VAL C C 13 174.3586554 0.006268870016 . . . . . . . 37 VAL C . 51826 1 169 . 1 . 1 37 37 VAL CA C 13 64.62355338 0.004467621976 . . . . . . . 37 VAL CA . 51826 1 170 . 1 . 1 37 37 VAL CB C 13 34.76241176 0.08022694291 . . . . . . . 37 VAL CB . 51826 1 171 . 1 . 1 37 37 VAL N N 15 130.0670004 2.697398305e-06 . . . . . . . 37 VAL N . 51826 1 172 . 1 . 1 38 38 ARG H H 1 8.243756847 0.002193726294 . . . . . . . 38 ARG H . 51826 1 173 . 1 . 1 38 38 ARG C C 13 172.940103 0 . . . . . . . 38 ARG C . 51826 1 174 . 1 . 1 38 38 ARG CA C 13 56.25744408 0 . . . . . . . 38 ARG CA . 51826 1 175 . 1 . 1 38 38 ARG CB C 13 33.45481914 0 . . . . . . . 38 ARG CB . 51826 1 176 . 1 . 1 38 38 ARG N N 15 125.3965885 0 . . . . . . . 38 ARG N . 51826 1 177 . 1 . 1 39 39 PRO C C 13 176.3130225 0 . . . . . . . 39 PRO C . 51826 1 178 . 1 . 1 39 39 PRO CA C 13 65.52708049 0 . . . . . . . 39 PRO CA . 51826 1 179 . 1 . 1 39 39 PRO CB C 13 34.79567869 0 . . . . . . . 39 PRO CB . 51826 1 180 . 1 . 1 40 40 ALA H H 1 8.513757345 0.002942039891 . . . . . . . 40 ALA H . 51826 1 181 . 1 . 1 40 40 ALA C C 13 178.2750457 0.02829887292 . . . . . . . 40 ALA C . 51826 1 182 . 1 . 1 40 40 ALA CA C 13 55.69542038 0.01643958346 . . . . . . . 40 ALA CA . 51826 1 183 . 1 . 1 40 40 ALA CB C 13 21.79509043 0.1114386156 . . . . . . . 40 ALA CB . 51826 1 184 . 1 . 1 40 40 ALA N N 15 124.2650702 1.348699152e-06 . . . . . . . 40 ALA N . 51826 1 185 . 1 . 1 41 41 GLY H H 1 8.402524522 0.002023358361 . . . . . . . 41 GLY H . 51826 1 186 . 1 . 1 41 41 GLY C C 13 173.7992326 0.04208941569 . . . . . . . 41 GLY C . 51826 1 187 . 1 . 1 41 41 GLY CA C 13 47.95014845 0.01474289307 . . . . . . . 41 GLY CA . 51826 1 188 . 1 . 1 41 41 GLY N N 15 108.0560144 0.005270170464 . . . . . . . 41 GLY N . 51826 1 189 . 1 . 1 42 42 ALA H H 1 8.101243685 0.001238861038 . . . . . . . 42 ALA H . 51826 1 190 . 1 . 1 42 42 ALA C C 13 177.7392486 0 . . . . . . . 42 ALA C . 51826 1 191 . 1 . 1 42 42 ALA CA C 13 55.41987576 0 . . . . . . . 42 ALA CA . 51826 1 192 . 1 . 1 42 42 ALA CB C 13 21.79436132 0 . . . . . . . 42 ALA CB . 51826 1 193 . 1 . 1 42 42 ALA N N 15 123.7511286 0.02233487051 . . . . . . . 42 ALA N . 51826 1 194 . 1 . 1 43 43 THR H H 1 8.113633291 0.002692251439 . . . . . . . 43 THR H . 51826 1 195 . 1 . 1 43 43 THR C C 13 174.0971536 0.001239403889 . . . . . . . 43 THR C . 51826 1 196 . 1 . 1 43 43 THR CA C 13 64.3465669 0.02408537864 . . . . . . . 43 THR CA . 51826 1 197 . 1 . 1 43 43 THR CB C 13 72.5074371 0.009343158618 . . . . . . . 43 THR CB . 51826 1 198 . 1 . 1 43 43 THR N N 15 113.349148 0.01451833224 . . . . . . . 43 THR N . 51826 1 199 . 1 . 1 44 44 ALA H H 1 8.25880038 0.01642960664 . . . . . . . 44 ALA H . 51826 1 200 . 1 . 1 44 44 ALA C C 13 173.782257 0 . . . . . . . 44 ALA C . 51826 1 201 . 1 . 1 44 44 ALA CA C 13 55.92353064 0.001063497601 . . . . . . . 44 ALA CA . 51826 1 202 . 1 . 1 44 44 ALA CB C 13 21.64087241 0 . . . . . . . 44 ALA CB . 51826 1 203 . 1 . 1 44 44 ALA N N 15 124.3439064 0.001968153674 . . . . . . . 44 ALA N . 51826 1 204 . 1 . 1 47 47 ASP H H 1 8.237100167 0 . . . . . . . 47 ASP H . 51826 1 205 . 1 . 1 47 47 ASP N N 15 124.0992468 0 . . . . . . . 47 ASP N . 51826 1 206 . 1 . 1 57 57 ALA H H 1 8.143782214 0.001436166004 . . . . . . . 57 ALA H . 51826 1 207 . 1 . 1 57 57 ALA N N 15 124.077163 1.907348633e-06 . . . . . . . 57 ALA N . 51826 1 208 . 1 . 1 58 58 SER H H 1 8.131092816 0.001112840191 . . . . . . . 58 SER H . 51826 1 209 . 1 . 1 58 58 SER N N 15 113.188309 1.907348633e-06 . . . . . . . 58 SER N . 51826 1 210 . 1 . 1 59 59 ALA C C 13 177.9533739 2.697398305e-06 . . . . . . . 59 ALA C . 51826 1 211 . 1 . 1 59 59 ALA CA C 13 55.7909323 0 . . . . . . . 59 ALA CA . 51826 1 212 . 1 . 1 59 59 ALA CB C 13 21.65604957 0 . . . . . . . 59 ALA CB . 51826 1 213 . 1 . 1 60 60 SER H H 1 8.170720774 0.01622288278 . . . . . . . 60 SER H . 51826 1 214 . 1 . 1 60 60 SER C C 13 174.6253747 0.03295510929 . . . . . . . 60 SER C . 51826 1 215 . 1 . 1 60 60 SER CA C 13 61.18019024 0.1420806162 . . . . . . . 60 SER CA . 51826 1 216 . 1 . 1 60 60 SER CB C 13 66.50390336 0.05407519987 . . . . . . . 60 SER CB . 51826 1 217 . 1 . 1 60 60 SER N N 15 114.7033158 0.05106816936 . . . . . . . 60 SER N . 51826 1 218 . 1 . 1 61 61 THR H H 1 8.13221126 0.002124057526 . . . . . . . 61 THR H . 51826 1 219 . 1 . 1 61 61 THR C C 13 173.9687815 0.01239100815 . . . . . . . 61 THR C . 51826 1 220 . 1 . 1 61 61 THR CA C 13 64.59861499 0.01006047327 . . . . . . . 61 THR CA . 51826 1 221 . 1 . 1 61 61 THR CB C 13 72.51427242 0 . . . . . . . 61 THR CB . 51826 1 222 . 1 . 1 61 61 THR N N 15 115.3884722 0.01713999511 . . . . . . . 61 THR N . 51826 1 223 . 1 . 1 62 62 ASP H H 1 8.31691861 0.003494822022 . . . . . . . 62 ASP H . 51826 1 224 . 1 . 1 62 62 ASP C C 13 176.1631113 0.0198248125 . . . . . . . 62 ASP C . 51826 1 225 . 1 . 1 62 62 ASP CA C 13 57.20031492 0.05627998305 . . . . . . . 62 ASP CA . 51826 1 226 . 1 . 1 62 62 ASP CB C 13 43.84211707 0.006438285346 . . . . . . . 62 ASP CB . 51826 1 227 . 1 . 1 62 62 ASP N N 15 122.9408671 1.348699152e-06 . . . . . . . 62 ASP N . 51826 1 228 . 1 . 1 63 63 VAL H H 1 8.051126577 0.003018440783 . . . . . . . 63 VAL H . 51826 1 229 . 1 . 1 63 63 VAL C C 13 176.6393373 0.0209033676 . . . . . . . 63 VAL C . 51826 1 230 . 1 . 1 63 63 VAL CA C 13 65.42011664 0.008889970489 . . . . . . . 63 VAL CA . 51826 1 231 . 1 . 1 63 63 VAL CB C 13 35.05870221 0.02198669416 . . . . . . . 63 VAL CB . 51826 1 232 . 1 . 1 63 63 VAL N N 15 119.9860907 0 . . . . . . . 63 VAL N . 51826 1 233 . 1 . 1 64 64 GLY H H 1 8.512224893 0.001762104823 . . . . . . . 64 GLY H . 51826 1 234 . 1 . 1 64 64 GLY C C 13 174.1316191 0.003516273637 . . . . . . . 64 GLY C . 51826 1 235 . 1 . 1 64 64 GLY CA C 13 48.19514262 0.008664195565 . . . . . . . 64 GLY CA . 51826 1 236 . 1 . 1 64 64 GLY N N 15 111.8590692 2.336015456e-06 . . . . . . . 64 GLY N . 51826 1 237 . 1 . 1 65 65 LYS H H 1 8.13044234 0.00242897585 . . . . . . . 65 LYS H . 51826 1 238 . 1 . 1 65 65 LYS C C 13 176.9646177 0.008921612577 . . . . . . . 65 LYS C . 51826 1 239 . 1 . 1 65 65 LYS CA C 13 59.15102688 0.007598784194 . . . . . . . 65 LYS CA . 51826 1 240 . 1 . 1 65 65 LYS CB C 13 35.67848879 0.007374631283 . . . . . . . 65 LYS CB . 51826 1 241 . 1 . 1 65 65 LYS N N 15 120.7405011 0 . . . . . . . 65 LYS N . 51826 1 242 . 1 . 1 66 66 GLY H H 1 8.473867472 0.0007215286102 . . . . . . . 66 GLY H . 51826 1 243 . 1 . 1 66 66 GLY C C 13 174.1384932 0 . . . . . . . 66 GLY C . 51826 1 244 . 1 . 1 66 66 GLY CA C 13 48.1489896 0 . . . . . . . 66 GLY CA . 51826 1 245 . 1 . 1 66 66 GLY N N 15 110.0028182 0.003135091722 . . . . . . . 66 GLY N . 51826 1 246 . 1 . 1 68 68 ASP C C 13 176.163671 1.907348633e-06 . . . . . . . 68 ASP C . 51826 1 247 . 1 . 1 68 68 ASP CA C 13 57.01617142 0 . . . . . . . 68 ASP CA . 51826 1 248 . 1 . 1 68 68 ASP CB C 13 43.88104542 0 . . . . . . . 68 ASP CB . 51826 1 249 . 1 . 1 69 69 ALA H H 1 8.278153193 0.004306362797 . . . . . . . 69 ALA H . 51826 1 250 . 1 . 1 69 69 ALA C C 13 177.832131 0.05000624906 . . . . . . . 69 ALA C . 51826 1 251 . 1 . 1 69 69 ALA CA C 13 55.6911648 0.01891668523 . . . . . . . 69 ALA CA . 51826 1 252 . 1 . 1 69 69 ALA CB C 13 21.74727605 0.03113693018 . . . . . . . 69 ALA CB . 51826 1 253 . 1 . 1 69 69 ALA N N 15 124.8190497 0.05581606063 . . . . . . . 69 ALA N . 51826 1 254 . 1 . 1 70 70 SER H H 1 8.269010474 0.003006166064 . . . . . . . 70 SER H . 51826 1 255 . 1 . 1 70 70 SER C C 13 174.300677 0.002389500607 . . . . . . . 70 SER C . 51826 1 256 . 1 . 1 70 70 SER CA C 13 61.48659107 0.03238631028 . . . . . . . 70 SER CA . 51826 1 257 . 1 . 1 70 70 SER CB C 13 66.46748378 0.006269660876 . . . . . . . 70 SER CB . 51826 1 258 . 1 . 1 70 70 SER N N 15 114.7388881 3.30362474e-06 . . . . . . . 70 SER N . 51826 1 259 . 1 . 1 71 71 ALA H H 1 8.12555442 0.002467531422 . . . . . . . 71 ALA H . 51826 1 260 . 1 . 1 71 71 ALA C C 13 177.2582306 0.009805655391 . . . . . . . 71 ALA C . 51826 1 261 . 1 . 1 71 71 ALA CA C 13 55.40946256 0.01257615955 . . . . . . . 71 ALA CA . 51826 1 262 . 1 . 1 71 71 ALA CB C 13 21.85233717 0.04811012276 . . . . . . . 71 ALA CB . 51826 1 263 . 1 . 1 71 71 ALA N N 15 125.5268691 1.907348633e-06 . . . . . . . 71 ALA N . 51826 1 264 . 1 . 1 72 72 ALA H H 1 8.117623763 0.004205066642 . . . . . . . 72 ALA H . 51826 1 265 . 1 . 1 72 72 ALA C C 13 177.6509756 0.005833709592 . . . . . . . 72 ALA C . 51826 1 266 . 1 . 1 72 72 ALA CA C 13 55.32167996 0.07524538338 . . . . . . . 72 ALA CA . 51826 1 267 . 1 . 1 72 72 ALA CB C 13 21.95868344 0.01627553712 . . . . . . . 72 ALA CB . 51826 1 268 . 1 . 1 72 72 ALA N N 15 122.4565327 0.0009525254005 . . . . . . . 72 ALA N . 51826 1 269 . 1 . 1 73 73 THR H H 1 7.998802106 0.002854630325 . . . . . . . 73 THR H . 51826 1 270 . 1 . 1 73 73 THR C C 13 174.0884142 0.02093206277 . . . . . . . 73 THR C . 51826 1 271 . 1 . 1 73 73 THR CA C 13 64.48341795 0.01995232066 . . . . . . . 73 THR CA . 51826 1 272 . 1 . 1 73 73 THR CB C 13 72.60635448 0.03000890463 . . . . . . . 73 THR CB . 51826 1 273 . 1 . 1 73 73 THR N N 15 112.8145348 0.0155076263 . . . . . . . 73 THR N . 51826 1 274 . 1 . 1 74 74 MET H H 1 8.272457625 0.004546485397 . . . . . . . 74 MET H . 51826 1 275 . 1 . 1 74 74 MET C C 13 173.8252266 0 . . . . . . . 74 MET C . 51826 1 276 . 1 . 1 74 74 MET CA C 13 56.12890287 0 . . . . . . . 74 MET CA . 51826 1 277 . 1 . 1 74 74 MET CB C 13 35.27490474 0 . . . . . . . 74 MET CB . 51826 1 278 . 1 . 1 74 74 MET N N 15 123.9522718 3.30362474e-06 . . . . . . . 74 MET N . 51826 1 279 . 1 . 1 75 75 PRO C C 13 176.3500068 1.907348633e-06 . . . . . . . 75 PRO C . 51826 1 280 . 1 . 1 75 75 PRO CA C 13 65.84572979 0 . . . . . . . 75 PRO CA . 51826 1 281 . 1 . 1 75 75 PRO CB C 13 34.81062225 4.768371582e-07 . . . . . . . 75 PRO CB . 51826 1 282 . 1 . 1 76 76 ALA H H 1 8.40717488 0.003438597989 . . . . . . . 76 ALA H . 51826 1 283 . 1 . 1 76 76 ALA C C 13 177.7077525 0.0007622405666 . . . . . . . 76 ALA C . 51826 1 284 . 1 . 1 76 76 ALA CA C 13 55.34246958 0.03994245604 . . . . . . . 76 ALA CA . 51826 1 285 . 1 . 1 76 76 ALA CB C 13 21.95669166 0.02051407778 . . . . . . . 76 ALA CB . 51826 1 286 . 1 . 1 76 76 ALA N N 15 124.2075017 0 . . . . . . . 76 ALA N . 51826 1 287 . 1 . 1 77 77 THR H H 1 8.069990694 0.005828204167 . . . . . . . 77 THR H . 51826 1 288 . 1 . 1 77 77 THR C C 13 174.2489029 0 . . . . . . . 77 THR C . 51826 1 289 . 1 . 1 77 77 THR CA C 13 64.39962382 0.04259311111 . . . . . . . 77 THR CA . 51826 1 290 . 1 . 1 77 77 THR CB C 13 72.60934003 0.005959571924 . . . . . . . 77 THR CB . 51826 1 291 . 1 . 1 77 77 THR N N 15 113.113925 0.001497246809 . . . . . . . 77 THR N . 51826 1 292 . 1 . 1 78 78 LEU H H 1 8.247071072 0.001132610547 . . . . . . . 78 LEU H . 51826 1 293 . 1 . 1 78 78 LEU C C 13 177.3690616 0.01467685179 . . . . . . . 78 LEU C . 51826 1 294 . 1 . 1 78 78 LEU CA C 13 58.03514807 0.01588647327 . . . . . . . 78 LEU CA . 51826 1 295 . 1 . 1 78 78 LEU CB C 13 45.30060317 0.07713327149 . . . . . . . 78 LEU CB . 51826 1 296 . 1 . 1 78 78 LEU N N 15 124.7691242 0.002629602978 . . . . . . . 78 LEU N . 51826 1 297 . 1 . 1 79 79 GLY H H 1 8.364344547 0.001253171479 . . . . . . . 79 GLY H . 51826 1 298 . 1 . 1 79 79 GLY C C 13 173.5864923 0.02002980033 . . . . . . . 79 GLY C . 51826 1 299 . 1 . 1 79 79 GLY CA C 13 47.88588264 0.002597932596 . . . . . . . 79 GLY CA . 51826 1 300 . 1 . 1 79 79 GLY N N 15 109.5946548 2.336015456e-06 . . . . . . . 79 GLY N . 51826 1 301 . 1 . 1 80 80 THR H H 1 8.022909013 0.002224647849 . . . . . . . 80 THR H . 51826 1 302 . 1 . 1 80 80 THR C C 13 172.2794208 0 . . . . . . . 80 THR C . 51826 1 303 . 1 . 1 80 80 THR CA C 13 62.44165081 0 . . . . . . . 80 THR CA . 51826 1 304 . 1 . 1 80 80 THR CB C 13 72.54284624 0 . . . . . . . 80 THR CB . 51826 1 305 . 1 . 1 80 80 THR N N 15 116.3268448 1.348699152e-06 . . . . . . . 80 THR N . 51826 1 306 . 1 . 1 82 82 PRO C C 13 176.8829947 1.907348633e-06 . . . . . . . 82 PRO C . 51826 1 307 . 1 . 1 82 82 PRO CA C 13 65.90080891 0 . . . . . . . 82 PRO CA . 51826 1 308 . 1 . 1 82 82 PRO CB C 13 34.61505262 0 . . . . . . . 82 PRO CB . 51826 1 309 . 1 . 1 83 83 GLU H H 1 8.566863003 0.002035198951 . . . . . . . 83 GLU H . 51826 1 310 . 1 . 1 83 83 GLU C C 13 176.9334423 0.03036476134 . . . . . . . 83 GLU C . 51826 1 311 . 1 . 1 83 83 GLU CA C 13 59.68991484 0.0006140999877 . . . . . . . 83 GLU CA . 51826 1 312 . 1 . 1 83 83 GLU CB C 13 32.81965359 0.002609291707 . . . . . . . 83 GLU CB . 51826 1 313 . 1 . 1 83 83 GLU N N 15 120.9106398 3.568322551e-06 . . . . . . . 83 GLU N . 51826 1 314 . 1 . 1 84 84 GLY H H 1 8.434526231 0.003632257933 . . . . . . . 84 GLY H . 51826 1 315 . 1 . 1 84 84 GLY C C 13 174.2940619 0.01683864897 . . . . . . . 84 GLY C . 51826 1 316 . 1 . 1 84 84 GLY CA C 13 48.16020836 0.02498081353 . . . . . . . 84 GLY CA . 51826 1 317 . 1 . 1 84 84 GLY N N 15 110.0340338 2.697398305e-06 . . . . . . . 84 GLY N . 51826 1 318 . 1 . 1 85 85 GLY H H 1 8.190096041 0.003024443584 . . . . . . . 85 GLY H . 51826 1 319 . 1 . 1 85 85 GLY C C 13 173.4154942 0.0009401313478 . . . . . . . 85 GLY C . 51826 1 320 . 1 . 1 85 85 GLY CA C 13 47.90970081 0.01147871682 . . . . . . . 85 GLY CA . 51826 1 321 . 1 . 1 85 85 GLY N N 15 108.2045744 0.01210273917 . . . . . . . 85 GLY N . 51826 1 322 . 1 . 1 86 86 LEU H H 1 8.001315743 0.00228955906 . . . . . . . 86 LEU H . 51826 1 323 . 1 . 1 86 86 LEU C C 13 176.5834072 0.02757535564 . . . . . . . 86 LEU C . 51826 1 324 . 1 . 1 86 86 LEU CA C 13 57.77148121 0.000451400862 . . . . . . . 86 LEU CA . 51826 1 325 . 1 . 1 86 86 LEU CB C 13 45.44751554 0 . . . . . . . 86 LEU CB . 51826 1 326 . 1 . 1 86 86 LEU N N 15 121.1305806 0 . . . . . . . 86 LEU N . 51826 1 327 . 1 . 1 87 87 PHE H H 1 8.306719651 0.0008961781832 . . . . . . . 87 PHE H . 51826 1 328 . 1 . 1 87 87 PHE C C 13 175.3986818 0.052881859 . . . . . . . 87 PHE C . 51826 1 329 . 1 . 1 87 87 PHE CA C 13 60.18775663 0.001325652753 . . . . . . . 87 PHE CA . 51826 1 330 . 1 . 1 87 87 PHE CB C 13 42.63933727 0.09197643811 . . . . . . . 87 PHE CB . 51826 1 331 . 1 . 1 87 87 PHE N N 15 120.7957335 0.001646603702 . . . . . . . 87 PHE N . 51826 1 332 . 1 . 1 88 88 THR H H 1 8.182586088 0.005321796483 . . . . . . . 88 THR H . 51826 1 333 . 1 . 1 88 88 THR C C 13 173.5510901 0.0520152063 . . . . . . . 88 THR C . 51826 1 334 . 1 . 1 88 88 THR CA C 13 64.35585879 0.02273956429 . . . . . . . 88 THR CA . 51826 1 335 . 1 . 1 88 88 THR CB C 13 72.74491683 0.008810716188 . . . . . . . 88 THR CB . 51826 1 336 . 1 . 1 88 88 THR N N 15 115.5330591 1.907348633e-06 . . . . . . . 88 THR N . 51826 1 337 . 1 . 1 89 89 ASP H H 1 8.279025059 0.001481793254 . . . . . . . 89 ASP H . 51826 1 338 . 1 . 1 89 89 ASP C C 13 175.6665992 0.03947340556 . . . . . . . 89 ASP C . 51826 1 339 . 1 . 1 89 89 ASP CA C 13 57.09329321 0.03674050803 . . . . . . . 89 ASP CA . 51826 1 340 . 1 . 1 89 89 ASP CB C 13 44.01701558 0 . . . . . . . 89 ASP CB . 51826 1 341 . 1 . 1 89 89 ASP N N 15 123.3780212 0.02648900638 . . . . . . . 89 ASP N . 51826 1 342 . 1 . 1 90 90 VAL H H 1 8.037409573 0.002491927935 . . . . . . . 90 VAL H . 51826 1 343 . 1 . 1 90 90 VAL C C 13 175.6042999 0.1499689763 . . . . . . . 90 VAL C . 51826 1 344 . 1 . 1 90 90 VAL CA C 13 64.71986233 0.07122908231 . . . . . . . 90 VAL CA . 51826 1 345 . 1 . 1 90 90 VAL CB C 13 35.65585412 0.03584991669 . . . . . . . 90 VAL CB . 51826 1 346 . 1 . 1 90 90 VAL N N 15 119.645957 0 . . . . . . . 90 VAL N . 51826 1 347 . 1 . 1 91 91 GLU H H 1 8.513290002 0.002505373619 . . . . . . . 91 GLU H . 51826 1 348 . 1 . 1 91 91 GLU C C 13 175.6335876 0 . . . . . . . 91 GLU C . 51826 1 349 . 1 . 1 91 91 GLU CA C 13 58.93246053 0.0177536427 . . . . . . . 91 GLU CA . 51826 1 350 . 1 . 1 91 91 GLU CB C 13 33.41195939 0.001224187074 . . . . . . . 91 GLU CB . 51826 1 351 . 1 . 1 91 91 GLU N N 15 124.3596723 2.697398305e-06 . . . . . . . 91 GLU N . 51826 1 352 . 1 . 1 92 92 GLU H H 1 8.533031941 0.002720411825 . . . . . . . 92 GLU H . 51826 1 353 . 1 . 1 92 92 GLU C C 13 176.1340951 0.02973348709 . . . . . . . 92 GLU C . 51826 1 354 . 1 . 1 92 92 GLU CA C 13 59.87138849 0 . . . . . . . 92 GLU CA . 51826 1 355 . 1 . 1 92 92 GLU CB C 13 33.07992133 0.08834899548 . . . . . . . 92 GLU CB . 51826 1 356 . 1 . 1 92 92 GLU N N 15 122.0758157 2.336015456e-06 . . . . . . . 92 GLU N . 51826 1 357 . 1 . 1 93 93 ASP H H 1 8.340961802 0.001019629848 . . . . . . . 93 ASP H . 51826 1 358 . 1 . 1 93 93 ASP C C 13 175.8902116 0.002018785945 . . . . . . . 93 ASP C . 51826 1 359 . 1 . 1 93 93 ASP CA C 13 57.1223872 0.006741192498 . . . . . . . 93 ASP CA . 51826 1 360 . 1 . 1 93 93 ASP CB C 13 44.0691058 0.007966091144 . . . . . . . 93 ASP CB . 51826 1 361 . 1 . 1 93 93 ASP N N 15 121.0638166 0 . . . . . . . 93 ASP N . 51826 1 362 . 1 . 1 94 94 GLU H H 1 8.306280808 0.00135881848 . . . . . . . 94 GLU H . 51826 1 363 . 1 . 1 94 94 GLU C C 13 175.4247776 0 . . . . . . . 94 GLU C . 51826 1 364 . 1 . 1 94 94 GLU CA C 13 59.4000422 0.01789605359 . . . . . . . 94 GLU CA . 51826 1 365 . 1 . 1 94 94 GLU CB C 13 32.94830596 0.005429003828 . . . . . . . 94 GLU CB . 51826 1 366 . 1 . 1 94 94 GLU N N 15 121.2720293 2.336015456e-06 . . . . . . . 94 GLU N . 51826 1 367 . 1 . 1 95 95 ILE H H 1 8.126572661 0.003243483793 . . . . . . . 95 ILE H . 51826 1 368 . 1 . 1 95 95 ILE C C 13 176.6686537 0.005311954985 . . . . . . . 95 ILE C . 51826 1 369 . 1 . 1 95 95 ILE CA C 13 64.3534668 0.02587597799 . . . . . . . 95 ILE CA . 51826 1 370 . 1 . 1 95 95 ILE CB C 13 41.24698689 0.03835812007 . . . . . . . 95 ILE CB . 51826 1 371 . 1 . 1 95 95 ILE N N 15 121.6853539 2.697398305e-06 . . . . . . . 95 ILE N . 51826 1 372 . 1 . 1 96 96 GLY H H 1 8.44194134 0.001727427194 . . . . . . . 96 GLY H . 51826 1 373 . 1 . 1 96 96 GLY C C 13 173.5652518 0.004048492038 . . . . . . . 96 GLY C . 51826 1 374 . 1 . 1 96 96 GLY CA C 13 48.11725979 0.06127847073 . . . . . . . 96 GLY CA . 51826 1 375 . 1 . 1 96 96 GLY N N 15 112.1386908 0.0007075877835 . . . . . . . 96 GLY N . 51826 1 376 . 1 . 1 97 97 ALA H H 1 8.048905691 0.002983178744 . . . . . . . 97 ALA H . 51826 1 377 . 1 . 1 97 97 ALA C C 13 177.2734355 0.02126468244 . . . . . . . 97 ALA C . 51826 1 378 . 1 . 1 97 97 ALA CA C 13 55.19882325 0.02164934831 . . . . . . . 97 ALA CA . 51826 1 379 . 1 . 1 97 97 ALA CB C 13 22.16864842 0.0005902300283 . . . . . . . 97 ALA CB . 51826 1 380 . 1 . 1 97 97 ALA N N 15 123.7319362 1.348699152e-06 . . . . . . . 97 ALA N . 51826 1 381 . 1 . 1 98 98 VAL H H 1 7.980818817 0.001890763354 . . . . . . . 98 VAL H . 51826 1 382 . 1 . 1 98 98 VAL C C 13 175.6301637 0.01658476434 . . . . . . . 98 VAL C . 51826 1 383 . 1 . 1 98 98 VAL CA C 13 64.94111958 0.02729317607 . . . . . . . 98 VAL CA . 51826 1 384 . 1 . 1 98 98 VAL CB C 13 35.57550083 0.02111820928 . . . . . . . 98 VAL CB . 51826 1 385 . 1 . 1 98 98 VAL N N 15 118.7936395 2.697398305e-06 . . . . . . . 98 VAL N . 51826 1 386 . 1 . 1 99 99 PHE H H 1 8.236879083 0.002576250193 . . . . . . . 99 PHE H . 51826 1 387 . 1 . 1 99 99 PHE C C 13 175.0684578 0.01117643853 . . . . . . . 99 PHE C . 51826 1 388 . 1 . 1 99 99 PHE CA C 13 60.27077937 0.02681517642 . . . . . . . 99 PHE CA . 51826 1 389 . 1 . 1 99 99 PHE CB C 13 42.46015125 0.02940564189 . . . . . . . 99 PHE CB . 51826 1 390 . 1 . 1 99 99 PHE N N 15 123.4789147 1.348699152e-06 . . . . . . . 99 PHE N . 51826 1 391 . 1 . 1 100 100 ASP H H 1 8.239764815 0.002407198214 . . . . . . . 100 ASP H . 51826 1 392 . 1 . 1 100 100 ASP C C 13 175.7199399 0.002679236948 . . . . . . . 100 ASP C . 51826 1 393 . 1 . 1 100 100 ASP CA C 13 57.11628679 0.008648124331 . . . . . . . 100 ASP CA . 51826 1 394 . 1 . 1 100 100 ASP CB C 13 44.19420511 0.01157431392 . . . . . . . 100 ASP CB . 51826 1 395 . 1 . 1 100 100 ASP N N 15 121.8937915 2.336015456e-06 . . . . . . . 100 ASP N . 51826 1 396 . 1 . 1 101 101 GLN H H 1 8.191129386 0.001929302385 . . . . . . . 101 GLN H . 51826 1 397 . 1 . 1 101 101 GLN C C 13 175.7716852 0.01974824074 . . . . . . . 101 GLN C . 51826 1 398 . 1 . 1 101 101 GLN CA C 13 58.89906439 0.006665460878 . . . . . . . 101 GLN CA . 51826 1 399 . 1 . 1 101 101 GLN CB C 13 32.25427274 0.0006976393253 . . . . . . . 101 GLN CB . 51826 1 400 . 1 . 1 101 101 GLN N N 15 120.4846811 1.348699152e-06 . . . . . . . 101 GLN N . 51826 1 401 . 1 . 1 102 102 VAL H H 1 8.166899354 0.001532378584 . . . . . . . 102 VAL H . 51826 1 402 . 1 . 1 102 102 VAL C C 13 176.2130493 0.03335833419 . . . . . . . 102 VAL C . 51826 1 403 . 1 . 1 102 102 VAL CA C 13 65.58582918 0.01327228567 . . . . . . . 102 VAL CA . 51826 1 404 . 1 . 1 102 102 VAL CB C 13 35.15607312 0.002834674826 . . . . . . . 102 VAL CB . 51826 1 405 . 1 . 1 102 102 VAL N N 15 121.5351601 3.568322551e-06 . . . . . . . 102 VAL N . 51826 1 406 . 1 . 1 103 103 LEU H H 1 8.30439538 0.0007888892593 . . . . . . . 103 LEU H . 51826 1 407 . 1 . 1 103 103 LEU C C 13 177.3324498 0 . . . . . . . 103 LEU C . 51826 1 408 . 1 . 1 103 103 LEU CA C 13 57.90549033 0 . . . . . . . 103 LEU CA . 51826 1 409 . 1 . 1 103 103 LEU CB C 13 45.01687188 0 . . . . . . . 103 LEU CB . 51826 1 410 . 1 . 1 103 103 LEU N N 15 125.4343103 1.907348633e-06 . . . . . . . 103 LEU N . 51826 1 411 . 1 . 1 106 106 GLY C C 13 173.2437083 1.907348633e-06 . . . . . . . 106 GLY C . 51826 1 412 . 1 . 1 106 106 GLY CA C 13 47.78793244 0 . . . . . . . 106 GLY CA . 51826 1 413 . 1 . 1 107 107 THR H H 1 8.085372464 0.002826077312 . . . . . . . 107 THR H . 51826 1 414 . 1 . 1 107 107 THR C C 13 172.102919 0 . . . . . . . 107 THR C . 51826 1 415 . 1 . 1 107 107 THR CA C 13 64.32036365 0 . . . . . . . 107 THR CA . 51826 1 416 . 1 . 1 107 107 THR CB C 13 72.72244298 0 . . . . . . . 107 THR CB . 51826 1 417 . 1 . 1 107 107 THR N N 15 115.8481577 0.01382251968 . . . . . . . 107 THR N . 51826 1 418 . 1 . 1 110 110 ILE H H 1 8.065701163 0 . . . . . . . 110 ILE H . 51826 1 419 . 1 . 1 110 110 ILE N N 15 121.1084324 0 . . . . . . . 110 ILE N . 51826 1 420 . 1 . 1 111 111 PRO C C 13 176.8942362 1.907348633e-06 . . . . . . . 111 PRO C . 51826 1 421 . 1 . 1 111 111 PRO CA C 13 66.21774297 0 . . . . . . . 111 PRO CA . 51826 1 422 . 1 . 1 111 111 PRO CB C 13 34.83095651 0 . . . . . . . 111 PRO CB . 51826 1 423 . 1 . 1 112 112 THR H H 1 8.141691393 0.001747313589 . . . . . . . 112 THR H . 51826 1 424 . 1 . 1 112 112 THR C C 13 174.5852405 0.002613506141 . . . . . . . 112 THR C . 51826 1 425 . 1 . 1 112 112 THR CA C 13 65.03805997 0.004317490076 . . . . . . . 112 THR CA . 51826 1 426 . 1 . 1 112 112 THR CB C 13 72.52866986 0.0228462233 . . . . . . . 112 THR CB . 51826 1 427 . 1 . 1 112 112 THR N N 15 114.4054696 1.348699152e-06 . . . . . . . 112 THR N . 51826 1 428 . 1 . 1 113 113 GLU H H 1 8.43258965 0.002170851265 . . . . . . . 113 GLU H . 51826 1 429 . 1 . 1 113 113 GLU C C 13 176.1551689 0.006982950523 . . . . . . . 113 GLU C . 51826 1 430 . 1 . 1 113 113 GLU CA C 13 59.58237503 0.03608471548 . . . . . . . 113 GLU CA . 51826 1 431 . 1 . 1 113 113 GLU CB C 13 32.90946115 0.03937500761 . . . . . . . 113 GLU CB . 51826 1 432 . 1 . 1 113 113 GLU N N 15 122.876315 1.348699152e-06 . . . . . . . 113 GLU N . 51826 1 433 . 1 . 1 114 114 ALA H H 1 8.285467568 0.002294762032 . . . . . . . 114 ALA H . 51826 1 434 . 1 . 1 114 114 ALA C C 13 177.6988063 0.01678647628 . . . . . . . 114 ALA C . 51826 1 435 . 1 . 1 114 114 ALA CA C 13 55.56598564 0.01137212543 . . . . . . . 114 ALA CA . 51826 1 436 . 1 . 1 114 114 ALA CB C 13 21.74369004 0.02992335721 . . . . . . . 114 ALA CB . 51826 1 437 . 1 . 1 114 114 ALA N N 15 124.996399 0.008420913541 . . . . . . . 114 ALA N . 51826 1 438 . 1 . 1 115 115 ALA H H 1 8.273340257 0.001680880802 . . . . . . . 115 ALA H . 51826 1 439 . 1 . 1 115 115 ALA C C 13 177.8243779 0.02735563488 . . . . . . . 115 ALA C . 51826 1 440 . 1 . 1 115 115 ALA CA C 13 55.81800573 0.04805886038 . . . . . . . 115 ALA CA . 51826 1 441 . 1 . 1 115 115 ALA CB C 13 21.62938397 0.04712769356 . . . . . . . 115 ALA CB . 51826 1 442 . 1 . 1 115 115 ALA N N 15 123.0186981 0.03229059344 . . . . . . . 115 ALA N . 51826 1 443 . 1 . 1 116 116 ASN H H 1 8.310778547 0.005100675408 . . . . . . . 116 ASN H . 51826 1 444 . 1 . 1 116 116 ASN C C 13 175.659677 0.03001182078 . . . . . . . 116 ASN C . 51826 1 445 . 1 . 1 116 116 ASN CA C 13 56.41507826 0.002897827252 . . . . . . . 116 ASN CA . 51826 1 446 . 1 . 1 116 116 ASN CB C 13 41.37607774 0.04903351956 . . . . . . . 116 ASN CB . 51826 1 447 . 1 . 1 116 116 ASN N N 15 117.6440131 0.0302281948 . . . . . . . 116 ASN N . 51826 1 448 . 1 . 1 117 117 GLU H H 1 8.326248586 0.002443192656 . . . . . . . 117 GLU H . 51826 1 449 . 1 . 1 117 117 GLU C C 13 176.5498459 0.002884309731 . . . . . . . 117 GLU C . 51826 1 450 . 1 . 1 117 117 GLU CA C 13 60.37603625 0.02029003644 . . . . . . . 117 GLU CA . 51826 1 451 . 1 . 1 117 117 GLU CB C 13 32.79185088 0.08470491922 . . . . . . . 117 GLU CB . 51826 1 452 . 1 . 1 117 117 GLU N N 15 121.8238525 2.336015456e-06 . . . . . . . 117 GLU N . 51826 1 453 . 1 . 1 118 118 ALA H H 1 8.197668678 0.002375779741 . . . . . . . 118 ALA H . 51826 1 454 . 1 . 1 118 118 ALA C C 13 176.3610187 0 . . . . . . . 118 ALA C . 51826 1 455 . 1 . 1 118 118 ALA CA C 13 56.35522116 0 . . . . . . . 118 ALA CA . 51826 1 456 . 1 . 1 118 118 ALA CB C 13 21.38755169 0 . . . . . . . 118 ALA CB . 51826 1 457 . 1 . 1 118 118 ALA N N 15 123.7467938 3.30362474e-06 . . . . . . . 118 ALA N . 51826 1 458 . 1 . 1 119 119 ALA H H 1 8.025528379 0.001257582426 . . . . . . . 119 ALA H . 51826 1 459 . 1 . 1 119 119 ALA C C 13 178.2912291 1.907348633e-06 . . . . . . . 119 ALA C . 51826 1 460 . 1 . 1 119 119 ALA CA C 13 56.08631939 0.01807120379 . . . . . . . 119 ALA CA . 51826 1 461 . 1 . 1 119 119 ALA CB C 13 21.48345028 0.08782022075 . . . . . . . 119 ALA CB . 51826 1 462 . 1 . 1 119 119 ALA N N 15 122.2981682 2.336015456e-06 . . . . . . . 119 ALA N . 51826 1 463 . 1 . 1 120 120 ALA H H 1 8.036389526 0.0009234101156 . . . . . . . 120 ALA H . 51826 1 464 . 1 . 1 120 120 ALA C C 13 178.1262008 0 . . . . . . . 120 ALA C . 51826 1 465 . 1 . 1 120 120 ALA CA C 13 55.86218221 0 . . . . . . . 120 ALA CA . 51826 1 466 . 1 . 1 120 120 ALA CB C 13 21.53302348 0 . . . . . . . 120 ALA CB . 51826 1 467 . 1 . 1 120 120 ALA N N 15 121.8443083 1.907348633e-06 . . . . . . . 120 ALA N . 51826 1 468 . 1 . 1 121 121 ARG H H 1 8.101634675 0.0009145669802 . . . . . . . 121 ARG H . 51826 1 469 . 1 . 1 121 121 ARG CA C 13 59.68715573 0.01927116992 . . . . . . . 121 ARG CA . 51826 1 470 . 1 . 1 121 121 ARG CB C 13 33.41949942 0.008368472537 . . . . . . . 121 ARG CB . 51826 1 471 . 1 . 1 121 121 ARG N N 15 119.7482099 1.348699152e-06 . . . . . . . 121 ARG N . 51826 1 472 . 1 . 1 122 122 GLU H H 1 8.283164008 0.0001723369741 . . . . . . . 122 GLU H . 51826 1 473 . 1 . 1 122 122 GLU CA C 13 59.88054472 5.966374328e-05 . . . . . . . 122 GLU CA . 51826 1 474 . 1 . 1 122 122 GLU CB C 13 32.79680768 0.002287009289 . . . . . . . 122 GLU CB . 51826 1 475 . 1 . 1 122 122 GLU N N 15 121.2936466 0 . . . . . . . 122 GLU N . 51826 1 476 . 1 . 1 123 123 ALA H H 1 8.215096961 0.001113742969 . . . . . . . 123 ALA H . 51826 1 477 . 1 . 1 123 123 ALA N N 15 124.2757582 1.907348633e-06 . . . . . . . 123 ALA N . 51826 1 478 . 1 . 1 124 124 SER H H 1 8.217554766 0.01857520385 . . . . . . . 124 SER H . 51826 1 479 . 1 . 1 124 124 SER N N 15 114.8609705 0.06829142274 . . . . . . . 124 SER N . 51826 1 480 . 1 . 1 125 125 ALA C C 13 178.0455251 1.907348633e-06 . . . . . . . 125 ALA C . 51826 1 481 . 1 . 1 125 125 ALA CA C 13 55.94292438 0 . . . . . . . 125 ALA CA . 51826 1 482 . 1 . 1 125 125 ALA CB C 13 21.66237079 3.371747881e-07 . . . . . . . 125 ALA CB . 51826 1 483 . 1 . 1 126 126 GLU H H 1 8.303995577 0.001717582444 . . . . . . . 126 GLU H . 51826 1 484 . 1 . 1 126 126 GLU C C 13 176.5374957 0.004210306102 . . . . . . . 126 GLU C . 51826 1 485 . 1 . 1 126 126 GLU CA C 13 60.06656973 0.03132943191 . . . . . . . 126 GLU CA . 51826 1 486 . 1 . 1 126 126 GLU CB C 13 32.77458044 0.03135862708 . . . . . . . 126 GLU CB . 51826 1 487 . 1 . 1 126 126 GLU N N 15 119.105463 1.348699152e-06 . . . . . . . 126 GLU N . 51826 1 488 . 1 . 1 127 127 ASN H H 1 8.275154154 0.00114598191 . . . . . . . 127 ASN H . 51826 1 489 . 1 . 1 127 127 ASN C C 13 175.3992331 0.01512028551 . . . . . . . 127 ASN C . 51826 1 490 . 1 . 1 127 127 ASN CA C 13 56.69812253 0.004277815614 . . . . . . . 127 ASN CA . 51826 1 491 . 1 . 1 127 127 ASN CB C 13 41.42780079 0.004959888099 . . . . . . . 127 ASN CB . 51826 1 492 . 1 . 1 127 127 ASN N N 15 119.0023162 0.006492443284 . . . . . . . 127 ASN N . 51826 1 493 . 1 . 1 128 128 VAL H H 1 7.928703654 0.003002479825 . . . . . . . 128 VAL H . 51826 1 494 . 1 . 1 128 128 VAL C C 13 176.323991 0.03212098694 . . . . . . . 128 VAL C . 51826 1 495 . 1 . 1 128 128 VAL CA C 13 66.07286172 0.02373725526 . . . . . . . 128 VAL CA . 51826 1 496 . 1 . 1 128 128 VAL CB C 13 35.11140022 0.02893741839 . . . . . . . 128 VAL CB . 51826 1 497 . 1 . 1 128 128 VAL N N 15 119.8813016 3.015782986e-06 . . . . . . . 128 VAL N . 51826 1 498 . 1 . 1 129 129 ARG H H 1 8.199202928 0.001304194467 . . . . . . . 129 ARG H . 51826 1 499 . 1 . 1 129 129 ARG C C 13 178.1669147 0 . . . . . . . 129 ARG C . 51826 1 500 . 1 . 1 129 129 ARG CA C 13 59.59411156 0.02534619816 . . . . . . . 129 ARG CA . 51826 1 501 . 1 . 1 129 129 ARG CB C 13 33.2689165 0 . . . . . . . 129 ARG CB . 51826 1 502 . 1 . 1 129 129 ARG N N 15 123.5001394 0.0003986883357 . . . . . . . 129 ARG N . 51826 1 503 . 1 . 1 131 131 LEU H H 1 8.164306517 0.002367503363 . . . . . . . 131 LEU H . 51826 1 504 . 1 . 1 131 131 LEU C C 13 177.1573331 0.02729387283 . . . . . . . 131 LEU C . 51826 1 505 . 1 . 1 131 131 LEU CA C 13 58.35096456 0.01118255078 . . . . . . . 131 LEU CA . 51826 1 506 . 1 . 1 131 131 LEU CB C 13 44.99682013 0.009475753119 . . . . . . . 131 LEU CB . 51826 1 507 . 1 . 1 131 131 LEU N N 15 123.1540368 1.907348633e-06 . . . . . . . 131 LEU N . 51826 1 508 . 1 . 1 132 132 ALA H H 1 8.177296138 0.002672327018 . . . . . . . 132 ALA H . 51826 1 509 . 1 . 1 132 132 ALA C C 13 177.8038355 0.01998915008 . . . . . . . 132 ALA C . 51826 1 510 . 1 . 1 132 132 ALA CA C 13 55.57613787 0.09608528209 . . . . . . . 132 ALA CA . 51826 1 511 . 1 . 1 132 132 ALA CB C 13 21.7978712 0.09734201978 . . . . . . . 132 ALA CB . 51826 1 512 . 1 . 1 132 132 ALA N N 15 124.0152944 1.348699152e-06 . . . . . . . 132 ALA N . 51826 1 513 . 1 . 1 133 133 GLU H H 1 8.233292837 0.004548465142 . . . . . . . 133 GLU H . 51826 1 514 . 1 . 1 133 133 GLU C C 13 176.1372609 0.04242305084 . . . . . . . 133 GLU C . 51826 1 515 . 1 . 1 133 133 GLU CA C 13 59.34360514 0 . . . . . . . 133 GLU CA . 51826 1 516 . 1 . 1 133 133 GLU CB C 13 33.04613935 0 . . . . . . . 133 GLU CB . 51826 1 517 . 1 . 1 133 133 GLU N N 15 119.7539366 2.697398305e-06 . . . . . . . 133 GLU N . 51826 1 518 . 1 . 1 134 134 ALA H H 1 8.172312022 0.003114531888 . . . . . . . 134 ALA H . 51826 1 519 . 1 . 1 134 134 ALA C C 13 177.1205074 0.01192808318 . . . . . . . 134 ALA C . 51826 1 520 . 1 . 1 134 134 ALA CA C 13 54.93504625 0.006521246837 . . . . . . . 134 ALA CA . 51826 1 521 . 1 . 1 134 134 ALA CB C 13 22.21576865 0.03666892303 . . . . . . . 134 ALA CB . 51826 1 522 . 1 . 1 134 134 ALA N N 15 124.8622471 1.348699152e-06 . . . . . . . 134 ALA N . 51826 1 523 . 1 . 1 135 135 GLU H H 1 8.360485893 0.003167930678 . . . . . . . 135 GLU H . 51826 1 524 . 1 . 1 135 135 GLU C C 13 174.4360672 0 . . . . . . . 135 GLU C . 51826 1 525 . 1 . 1 135 135 GLU CA C 13 57.13750752 0 . . . . . . . 135 GLU CA . 51826 1 526 . 1 . 1 135 135 GLU CB C 13 32.56192835 0 . . . . . . . 135 GLU CB . 51826 1 527 . 1 . 1 135 135 GLU N N 15 121.5897496 1.348699152e-06 . . . . . . . 135 GLU N . 51826 1 528 . 1 . 1 138 138 PRO C C 13 176.5427987 2.697398305e-06 . . . . . . . 138 PRO C . 51826 1 529 . 1 . 1 138 138 PRO CA C 13 66.13222736 0 . . . . . . . 138 PRO CA . 51826 1 530 . 1 . 1 138 138 PRO CB C 13 34.79654681 0 . . . . . . . 138 PRO CB . 51826 1 531 . 1 . 1 139 139 ASP H H 1 8.443318491 0.003553354186 . . . . . . . 139 ASP H . 51826 1 532 . 1 . 1 139 139 ASP C C 13 176.2703999 0.0390688505 . . . . . . . 139 ASP C . 51826 1 533 . 1 . 1 139 139 ASP CA C 13 57.27819592 0.0369905423 . . . . . . . 139 ASP CA . 51826 1 534 . 1 . 1 139 139 ASP CB C 13 43.78671991 0.007553974647 . . . . . . . 139 ASP CB . 51826 1 535 . 1 . 1 139 139 ASP N N 15 120.1241967 0 . . . . . . . 139 ASP N . 51826 1 536 . 1 . 1 140 140 LYS H H 1 8.200519992 0.002416497083 . . . . . . . 140 LYS H . 51826 1 537 . 1 . 1 140 140 LYS C C 13 176.7442125 0.001893619719 . . . . . . . 140 LYS C . 51826 1 538 . 1 . 1 140 140 LYS CA C 13 59.35844221 0.02809646328 . . . . . . . 140 LYS CA . 51826 1 539 . 1 . 1 140 140 LYS CB C 13 35.71070541 0.009672547209 . . . . . . . 140 LYS CB . 51826 1 540 . 1 . 1 140 140 LYS N N 15 121.845692 1.907348633e-06 . . . . . . . 140 LYS N . 51826 1 541 . 1 . 1 141 141 GLU H H 1 8.412966303 0.002484781354 . . . . . . . 141 GLU H . 51826 1 542 . 1 . 1 141 141 GLU C C 13 177.126752 0.007130771009 . . . . . . . 141 GLU C . 51826 1 543 . 1 . 1 141 141 GLU CA C 13 59.75340127 0.0007932673053 . . . . . . . 141 GLU CA . 51826 1 544 . 1 . 1 141 141 GLU CB C 13 32.68539801 0.02733987553 . . . . . . . 141 GLU CB . 51826 1 545 . 1 . 1 141 141 GLU N N 15 121.7240942 2.697398305e-06 . . . . . . . 141 GLU N . 51826 1 546 . 1 . 1 142 142 GLU H H 1 8.427968662 0.001746732387 . . . . . . . 142 GLU H . 51826 1 547 . 1 . 1 142 142 GLU C C 13 176.4631681 0 . . . . . . . 142 GLU C . 51826 1 548 . 1 . 1 142 142 GLU CA C 13 60.16838187 6.743495762e-07 . . . . . . . 142 GLU CA . 51826 1 549 . 1 . 1 142 142 GLU CB C 13 33.15249581 0 . . . . . . . 142 GLU CB . 51826 1 550 . 1 . 1 142 142 GLU N N 15 122.3028549 2.336015456e-06 . . . . . . . 142 GLU N . 51826 1 551 . 1 . 1 143 143 ALA H H 1 8.242528112 0.002199431105 . . . . . . . 143 ALA H . 51826 1 552 . 1 . 1 143 143 ALA CA C 13 55.78320534 0 . . . . . . . 143 ALA CA . 51826 1 553 . 1 . 1 143 143 ALA CB C 13 21.61713873 0 . . . . . . . 143 ALA CB . 51826 1 554 . 1 . 1 143 143 ALA N N 15 124.5001349 0.01416888481 . . . . . . . 143 ALA N . 51826 1 555 . 1 . 1 144 144 LYS H H 1 8.112120006 0.0028874856 . . . . . . . 144 LYS H . 51826 1 556 . 1 . 1 144 144 LYS C C 13 176.7604714 1.907348633e-06 . . . . . . . 144 LYS C . 51826 1 557 . 1 . 1 144 144 LYS CA C 13 59.51221442 0.07917371271 . . . . . . . 144 LYS CA . 51826 1 558 . 1 . 1 144 144 LYS CB C 13 35.59207577 0.00280338178 . . . . . . . 144 LYS CB . 51826 1 559 . 1 . 1 144 144 LYS N N 15 120.1567733 2.336015456e-06 . . . . . . . 144 LYS N . 51826 1 560 . 1 . 1 145 145 ALA H H 1 8.184477232 0 . . . . . . . 145 ALA H . 51826 1 561 . 1 . 1 145 145 ALA N N 15 124.5149515 0 . . . . . . . 145 ALA N . 51826 1 562 . 1 . 1 146 146 ASN H H 1 8.312695314 0 . . . . . . . 146 ASN H . 51826 1 563 . 1 . 1 146 146 ASN N N 15 117.5742108 0 . . . . . . . 146 ASN N . 51826 1 564 . 1 . 1 147 147 ALA H H 1 8.239083613 0.002385352404 . . . . . . . 147 ALA H . 51826 1 565 . 1 . 1 147 147 ALA C C 13 177.6171888 2.697398305e-06 . . . . . . . 147 ALA C . 51826 1 566 . 1 . 1 147 147 ALA CA C 13 56.13962268 0 . . . . . . . 147 ALA CA . 51826 1 567 . 1 . 1 147 147 ALA CB C 13 21.78369792 2.384185791e-07 . . . . . . . 147 ALA CB . 51826 1 568 . 1 . 1 147 147 ALA N N 15 124.1435848 0.008319078227 . . . . . . . 147 ALA N . 51826 1 569 . 1 . 1 148 148 ALA H H 1 8.075199134 0.001598860327 . . . . . . . 148 ALA H . 51826 1 570 . 1 . 1 148 148 ALA C C 13 177.112711 0.01498598638 . . . . . . . 148 ALA C . 51826 1 571 . 1 . 1 148 148 ALA CA C 13 55.31124774 0 . . . . . . . 148 ALA CA . 51826 1 572 . 1 . 1 148 148 ALA CB C 13 21.46907475 0 . . . . . . . 148 ALA CB . 51826 1 573 . 1 . 1 148 148 ALA N N 15 121.3072008 1.907348633e-06 . . . . . . . 148 ALA N . 51826 1 574 . 1 . 1 149 149 ALA H H 1 7.846603749 0.0008975395897 . . . . . . . 149 ALA H . 51826 1 575 . 1 . 1 149 149 ALA C C 13 177.1037535 0.1162121703 . . . . . . . 149 ALA C . 51826 1 576 . 1 . 1 149 149 ALA CA C 13 54.86717373 0.07435586951 . . . . . . . 149 ALA CA . 51826 1 577 . 1 . 1 149 149 ALA CB C 13 21.81672651 0.03807614081 . . . . . . . 149 ALA CB . 51826 1 578 . 1 . 1 149 149 ALA N N 15 122.0562375 2.336015456e-06 . . . . . . . 149 ALA N . 51826 1 579 . 1 . 1 150 150 HIS H H 1 7.81061356 0.01340833764 . . . . . . . 150 HIS H . 51826 1 580 . 1 . 1 150 150 HIS C C 13 174.3923417 0.01166776123 . . . . . . . 150 HIS C . 51826 1 581 . 1 . 1 150 150 HIS CA C 13 58.01188243 0.006992658785 . . . . . . . 150 HIS CA . 51826 1 582 . 1 . 1 150 150 HIS CB C 13 34.35773599 0.01927089079 . . . . . . . 150 HIS CB . 51826 1 583 . 1 . 1 150 150 HIS N N 15 118.5523229 0.006740395199 . . . . . . . 150 HIS N . 51826 1 584 . 1 . 1 151 151 GLU H H 1 7.941818549 0.001832692852 . . . . . . . 151 GLU H . 51826 1 585 . 1 . 1 151 151 GLU C C 13 174.5585471 0.02529142158 . . . . . . . 151 GLU C . 51826 1 586 . 1 . 1 151 151 GLU CA C 13 58.16395115 0 . . . . . . . 151 GLU CA . 51826 1 587 . 1 . 1 151 151 GLU CB C 13 33.9571054 0 . . . . . . . 151 GLU CB . 51826 1 588 . 1 . 1 151 151 GLU N N 15 120.5901824 0.0008189036484 . . . . . . . 151 GLU N . 51826 1 589 . 1 . 1 152 152 TRP H H 1 8.956732518 0.002985719126 . . . . . . . 152 TRP H . 51826 1 590 . 1 . 1 152 152 TRP HE1 H 1 10.08480937 0 . . . . . . . 152 TRP HE1 . 51826 1 591 . 1 . 1 152 152 TRP C C 13 175.5304615 0.01238810001 . . . . . . . 152 TRP C . 51826 1 592 . 1 . 1 152 152 TRP CA C 13 60.27574857 0.0003881272867 . . . . . . . 152 TRP CA . 51826 1 593 . 1 . 1 152 152 TRP CB C 13 34.44983571 0.07413383192 . . . . . . . 152 TRP CB . 51826 1 594 . 1 . 1 152 152 TRP N N 15 121.8675468 2.697398305e-06 . . . . . . . 152 TRP N . 51826 1 595 . 1 . 1 152 152 TRP NE1 N 15 127.8448273 0 . . . . . . . 152 TRP NE1 . 51826 1 596 . 1 . 1 153 153 TYR H H 1 9.524679818 0.002401689599 . . . . . . . 153 TYR H . 51826 1 597 . 1 . 1 153 153 TYR C C 13 175.2858758 0.01246540574 . . . . . . . 153 TYR C . 51826 1 598 . 1 . 1 153 153 TYR CA C 13 59.18068953 0.0155509535 . . . . . . . 153 TYR CA . 51826 1 599 . 1 . 1 153 153 TYR CB C 13 44.89807632 0.06113955002 . . . . . . . 153 TYR CB . 51826 1 600 . 1 . 1 153 153 TYR N N 15 120.2555683 0.03319714981 . . . . . . . 153 TYR N . 51826 1 601 . 1 . 1 154 154 VAL H H 1 9.223086163 0.002658130209 . . . . . . . 154 VAL H . 51826 1 602 . 1 . 1 154 154 VAL C C 13 173.8524212 0.004257282475 . . . . . . . 154 VAL C . 51826 1 603 . 1 . 1 154 154 VAL CA C 13 62.42187541 0 . . . . . . . 154 VAL CA . 51826 1 604 . 1 . 1 154 154 VAL CB C 13 39.08857724 0.04895229297 . . . . . . . 154 VAL CB . 51826 1 605 . 1 . 1 154 154 VAL N N 15 114.891845 2.336015456e-06 . . . . . . . 154 VAL N . 51826 1 606 . 1 . 1 155 155 ALA H H 1 8.920058501 0.001993282197 . . . . . . . 155 ALA H . 51826 1 607 . 1 . 1 155 155 ALA C C 13 176.8735303 0.02980283447 . . . . . . . 155 ALA C . 51826 1 608 . 1 . 1 155 155 ALA CA C 13 53.50583323 7.625519245e-05 . . . . . . . 155 ALA CA . 51826 1 609 . 1 . 1 155 155 ALA CB C 13 21.99565119 0.03787647514 . . . . . . . 155 ALA CB . 51826 1 610 . 1 . 1 155 155 ALA N N 15 127.1747388 0.00270447845 . . . . . . . 155 ALA N . 51826 1 611 . 1 . 1 156 156 ILE H H 1 8.621861851 0.001552126397 . . . . . . . 156 ILE H . 51826 1 612 . 1 . 1 156 156 ILE C C 13 175.8913617 0 . . . . . . . 156 ILE C . 51826 1 613 . 1 . 1 156 156 ILE CA C 13 64.11664549 0 . . . . . . . 156 ILE CA . 51826 1 614 . 1 . 1 156 156 ILE CB C 13 43.06439979 0 . . . . . . . 156 ILE CB . 51826 1 615 . 1 . 1 156 156 ILE N N 15 124.6599201 1.348699152e-06 . . . . . . . 156 ILE N . 51826 1 616 . 1 . 1 157 157 ASP H H 1 9.233861748 0 . . . . . . . 157 ASP H . 51826 1 617 . 1 . 1 157 157 ASP C C 13 174.8954078 2.697398305e-06 . . . . . . . 157 ASP C . 51826 1 618 . 1 . 1 157 157 ASP CA C 13 59.79598949 0 . . . . . . . 157 ASP CA . 51826 1 619 . 1 . 1 157 157 ASP N N 15 128.5458177 0 . . . . . . . 157 ASP N . 51826 1 620 . 1 . 1 158 158 GLU H H 1 8.684041022 0.003702599443 . . . . . . . 158 GLU H . 51826 1 621 . 1 . 1 158 158 GLU C C 13 175.1337005 0.00434074375 . . . . . . . 158 GLU C . 51826 1 622 . 1 . 1 158 158 GLU CA C 13 60.39243673 6.255841831e-05 . . . . . . . 158 GLU CA . 51826 1 623 . 1 . 1 158 158 GLU CB C 13 30.73065607 0 . . . . . . . 158 GLU CB . 51826 1 624 . 1 . 1 158 158 GLU N N 15 112.1073924 0.08717394041 . . . . . . . 158 GLU N . 51826 1 625 . 1 . 1 159 159 LYS H H 1 7.969439554 0.004163913292 . . . . . . . 159 LYS H . 51826 1 626 . 1 . 1 159 159 LYS C C 13 174.9471514 0.0752537318 . . . . . . . 159 LYS C . 51826 1 627 . 1 . 1 159 159 LYS CA C 13 57.73279798 0.006028829244 . . . . . . . 159 LYS CA . 51826 1 628 . 1 . 1 159 159 LYS CB C 13 37.22769503 0.00655650066 . . . . . . . 159 LYS CB . 51826 1 629 . 1 . 1 159 159 LYS N N 15 120.5880637 3.30362474e-06 . . . . . . . 159 LYS N . 51826 1 630 . 1 . 1 160 160 GLN H H 1 8.394464058 0.000799588523 . . . . . . . 160 GLN H . 51826 1 631 . 1 . 1 160 160 GLN C C 13 175.3831449 0.01233206845 . . . . . . . 160 GLN C . 51826 1 632 . 1 . 1 160 160 GLN CA C 13 58.69504927 0.0007423363756 . . . . . . . 160 GLN CA . 51826 1 633 . 1 . 1 160 160 GLN CB C 13 31.45096823 0.05392336647 . . . . . . . 160 GLN CB . 51826 1 634 . 1 . 1 160 160 GLN N N 15 121.6582157 1.907348633e-06 . . . . . . . 160 GLN N . 51826 1 635 . 1 . 1 161 161 VAL H H 1 9.387920747 0.002340886399 . . . . . . . 161 VAL H . 51826 1 636 . 1 . 1 161 161 VAL C C 13 173.1593662 0.006137380825 . . . . . . . 161 VAL C . 51826 1 637 . 1 . 1 161 161 VAL CA C 13 63.82966042 0.04137046807 . . . . . . . 161 VAL CA . 51826 1 638 . 1 . 1 161 161 VAL CB C 13 37.33407705 0.07471806727 . . . . . . . 161 VAL CB . 51826 1 639 . 1 . 1 161 161 VAL N N 15 123.4155815 0.004966213379 . . . . . . . 161 VAL N . 51826 1 640 . 1 . 1 162 162 GLY H H 1 7.725678776 0.002433170863 . . . . . . . 162 GLY H . 51826 1 641 . 1 . 1 162 162 GLY C C 13 170.8376989 0 . . . . . . . 162 GLY C . 51826 1 642 . 1 . 1 162 162 GLY CA C 13 45.88776621 0 . . . . . . . 162 GLY CA . 51826 1 643 . 1 . 1 162 162 GLY N N 15 109.0413223 0.00472360386 . . . . . . . 162 GLY N . 51826 1 644 . 1 . 1 163 163 PRO C C 13 175.5133539 1.907348633e-06 . . . . . . . 163 PRO C . 51826 1 645 . 1 . 1 163 163 PRO CA C 13 63.673405 0 . . . . . . . 163 PRO CA . 51826 1 646 . 1 . 1 163 163 PRO CB C 13 37.54904077 4.768371582e-07 . . . . . . . 163 PRO CB . 51826 1 647 . 1 . 1 164 164 PHE H H 1 9.906478176 0.00368030112 . . . . . . . 164 PHE H . 51826 1 648 . 1 . 1 164 164 PHE C C 13 175.6799054 0.009713362569 . . . . . . . 164 PHE C . 51826 1 649 . 1 . 1 164 164 PHE CA C 13 57.21362094 0.004016962259 . . . . . . . 164 PHE CA . 51826 1 650 . 1 . 1 164 164 PHE CB C 13 46.31042697 0.006108767738 . . . . . . . 164 PHE CB . 51826 1 651 . 1 . 1 164 164 PHE N N 15 121.2611316 0.003069157766 . . . . . . . 164 PHE N . 51826 1 652 . 1 . 1 165 165 ASN H H 1 8.225682916 0.001852032603 . . . . . . . 165 ASN H . 51826 1 653 . 1 . 1 165 165 ASN C C 13 176.2894268 0.01341344496 . . . . . . . 165 ASN C . 51826 1 654 . 1 . 1 165 165 ASN CA C 13 54.13930556 0.04083655833 . . . . . . . 165 ASN CA . 51826 1 655 . 1 . 1 165 165 ASN CB C 13 41.85162203 0.01818440566 . . . . . . . 165 ASN CB . 51826 1 656 . 1 . 1 165 165 ASN N N 15 118.0766786 0.01318927249 . . . . . . . 165 ASN N . 51826 1 657 . 1 . 1 166 166 VAL H H 1 8.860140857 0.001532801306 . . . . . . . 166 VAL H . 51826 1 658 . 1 . 1 166 166 VAL C C 13 176.1473796 0.007534695849 . . . . . . . 166 VAL C . 51826 1 659 . 1 . 1 166 166 VAL CA C 13 69.35264638 0.001556010759 . . . . . . . 166 VAL CA . 51826 1 660 . 1 . 1 166 166 VAL CB C 13 34.25690031 0.01626444284 . . . . . . . 166 VAL CB . 51826 1 661 . 1 . 1 166 166 VAL N N 15 119.248073 3.30362474e-06 . . . . . . . 166 VAL N . 51826 1 662 . 1 . 1 167 167 GLU H H 1 8.299800914 0.003865793722 . . . . . . . 167 GLU H . 51826 1 663 . 1 . 1 167 167 GLU C C 13 178.8045968 0.0216179478 . . . . . . . 167 GLU C . 51826 1 664 . 1 . 1 167 167 GLU CA C 13 62.74265122 0.00488633768 . . . . . . . 167 GLU CA . 51826 1 665 . 1 . 1 167 167 GLU CB C 13 31.43030243 0.03230124228 . . . . . . . 167 GLU CB . 51826 1 666 . 1 . 1 167 167 GLU N N 15 119.7250379 0.006856422778 . . . . . . . 167 GLU N . 51826 1 667 . 1 . 1 168 168 LYS H H 1 7.889524099 0.00211321975 . . . . . . . 168 LYS H . 51826 1 668 . 1 . 1 168 168 LYS C C 13 178.3271781 0.01062812551 . . . . . . . 168 LYS C . 51826 1 669 . 1 . 1 168 168 LYS CA C 13 60.39068308 0.01617934378 . . . . . . . 168 LYS CA . 51826 1 670 . 1 . 1 168 168 LYS CB C 13 34.66253009 0.01924353077 . . . . . . . 168 LYS CB . 51826 1 671 . 1 . 1 168 168 LYS N N 15 120.1838215 1.348699152e-06 . . . . . . . 168 LYS N . 51826 1 672 . 1 . 1 169 169 VAL H H 1 7.810012207 0.002799044881 . . . . . . . 169 VAL H . 51826 1 673 . 1 . 1 169 169 VAL C C 13 176.91566 0.003431427272 . . . . . . . 169 VAL C . 51826 1 674 . 1 . 1 169 169 VAL CA C 13 70.37675247 0.02752841004 . . . . . . . 169 VAL CA . 51826 1 675 . 1 . 1 169 169 VAL CB C 13 33.42224196 0.02264843538 . . . . . . . 169 VAL CB . 51826 1 676 . 1 . 1 169 169 VAL N N 15 120.6389402 0.008062022436 . . . . . . . 169 VAL N . 51826 1 677 . 1 . 1 170 170 LYS H H 1 8.230089565 0.002804715144 . . . . . . . 170 LYS H . 51826 1 678 . 1 . 1 170 170 LYS C C 13 177.2474407 0.0037455845 . . . . . . . 170 LYS C . 51826 1 679 . 1 . 1 170 170 LYS CA C 13 62.51152376 0.01549586779 . . . . . . . 170 LYS CA . 51826 1 680 . 1 . 1 170 170 LYS CB C 13 34.79262281 0.005573376329 . . . . . . . 170 LYS CB . 51826 1 681 . 1 . 1 170 170 LYS N N 15 118.73374 2.336015456e-06 . . . . . . . 170 LYS N . 51826 1 682 . 1 . 1 171 171 ASP H H 1 7.615811634 0.001839790114 . . . . . . . 171 ASP H . 51826 1 683 . 1 . 1 171 171 ASP C C 13 177.6499929 0.0163865888 . . . . . . . 171 ASP C . 51826 1 684 . 1 . 1 171 171 ASP CA C 13 60.71009501 0.01196605535 . . . . . . . 171 ASP CA . 51826 1 685 . 1 . 1 171 171 ASP CB C 13 44.55897632 0.01536039528 . . . . . . . 171 ASP CB . 51826 1 686 . 1 . 1 171 171 ASP N N 15 119.010372 0.01466816428 . . . . . . . 171 ASP N . 51826 1 687 . 1 . 1 172 172 LEU H H 1 8.015789468 0.001817374993 . . . . . . . 172 LEU H . 51826 1 688 . 1 . 1 172 172 LEU C C 13 179.1192345 0.003904921708 . . . . . . . 172 LEU C . 51826 1 689 . 1 . 1 172 172 LEU CA C 13 61.05772547 0.0156405751 . . . . . . . 172 LEU CA . 51826 1 690 . 1 . 1 172 172 LEU CB C 13 45.35251189 0.06223371627 . . . . . . . 172 LEU CB . 51826 1 691 . 1 . 1 172 172 LEU N N 15 118.3168741 0 . . . . . . . 172 LEU N . 51826 1 692 . 1 . 1 173 173 TRP H H 1 8.551055205 0.002150165762 . . . . . . . 173 TRP H . 51826 1 693 . 1 . 1 173 173 TRP HE1 H 1 10.58222304 0 . . . . . . . 173 TRP HE1 . 51826 1 694 . 1 . 1 173 173 TRP C C 13 180.0163674 0.0242916085 . . . . . . . 173 TRP C . 51826 1 695 . 1 . 1 173 173 TRP CA C 13 63.15054028 0.005081300754 . . . . . . . 173 TRP CA . 51826 1 696 . 1 . 1 173 173 TRP CB C 13 31.78016948 3.371747881e-07 . . . . . . . 173 TRP CB . 51826 1 697 . 1 . 1 173 173 TRP N N 15 122.3366535 3.015782986e-06 . . . . . . . 173 TRP N . 51826 1 698 . 1 . 1 173 173 TRP NE1 N 15 131.744427 0 . . . . . . . 173 TRP NE1 . 51826 1 699 . 1 . 1 174 174 ASP H H 1 9.476134175 0.002274906192 . . . . . . . 174 ASP H . 51826 1 700 . 1 . 1 174 174 ASP C C 13 178.6297043 0.01695717283 . . . . . . . 174 ASP C . 51826 1 701 . 1 . 1 174 174 ASP CA C 13 60.41990816 0.0004956992322 . . . . . . . 174 ASP CA . 51826 1 702 . 1 . 1 174 174 ASP CB C 13 42.72139964 0.003922248269 . . . . . . . 174 ASP CB . 51826 1 703 . 1 . 1 174 174 ASP N N 15 123.7026 0.00565013023 . . . . . . . 174 ASP N . 51826 1 704 . 1 . 1 175 175 ARG H H 1 7.950729363 0.002210940997 . . . . . . . 175 ARG H . 51826 1 705 . 1 . 1 175 175 ARG C C 13 176.7047278 0 . . . . . . . 175 ARG C . 51826 1 706 . 1 . 1 175 175 ARG CA C 13 59.4955238 0.01813648226 . . . . . . . 175 ARG CA . 51826 1 707 . 1 . 1 175 175 ARG CB C 13 34.10081958 0.02030610364 . . . . . . . 175 ARG CB . 51826 1 708 . 1 . 1 175 175 ARG N N 15 116.0589775 0 . . . . . . . 175 ARG N . 51826 1 709 . 1 . 1 176 176 GLY H H 1 7.999865584 0.003638425675 . . . . . . . 176 GLY H . 51826 1 710 . 1 . 1 176 176 GLY C C 13 174.6533872 0.005217378129 . . . . . . . 176 GLY C . 51826 1 711 . 1 . 1 176 176 GLY CA C 13 48.4778861 0.02364669426 . . . . . . . 176 GLY CA . 51826 1 712 . 1 . 1 176 176 GLY N N 15 108.4726582 1.348699152e-06 . . . . . . . 176 GLY N . 51826 1 713 . 1 . 1 177 177 GLU H H 1 8.377181675 0.003452760486 . . . . . . . 177 GLU H . 51826 1 714 . 1 . 1 177 177 GLU C C 13 176.4722917 1.907348633e-06 . . . . . . . 177 GLU C . 51826 1 715 . 1 . 1 177 177 GLU CA C 13 60.93781501 0.002409638536 . . . . . . . 177 GLU CA . 51826 1 716 . 1 . 1 177 177 GLU CB C 13 33.88283748 0.007507507483 . . . . . . . 177 GLU CB . 51826 1 717 . 1 . 1 177 177 GLU N N 15 119.300944 0.0007146502157 . . . . . . . 177 GLU N . 51826 1 718 . 1 . 1 178 178 VAL H H 1 7.037671616 0.00257902821 . . . . . . . 178 VAL H . 51826 1 719 . 1 . 1 178 178 VAL C C 13 173.3915914 0.01043568081 . . . . . . . 178 VAL C . 51826 1 720 . 1 . 1 178 178 VAL CA C 13 61.33860939 6.743495762e-07 . . . . . . . 178 VAL CA . 51826 1 721 . 1 . 1 178 178 VAL CB C 13 37.6588043 0 . . . . . . . 178 VAL CB . 51826 1 722 . 1 . 1 178 178 VAL N N 15 106.9895141 0.0137292408 . . . . . . . 178 VAL N . 51826 1 723 . 1 . 1 179 179 GLY H H 1 8.621314151 0.003549328629 . . . . . . . 179 GLY H . 51826 1 724 . 1 . 1 179 179 GLY C C 13 172.233101 0 . . . . . . . 179 GLY C . 51826 1 725 . 1 . 1 179 179 GLY CA C 13 47.87431209 0 . . . . . . . 179 GLY CA . 51826 1 726 . 1 . 1 179 179 GLY N N 15 107.937826 1.348699152e-06 . . . . . . . 179 GLY N . 51826 1 727 . 1 . 1 180 180 PRO C C 13 175.956895 2.697398305e-06 . . . . . . . 180 PRO C . 51826 1 728 . 1 . 1 180 180 PRO CA C 13 68.52768016 0 . . . . . . . 180 PRO CA . 51826 1 729 . 1 . 1 180 180 PRO CB C 13 35.33155818 0 . . . . . . . 180 PRO CB . 51826 1 730 . 1 . 1 181 181 ASP H H 1 8.411179532 0.001470858717 . . . . . . . 181 ASP H . 51826 1 731 . 1 . 1 181 181 ASP C C 13 176.9985498 0.005177201248 . . . . . . . 181 ASP C . 51826 1 732 . 1 . 1 181 181 ASP CA C 13 56.57518932 0.06023993869 . . . . . . . 181 ASP CA . 51826 1 733 . 1 . 1 181 181 ASP CB C 13 43.76260073 0.05530258072 . . . . . . . 181 ASP CB . 51826 1 734 . 1 . 1 181 181 ASP N N 15 111.8107327 1.907348633e-06 . . . . . . . 181 ASP N . 51826 1 735 . 1 . 1 182 182 SER H H 1 8.287152884 0.001932052634 . . . . . . . 182 SER H . 51826 1 736 . 1 . 1 182 182 SER C C 13 172.6512856 0.004280805953 . . . . . . . 182 SER C . 51826 1 737 . 1 . 1 182 182 SER CA C 13 63.21682892 0.03056579412 . . . . . . . 182 SER CA . 51826 1 738 . 1 . 1 182 182 SER CB C 13 65.5224402 0.01201472287 . . . . . . . 182 SER CB . 51826 1 739 . 1 . 1 182 182 SER N N 15 119.4184032 1.907348633e-06 . . . . . . . 182 SER N . 51826 1 740 . 1 . 1 183 183 LEU H H 1 8.837266356 0.002912588858 . . . . . . . 183 LEU H . 51826 1 741 . 1 . 1 183 183 LEU C C 13 175.6028105 0.04024216791 . . . . . . . 183 LEU C . 51826 1 742 . 1 . 1 183 183 LEU CA C 13 57.57718484 0.03191489362 . . . . . . . 183 LEU CA . 51826 1 743 . 1 . 1 183 183 LEU CB C 13 46.86542165 0.01063829787 . . . . . . . 183 LEU CB . 51826 1 744 . 1 . 1 183 183 LEU N N 15 124.2584299 3.568322551e-06 . . . . . . . 183 LEU N . 51826 1 745 . 1 . 1 184 184 CYS H H 1 9.754693093 0.002567958576 . . . . . . . 184 CYS H . 51826 1 746 . 1 . 1 184 184 CYS C C 13 171.9498703 0.01006929845 . . . . . . . 184 CYS C . 51826 1 747 . 1 . 1 184 184 CYS CA C 13 59.19297662 6.743495762e-07 . . . . . . . 184 CYS CA . 51826 1 748 . 1 . 1 184 184 CYS CB C 13 36.38838826 4.768371582e-07 . . . . . . . 184 CYS CB . 51826 1 749 . 1 . 1 184 184 CYS N N 15 117.9619341 0.04984002729 . . . . . . . 184 CYS N . 51826 1 750 . 1 . 1 185 185 TRP H H 1 8.595673602 0.002414933782 . . . . . . . 185 TRP H . 51826 1 751 . 1 . 1 185 185 TRP HE1 H 1 9.286120231 0 . . . . . . . 185 TRP HE1 . 51826 1 752 . 1 . 1 185 185 TRP C C 13 172.6099612 0 . . . . . . . 185 TRP C . 51826 1 753 . 1 . 1 185 185 TRP CA C 13 61.51106679 0 . . . . . . . 185 TRP CA . 51826 1 754 . 1 . 1 185 185 TRP CB C 13 32.79585024 0 . . . . . . . 185 TRP CB . 51826 1 755 . 1 . 1 185 185 TRP N N 15 118.1163014 1.907348633e-06 . . . . . . . 185 TRP N . 51826 1 756 . 1 . 1 185 185 TRP NE1 N 15 127.2476321 0 . . . . . . . 185 TRP NE1 . 51826 1 757 . 1 . 1 186 186 ARG C C 13 172.1015235 1.907348633e-06 . . . . . . . 186 ARG C . 51826 1 758 . 1 . 1 186 186 ARG CA C 13 56.29053271 0 . . . . . . . 186 ARG CA . 51826 1 759 . 1 . 1 186 186 ARG CB C 13 34.83660122 4.768371582e-07 . . . . . . . 186 ARG CB . 51826 1 760 . 1 . 1 187 187 SER H H 1 8.049872702 0.002660719062 . . . . . . . 187 SER H . 51826 1 761 . 1 . 1 187 187 SER C C 13 174.9797439 0.01977263335 . . . . . . . 187 SER C . 51826 1 762 . 1 . 1 187 187 SER CA C 13 62.81507897 0.04972548665 . . . . . . . 187 SER CA . 51826 1 763 . 1 . 1 187 187 SER CB C 13 65.00315072 0.005980628126 . . . . . . . 187 SER CB . 51826 1 764 . 1 . 1 187 187 SER N N 15 113.4153194 0 . . . . . . . 187 SER N . 51826 1 765 . 1 . 1 188 188 GLY H H 1 8.623325656 0.002814371184 . . . . . . . 188 GLY H . 51826 1 766 . 1 . 1 188 188 GLY C C 13 175.2302849 0.03179916985 . . . . . . . 188 GLY C . 51826 1 767 . 1 . 1 188 188 GLY CA C 13 47.31935126 0.01066371949 . . . . . . . 188 GLY CA . 51826 1 768 . 1 . 1 188 188 GLY N N 15 116.4078401 0 . . . . . . . 188 GLY N . 51826 1 769 . 1 . 1 189 189 PHE H H 1 7.944038322 0.0007519867593 . . . . . . . 189 PHE H . 51826 1 770 . 1 . 1 189 189 PHE C C 13 177.3821243 0 . . . . . . . 189 PHE C . 51826 1 771 . 1 . 1 189 189 PHE CA C 13 57.98560629 0 . . . . . . . 189 PHE CA . 51826 1 772 . 1 . 1 189 189 PHE CB C 13 40.21997443 0 . . . . . . . 189 PHE CB . 51826 1 773 . 1 . 1 189 189 PHE N N 15 122.2824395 1.348699152e-06 . . . . . . . 189 PHE N . 51826 1 774 . 1 . 1 190 190 SER C C 13 173.6059548 0 . . . . . . . 190 SER C . 51826 1 775 . 1 . 1 190 190 SER CA C 13 62.87677774 0.007167308347 . . . . . . . 190 SER CA . 51826 1 776 . 1 . 1 190 190 SER CB C 13 66.21804266 0 . . . . . . . 190 SER CB . 51826 1 777 . 1 . 1 191 191 ASP H H 1 8.007468678 0.002478415321 . . . . . . . 191 ASP H . 51826 1 778 . 1 . 1 191 191 ASP C C 13 174.9425954 0.02228432726 . . . . . . . 191 ASP C . 51826 1 779 . 1 . 1 191 191 ASP CA C 13 55.77990298 0.03298095313 . . . . . . . 191 ASP CA . 51826 1 780 . 1 . 1 191 191 ASP CB C 13 47.06041171 0.05571439624 . . . . . . . 191 ASP CB . 51826 1 781 . 1 . 1 191 191 ASP N N 15 118.9760056 2.697398305e-06 . . . . . . . 191 ASP N . 51826 1 782 . 1 . 1 192 192 TRP H H 1 9.20708722 0.002675293373 . . . . . . . 192 TRP H . 51826 1 783 . 1 . 1 192 192 TRP HE1 H 1 9.391062759 0 . . . . . . . 192 TRP HE1 . 51826 1 784 . 1 . 1 192 192 TRP C C 13 176.6195399 0.009212026328 . . . . . . . 192 TRP C . 51826 1 785 . 1 . 1 192 192 TRP CA C 13 61.41419633 0.01004016062 . . . . . . . 192 TRP CA . 51826 1 786 . 1 . 1 192 192 TRP CB C 13 32.01350606 0.0003614460258 . . . . . . . 192 TRP CB . 51826 1 787 . 1 . 1 192 192 TRP N N 15 122.5586583 0.0006736141341 . . . . . . . 192 TRP N . 51826 1 788 . 1 . 1 192 192 TRP NE1 N 15 131.1224128 0 . . . . . . . 192 TRP NE1 . 51826 1 789 . 1 . 1 193 193 ILE H H 1 9.258723104 0.002363000077 . . . . . . . 193 ILE H . 51826 1 790 . 1 . 1 193 193 ILE C C 13 173.3160443 0 . . . . . . . 193 ILE C . 51826 1 791 . 1 . 1 193 193 ILE CA C 13 60.86876064 0 . . . . . . . 193 ILE CA . 51826 1 792 . 1 . 1 193 193 ILE CB C 13 44.07156266 0 . . . . . . . 193 ILE CB . 51826 1 793 . 1 . 1 193 193 ILE N N 15 119.7950676 0.004932352672 . . . . . . . 193 ILE N . 51826 1 794 . 1 . 1 194 194 PRO C C 13 179.3574971 1.907348633e-06 . . . . . . . 194 PRO C . 51826 1 795 . 1 . 1 194 194 PRO CA C 13 65.95741036 0 . . . . . . . 194 PRO CA . 51826 1 796 . 1 . 1 194 194 PRO CB C 13 35.19251742 4.768371582e-07 . . . . . . . 194 PRO CB . 51826 1 797 . 1 . 1 195 195 LEU H H 1 9.321394099 0.001582798207 . . . . . . . 195 LEU H . 51826 1 798 . 1 . 1 195 195 LEU C C 13 179.6069543 0.01967381584 . . . . . . . 195 LEU C . 51826 1 799 . 1 . 1 195 195 LEU CA C 13 62.02354835 0.01606425699 . . . . . . . 195 LEU CA . 51826 1 800 . 1 . 1 195 195 LEU CB C 13 45.36777151 0 . . . . . . . 195 LEU CB . 51826 1 801 . 1 . 1 195 195 LEU N N 15 128.1430577 0.006601897367 . . . . . . . 195 LEU N . 51826 1 802 . 1 . 1 196 196 SER H H 1 8.760916686 0.00144470699 . . . . . . . 196 SER H . 51826 1 803 . 1 . 1 196 196 SER C C 13 175.0188938 0.01539821464 . . . . . . . 196 SER C . 51826 1 804 . 1 . 1 196 196 SER CA C 13 63.49587358 0 . . . . . . . 196 SER CA . 51826 1 805 . 1 . 1 196 196 SER CB C 13 65.48419349 0 . . . . . . . 196 SER CB . 51826 1 806 . 1 . 1 196 196 SER N N 15 109.9784257 0.03127931814 . . . . . . . 196 SER N . 51826 1 807 . 1 . 1 197 197 GLU H H 1 7.724572017 0.002119869604 . . . . . . . 197 GLU H . 51826 1 808 . 1 . 1 197 197 GLU C C 13 175.6588971 0 . . . . . . . 197 GLU C . 51826 1 809 . 1 . 1 197 197 GLU CA C 13 58.00091554 0 . . . . . . . 197 GLU CA . 51826 1 810 . 1 . 1 197 197 GLU CB C 13 33.09469428 0 . . . . . . . 197 GLU CB . 51826 1 811 . 1 . 1 197 197 GLU N N 15 119.5551298 3.568322551e-06 . . . . . . . 197 GLU N . 51826 1 812 . 1 . 1 198 198 THR H H 1 7.5448763 0 . . . . . . . 198 THR H . 51826 1 813 . 1 . 1 198 198 THR C C 13 175.2367135 0 . . . . . . . 198 THR C . 51826 1 814 . 1 . 1 198 198 THR CA C 13 64.71284755 0 . . . . . . . 198 THR CA . 51826 1 815 . 1 . 1 198 198 THR CB C 13 70.37562652 0 . . . . . . . 198 THR CB . 51826 1 816 . 1 . 1 198 198 THR N N 15 118.3516125 0 . . . . . . . 198 THR N . 51826 1 817 . 1 . 1 199 199 ALA H H 1 8.667404434 0.002868262613 . . . . . . . 199 ALA H . 51826 1 818 . 1 . 1 199 199 ALA C C 13 180.225479 0.02014938578 . . . . . . . 199 ALA C . 51826 1 819 . 1 . 1 199 199 ALA CA C 13 58.70262124 0.007457045581 . . . . . . . 199 ALA CA . 51826 1 820 . 1 . 1 199 199 ALA CB C 13 21.03845469 0.003638064137 . . . . . . . 199 ALA CB . 51826 1 821 . 1 . 1 199 199 ALA N N 15 133.513903 4.672030912e-06 . . . . . . . 199 ALA N . 51826 1 822 . 1 . 1 200 200 GLU H H 1 9.581851013 0.009818110843 . . . . . . . 200 GLU H . 51826 1 823 . 1 . 1 200 200 GLU C C 13 176.6999016 0.001229273986 . . . . . . . 200 GLU C . 51826 1 824 . 1 . 1 200 200 GLU CA C 13 61.57586797 0.03188017087 . . . . . . . 200 GLU CA . 51826 1 825 . 1 . 1 200 200 GLU CB C 13 32.80865397 0.02341713781 . . . . . . . 200 GLU CB . 51826 1 826 . 1 . 1 200 200 GLU N N 15 115.8707251 4.2649612e-06 . . . . . . . 200 GLU N . 51826 1 827 . 1 . 1 201 201 LEU H H 1 7.206529775 0.001614714804 . . . . . . . 201 LEU H . 51826 1 828 . 1 . 1 201 201 LEU C C 13 176.7839754 0.003496757912 . . . . . . . 201 LEU C . 51826 1 829 . 1 . 1 201 201 LEU CA C 13 56.85384906 0.001488336721 . . . . . . . 201 LEU CA . 51826 1 830 . 1 . 1 201 201 LEU CB C 13 45.39385378 0.02686132982 . . . . . . . 201 LEU CB . 51826 1 831 . 1 . 1 201 201 LEU N N 15 116.2641961 0.0005323519034 . . . . . . . 201 LEU N . 51826 1 832 . 1 . 1 202 202 ALA H H 1 7.761849182 0.004413383507 . . . . . . . 202 ALA H . 51826 1 833 . 1 . 1 202 202 ALA C C 13 176.6823031 0.001146587841 . . . . . . . 202 ALA C . 51826 1 834 . 1 . 1 202 202 ALA CA C 13 58.48193067 0.01093238716 . . . . . . . 202 ALA CA . 51826 1 835 . 1 . 1 202 202 ALA CB C 13 20.89764417 2.384185791e-07 . . . . . . . 202 ALA CB . 51826 1 836 . 1 . 1 202 202 ALA N N 15 122.8131755 0.01523998783 . . . . . . . 202 ALA N . 51826 1 837 . 1 . 1 203 203 SER H H 1 8.043729152 0.00342286807 . . . . . . . 203 SER H . 51826 1 838 . 1 . 1 203 203 SER C C 13 175.0753554 0.001324812562 . . . . . . . 203 SER C . 51826 1 839 . 1 . 1 203 203 SER CA C 13 62.88402899 0.008317904854 . . . . . . . 203 SER CA . 51826 1 840 . 1 . 1 203 203 SER CB C 13 65.68953189 0.00809283243 . . . . . . . 203 SER CB . 51826 1 841 . 1 . 1 203 203 SER N N 15 108.7065426 0.00229683822 . . . . . . . 203 SER N . 51826 1 842 . 1 . 1 204 204 VAL H H 1 7.259627224 0.001534626719 . . . . . . . 204 VAL H . 51826 1 843 . 1 . 1 204 204 VAL C C 13 175.1229078 0.02079926411 . . . . . . . 204 VAL C . 51826 1 844 . 1 . 1 204 204 VAL CA C 13 65.20284613 0.04464646265 . . . . . . . 204 VAL CA . 51826 1 845 . 1 . 1 204 204 VAL CB C 13 35.03525034 0.07195939736 . . . . . . . 204 VAL CB . 51826 1 846 . 1 . 1 204 204 VAL N N 15 117.2415252 0.0142740842 . . . . . . . 204 VAL N . 51826 1 847 . 1 . 1 205 205 LEU H H 1 6.891100665 0.003359434916 . . . . . . . 205 LEU H . 51826 1 848 . 1 . 1 205 205 LEU C C 13 175.4328811 0.003166978809 . . . . . . . 205 LEU C . 51826 1 849 . 1 . 1 205 205 LEU CA C 13 56.48459048 0.02042553192 . . . . . . . 205 LEU CA . 51826 1 850 . 1 . 1 205 205 LEU CB C 13 41.89318945 0 . . . . . . . 205 LEU CB . 51826 1 851 . 1 . 1 205 205 LEU N N 15 119.8196314 1.907348633e-06 . . . . . . . 205 LEU N . 51826 1 852 . 1 . 1 206 206 ALA H H 1 7.92848472 0.002069418585 . . . . . . . 206 ALA H . 51826 1 853 . 1 . 1 206 206 ALA C C 13 175.1417888 0 . . . . . . . 206 ALA C . 51826 1 854 . 1 . 1 206 206 ALA CA C 13 53.61933952 0 . . . . . . . 206 ALA CA . 51826 1 855 . 1 . 1 206 206 ALA CB C 13 20.78930825 0 . . . . . . . 206 ALA CB . 51826 1 856 . 1 . 1 206 206 ALA N N 15 125.4165821 0.01309316095 . . . . . . . 206 ALA N . 51826 1 857 . 1 . 1 207 207 PRO C C 13 176.7898605 2.697398305e-06 . . . . . . . 207 PRO C . 51826 1 858 . 1 . 1 207 207 PRO CA C 13 66.18280358 0 . . . . . . . 207 PRO CA . 51826 1 859 . 1 . 1 207 207 PRO CB C 13 34.75791226 0 . . . . . . . 207 PRO CB . 51826 1 860 . 1 . 1 208 208 ARG H H 1 8.613529584 0.002478358162 . . . . . . . 208 ARG H . 51826 1 861 . 1 . 1 208 208 ARG C C 13 174.2357728 0 . . . . . . . 208 ARG C . 51826 1 862 . 1 . 1 208 208 ARG CA C 13 56.5310318 0 . . . . . . . 208 ARG CA . 51826 1 863 . 1 . 1 208 208 ARG CB C 13 32.88977793 0 . . . . . . . 208 ARG CB . 51826 1 864 . 1 . 1 208 208 ARG N N 15 123.046612 2.697398305e-06 . . . . . . . 208 ARG N . 51826 1 865 . 1 . 1 209 209 PRO C C 13 176.0486325 2.697398305e-06 . . . . . . . 209 PRO C . 51826 1 866 . 1 . 1 209 209 PRO CA C 13 65.04218086 0.005524392405 . . . . . . . 209 PRO CA . 51826 1 867 . 1 . 1 209 209 PRO CB C 13 35.55375076 0.03396882572 . . . . . . . 209 PRO CB . 51826 1 868 . 1 . 1 209 209 PRO N N 15 120.4600091 1.907348633e-06 . . . . . . . 209 PRO N . 51826 1 869 . 1 . 1 210 210 SER H H 1 8.371068527 0.002270900959 . . . . . . . 210 SER H . 51826 1 870 . 1 . 1 210 210 SER C C 13 173.6463678 0 . . . . . . . 210 SER C . 51826 1 871 . 1 . 1 210 210 SER CA C 13 60.9594184 0 . . . . . . . 210 SER CA . 51826 1 872 . 1 . 1 210 210 SER CB C 13 66.87357701 0 . . . . . . . 210 SER CB . 51826 1 873 . 1 . 1 210 210 SER N N 15 119.7088539 1.907348633e-06 . . . . . . . 210 SER N . 51826 1 874 . 1 . 1 211 211 LYS H H 1 8.240364285 0 . . . . . . . 211 LYS H . 51826 1 875 . 1 . 1 211 211 LYS N N 15 123.8374367 0 . . . . . . . 211 LYS N . 51826 1 876 . 1 . 1 212 212 PRO C C 13 176.3025197 1.907348633e-06 . . . . . . . 212 PRO C . 51826 1 877 . 1 . 1 212 212 PRO CA C 13 65.73388037 0 . . . . . . . 212 PRO CA . 51826 1 878 . 1 . 1 212 212 PRO CB C 13 35.0984263 4.768371582e-07 . . . . . . . 212 PRO CB . 51826 1 879 . 1 . 1 213 213 VAL H H 1 8.251093569 0.0004744096597 . . . . . . . 213 VAL H . 51826 1 880 . 1 . 1 213 213 VAL C C 13 175.7386414 0.00179943358 . . . . . . . 213 VAL C . 51826 1 881 . 1 . 1 213 213 VAL CA C 13 65.13485205 0.05390135291 . . . . . . . 213 VAL CA . 51826 1 882 . 1 . 1 213 213 VAL CB C 13 35.38136015 0.0398050885 . . . . . . . 213 VAL CB . 51826 1 883 . 1 . 1 213 213 VAL N N 15 121.3066333 1.907348633e-06 . . . . . . . 213 VAL N . 51826 1 884 . 1 . 1 214 214 ILE H H 1 8.229086358 0.001167203211 . . . . . . . 214 ILE H . 51826 1 885 . 1 . 1 214 214 ILE C C 13 175.6224629 0.001569505722 . . . . . . . 214 ILE C . 51826 1 886 . 1 . 1 214 214 ILE CA C 13 63.39139082 0.004568611377 . . . . . . . 214 ILE CA . 51826 1 887 . 1 . 1 214 214 ILE CB C 13 41.33404147 0.001261012431 . . . . . . . 214 ILE CB . 51826 1 888 . 1 . 1 214 214 ILE N N 15 125.9258322 2.336015456e-06 . . . . . . . 214 ILE N . 51826 1 889 . 1 . 1 215 215 VAL H H 1 8.276429123 0.001740445462 . . . . . . . 215 VAL H . 51826 1 890 . 1 . 1 215 215 VAL C C 13 174.9033468 0.005702734786 . . . . . . . 215 VAL C . 51826 1 891 . 1 . 1 215 215 VAL CA C 13 64.59312706 0.02040712215 . . . . . . . 215 VAL CA . 51826 1 892 . 1 . 1 215 215 VAL CB C 13 35.45341116 0.005434782611 . . . . . . . 215 VAL CB . 51826 1 893 . 1 . 1 215 215 VAL N N 15 125.9488146 1.907348633e-06 . . . . . . . 215 VAL N . 51826 1 894 . 1 . 1 216 216 ALA H H 1 8.370802485 0.003847953299 . . . . . . . 216 ALA H . 51826 1 895 . 1 . 1 216 216 ALA C C 13 175.1005219 0 . . . . . . . 216 ALA C . 51826 1 896 . 1 . 1 216 216 ALA CA C 13 53.0381516 0 . . . . . . . 216 ALA CA . 51826 1 897 . 1 . 1 216 216 ALA CB C 13 20.9839183 0 . . . . . . . 216 ALA CB . 51826 1 898 . 1 . 1 216 216 ALA N N 15 129.7916611 0.006808718493 . . . . . . . 216 ALA N . 51826 1 899 . 1 . 1 217 217 PRO C C 13 175.2719196 1.907348633e-06 . . . . . . . 217 PRO C . 51826 1 900 . 1 . 1 217 217 PRO CA C 13 65.74560218 0 . . . . . . . 217 PRO CA . 51826 1 901 . 1 . 1 217 217 PRO CB C 13 34.68264058 4.768371582e-07 . . . . . . . 217 PRO CB . 51826 1 902 . 1 . 1 218 218 GLU H H 1 7.920659477 0.001185489551 . . . . . . . 218 GLU H . 51826 1 903 . 1 . 1 218 218 GLU C C 13 174.5185369 0 . . . . . . . 218 GLU C . 51826 1 904 . 1 . 1 218 218 GLU CA C 13 56.59528044 0 . . . . . . . 218 GLU CA . 51826 1 905 . 1 . 1 218 218 GLU CB C 13 33.97481 0 . . . . . . . 218 GLU CB . 51826 1 906 . 1 . 1 218 218 GLU N N 15 119.404523 2.697398305e-06 . . . . . . . 218 GLU N . 51826 1 907 . 1 . 1 219 219 PRO CA C 13 59.60570929 0 . . . . . . . 219 PRO CA . 51826 1 908 . 1 . 1 219 219 PRO CB C 13 32.96243643 0 . . . . . . . 219 PRO CB . 51826 1 909 . 1 . 1 220 220 VAL H H 1 8.368075271 0.004273568855 . . . . . . . 220 VAL H . 51826 1 910 . 1 . 1 220 220 VAL CA C 13 57.19466148 0 . . . . . . . 220 VAL CA . 51826 1 911 . 1 . 1 220 220 VAL CB C 13 32.51941613 0 . . . . . . . 220 VAL CB . 51826 1 912 . 1 . 1 220 220 VAL N N 15 121.2770504 1.348699152e-06 . . . . . . . 220 VAL N . 51826 1 913 . 1 . 1 221 221 SER C C 13 173.6178908 1.907348633e-06 . . . . . . . 221 SER C . 51826 1 914 . 1 . 1 221 221 SER CA C 13 60.91147624 0 . . . . . . . 221 SER CA . 51826 1 915 . 1 . 1 221 221 SER CB C 13 66.93256957 0 . . . . . . . 221 SER CB . 51826 1 916 . 1 . 1 222 222 GLY H H 1 7.993965873 0.001842617981 . . . . . . . 222 GLY H . 51826 1 917 . 1 . 1 222 222 GLY C C 13 178.6155902 0 . . . . . . . 222 GLY C . 51826 1 918 . 1 . 1 222 222 GLY CA C 13 49.0525922 0 . . . . . . . 222 GLY CA . 51826 1 919 . 1 . 1 222 222 GLY N N 15 117.2614792 2.697398305e-06 . . . . . . . 222 GLY N . 51826 1 stop_ save_