data_52238 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52238 _Entry.Title ; Backbone 1H, 13C, and 15N assignments of the C-terminal alpha helical domain from M. Bovis lactoferrin binding receptor B. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-12-12 _Entry.Accession_date 2023-12-12 _Entry.Last_release_date 2023-12-12 _Entry.Original_release_date 2023-12-12 _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 . _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 Nicholas Ostan . . . . 52238 2 Gregory Cole . B. . 0000-0003-3444-4374 52238 3 Sean Reichheld . E. . . 52238 4 Simon Sharpe . . . . 52238 5 Trevor Moraes . F. . . 52238 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Toronto' . 52238 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52238 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 421 52238 '15N chemical shifts' 210 52238 '1H chemical shifts' 223 52238 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 . . 2024-08-05 . original BMRB . 52238 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52238 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38633880 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A secreted bacterial protein protects bacteria from cationic antimicrobial peptides by entrapment in phase-separated droplets ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PNAS Nexus' _Citation.Journal_name_full 'PNAS nexus' _Citation.Journal_volume 3 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2752-6542 _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 pgae139 _Citation.Page_last pgae139 _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 Nicholas Ostan . . . . 52238 1 2 Gregory Cole G. B. . . 52238 1 3 'Flora Zhiqi' Wang F. Z. . . 52238 1 4 Sean Reichheld S. E. . . 52238 1 5 Gaelen Moore G. . . . 52238 1 6 Chuxi Pan C. . . . 52238 1 7 Ronghua Yu R. . . . 52238 1 8 'Christine Chieh-Lin' Lai C. C. . . 52238 1 9 Simon Sharpe S. . . . 52238 1 10 Hyun Lee H. O. . . 52238 1 11 Anthony Schryvers A. B. . . 52238 1 12 Trevor Moraes T. F. . . 52238 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'antimicrobial peptides, phase separation, secreted proteins' 52238 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52238 _Assembly.ID 1 _Assembly.Name CaHD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _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 31700 _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 CaHD 1 $entity_1 . . yes native no no . . . 52238 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Cationic antimicrobial peptide sequestration' 52238 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52238 _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 ; AEQNGKIAENAETTNKSGVI SKSTKPTKDQIEFAKQKLTE KVERLKKDLSDLIATYPNSK DKSALKKQITDKVLAGYVDV KEREYAEDDLKELLNALDVA EERANATEDILNILITGDKY KTDNEDNLKEFLVQSPLVQS TTNHTQEQLAIARDKLKAQL ETEKQDLEELLATFVIGNEI LGDEDGEEIDAKELDKLKAQ IIDKIKNAYTEDKRTEVEKQ AKLLIEQLKAEDEETTAKLV EFLAKGDKFDGENMANLTAY LPALVPRGSSAHHHHHHHHH H ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-281 _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 281 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Cationic antimicrobial peptide sequestration' 52238 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 52238 1 2 . GLU . 52238 1 3 . GLN . 52238 1 4 . ASN . 52238 1 5 . GLY . 52238 1 6 . LYS . 52238 1 7 . ILE . 52238 1 8 . ALA . 52238 1 9 . GLU . 52238 1 10 . ASN . 52238 1 11 . ALA . 52238 1 12 . GLU . 52238 1 13 . THR . 52238 1 14 . THR . 52238 1 15 . ASN . 52238 1 16 . LYS . 52238 1 17 . SER . 52238 1 18 . GLY . 52238 1 19 . VAL . 52238 1 20 . ILE . 52238 1 21 . SER . 52238 1 22 . LYS . 52238 1 23 . SER . 52238 1 24 . THR . 52238 1 25 . LYS . 52238 1 26 . PRO . 52238 1 27 . THR . 52238 1 28 . LYS . 52238 1 29 . ASP . 52238 1 30 . GLN . 52238 1 31 . ILE . 52238 1 32 . GLU . 52238 1 33 . PHE . 52238 1 34 . ALA . 52238 1 35 . LYS . 52238 1 36 . GLN . 52238 1 37 . LYS . 52238 1 38 . LEU . 52238 1 39 . THR . 52238 1 40 . GLU . 52238 1 41 . LYS . 52238 1 42 . VAL . 52238 1 43 . GLU . 52238 1 44 . ARG . 52238 1 45 . LEU . 52238 1 46 . LYS . 52238 1 47 . LYS . 52238 1 48 . ASP . 52238 1 49 . LEU . 52238 1 50 . SER . 52238 1 51 . ASP . 52238 1 52 . LEU . 52238 1 53 . ILE . 52238 1 54 . ALA . 52238 1 55 . THR . 52238 1 56 . TYR . 52238 1 57 . PRO . 52238 1 58 . ASN . 52238 1 59 . SER . 52238 1 60 . LYS . 52238 1 61 . ASP . 52238 1 62 . LYS . 52238 1 63 . SER . 52238 1 64 . ALA . 52238 1 65 . LEU . 52238 1 66 . LYS . 52238 1 67 . LYS . 52238 1 68 . GLN . 52238 1 69 . ILE . 52238 1 70 . THR . 52238 1 71 . ASP . 52238 1 72 . LYS . 52238 1 73 . VAL . 52238 1 74 . LEU . 52238 1 75 . ALA . 52238 1 76 . GLY . 52238 1 77 . TYR . 52238 1 78 . VAL . 52238 1 79 . ASP . 52238 1 80 . VAL . 52238 1 81 . LYS . 52238 1 82 . GLU . 52238 1 83 . ARG . 52238 1 84 . GLU . 52238 1 85 . TYR . 52238 1 86 . ALA . 52238 1 87 . GLU . 52238 1 88 . ASP . 52238 1 89 . ASP . 52238 1 90 . LEU . 52238 1 91 . LYS . 52238 1 92 . GLU . 52238 1 93 . LEU . 52238 1 94 . LEU . 52238 1 95 . ASN . 52238 1 96 . ALA . 52238 1 97 . LEU . 52238 1 98 . ASP . 52238 1 99 . VAL . 52238 1 100 . ALA . 52238 1 101 . GLU . 52238 1 102 . GLU . 52238 1 103 . ARG . 52238 1 104 . ALA . 52238 1 105 . ASN . 52238 1 106 . ALA . 52238 1 107 . THR . 52238 1 108 . GLU . 52238 1 109 . ASP . 52238 1 110 . ILE . 52238 1 111 . LEU . 52238 1 112 . ASN . 52238 1 113 . ILE . 52238 1 114 . LEU . 52238 1 115 . ILE . 52238 1 116 . THR . 52238 1 117 . GLY . 52238 1 118 . ASP . 52238 1 119 . LYS . 52238 1 120 . TYR . 52238 1 121 . LYS . 52238 1 122 . THR . 52238 1 123 . ASP . 52238 1 124 . ASN . 52238 1 125 . GLU . 52238 1 126 . ASP . 52238 1 127 . ASN . 52238 1 128 . LEU . 52238 1 129 . LYS . 52238 1 130 . GLU . 52238 1 131 . PHE . 52238 1 132 . LEU . 52238 1 133 . VAL . 52238 1 134 . GLN . 52238 1 135 . SER . 52238 1 136 . PRO . 52238 1 137 . LEU . 52238 1 138 . VAL . 52238 1 139 . GLN . 52238 1 140 . SER . 52238 1 141 . THR . 52238 1 142 . THR . 52238 1 143 . ASN . 52238 1 144 . HIS . 52238 1 145 . THR . 52238 1 146 . GLN . 52238 1 147 . GLU . 52238 1 148 . GLN . 52238 1 149 . LEU . 52238 1 150 . ALA . 52238 1 151 . ILE . 52238 1 152 . ALA . 52238 1 153 . ARG . 52238 1 154 . ASP . 52238 1 155 . LYS . 52238 1 156 . LEU . 52238 1 157 . LYS . 52238 1 158 . ALA . 52238 1 159 . GLN . 52238 1 160 . LEU . 52238 1 161 . GLU . 52238 1 162 . THR . 52238 1 163 . GLU . 52238 1 164 . LYS . 52238 1 165 . GLN . 52238 1 166 . ASP . 52238 1 167 . LEU . 52238 1 168 . GLU . 52238 1 169 . GLU . 52238 1 170 . LEU . 52238 1 171 . LEU . 52238 1 172 . ALA . 52238 1 173 . THR . 52238 1 174 . PHE . 52238 1 175 . VAL . 52238 1 176 . ILE . 52238 1 177 . GLY . 52238 1 178 . ASN . 52238 1 179 . GLU . 52238 1 180 . ILE . 52238 1 181 . LEU . 52238 1 182 . GLY . 52238 1 183 . ASP . 52238 1 184 . GLU . 52238 1 185 . ASP . 52238 1 186 . GLY . 52238 1 187 . GLU . 52238 1 188 . GLU . 52238 1 189 . ILE . 52238 1 190 . ASP . 52238 1 191 . ALA . 52238 1 192 . LYS . 52238 1 193 . GLU . 52238 1 194 . LEU . 52238 1 195 . ASP . 52238 1 196 . LYS . 52238 1 197 . LEU . 52238 1 198 . LYS . 52238 1 199 . ALA . 52238 1 200 . GLN . 52238 1 201 . ILE . 52238 1 202 . ILE . 52238 1 203 . ASP . 52238 1 204 . LYS . 52238 1 205 . ILE . 52238 1 206 . LYS . 52238 1 207 . ASN . 52238 1 208 . ALA . 52238 1 209 . TYR . 52238 1 210 . THR . 52238 1 211 . GLU . 52238 1 212 . ASP . 52238 1 213 . LYS . 52238 1 214 . ARG . 52238 1 215 . THR . 52238 1 216 . GLU . 52238 1 217 . VAL . 52238 1 218 . GLU . 52238 1 219 . LYS . 52238 1 220 . GLN . 52238 1 221 . ALA . 52238 1 222 . LYS . 52238 1 223 . LEU . 52238 1 224 . LEU . 52238 1 225 . ILE . 52238 1 226 . GLU . 52238 1 227 . GLN . 52238 1 228 . LEU . 52238 1 229 . LYS . 52238 1 230 . ALA . 52238 1 231 . GLU . 52238 1 232 . ASP . 52238 1 233 . GLU . 52238 1 234 . GLU . 52238 1 235 . THR . 52238 1 236 . THR . 52238 1 237 . ALA . 52238 1 238 . LYS . 52238 1 239 . LEU . 52238 1 240 . VAL . 52238 1 241 . GLU . 52238 1 242 . PHE . 52238 1 243 . LEU . 52238 1 244 . ALA . 52238 1 245 . LYS . 52238 1 246 . GLY . 52238 1 247 . ASP . 52238 1 248 . LYS . 52238 1 249 . PHE . 52238 1 250 . ASP . 52238 1 251 . GLY . 52238 1 252 . GLU . 52238 1 253 . ASN . 52238 1 254 . MET . 52238 1 255 . ALA . 52238 1 256 . ASN . 52238 1 257 . LEU . 52238 1 258 . THR . 52238 1 259 . ALA . 52238 1 260 . TYR . 52238 1 261 . LEU . 52238 1 262 . PRO . 52238 1 263 . ALA . 52238 1 264 . LEU . 52238 1 265 . VAL . 52238 1 266 . PRO . 52238 1 267 . ARG . 52238 1 268 . GLY . 52238 1 269 . SER . 52238 1 270 . SER . 52238 1 271 . ALA . 52238 1 272 . HIS . 52238 1 273 . HIS . 52238 1 274 . HIS . 52238 1 275 . HIS . 52238 1 276 . HIS . 52238 1 277 . HIS . 52238 1 278 . HIS . 52238 1 279 . HIS . 52238 1 280 . HIS . 52238 1 281 . HIS . 52238 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 . ALA 1 1 52238 1 . GLU 2 2 52238 1 . GLN 3 3 52238 1 . ASN 4 4 52238 1 . GLY 5 5 52238 1 . LYS 6 6 52238 1 . ILE 7 7 52238 1 . ALA 8 8 52238 1 . GLU 9 9 52238 1 . ASN 10 10 52238 1 . ALA 11 11 52238 1 . GLU 12 12 52238 1 . THR 13 13 52238 1 . THR 14 14 52238 1 . ASN 15 15 52238 1 . LYS 16 16 52238 1 . SER 17 17 52238 1 . GLY 18 18 52238 1 . VAL 19 19 52238 1 . ILE 20 20 52238 1 . SER 21 21 52238 1 . LYS 22 22 52238 1 . SER 23 23 52238 1 . THR 24 24 52238 1 . LYS 25 25 52238 1 . PRO 26 26 52238 1 . THR 27 27 52238 1 . LYS 28 28 52238 1 . ASP 29 29 52238 1 . GLN 30 30 52238 1 . ILE 31 31 52238 1 . GLU 32 32 52238 1 . PHE 33 33 52238 1 . ALA 34 34 52238 1 . LYS 35 35 52238 1 . GLN 36 36 52238 1 . LYS 37 37 52238 1 . LEU 38 38 52238 1 . THR 39 39 52238 1 . GLU 40 40 52238 1 . LYS 41 41 52238 1 . VAL 42 42 52238 1 . GLU 43 43 52238 1 . ARG 44 44 52238 1 . LEU 45 45 52238 1 . LYS 46 46 52238 1 . LYS 47 47 52238 1 . ASP 48 48 52238 1 . LEU 49 49 52238 1 . SER 50 50 52238 1 . ASP 51 51 52238 1 . LEU 52 52 52238 1 . ILE 53 53 52238 1 . ALA 54 54 52238 1 . THR 55 55 52238 1 . TYR 56 56 52238 1 . PRO 57 57 52238 1 . ASN 58 58 52238 1 . SER 59 59 52238 1 . LYS 60 60 52238 1 . ASP 61 61 52238 1 . LYS 62 62 52238 1 . SER 63 63 52238 1 . ALA 64 64 52238 1 . LEU 65 65 52238 1 . LYS 66 66 52238 1 . LYS 67 67 52238 1 . GLN 68 68 52238 1 . ILE 69 69 52238 1 . THR 70 70 52238 1 . ASP 71 71 52238 1 . LYS 72 72 52238 1 . VAL 73 73 52238 1 . LEU 74 74 52238 1 . ALA 75 75 52238 1 . GLY 76 76 52238 1 . TYR 77 77 52238 1 . VAL 78 78 52238 1 . ASP 79 79 52238 1 . VAL 80 80 52238 1 . LYS 81 81 52238 1 . GLU 82 82 52238 1 . ARG 83 83 52238 1 . GLU 84 84 52238 1 . TYR 85 85 52238 1 . ALA 86 86 52238 1 . GLU 87 87 52238 1 . ASP 88 88 52238 1 . ASP 89 89 52238 1 . LEU 90 90 52238 1 . LYS 91 91 52238 1 . GLU 92 92 52238 1 . LEU 93 93 52238 1 . LEU 94 94 52238 1 . ASN 95 95 52238 1 . ALA 96 96 52238 1 . LEU 97 97 52238 1 . ASP 98 98 52238 1 . VAL 99 99 52238 1 . ALA 100 100 52238 1 . GLU 101 101 52238 1 . GLU 102 102 52238 1 . ARG 103 103 52238 1 . ALA 104 104 52238 1 . ASN 105 105 52238 1 . ALA 106 106 52238 1 . THR 107 107 52238 1 . GLU 108 108 52238 1 . ASP 109 109 52238 1 . ILE 110 110 52238 1 . LEU 111 111 52238 1 . ASN 112 112 52238 1 . ILE 113 113 52238 1 . LEU 114 114 52238 1 . ILE 115 115 52238 1 . THR 116 116 52238 1 . GLY 117 117 52238 1 . ASP 118 118 52238 1 . LYS 119 119 52238 1 . TYR 120 120 52238 1 . LYS 121 121 52238 1 . THR 122 122 52238 1 . ASP 123 123 52238 1 . ASN 124 124 52238 1 . GLU 125 125 52238 1 . ASP 126 126 52238 1 . ASN 127 127 52238 1 . LEU 128 128 52238 1 . LYS 129 129 52238 1 . GLU 130 130 52238 1 . PHE 131 131 52238 1 . LEU 132 132 52238 1 . VAL 133 133 52238 1 . GLN 134 134 52238 1 . SER 135 135 52238 1 . PRO 136 136 52238 1 . LEU 137 137 52238 1 . VAL 138 138 52238 1 . GLN 139 139 52238 1 . SER 140 140 52238 1 . THR 141 141 52238 1 . THR 142 142 52238 1 . ASN 143 143 52238 1 . HIS 144 144 52238 1 . THR 145 145 52238 1 . GLN 146 146 52238 1 . GLU 147 147 52238 1 . GLN 148 148 52238 1 . LEU 149 149 52238 1 . ALA 150 150 52238 1 . ILE 151 151 52238 1 . ALA 152 152 52238 1 . ARG 153 153 52238 1 . ASP 154 154 52238 1 . LYS 155 155 52238 1 . LEU 156 156 52238 1 . LYS 157 157 52238 1 . ALA 158 158 52238 1 . GLN 159 159 52238 1 . LEU 160 160 52238 1 . GLU 161 161 52238 1 . THR 162 162 52238 1 . GLU 163 163 52238 1 . LYS 164 164 52238 1 . GLN 165 165 52238 1 . ASP 166 166 52238 1 . LEU 167 167 52238 1 . GLU 168 168 52238 1 . GLU 169 169 52238 1 . LEU 170 170 52238 1 . LEU 171 171 52238 1 . ALA 172 172 52238 1 . THR 173 173 52238 1 . PHE 174 174 52238 1 . VAL 175 175 52238 1 . ILE 176 176 52238 1 . GLY 177 177 52238 1 . ASN 178 178 52238 1 . GLU 179 179 52238 1 . ILE 180 180 52238 1 . LEU 181 181 52238 1 . GLY 182 182 52238 1 . ASP 183 183 52238 1 . GLU 184 184 52238 1 . ASP 185 185 52238 1 . GLY 186 186 52238 1 . GLU 187 187 52238 1 . GLU 188 188 52238 1 . ILE 189 189 52238 1 . ASP 190 190 52238 1 . ALA 191 191 52238 1 . LYS 192 192 52238 1 . GLU 193 193 52238 1 . LEU 194 194 52238 1 . ASP 195 195 52238 1 . LYS 196 196 52238 1 . LEU 197 197 52238 1 . LYS 198 198 52238 1 . ALA 199 199 52238 1 . GLN 200 200 52238 1 . ILE 201 201 52238 1 . ILE 202 202 52238 1 . ASP 203 203 52238 1 . LYS 204 204 52238 1 . ILE 205 205 52238 1 . LYS 206 206 52238 1 . ASN 207 207 52238 1 . ALA 208 208 52238 1 . TYR 209 209 52238 1 . THR 210 210 52238 1 . GLU 211 211 52238 1 . ASP 212 212 52238 1 . LYS 213 213 52238 1 . ARG 214 214 52238 1 . THR 215 215 52238 1 . GLU 216 216 52238 1 . VAL 217 217 52238 1 . GLU 218 218 52238 1 . LYS 219 219 52238 1 . GLN 220 220 52238 1 . ALA 221 221 52238 1 . LYS 222 222 52238 1 . LEU 223 223 52238 1 . LEU 224 224 52238 1 . ILE 225 225 52238 1 . GLU 226 226 52238 1 . GLN 227 227 52238 1 . LEU 228 228 52238 1 . LYS 229 229 52238 1 . ALA 230 230 52238 1 . GLU 231 231 52238 1 . ASP 232 232 52238 1 . GLU 233 233 52238 1 . GLU 234 234 52238 1 . THR 235 235 52238 1 . THR 236 236 52238 1 . ALA 237 237 52238 1 . LYS 238 238 52238 1 . LEU 239 239 52238 1 . VAL 240 240 52238 1 . GLU 241 241 52238 1 . PHE 242 242 52238 1 . LEU 243 243 52238 1 . ALA 244 244 52238 1 . LYS 245 245 52238 1 . GLY 246 246 52238 1 . ASP 247 247 52238 1 . LYS 248 248 52238 1 . PHE 249 249 52238 1 . ASP 250 250 52238 1 . GLY 251 251 52238 1 . GLU 252 252 52238 1 . ASN 253 253 52238 1 . MET 254 254 52238 1 . ALA 255 255 52238 1 . ASN 256 256 52238 1 . LEU 257 257 52238 1 . THR 258 258 52238 1 . ALA 259 259 52238 1 . TYR 260 260 52238 1 . LEU 261 261 52238 1 . PRO 262 262 52238 1 . ALA 263 263 52238 1 . LEU 264 264 52238 1 . VAL 265 265 52238 1 . PRO 266 266 52238 1 . ARG 267 267 52238 1 . GLY 268 268 52238 1 . SER 269 269 52238 1 . SER 270 270 52238 1 . ALA 271 271 52238 1 . HIS 272 272 52238 1 . HIS 273 273 52238 1 . HIS 274 274 52238 1 . HIS 275 275 52238 1 . HIS 276 276 52238 1 . HIS 277 277 52238 1 . HIS 278 278 52238 1 . HIS 279 279 52238 1 . HIS 280 280 52238 1 . HIS 281 281 52238 1 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 52238 _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 . 476 organism . 'Moraxella bovis' 'Moraxella bovis' . . Bacteria . Moraxella bovis N114 . . . . . . . . . . LbpB . 52238 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 52238 _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 BL21 C43 . plasmid . . pET52-b(+) . . . 52238 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52238 _Sample.ID 1 _Sample.Name 'CaHD Triple labeled' _Sample.Type solution _Sample.Sub_type . _Sample.Details '1mM CaHD, 50mM Sodium Phosphate (pH 7.0), 50mM NaCl, 50mM glutamate and 50mM arginine.' _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 CaHD '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 1 . . mM . . . . 52238 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 52238 1 3 'Sodium Phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52238 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 52238 1 5 glutamate 'natural abundance' . . . . . . 50 . . mM . . . . 52238 1 6 arginine 'natural abundance' . . . . . . 50 . . mM . . . . 52238 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52238 _Sample.ID 2 _Sample.Name 'CaHD 15N labeled' _Sample.Type solution _Sample.Sub_type . _Sample.Details '1mM CaHD, 50mM Sodium Phosphate (pH 7.0), 50mM NaCl, 50mM glutamate and 50mM arginine.' _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 CaHD '[U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 52238 2 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 52238 2 3 'Sodium Phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52238 2 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 52238 2 5 glutamate 'natural abundance' . . . . . . 50 . . mM . . . . 52238 2 6 arginine 'natural abundance' . . . . . . 50 . . mM . . . . 52238 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 52238 _Sample.ID 3 _Sample.Name 'CaHD double labeled' _Sample.Type solution _Sample.Sub_type . _Sample.Details '1mM CaHD, 50mM Sodium Phosphate (pH 8.0), 50mM NaCl, 50mM glutamate and 50mM arginine.' _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 CaHD '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 52238 3 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 52238 3 3 'Sodium Phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52238 3 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 52238 3 5 glutamate 'natural abundance' . . . . . . 50 . . mM . . . . 52238 3 6 arginine 'natural abundance' . . . . . . 50 . . mM . . . . 52238 3 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 52238 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_conditions_1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 52238 1 pH 7 . pH 52238 1 pressure 1 . atm 52238 1 temperature 303 . K 52238 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52238 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52238 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52238 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52238 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52238 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52238 3 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 52238 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Avance III' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52238 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'QANUC 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 52238 _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 . . . . . . . . . . . . . . . . . 52238 1 2 '3D HNCO TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52238 1 3 '3D HNcoCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52238 1 4 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52238 1 5 '3D TROSY HNcaCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52238 1 6 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52238 1 7 hCcoNH no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52238 1 8 '2D 1H-13C HSQC TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52238 1 9 '2D 1H-15N HSQC' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52238 1 10 '3D HCCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52238 1 11 'NOESY HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52238 1 12 hCccoNH no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52238 1 13 HBHAcoHN no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52238 1 14 'HSQC HBHANH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52238 1 15 'NOESY HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52238 1 16 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52238 1 17 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52238 1 18 HNcoCA no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52238 1 19 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52238 1 20 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52238 1 21 '3D CBCANH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52238 1 22 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52238 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 52238 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details 'Water used as internal standard. DSS used as a calibration standard.' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . 52238 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 52238 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 52238 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 52238 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 52238 1 10 '3D HCCH-TOCSY' . . . 52238 1 12 hCccoNH . . . 52238 1 13 HBHAcoHN . . . 52238 1 14 'HSQC HBHANH' . . . 52238 1 15 'NOESY HSQC' . . . 52238 1 17 '3D HNCA' . . . 52238 1 18 HNcoCA . . . 52238 1 19 '3D HNCO' . . . 52238 1 20 '3D HN(CA)CO' . . . 52238 1 21 '3D CBCANH' . . . 52238 1 22 '3D CBCA(CO)NH' . . . 52238 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52238 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 29 29 ASP H H 1 8.298979403 0.0004745256605 . . . . . . . 29 ASP H . 52238 1 2 . 1 . 1 29 29 ASP N N 15 116.8236838 0 . . . . . . . 29 ASP N . 52238 1 3 . 1 . 1 30 30 GLN H H 1 7.744535497 0.001810842638 . . . . . . . 30 GLN H . 52238 1 4 . 1 . 1 30 30 GLN C C 13 178.9880956 0 . . . . . . . 30 GLN C . 52238 1 5 . 1 . 1 30 30 GLN CA C 13 58.63226488 0.0164144759 . . . . . . . 30 GLN CA . 52238 1 6 . 1 . 1 30 30 GLN N N 15 120.4447149 0.0543836198 . . . . . . . 30 GLN N . 52238 1 7 . 1 . 1 31 31 ILE H H 1 8.238687906 0.002686334767 . . . . . . . 31 ILE H . 52238 1 8 . 1 . 1 31 31 ILE C C 13 177.842145 0.01755611939 . . . . . . . 31 ILE C . 52238 1 9 . 1 . 1 31 31 ILE CA C 13 63.98897572 0.07533062286 . . . . . . . 31 ILE CA . 52238 1 10 . 1 . 1 31 31 ILE N N 15 121.0237715 0.02134517945 . . . . . . . 31 ILE N . 52238 1 11 . 1 . 1 32 32 GLU H H 1 8.306870282 0.005126804756 . . . . . . . 32 GLU H . 52238 1 12 . 1 . 1 32 32 GLU C C 13 179.617513 0 . . . . . . . 32 GLU C . 52238 1 13 . 1 . 1 32 32 GLU CA C 13 59.20280015 0.0668384817 . . . . . . . 32 GLU CA . 52238 1 14 . 1 . 1 32 32 GLU N N 15 118.965858 0.09691664555 . . . . . . . 32 GLU N . 52238 1 15 . 1 . 1 33 33 PHE H H 1 8.029608103 0.004623477642 . . . . . . . 33 PHE H . 52238 1 16 . 1 . 1 33 33 PHE C C 13 177.2723794 0.02165134889 . . . . . . . 33 PHE C . 52238 1 17 . 1 . 1 33 33 PHE CA C 13 60.47588973 0.03584382308 . . . . . . . 33 PHE CA . 52238 1 18 . 1 . 1 33 33 PHE N N 15 120.386204 0.1300749386 . . . . . . . 33 PHE N . 52238 1 19 . 1 . 1 34 34 ALA H H 1 8.298349736 0.003509813144 . . . . . . . 34 ALA H . 52238 1 20 . 1 . 1 34 34 ALA C C 13 178.9880112 0.009325075452 . . . . . . . 34 ALA C . 52238 1 21 . 1 . 1 34 34 ALA CA C 13 54.66597552 0.02041671048 . . . . . . . 34 ALA CA . 52238 1 22 . 1 . 1 34 34 ALA N N 15 121.8558465 0.01793004023 . . . . . . . 34 ALA N . 52238 1 23 . 1 . 1 35 35 LYS H H 1 8.580317948 0.005072252598 . . . . . . . 35 LYS H . 52238 1 24 . 1 . 1 35 35 LYS C C 13 179.2853182 0.04963648389 . . . . . . . 35 LYS C . 52238 1 25 . 1 . 1 35 35 LYS CA C 13 60.24351769 0.06011070263 . . . . . . . 35 LYS CA . 52238 1 26 . 1 . 1 35 35 LYS N N 15 117.3537589 0.03054403508 . . . . . . . 35 LYS N . 52238 1 27 . 1 . 1 36 36 GLN H H 1 7.729397216 0.001965406297 . . . . . . . 36 GLN H . 52238 1 28 . 1 . 1 36 36 GLN C C 13 178.7329664 0.01082869852 . . . . . . . 36 GLN C . 52238 1 29 . 1 . 1 36 36 GLN CA C 13 58.44661202 0 . . . . . . . 36 GLN CA . 52238 1 30 . 1 . 1 36 36 GLN N N 15 119.9590452 0.0582818384 . . . . . . . 36 GLN N . 52238 1 31 . 1 . 1 37 37 LYS H H 1 7.762718623 0.006266382103 . . . . . . . 37 LYS H . 52238 1 32 . 1 . 1 37 37 LYS C C 13 179.6127422 0.04857019454 . . . . . . . 37 LYS C . 52238 1 33 . 1 . 1 37 37 LYS CA C 13 57.05714692 0.1047576677 . . . . . . . 37 LYS CA . 52238 1 34 . 1 . 1 37 37 LYS N N 15 119.2696294 0.02387785814 . . . . . . . 37 LYS N . 52238 1 35 . 1 . 1 38 38 LEU H H 1 8.049353414 0.002498266055 . . . . . . . 38 LEU H . 52238 1 36 . 1 . 1 38 38 LEU C C 13 177.9577863 0.0105752272 . . . . . . . 38 LEU C . 52238 1 37 . 1 . 1 38 38 LEU CA C 13 57.70030008 0.07020296612 . . . . . . . 38 LEU CA . 52238 1 38 . 1 . 1 38 38 LEU N N 15 123.2002819 0.02763593648 . . . . . . . 38 LEU N . 52238 1 39 . 1 . 1 39 39 THR H H 1 8.061100144 0.008802312233 . . . . . . . 39 THR H . 52238 1 40 . 1 . 1 39 39 THR C C 13 176.4788391 0 . . . . . . . 39 THR C . 52238 1 41 . 1 . 1 39 39 THR CA C 13 66.90723892 0.04405305552 . . . . . . . 39 THR CA . 52238 1 42 . 1 . 1 39 39 THR N N 15 116.0363672 0.04528749684 . . . . . . . 39 THR N . 52238 1 43 . 1 . 1 40 40 GLU H H 1 7.975095378 0.009333439729 . . . . . . . 40 GLU H . 52238 1 44 . 1 . 1 40 40 GLU C C 13 178.8703275 0.01090000983 . . . . . . . 40 GLU C . 52238 1 45 . 1 . 1 40 40 GLU CA C 13 59.02570313 0 . . . . . . . 40 GLU CA . 52238 1 46 . 1 . 1 40 40 GLU N N 15 121.0241702 0.0319796587 . . . . . . . 40 GLU N . 52238 1 47 . 1 . 1 41 41 LYS H H 1 7.825750516 0.003052201832 . . . . . . . 41 LYS H . 52238 1 48 . 1 . 1 41 41 LYS C C 13 178.4018057 0.001401514532 . . . . . . . 41 LYS C . 52238 1 49 . 1 . 1 41 41 LYS CA C 13 59.1811829 0.005090941508 . . . . . . . 41 LYS CA . 52238 1 50 . 1 . 1 41 41 LYS N N 15 121.7105855 0.07138344777 . . . . . . . 41 LYS N . 52238 1 51 . 1 . 1 42 42 VAL H H 1 8.208655148 0.000989914005 . . . . . . . 42 VAL H . 52238 1 52 . 1 . 1 42 42 VAL C C 13 177.6405457 0.0135034363 . . . . . . . 42 VAL C . 52238 1 53 . 1 . 1 42 42 VAL CA C 13 66.50387312 0.01956334339 . . . . . . . 42 VAL CA . 52238 1 54 . 1 . 1 42 42 VAL N N 15 119.8074733 0.04812067819 . . . . . . . 42 VAL N . 52238 1 55 . 1 . 1 43 43 GLU H H 1 8.179053819 0.00243112819 . . . . . . . 43 GLU H . 52238 1 56 . 1 . 1 43 43 GLU C C 13 179.7949254 0.00182791978 . . . . . . . 43 GLU C . 52238 1 57 . 1 . 1 43 43 GLU CA C 13 59.15285065 0.0241387945 . . . . . . . 43 GLU CA . 52238 1 58 . 1 . 1 43 43 GLU N N 15 119.0401178 0.02933011445 . . . . . . . 43 GLU N . 52238 1 59 . 1 . 1 44 44 ARG H H 1 7.800464102 0.002967249755 . . . . . . . 44 ARG H . 52238 1 60 . 1 . 1 44 44 ARG C C 13 178.7816224 0.01995452771 . . . . . . . 44 ARG C . 52238 1 61 . 1 . 1 44 44 ARG CA C 13 59.02071659 0.009938233599 . . . . . . . 44 ARG CA . 52238 1 62 . 1 . 1 44 44 ARG N N 15 120.6556887 0.05648829061 . . . . . . . 44 ARG N . 52238 1 63 . 1 . 1 45 45 LEU H H 1 8.164756308 0.001941881171 . . . . . . . 45 LEU H . 52238 1 64 . 1 . 1 45 45 LEU C C 13 180.2185457 0.01047707628 . . . . . . . 45 LEU C . 52238 1 65 . 1 . 1 45 45 LEU CA C 13 57.43372047 0.04749912287 . . . . . . . 45 LEU CA . 52238 1 66 . 1 . 1 45 45 LEU N N 15 120.7496679 0.03080694485 . . . . . . . 45 LEU N . 52238 1 67 . 1 . 1 46 46 LYS H H 1 8.708194275 0.002214783725 . . . . . . . 46 LYS H . 52238 1 68 . 1 . 1 46 46 LYS C C 13 178.1242917 0.01747981702 . . . . . . . 46 LYS C . 52238 1 69 . 1 . 1 46 46 LYS CA C 13 59.72869926 0 . . . . . . . 46 LYS CA . 52238 1 70 . 1 . 1 46 46 LYS N N 15 120.8401187 0.04454629333 . . . . . . . 46 LYS N . 52238 1 71 . 1 . 1 47 47 LYS H H 1 7.815294581 0.002451323877 . . . . . . . 47 LYS H . 52238 1 72 . 1 . 1 47 47 LYS C C 13 178.2359797 0.003156169841 . . . . . . . 47 LYS C . 52238 1 73 . 1 . 1 47 47 LYS CA C 13 58.83458371 0.03833817349 . . . . . . . 47 LYS CA . 52238 1 74 . 1 . 1 47 47 LYS N N 15 121.2226464 0.1877437482 . . . . . . . 47 LYS N . 52238 1 75 . 1 . 1 48 48 ASP H H 1 8.323292852 0.003277376259 . . . . . . . 48 ASP H . 52238 1 76 . 1 . 1 48 48 ASP C C 13 179.4665733 0.0005650614887 . . . . . . . 48 ASP C . 52238 1 77 . 1 . 1 48 48 ASP CA C 13 56.89372045 0.02159699281 . . . . . . . 48 ASP CA . 52238 1 78 . 1 . 1 48 48 ASP N N 15 118.8195812 0.03611092477 . . . . . . . 48 ASP N . 52238 1 79 . 1 . 1 49 49 LEU H H 1 8.178071988 0.005652254728 . . . . . . . 49 LEU H . 52238 1 80 . 1 . 1 49 49 LEU C C 13 178.4098203 0.009648162572 . . . . . . . 49 LEU C . 52238 1 81 . 1 . 1 49 49 LEU CA C 13 57.10512199 0.01718465864 . . . . . . . 49 LEU CA . 52238 1 82 . 1 . 1 49 49 LEU N N 15 120.0247647 0.1085574331 . . . . . . . 49 LEU N . 52238 1 83 . 1 . 1 50 50 SER H H 1 8.76957758 0.002940941156 . . . . . . . 50 SER H . 52238 1 84 . 1 . 1 50 50 SER C C 13 177.5885639 0 . . . . . . . 50 SER C . 52238 1 85 . 1 . 1 50 50 SER CA C 13 62.61420014 0.02173464647 . . . . . . . 50 SER CA . 52238 1 86 . 1 . 1 50 50 SER N N 15 116.4554008 0.06953277326 . . . . . . . 50 SER N . 52238 1 87 . 1 . 1 51 51 ASP H H 1 8.55241622 0.002270582686 . . . . . . . 51 ASP H . 52238 1 88 . 1 . 1 51 51 ASP C C 13 178.5511657 0.0169996609 . . . . . . . 51 ASP C . 52238 1 89 . 1 . 1 51 51 ASP CA C 13 56.90256654 0.05679147287 . . . . . . . 51 ASP CA . 52238 1 90 . 1 . 1 51 51 ASP N N 15 121.6560114 0.02032661639 . . . . . . . 51 ASP N . 52238 1 91 . 1 . 1 52 52 LEU H H 1 7.714267604 0.004662928562 . . . . . . . 52 LEU H . 52238 1 92 . 1 . 1 52 52 LEU C C 13 180.949466 0.005306288461 . . . . . . . 52 LEU C . 52238 1 93 . 1 . 1 52 52 LEU CA C 13 57.60481079 0.04684405298 . . . . . . . 52 LEU CA . 52238 1 94 . 1 . 1 52 52 LEU N N 15 121.3331311 0.06639394431 . . . . . . . 52 LEU N . 52238 1 95 . 1 . 1 53 53 ILE H H 1 8.873940134 0.002058419416 . . . . . . . 53 ILE H . 52238 1 96 . 1 . 1 53 53 ILE C C 13 178.5686086 0.01365713473 . . . . . . . 53 ILE C . 52238 1 97 . 1 . 1 53 53 ILE CA C 13 66.11274171 0.02057934351 . . . . . . . 53 ILE CA . 52238 1 98 . 1 . 1 53 53 ILE N N 15 121.2689257 0.0399668295 . . . . . . . 53 ILE N . 52238 1 99 . 1 . 1 54 54 ALA H H 1 8.067624379 0.002581468723 . . . . . . . 54 ALA H . 52238 1 100 . 1 . 1 54 54 ALA C C 13 179.1238572 0.03053942703 . . . . . . . 54 ALA C . 52238 1 101 . 1 . 1 54 54 ALA CA C 13 54.20159932 0.02353332686 . . . . . . . 54 ALA CA . 52238 1 102 . 1 . 1 54 54 ALA N N 15 121.94032 0.07096310905 . . . . . . . 54 ALA N . 52238 1 103 . 1 . 1 55 55 THR H H 1 7.539871903 0.003561755782 . . . . . . . 55 THR H . 52238 1 104 . 1 . 1 55 55 THR C C 13 175.6429459 0.01963072957 . . . . . . . 55 THR C . 52238 1 105 . 1 . 1 55 55 THR CA C 13 62.49577459 0.005215178005 . . . . . . . 55 THR CA . 52238 1 106 . 1 . 1 55 55 THR N N 15 106.8765992 0.08065847357 . . . . . . . 55 THR N . 52238 1 107 . 1 . 1 56 56 TYR H H 1 7.957061034 0.001840443029 . . . . . . . 56 TYR H . 52238 1 108 . 1 . 1 56 56 TYR C C 13 173.7344799 0 . . . . . . . 56 TYR C . 52238 1 109 . 1 . 1 56 56 TYR CA C 13 63.25246082 0 . . . . . . . 56 TYR CA . 52238 1 110 . 1 . 1 56 56 TYR N N 15 122.8167172 0.03947852948 . . . . . . . 56 TYR N . 52238 1 111 . 1 . 1 58 58 ASN C C 13 175.0303214 0 . . . . . . . 58 ASN C . 52238 1 112 . 1 . 1 58 58 ASN CA C 13 52.01135651 0 . . . . . . . 58 ASN CA . 52238 1 113 . 1 . 1 59 59 SER H H 1 7.434574347 0.002944721101 . . . . . . . 59 SER H . 52238 1 114 . 1 . 1 59 59 SER C C 13 175.9966083 0 . . . . . . . 59 SER C . 52238 1 115 . 1 . 1 59 59 SER CA C 13 58.78291922 0 . . . . . . . 59 SER CA . 52238 1 116 . 1 . 1 59 59 SER N N 15 115.6504052 0.06994491216 . . . . . . . 59 SER N . 52238 1 117 . 1 . 1 63 63 SER H H 1 8.431474376 0.003421903348 . . . . . . . 63 SER H . 52238 1 118 . 1 . 1 63 63 SER HA H 1 4.716693247 0.002849556013 . . . . . . . 63 SER HA . 52238 1 119 . 1 . 1 63 63 SER HB2 H 1 3.951575241 0.001131988519 . . . . . . . 63 SER HB2 . 52238 1 120 . 1 . 1 63 63 SER C C 13 177.4472332 0 . . . . . . . 63 SER C . 52238 1 121 . 1 . 1 63 63 SER CA C 13 61.86855917 0.00594673284 . . . . . . . 63 SER CA . 52238 1 122 . 1 . 1 63 63 SER N N 15 114.5861601 0.009350156739 . . . . . . . 63 SER N . 52238 1 123 . 1 . 1 64 64 ALA H H 1 7.735367079 0.006664117576 . . . . . . . 64 ALA H . 52238 1 124 . 1 . 1 64 64 ALA HA H 1 4.12631558 0 . . . . . . . 64 ALA HA . 52238 1 125 . 1 . 1 64 64 ALA HB1 H 1 1.371540327 0.006262594825 . . . . . . . 64 ALA HB# . 52238 1 126 . 1 . 1 64 64 ALA HB2 H 1 1.371540327 0.006262594825 . . . . . . . 64 ALA HB# . 52238 1 127 . 1 . 1 64 64 ALA HB3 H 1 1.371540327 0.006262594825 . . . . . . . 64 ALA HB# . 52238 1 128 . 1 . 1 64 64 ALA C C 13 180.8830299 0.02438212914 . . . . . . . 64 ALA C . 52238 1 129 . 1 . 1 64 64 ALA CA C 13 54.23638382 0 . . . . . . . 64 ALA CA . 52238 1 130 . 1 . 1 64 64 ALA N N 15 125.1108666 0.04856711296 . . . . . . . 64 ALA N . 52238 1 131 . 1 . 1 65 65 LEU H H 1 7.774530114 0.00747856303 . . . . . . . 65 LEU H . 52238 1 132 . 1 . 1 65 65 LEU C C 13 179.4496268 0.02432985678 . . . . . . . 65 LEU C . 52238 1 133 . 1 . 1 65 65 LEU CA C 13 57.38280227 0 . . . . . . . 65 LEU CA . 52238 1 134 . 1 . 1 65 65 LEU N N 15 120.483057 0.137529638 . . . . . . . 65 LEU N . 52238 1 135 . 1 . 1 66 66 LYS H H 1 8.592923042 0.008752718005 . . . . . . . 66 LYS H . 52238 1 136 . 1 . 1 66 66 LYS C C 13 179.4991746 0.01240209108 . . . . . . . 66 LYS C . 52238 1 137 . 1 . 1 66 66 LYS CA C 13 61.09871146 0 . . . . . . . 66 LYS CA . 52238 1 138 . 1 . 1 66 66 LYS N N 15 118.3800314 0.05161859252 . . . . . . . 66 LYS N . 52238 1 139 . 1 . 1 67 67 LYS H H 1 7.542666785 0.005969468858 . . . . . . . 67 LYS H . 52238 1 140 . 1 . 1 67 67 LYS C C 13 177.7415494 0.006355227828 . . . . . . . 67 LYS C . 52238 1 141 . 1 . 1 67 67 LYS CA C 13 59.38642917 0.1592869947 . . . . . . . 67 LYS CA . 52238 1 142 . 1 . 1 67 67 LYS N N 15 121.4724599 0.02217818704 . . . . . . . 67 LYS N . 52238 1 143 . 1 . 1 68 68 GLN H H 1 7.919118319 0.01013205583 . . . . . . . 68 GLN H . 52238 1 144 . 1 . 1 68 68 GLN C C 13 179.4772911 0.01342382889 . . . . . . . 68 GLN C . 52238 1 145 . 1 . 1 68 68 GLN CA C 13 58.87184023 0 . . . . . . . 68 GLN CA . 52238 1 146 . 1 . 1 68 68 GLN N N 15 119.3802678 0.03811244776 . . . . . . . 68 GLN N . 52238 1 147 . 1 . 1 69 69 ILE H H 1 8.743762598 0.005225136435 . . . . . . . 69 ILE H . 52238 1 148 . 1 . 1 69 69 ILE C C 13 176.9128235 0.04432340636 . . . . . . . 69 ILE C . 52238 1 149 . 1 . 1 69 69 ILE CA C 13 65.71283377 0.06162977247 . . . . . . . 69 ILE CA . 52238 1 150 . 1 . 1 69 69 ILE N N 15 118.6686744 0.05098304233 . . . . . . . 69 ILE N . 52238 1 151 . 1 . 1 70 70 THR H H 1 8.001782535 0.004438321371 . . . . . . . 70 THR H . 52238 1 152 . 1 . 1 70 70 THR C C 13 175.1839158 0 . . . . . . . 70 THR C . 52238 1 153 . 1 . 1 70 70 THR CA C 13 67.62233391 0.03448676831 . . . . . . . 70 THR CA . 52238 1 154 . 1 . 1 70 70 THR N N 15 115.8777284 0.02845515302 . . . . . . . 70 THR N . 52238 1 155 . 1 . 1 71 71 ASP H H 1 8.315889145 0.005921263051 . . . . . . . 71 ASP H . 52238 1 156 . 1 . 1 71 71 ASP C C 13 179.6551774 0.02021653288 . . . . . . . 71 ASP C . 52238 1 157 . 1 . 1 71 71 ASP CA C 13 57.0771733 0.04314684895 . . . . . . . 71 ASP CA . 52238 1 158 . 1 . 1 71 71 ASP N N 15 119.8408242 0.07181293384 . . . . . . . 71 ASP N . 52238 1 159 . 1 . 1 72 72 LYS H H 1 7.785473848 0.002246204751 . . . . . . . 72 LYS H . 52238 1 160 . 1 . 1 72 72 LYS C C 13 179.1534512 0.004710937217 . . . . . . . 72 LYS C . 52238 1 161 . 1 . 1 72 72 LYS CA C 13 58.82085245 0.01768826408 . . . . . . . 72 LYS CA . 52238 1 162 . 1 . 1 72 72 LYS N N 15 117.87497 0.06498523629 . . . . . . . 72 LYS N . 52238 1 163 . 1 . 1 73 73 VAL H H 1 8.460769093 0.005170459329 . . . . . . . 73 VAL H . 52238 1 164 . 1 . 1 73 73 VAL C C 13 177.6242185 0.001195633779 . . . . . . . 73 VAL C . 52238 1 165 . 1 . 1 73 73 VAL CA C 13 66.14280116 0.06288520038 . . . . . . . 73 VAL CA . 52238 1 166 . 1 . 1 73 73 VAL N N 15 118.4116223 0.07746508284 . . . . . . . 73 VAL N . 52238 1 167 . 1 . 1 74 74 LEU H H 1 8.333615062 0.008137992312 . . . . . . . 74 LEU H . 52238 1 168 . 1 . 1 74 74 LEU C C 13 178.5236832 0 . . . . . . . 74 LEU C . 52238 1 169 . 1 . 1 74 74 LEU CA C 13 55.68104855 0.06754979027 . . . . . . . 74 LEU CA . 52238 1 170 . 1 . 1 74 74 LEU N N 15 115.5791508 0.05686900885 . . . . . . . 74 LEU N . 52238 1 171 . 1 . 1 75 75 ALA H H 1 7.295207928 0.003514746948 . . . . . . . 75 ALA H . 52238 1 172 . 1 . 1 75 75 ALA C C 13 178.5513262 0.004939768574 . . . . . . . 75 ALA C . 52238 1 173 . 1 . 1 75 75 ALA CA C 13 54.45883188 0.04745231501 . . . . . . . 75 ALA CA . 52238 1 174 . 1 . 1 75 75 ALA N N 15 120.7128755 0.03518249114 . . . . . . . 75 ALA N . 52238 1 175 . 1 . 1 76 76 GLY H H 1 7.578101502 0.003165946433 . . . . . . . 76 GLY H . 52238 1 176 . 1 . 1 76 76 GLY C C 13 171.7764123 0.03690703148 . . . . . . . 76 GLY C . 52238 1 177 . 1 . 1 76 76 GLY CA C 13 44.75872712 0.001469218856 . . . . . . . 76 GLY CA . 52238 1 178 . 1 . 1 76 76 GLY N N 15 103.2441573 0.0320504072 . . . . . . . 76 GLY N . 52238 1 179 . 1 . 1 77 77 TYR H H 1 7.579821103 0.005233040847 . . . . . . . 77 TYR H . 52238 1 180 . 1 . 1 77 77 TYR HA H 1 4.923208462 0.001732811183 . . . . . . . 77 TYR HA . 52238 1 181 . 1 . 1 77 77 TYR C C 13 175.885068 0 . . . . . . . 77 TYR C . 52238 1 182 . 1 . 1 77 77 TYR CA C 13 57.65600845 0.05137016273 . . . . . . . 77 TYR CA . 52238 1 183 . 1 . 1 77 77 TYR N N 15 117.8095791 0.03624072487 . . . . . . . 77 TYR N . 52238 1 184 . 1 . 1 78 78 VAL H H 1 10.4448449 0.008672770177 . . . . . . . 78 VAL H . 52238 1 185 . 1 . 1 78 78 VAL C C 13 176.5941265 0.04341472158 . . . . . . . 78 VAL C . 52238 1 186 . 1 . 1 78 78 VAL CA C 13 63.20952514 0.05758489369 . . . . . . . 78 VAL CA . 52238 1 187 . 1 . 1 78 78 VAL N N 15 125.7712711 0.04576501686 . . . . . . . 78 VAL N . 52238 1 188 . 1 . 1 79 79 ASP H H 1 9.066824515 0.005770177566 . . . . . . . 79 ASP H . 52238 1 189 . 1 . 1 79 79 ASP C C 13 177.1677218 0.02240070756 . . . . . . . 79 ASP C . 52238 1 190 . 1 . 1 79 79 ASP CA C 13 54.6728372 0.021147599 . . . . . . . 79 ASP CA . 52238 1 191 . 1 . 1 79 79 ASP N N 15 124.29622 0.02602120555 . . . . . . . 79 ASP N . 52238 1 192 . 1 . 1 80 80 VAL H H 1 8.253833342 0.005774704953 . . . . . . . 80 VAL H . 52238 1 193 . 1 . 1 80 80 VAL C C 13 177.8480382 0.01437658462 . . . . . . . 80 VAL C . 52238 1 194 . 1 . 1 80 80 VAL CA C 13 65.64021323 0.05574277181 . . . . . . . 80 VAL CA . 52238 1 195 . 1 . 1 80 80 VAL N N 15 124.3010052 0.0297172322 . . . . . . . 80 VAL N . 52238 1 196 . 1 . 1 81 81 LYS H H 1 7.904068237 0.004091471843 . . . . . . . 81 LYS H . 52238 1 197 . 1 . 1 81 81 LYS C C 13 178.5599187 0.02809219201 . . . . . . . 81 LYS C . 52238 1 198 . 1 . 1 81 81 LYS CA C 13 57.81841294 0.05342334008 . . . . . . . 81 LYS CA . 52238 1 199 . 1 . 1 81 81 LYS N N 15 121.0928918 0.09588534673 . . . . . . . 81 LYS N . 52238 1 200 . 1 . 1 82 82 GLU H H 1 8.268841375 0.00957746822 . . . . . . . 82 GLU H . 52238 1 201 . 1 . 1 82 82 GLU C C 13 179.8563598 0.03361997859 . . . . . . . 82 GLU C . 52238 1 202 . 1 . 1 82 82 GLU CA C 13 58.58467137 0.0008948232654 . . . . . . . 82 GLU CA . 52238 1 203 . 1 . 1 82 82 GLU N N 15 117.9749795 0.0669209546 . . . . . . . 82 GLU N . 52238 1 204 . 1 . 1 83 83 ARG H H 1 8.581515395 0.005699140871 . . . . . . . 83 ARG H . 52238 1 205 . 1 . 1 83 83 ARG C C 13 177.2619009 0.02092872921 . . . . . . . 83 ARG C . 52238 1 206 . 1 . 1 83 83 ARG CA C 13 59.36351066 0.09755504552 . . . . . . . 83 ARG CA . 52238 1 207 . 1 . 1 83 83 ARG N N 15 119.1426874 0.01848553071 . . . . . . . 83 ARG N . 52238 1 208 . 1 . 1 84 84 GLU H H 1 7.665536332 0.006199436898 . . . . . . . 84 GLU H . 52238 1 209 . 1 . 1 84 84 GLU C C 13 179.1490191 0.0106510443 . . . . . . . 84 GLU C . 52238 1 210 . 1 . 1 84 84 GLU CA C 13 59.13490652 0.005914198067 . . . . . . . 84 GLU CA . 52238 1 211 . 1 . 1 84 84 GLU N N 15 119.3330162 0.0322062544 . . . . . . . 84 GLU N . 52238 1 212 . 1 . 1 85 85 TYR H H 1 7.810057092 0.003827611483 . . . . . . . 85 TYR H . 52238 1 213 . 1 . 1 85 85 TYR C C 13 178.6517657 0.00515153186 . . . . . . . 85 TYR C . 52238 1 214 . 1 . 1 85 85 TYR CA C 13 58.92255937 0.04383075135 . . . . . . . 85 TYR CA . 52238 1 215 . 1 . 1 85 85 TYR N N 15 118.1617156 0.03922133561 . . . . . . . 85 TYR N . 52238 1 216 . 1 . 1 86 86 ALA H H 1 7.83057732 0.001186282688 . . . . . . . 86 ALA H . 52238 1 217 . 1 . 1 86 86 ALA C C 13 179.2077979 0.00229908706 . . . . . . . 86 ALA C . 52238 1 218 . 1 . 1 86 86 ALA CA C 13 54.62613556 0.03451488683 . . . . . . . 86 ALA CA . 52238 1 219 . 1 . 1 86 86 ALA N N 15 121.6141829 0.01173690829 . . . . . . . 86 ALA N . 52238 1 220 . 1 . 1 87 87 GLU H H 1 8.377521291 0.002331324901 . . . . . . . 87 GLU H . 52238 1 221 . 1 . 1 87 87 GLU C C 13 178.6797074 0.0105179896 . . . . . . . 87 GLU C . 52238 1 222 . 1 . 1 87 87 GLU CA C 13 59.56099703 0.1106119142 . . . . . . . 87 GLU CA . 52238 1 223 . 1 . 1 87 87 GLU N N 15 117.847592 0.02449968723 . . . . . . . 87 GLU N . 52238 1 224 . 1 . 1 88 88 ASP H H 1 7.932412664 0.005553307078 . . . . . . . 88 ASP H . 52238 1 225 . 1 . 1 88 88 ASP C C 13 179.267087 0.006015546271 . . . . . . . 88 ASP C . 52238 1 226 . 1 . 1 88 88 ASP CA C 13 57.18353869 0.09575556281 . . . . . . . 88 ASP CA . 52238 1 227 . 1 . 1 88 88 ASP N N 15 119.2206486 0.0326280725 . . . . . . . 88 ASP N . 52238 1 228 . 1 . 1 89 89 ASP H H 1 7.992338966 0.006121148634 . . . . . . . 89 ASP H . 52238 1 229 . 1 . 1 89 89 ASP C C 13 179.1486256 0.007108639481 . . . . . . . 89 ASP C . 52238 1 230 . 1 . 1 89 89 ASP CA C 13 56.63470072 0 . . . . . . . 89 ASP CA . 52238 1 231 . 1 . 1 89 89 ASP N N 15 120.5149849 0.0310575894 . . . . . . . 89 ASP N . 52238 1 232 . 1 . 1 90 90 LEU H H 1 8.575901329 0.003540289583 . . . . . . . 90 LEU H . 52238 1 233 . 1 . 1 90 90 LEU C C 13 177.9952308 0.02169587162 . . . . . . . 90 LEU C . 52238 1 234 . 1 . 1 90 90 LEU CA C 13 57.08992848 0.01442246887 . . . . . . . 90 LEU CA . 52238 1 235 . 1 . 1 90 90 LEU N N 15 119.8550528 0.032854471 . . . . . . . 90 LEU N . 52238 1 236 . 1 . 1 91 91 LYS H H 1 7.918144176 0.003024008193 . . . . . . . 91 LYS H . 52238 1 237 . 1 . 1 91 91 LYS C C 13 179.3664776 0.008826148992 . . . . . . . 91 LYS C . 52238 1 238 . 1 . 1 91 91 LYS CA C 13 60.31708037 0.03884721032 . . . . . . . 91 LYS CA . 52238 1 239 . 1 . 1 91 91 LYS N N 15 117.3123562 0.03146270752 . . . . . . . 91 LYS N . 52238 1 240 . 1 . 1 92 92 GLU H H 1 7.320512817 0.004863768817 . . . . . . . 92 GLU H . 52238 1 241 . 1 . 1 92 92 GLU C C 13 179.8087661 0.0009132276899 . . . . . . . 92 GLU C . 52238 1 242 . 1 . 1 92 92 GLU CA C 13 57.96852356 0.004684935635 . . . . . . . 92 GLU CA . 52238 1 243 . 1 . 1 92 92 GLU N N 15 115.1568766 0.06832710061 . . . . . . . 92 GLU N . 52238 1 244 . 1 . 1 93 93 LEU H H 1 7.605948507 0.004224788292 . . . . . . . 93 LEU H . 52238 1 245 . 1 . 1 93 93 LEU C C 13 178.7940204 0.01425589971 . . . . . . . 93 LEU C . 52238 1 246 . 1 . 1 93 93 LEU CA C 13 57.03418514 0.007091209181 . . . . . . . 93 LEU CA . 52238 1 247 . 1 . 1 93 93 LEU N N 15 121.4202869 0.02766676586 . . . . . . . 93 LEU N . 52238 1 248 . 1 . 1 94 94 LEU H H 1 8.440150761 0.004147743794 . . . . . . . 94 LEU H . 52238 1 249 . 1 . 1 94 94 LEU C C 13 179.5839616 0.02424409472 . . . . . . . 94 LEU C . 52238 1 250 . 1 . 1 94 94 LEU CA C 13 56.95959123 0.06748643516 . . . . . . . 94 LEU CA . 52238 1 251 . 1 . 1 94 94 LEU N N 15 115.9277146 0.04500794583 . . . . . . . 94 LEU N . 52238 1 252 . 1 . 1 95 95 ASN H H 1 7.061805723 0.007697788288 . . . . . . . 95 ASN H . 52238 1 253 . 1 . 1 95 95 ASN C C 13 177.9536011 0.0177657792 . . . . . . . 95 ASN C . 52238 1 254 . 1 . 1 95 95 ASN CA C 13 54.87395134 0.002374912921 . . . . . . . 95 ASN CA . 52238 1 255 . 1 . 1 95 95 ASN N N 15 115.0514498 0.03757429677 . . . . . . . 95 ASN N . 52238 1 256 . 1 . 1 96 96 ALA H H 1 7.516176593 0.002427773576 . . . . . . . 96 ALA H . 52238 1 257 . 1 . 1 96 96 ALA C C 13 178.7240731 0.004918227435 . . . . . . . 96 ALA C . 52238 1 258 . 1 . 1 96 96 ALA CA C 13 53.69721092 0.01891097111 . . . . . . . 96 ALA CA . 52238 1 259 . 1 . 1 96 96 ALA N N 15 123.1274866 0.07840252748 . . . . . . . 96 ALA N . 52238 1 260 . 1 . 1 97 97 LEU H H 1 7.086981842 0.001979119294 . . . . . . . 97 LEU H . 52238 1 261 . 1 . 1 97 97 LEU C C 13 177.7183295 0.00764589528 . . . . . . . 97 LEU C . 52238 1 262 . 1 . 1 97 97 LEU CA C 13 56.41128253 0.0232577084 . . . . . . . 97 LEU CA . 52238 1 263 . 1 . 1 97 97 LEU N N 15 113.3033133 0.03527514233 . . . . . . . 97 LEU N . 52238 1 264 . 1 . 1 98 98 ASP H H 1 7.238547587 0.007484794927 . . . . . . . 98 ASP H . 52238 1 265 . 1 . 1 98 98 ASP C C 13 175.0839153 0.01182291509 . . . . . . . 98 ASP C . 52238 1 266 . 1 . 1 98 98 ASP CA C 13 55.16364972 0.06894302501 . . . . . . . 98 ASP CA . 52238 1 267 . 1 . 1 98 98 ASP N N 15 113.8642288 0.03862973822 . . . . . . . 98 ASP N . 52238 1 268 . 1 . 1 99 99 VAL H H 1 7.737812068 0.002413895643 . . . . . . . 99 VAL H . 52238 1 269 . 1 . 1 99 99 VAL C C 13 176.4399706 0 . . . . . . . 99 VAL C . 52238 1 270 . 1 . 1 99 99 VAL CA C 13 61.24541723 0 . . . . . . . 99 VAL CA . 52238 1 271 . 1 . 1 99 99 VAL N N 15 122.9028062 0.02316334882 . . . . . . . 99 VAL N . 52238 1 272 . 1 . 1 101 101 GLU H H 1 9.294376464 0.001402875625 . . . . . . . 101 GLU H . 52238 1 273 . 1 . 1 101 101 GLU C C 13 177.0019044 0 . . . . . . . 101 GLU C . 52238 1 274 . 1 . 1 101 101 GLU CA C 13 58.75955925 0 . . . . . . . 101 GLU CA . 52238 1 275 . 1 . 1 101 101 GLU N N 15 114.4994669 0.003475463733 . . . . . . . 101 GLU N . 52238 1 276 . 1 . 1 102 102 GLU H H 1 7.620305461 0.00681612547 . . . . . . . 102 GLU H . 52238 1 277 . 1 . 1 102 102 GLU C C 13 177.4853226 0.009410337813 . . . . . . . 102 GLU C . 52238 1 278 . 1 . 1 102 102 GLU CA C 13 55.47872292 0.05221589388 . . . . . . . 102 GLU CA . 52238 1 279 . 1 . 1 102 102 GLU N N 15 116.4998985 0.0191857587 . . . . . . . 102 GLU N . 52238 1 280 . 1 . 1 103 103 ARG H H 1 7.567298002 0.006052531362 . . . . . . . 103 ARG H . 52238 1 281 . 1 . 1 103 103 ARG C C 13 178.2032417 0 . . . . . . . 103 ARG C . 52238 1 282 . 1 . 1 103 103 ARG CA C 13 60.31289966 0 . . . . . . . 103 ARG CA . 52238 1 283 . 1 . 1 103 103 ARG N N 15 120.6072262 0.04661770822 . . . . . . . 103 ARG N . 52238 1 284 . 1 . 1 104 104 ALA C C 13 180.5274209 0 . . . . . . . 104 ALA C . 52238 1 285 . 1 . 1 104 104 ALA CA C 13 55.47343295 0 . . . . . . . 104 ALA CA . 52238 1 286 . 1 . 1 105 105 ASN H H 1 8.413668566 0.006826405766 . . . . . . . 105 ASN H . 52238 1 287 . 1 . 1 105 105 ASN C C 13 177.3317893 0.001173059726 . . . . . . . 105 ASN C . 52238 1 288 . 1 . 1 105 105 ASN CA C 13 55.35306946 0.07689736532 . . . . . . . 105 ASN CA . 52238 1 289 . 1 . 1 105 105 ASN N N 15 118.7876271 0.0363585725 . . . . . . . 105 ASN N . 52238 1 290 . 1 . 1 106 106 ALA H H 1 8.270769402 0.00478182952 . . . . . . . 106 ALA H . 52238 1 291 . 1 . 1 106 106 ALA C C 13 179.4977749 0.02088947859 . . . . . . . 106 ALA C . 52238 1 292 . 1 . 1 106 106 ALA CA C 13 54.72641424 0.04111825303 . . . . . . . 106 ALA CA . 52238 1 293 . 1 . 1 106 106 ALA N N 15 121.5037332 0.04216534591 . . . . . . . 106 ALA N . 52238 1 294 . 1 . 1 107 107 THR H H 1 8.058177458 0.003796902406 . . . . . . . 107 THR H . 52238 1 295 . 1 . 1 107 107 THR C C 13 175.1158425 0 . . . . . . . 107 THR C . 52238 1 296 . 1 . 1 107 107 THR CA C 13 68.06966627 0 . . . . . . . 107 THR CA . 52238 1 297 . 1 . 1 107 107 THR N N 15 113.460287 0.04999896359 . . . . . . . 107 THR N . 52238 1 298 . 1 . 1 108 108 GLU H H 1 7.254301501 0.00191018914 . . . . . . . 108 GLU H . 52238 1 299 . 1 . 1 108 108 GLU C C 13 179.0500641 0 . . . . . . . 108 GLU C . 52238 1 300 . 1 . 1 108 108 GLU CA C 13 59.18275986 0.05846026045 . . . . . . . 108 GLU CA . 52238 1 301 . 1 . 1 108 108 GLU N N 15 119.4856553 0.0162751448 . . . . . . . 108 GLU N . 52238 1 302 . 1 . 1 109 109 ASP H H 1 7.841086919 0.003237398286 . . . . . . . 109 ASP H . 52238 1 303 . 1 . 1 109 109 ASP C C 13 179.5386165 0.01652613591 . . . . . . . 109 ASP C . 52238 1 304 . 1 . 1 109 109 ASP CA C 13 57.3460267 0.03730592611 . . . . . . . 109 ASP CA . 52238 1 305 . 1 . 1 109 109 ASP N N 15 119.7011406 0.02604270847 . . . . . . . 109 ASP N . 52238 1 306 . 1 . 1 110 110 ILE H H 1 8.642208968 0.004478926963 . . . . . . . 110 ILE H . 52238 1 307 . 1 . 1 110 110 ILE C C 13 178.0911074 0.01416208672 . . . . . . . 110 ILE C . 52238 1 308 . 1 . 1 110 110 ILE CA C 13 66.30534985 0 . . . . . . . 110 ILE CA . 52238 1 309 . 1 . 1 110 110 ILE N N 15 123.0343078 0.04939187075 . . . . . . . 110 ILE N . 52238 1 310 . 1 . 1 111 111 LEU H H 1 8.17638596 0.005631015912 . . . . . . . 111 LEU H . 52238 1 311 . 1 . 1 111 111 LEU C C 13 179.0567402 0 . . . . . . . 111 LEU C . 52238 1 312 . 1 . 1 111 111 LEU CA C 13 57.72082608 0.05966653673 . . . . . . . 111 LEU CA . 52238 1 313 . 1 . 1 111 111 LEU N N 15 119.0286801 0.04221095578 . . . . . . . 111 LEU N . 52238 1 314 . 1 . 1 112 112 ASN H H 1 7.886754498 0.003280664017 . . . . . . . 112 ASN H . 52238 1 315 . 1 . 1 112 112 ASN C C 13 178.1162182 0.02307850388 . . . . . . . 112 ASN C . 52238 1 316 . 1 . 1 112 112 ASN CA C 13 55.89110152 0.05950514672 . . . . . . . 112 ASN CA . 52238 1 317 . 1 . 1 112 112 ASN N N 15 116.0850431 0.05864800436 . . . . . . . 112 ASN N . 52238 1 318 . 1 . 1 113 113 ILE H H 1 7.884877855 0.002992021927 . . . . . . . 113 ILE H . 52238 1 319 . 1 . 1 113 113 ILE C C 13 179.832231 0.007897244056 . . . . . . . 113 ILE C . 52238 1 320 . 1 . 1 113 113 ILE CA C 13 65.52201082 0.004752516039 . . . . . . . 113 ILE CA . 52238 1 321 . 1 . 1 113 113 ILE N N 15 121.3182962 0.07446322709 . . . . . . . 113 ILE N . 52238 1 322 . 1 . 1 114 114 LEU H H 1 7.898034608 0.006547411021 . . . . . . . 114 LEU H . 52238 1 323 . 1 . 1 114 114 LEU C C 13 180.0000564 0.0447310815 . . . . . . . 114 LEU C . 52238 1 324 . 1 . 1 114 114 LEU CA C 13 59.38485824 0.07668331777 . . . . . . . 114 LEU CA . 52238 1 325 . 1 . 1 114 114 LEU N N 15 121.1522651 0.07959680067 . . . . . . . 114 LEU N . 52238 1 326 . 1 . 1 115 115 ILE H H 1 7.963924237 0.008776809236 . . . . . . . 115 ILE H . 52238 1 327 . 1 . 1 115 115 ILE C C 13 176.4926274 0.01867074866 . . . . . . . 115 ILE C . 52238 1 328 . 1 . 1 115 115 ILE CA C 13 64.36294493 0.0494040838 . . . . . . . 115 ILE CA . 52238 1 329 . 1 . 1 115 115 ILE N N 15 110.6886084 0.04017621175 . . . . . . . 115 ILE N . 52238 1 330 . 1 . 1 116 116 THR H H 1 7.433194797 0.006279447726 . . . . . . . 116 THR H . 52238 1 331 . 1 . 1 116 116 THR CA C 13 61.9768649 0.0842359501 . . . . . . . 116 THR CA . 52238 1 332 . 1 . 1 116 116 THR N N 15 112.2973674 0.01704525735 . . . . . . . 116 THR N . 52238 1 333 . 1 . 1 117 117 GLY H H 1 7.265004605 0.00544551473 . . . . . . . 117 GLY H . 52238 1 334 . 1 . 1 117 117 GLY C C 13 174.3433445 0.6233672092 . . . . . . . 117 GLY C . 52238 1 335 . 1 . 1 117 117 GLY CA C 13 45.58678026 0.03057641597 . . . . . . . 117 GLY CA . 52238 1 336 . 1 . 1 117 117 GLY N N 15 106.6420285 0.07553107167 . . . . . . . 117 GLY N . 52238 1 337 . 1 . 1 118 118 ASP H H 1 7.59417037 0.009629988998 . . . . . . . 118 ASP H . 52238 1 338 . 1 . 1 118 118 ASP C C 13 178.6417987 0.008886082636 . . . . . . . 118 ASP C . 52238 1 339 . 1 . 1 118 118 ASP CA C 13 56.63983234 0 . . . . . . . 118 ASP CA . 52238 1 340 . 1 . 1 118 118 ASP N N 15 123.8476581 0.01598696405 . . . . . . . 118 ASP N . 52238 1 341 . 1 . 1 119 119 LYS H H 1 8.298140032 0.01035823165 . . . . . . . 119 LYS H . 52238 1 342 . 1 . 1 119 119 LYS C C 13 175.7209921 0.01682640154 . . . . . . . 119 LYS C . 52238 1 343 . 1 . 1 119 119 LYS CA C 13 56.50737623 0.1900925102 . . . . . . . 119 LYS CA . 52238 1 344 . 1 . 1 119 119 LYS N N 15 118.984501 0.06091158325 . . . . . . . 119 LYS N . 52238 1 345 . 1 . 1 120 120 TYR H H 1 7.297575039 0.002256329201 . . . . . . . 120 TYR H . 52238 1 346 . 1 . 1 120 120 TYR HA H 1 4.91684421 0.003763431764 . . . . . . . 120 TYR HA . 52238 1 347 . 1 . 1 120 120 TYR HB2 H 1 3.418245938 0 . . . . . . . 120 TYR HB2 . 52238 1 348 . 1 . 1 120 120 TYR C C 13 175.2776077 0.005547314545 . . . . . . . 120 TYR C . 52238 1 349 . 1 . 1 120 120 TYR CA C 13 53.17496085 0.02794574633 . . . . . . . 120 TYR CA . 52238 1 350 . 1 . 1 120 120 TYR N N 15 114.7294445 0.04403635384 . . . . . . . 120 TYR N . 52238 1 351 . 1 . 1 121 121 LYS H H 1 6.68417714 0.003524455068 . . . . . . . 121 LYS H . 52238 1 352 . 1 . 1 121 121 LYS HA H 1 4.108495631 0.001919742204 . . . . . . . 121 LYS HA . 52238 1 353 . 1 . 1 121 121 LYS C C 13 178.9510322 0 . . . . . . . 121 LYS C . 52238 1 354 . 1 . 1 121 121 LYS CA C 13 56.19318798 0 . . . . . . . 121 LYS CA . 52238 1 355 . 1 . 1 121 121 LYS N N 15 118.7803582 0.01933252336 . . . . . . . 121 LYS N . 52238 1 356 . 1 . 1 122 122 THR H H 1 8.606323331 0.00507997279 . . . . . . . 122 THR H . 52238 1 357 . 1 . 1 122 122 THR HA H 1 4.404720638 0.0001830323744 . . . . . . . 122 THR HA . 52238 1 358 . 1 . 1 122 122 THR C C 13 173.7966497 0 . . . . . . . 122 THR C . 52238 1 359 . 1 . 1 122 122 THR CA C 13 63.0906416 0.03054516566 . . . . . . . 122 THR CA . 52238 1 360 . 1 . 1 122 122 THR N N 15 114.9574731 0.05158643698 . . . . . . . 122 THR N . 52238 1 361 . 1 . 1 123 123 ASP H H 1 8.114453641 0.006785349168 . . . . . . . 123 ASP H . 52238 1 362 . 1 . 1 123 123 ASP C C 13 175.2433942 0.02743929774 . . . . . . . 123 ASP C . 52238 1 363 . 1 . 1 123 123 ASP CA C 13 53.18750653 0.002266656754 . . . . . . . 123 ASP CA . 52238 1 364 . 1 . 1 123 123 ASP N N 15 116.2292445 0.04577719811 . . . . . . . 123 ASP N . 52238 1 365 . 1 . 1 124 124 ASN H H 1 6.769181491 0.01170445889 . . . . . . . 124 ASN H . 52238 1 366 . 1 . 1 124 124 ASN C C 13 176.0986498 0 . . . . . . . 124 ASN C . 52238 1 367 . 1 . 1 124 124 ASN CA C 13 51.20068382 0 . . . . . . . 124 ASN CA . 52238 1 368 . 1 . 1 124 124 ASN N N 15 116.7660311 0.05815466588 . . . . . . . 124 ASN N . 52238 1 369 . 1 . 1 125 125 GLU H H 1 8.368834559 0 . . . . . . . 125 GLU H . 52238 1 370 . 1 . 1 125 125 GLU C C 13 178.7497436 0 . . . . . . . 125 GLU C . 52238 1 371 . 1 . 1 125 125 GLU CA C 13 59.37017045 0 . . . . . . . 125 GLU CA . 52238 1 372 . 1 . 1 126 126 ASP H H 1 8.24980937 0.002057008282 . . . . . . . 126 ASP H . 52238 1 373 . 1 . 1 126 126 ASP C C 13 178.856706 0.03454343882 . . . . . . . 126 ASP C . 52238 1 374 . 1 . 1 126 126 ASP CA C 13 57.14908105 0.03366333204 . . . . . . . 126 ASP CA . 52238 1 375 . 1 . 1 126 126 ASP N N 15 119.5915103 0.03603049982 . . . . . . . 126 ASP N . 52238 1 376 . 1 . 1 127 127 ASN H H 1 7.859166562 0.006286384615 . . . . . . . 127 ASN H . 52238 1 377 . 1 . 1 127 127 ASN C C 13 176.4521352 0.0006372257391 . . . . . . . 127 ASN C . 52238 1 378 . 1 . 1 127 127 ASN CA C 13 53.57832231 0.05763803767 . . . . . . . 127 ASN CA . 52238 1 379 . 1 . 1 127 127 ASN N N 15 115.9981362 0.01378042868 . . . . . . . 127 ASN N . 52238 1 380 . 1 . 1 128 128 LEU H H 1 7.532905127 0.004483805307 . . . . . . . 128 LEU H . 52238 1 381 . 1 . 1 128 128 LEU C C 13 178.196321 0.0265993345 . . . . . . . 128 LEU C . 52238 1 382 . 1 . 1 128 128 LEU CA C 13 54.4092898 0.04304497869 . . . . . . . 128 LEU CA . 52238 1 383 . 1 . 1 128 128 LEU N N 15 116.1145206 0.0519612149 . . . . . . . 128 LEU N . 52238 1 384 . 1 . 1 129 129 LYS H H 1 7.172393604 0.002491528234 . . . . . . . 129 LYS H . 52238 1 385 . 1 . 1 129 129 LYS C C 13 178.288052 0.01156521532 . . . . . . . 129 LYS C . 52238 1 386 . 1 . 1 129 129 LYS CA C 13 60.16429354 0.01340046012 . . . . . . . 129 LYS CA . 52238 1 387 . 1 . 1 129 129 LYS N N 15 118.2330031 0.03104778408 . . . . . . . 129 LYS N . 52238 1 388 . 1 . 1 130 130 GLU H H 1 8.289073596 0.00896818237 . . . . . . . 130 GLU H . 52238 1 389 . 1 . 1 130 130 GLU C C 13 176.2111742 0.0005497500245 . . . . . . . 130 GLU C . 52238 1 390 . 1 . 1 130 130 GLU CA C 13 57.8076394 0.09901669113 . . . . . . . 130 GLU CA . 52238 1 391 . 1 . 1 130 130 GLU N N 15 116.3971296 0.03327307696 . . . . . . . 130 GLU N . 52238 1 392 . 1 . 1 131 131 PHE H H 1 7.532740411 0.01241085768 . . . . . . . 131 PHE H . 52238 1 393 . 1 . 1 131 131 PHE C C 13 175.8533639 0.0147510073 . . . . . . . 131 PHE C . 52238 1 394 . 1 . 1 131 131 PHE CA C 13 57.22018439 0.06024513708 . . . . . . . 131 PHE CA . 52238 1 395 . 1 . 1 131 131 PHE N N 15 115.6701648 0.1289538102 . . . . . . . 131 PHE N . 52238 1 396 . 1 . 1 132 132 LEU H H 1 7.526190643 0.003039865081 . . . . . . . 132 LEU H . 52238 1 397 . 1 . 1 132 132 LEU C C 13 177.0728504 0.03993462621 . . . . . . . 132 LEU C . 52238 1 398 . 1 . 1 132 132 LEU CA C 13 54.94366739 0.02274776025 . . . . . . . 132 LEU CA . 52238 1 399 . 1 . 1 132 132 LEU N N 15 119.9800407 0.02014515906 . . . . . . . 132 LEU N . 52238 1 400 . 1 . 1 133 133 VAL H H 1 7.666377789 0.01078746323 . . . . . . . 133 VAL H . 52238 1 401 . 1 . 1 133 133 VAL C C 13 176.0326072 0 . . . . . . . 133 VAL C . 52238 1 402 . 1 . 1 133 133 VAL CA C 13 61.86788338 0 . . . . . . . 133 VAL CA . 52238 1 403 . 1 . 1 133 133 VAL N N 15 117.9067789 0.05088591373 . . . . . . . 133 VAL N . 52238 1 404 . 1 . 1 147 147 GLU C C 13 178.9153739 0 . . . . . . . 147 GLU C . 52238 1 405 . 1 . 1 147 147 GLU CA C 13 59.51995113 0 . . . . . . . 147 GLU CA . 52238 1 406 . 1 . 1 148 148 GLN H H 1 7.781647158 0.005515206585 . . . . . . . 148 GLN H . 52238 1 407 . 1 . 1 148 148 GLN CA C 13 58.68553498 0.03969121026 . . . . . . . 148 GLN CA . 52238 1 408 . 1 . 1 148 148 GLN N N 15 118.2608171 0.03167762255 . . . . . . . 148 GLN N . 52238 1 409 . 1 . 1 149 149 LEU H H 1 8.197683343 0.007937913155 . . . . . . . 149 LEU H . 52238 1 410 . 1 . 1 149 149 LEU C C 13 178.2539436 0 . . . . . . . 149 LEU C . 52238 1 411 . 1 . 1 149 149 LEU CA C 13 57.5301728 0.0166262803 . . . . . . . 149 LEU CA . 52238 1 412 . 1 . 1 149 149 LEU N N 15 119.7544624 0.05446242309 . . . . . . . 149 LEU N . 52238 1 413 . 1 . 1 150 150 ALA H H 1 8.025498333 0.005125897441 . . . . . . . 150 ALA H . 52238 1 414 . 1 . 1 150 150 ALA C C 13 180.7167503 0.003636272003 . . . . . . . 150 ALA C . 52238 1 415 . 1 . 1 150 150 ALA CA C 13 54.92633144 0.08423763934 . . . . . . . 150 ALA CA . 52238 1 416 . 1 . 1 150 150 ALA N N 15 121.4153948 0.0577504701 . . . . . . . 150 ALA N . 52238 1 417 . 1 . 1 151 151 ILE H H 1 7.758276403 0.008939614448 . . . . . . . 151 ILE H . 52238 1 418 . 1 . 1 151 151 ILE C C 13 178.6811079 0.01432202751 . . . . . . . 151 ILE C . 52238 1 419 . 1 . 1 151 151 ILE CA C 13 64.25923025 0.004161613993 . . . . . . . 151 ILE CA . 52238 1 420 . 1 . 1 151 151 ILE N N 15 119.1575905 0.0710120915 . . . . . . . 151 ILE N . 52238 1 421 . 1 . 1 152 152 ALA H H 1 7.885065721 0.002348934872 . . . . . . . 152 ALA H . 52238 1 422 . 1 . 1 152 152 ALA C C 13 178.997747 0.01128467518 . . . . . . . 152 ALA C . 52238 1 423 . 1 . 1 152 152 ALA CA C 13 54.83584913 0.02537717611 . . . . . . . 152 ALA CA . 52238 1 424 . 1 . 1 152 152 ALA N N 15 121.9582613 0.04334322068 . . . . . . . 152 ALA N . 52238 1 425 . 1 . 1 153 153 ARG H H 1 8.480724117 0.003327147856 . . . . . . . 153 ARG H . 52238 1 426 . 1 . 1 153 153 ARG C C 13 179.7953386 0.002443255529 . . . . . . . 153 ARG C . 52238 1 427 . 1 . 1 153 153 ARG CA C 13 59.76157479 0.002891507029 . . . . . . . 153 ARG CA . 52238 1 428 . 1 . 1 153 153 ARG N N 15 116.9815195 0.01907731762 . . . . . . . 153 ARG N . 52238 1 429 . 1 . 1 154 154 ASP H H 1 8.029764562 0.006419160571 . . . . . . . 154 ASP H . 52238 1 430 . 1 . 1 154 154 ASP C C 13 179.6410494 0.02604893939 . . . . . . . 154 ASP C . 52238 1 431 . 1 . 1 154 154 ASP CA C 13 57.08252429 0.1031875089 . . . . . . . 154 ASP CA . 52238 1 432 . 1 . 1 154 154 ASP N N 15 121.668541 0.03173144234 . . . . . . . 154 ASP N . 52238 1 433 . 1 . 1 155 155 LYS H H 1 8.149609552 0.006158103942 . . . . . . . 155 LYS H . 52238 1 434 . 1 . 1 155 155 LYS C C 13 179.5242717 0.01693457032 . . . . . . . 155 LYS C . 52238 1 435 . 1 . 1 155 155 LYS CA C 13 59.05303648 0.05042081485 . . . . . . . 155 LYS CA . 52238 1 436 . 1 . 1 155 155 LYS N N 15 122.4363623 0.05066029112 . . . . . . . 155 LYS N . 52238 1 437 . 1 . 1 156 156 LEU H H 1 8.194672606 0.006438419995 . . . . . . . 156 LEU H . 52238 1 438 . 1 . 1 156 156 LEU C C 13 178.3163984 0.01138466649 . . . . . . . 156 LEU C . 52238 1 439 . 1 . 1 156 156 LEU CA C 13 57.65068906 0.1394002851 . . . . . . . 156 LEU CA . 52238 1 440 . 1 . 1 156 156 LEU N N 15 119.6793343 0.05710706547 . . . . . . . 156 LEU N . 52238 1 441 . 1 . 1 157 157 LYS H H 1 7.891081346 0.008350156804 . . . . . . . 157 LYS H . 52238 1 442 . 1 . 1 157 157 LYS C C 13 179.0171359 0 . . . . . . . 157 LYS C . 52238 1 443 . 1 . 1 157 157 LYS CA C 13 58.93194562 0.04053171814 . . . . . . . 157 LYS CA . 52238 1 444 . 1 . 1 157 157 LYS N N 15 119.1744395 0.07851548741 . . . . . . . 157 LYS N . 52238 1 445 . 1 . 1 158 158 ALA H H 1 7.92113264 0.002565848636 . . . . . . . 158 ALA H . 52238 1 446 . 1 . 1 158 158 ALA C C 13 180.5575485 0.001480324964 . . . . . . . 158 ALA C . 52238 1 447 . 1 . 1 158 158 ALA CA C 13 54.54201553 0.03650340295 . . . . . . . 158 ALA CA . 52238 1 448 . 1 . 1 158 158 ALA N N 15 121.6334697 0.05774092106 . . . . . . . 158 ALA N . 52238 1 449 . 1 . 1 159 159 GLN H H 1 8.015667688 0.006223673022 . . . . . . . 159 GLN H . 52238 1 450 . 1 . 1 159 159 GLN C C 13 178.2682885 0.02946619018 . . . . . . . 159 GLN C . 52238 1 451 . 1 . 1 159 159 GLN CA C 13 58.16537163 0.04696054115 . . . . . . . 159 GLN CA . 52238 1 452 . 1 . 1 159 159 GLN N N 15 121.0901437 0.06072330627 . . . . . . . 159 GLN N . 52238 1 453 . 1 . 1 160 160 LEU H H 1 8.15427222 0.005563459236 . . . . . . . 160 LEU H . 52238 1 454 . 1 . 1 160 160 LEU C C 13 178.0561898 0.05260375308 . . . . . . . 160 LEU C . 52238 1 455 . 1 . 1 160 160 LEU CA C 13 57.60680042 0 . . . . . . . 160 LEU CA . 52238 1 456 . 1 . 1 160 160 LEU N N 15 121.4264554 0.01989136479 . . . . . . . 160 LEU N . 52238 1 457 . 1 . 1 161 161 GLU H H 1 8.068222238 0.00708726141 . . . . . . . 161 GLU H . 52238 1 458 . 1 . 1 161 161 GLU C C 13 179.8294755 0.0117262114 . . . . . . . 161 GLU C . 52238 1 459 . 1 . 1 161 161 GLU CA C 13 59.19524902 0 . . . . . . . 161 GLU CA . 52238 1 460 . 1 . 1 161 161 GLU N N 15 117.3163647 0.03097848239 . . . . . . . 161 GLU N . 52238 1 461 . 1 . 1 162 162 THR H H 1 7.996646714 0.003382547354 . . . . . . . 162 THR H . 52238 1 462 . 1 . 1 162 162 THR C C 13 176.0580546 0 . . . . . . . 162 THR C . 52238 1 463 . 1 . 1 162 162 THR CA C 13 66.50640725 0 . . . . . . . 162 THR CA . 52238 1 464 . 1 . 1 162 162 THR N N 15 117.0165539 0.04447999405 . . . . . . . 162 THR N . 52238 1 465 . 1 . 1 163 163 GLU H H 1 8.313095095 0.002539534132 . . . . . . . 163 GLU H . 52238 1 466 . 1 . 1 163 163 GLU C C 13 179.4384375 0.01531699333 . . . . . . . 163 GLU C . 52238 1 467 . 1 . 1 163 163 GLU CA C 13 59.57694646 0.02356266908 . . . . . . . 163 GLU CA . 52238 1 468 . 1 . 1 163 163 GLU N N 15 122.2060251 0.09490571041 . . . . . . . 163 GLU N . 52238 1 469 . 1 . 1 164 164 LYS H H 1 8.739082493 0.003779772792 . . . . . . . 164 LYS H . 52238 1 470 . 1 . 1 164 164 LYS C C 13 178.1628272 0.03316606288 . . . . . . . 164 LYS C . 52238 1 471 . 1 . 1 164 164 LYS CA C 13 60.28153399 0.08754456245 . . . . . . . 164 LYS CA . 52238 1 472 . 1 . 1 164 164 LYS N N 15 119.1842981 0.07119082137 . . . . . . . 164 LYS N . 52238 1 473 . 1 . 1 165 165 GLN H H 1 7.741204246 0.005769158572 . . . . . . . 165 GLN H . 52238 1 474 . 1 . 1 165 165 GLN C C 13 179.0265245 0.02145778241 . . . . . . . 165 GLN C . 52238 1 475 . 1 . 1 165 165 GLN CA C 13 58.66771951 0 . . . . . . . 165 GLN CA . 52238 1 476 . 1 . 1 165 165 GLN N N 15 118.4737893 0.07461091871 . . . . . . . 165 GLN N . 52238 1 477 . 1 . 1 166 166 ASP H H 1 8.369795017 0.006686751369 . . . . . . . 166 ASP H . 52238 1 478 . 1 . 1 166 166 ASP C C 13 179.2239232 0.03481698086 . . . . . . . 166 ASP C . 52238 1 479 . 1 . 1 166 166 ASP CA C 13 56.85695498 0.04764847091 . . . . . . . 166 ASP CA . 52238 1 480 . 1 . 1 166 166 ASP N N 15 120.0143453 0.1037482849 . . . . . . . 166 ASP N . 52238 1 481 . 1 . 1 167 167 LEU H H 1 8.470626845 0.007128960535 . . . . . . . 167 LEU H . 52238 1 482 . 1 . 1 167 167 LEU C C 13 178.2665914 0.002669902501 . . . . . . . 167 LEU C . 52238 1 483 . 1 . 1 167 167 LEU CA C 13 57.66696149 0 . . . . . . . 167 LEU CA . 52238 1 484 . 1 . 1 167 167 LEU N N 15 120.5433459 0.05235239588 . . . . . . . 167 LEU N . 52238 1 485 . 1 . 1 168 168 GLU H H 1 8.736441241 0.004373009015 . . . . . . . 168 GLU H . 52238 1 486 . 1 . 1 168 168 GLU C C 13 179.6614087 0.00141858149 . . . . . . . 168 GLU C . 52238 1 487 . 1 . 1 168 168 GLU CA C 13 60.58424257 0.08232451821 . . . . . . . 168 GLU CA . 52238 1 488 . 1 . 1 168 168 GLU N N 15 118.6930309 0.09279177222 . . . . . . . 168 GLU N . 52238 1 489 . 1 . 1 169 169 GLU H H 1 7.948933438 0.009880429497 . . . . . . . 169 GLU H . 52238 1 490 . 1 . 1 169 169 GLU C C 13 179.6133078 0.006069675452 . . . . . . . 169 GLU C . 52238 1 491 . 1 . 1 169 169 GLU CA C 13 59.2965149 0.1082493631 . . . . . . . 169 GLU CA . 52238 1 492 . 1 . 1 169 169 GLU N N 15 119.8378904 0.04602392691 . . . . . . . 169 GLU N . 52238 1 493 . 1 . 1 170 170 LEU H H 1 7.996020466 0.007521654355 . . . . . . . 170 LEU H . 52238 1 494 . 1 . 1 170 170 LEU C C 13 179.8357925 0.003481584249 . . . . . . . 170 LEU C . 52238 1 495 . 1 . 1 170 170 LEU CA C 13 57.88821692 0.06323989003 . . . . . . . 170 LEU CA . 52238 1 496 . 1 . 1 170 170 LEU N N 15 121.1526771 0.06121564347 . . . . . . . 170 LEU N . 52238 1 497 . 1 . 1 171 171 LEU H H 1 8.741511491 0.006084953361 . . . . . . . 171 LEU H . 52238 1 498 . 1 . 1 171 171 LEU C C 13 178.4780166 0.02029531483 . . . . . . . 171 LEU C . 52238 1 499 . 1 . 1 171 171 LEU CA C 13 57.18375736 0 . . . . . . . 171 LEU CA . 52238 1 500 . 1 . 1 171 171 LEU N N 15 118.2432418 0.06283934306 . . . . . . . 171 LEU N . 52238 1 501 . 1 . 1 172 172 ALA H H 1 8.081940899 0.004675526689 . . . . . . . 172 ALA H . 52238 1 502 . 1 . 1 172 172 ALA C C 13 180.3992178 0.005469135208 . . . . . . . 172 ALA C . 52238 1 503 . 1 . 1 172 172 ALA CA C 13 54.71040543 0.07054453069 . . . . . . . 172 ALA CA . 52238 1 504 . 1 . 1 172 172 ALA N N 15 120.9464201 0.05654475589 . . . . . . . 172 ALA N . 52238 1 505 . 1 . 1 173 173 THR H H 1 7.846731805 0.006439777105 . . . . . . . 173 THR H . 52238 1 506 . 1 . 1 173 173 THR C C 13 176.3003531 0 . . . . . . . 173 THR C . 52238 1 507 . 1 . 1 173 173 THR CA C 13 65.99396324 0 . . . . . . . 173 THR CA . 52238 1 508 . 1 . 1 173 173 THR N N 15 113.9512784 0.04397607017 . . . . . . . 173 THR N . 52238 1 509 . 1 . 1 174 174 PHE H H 1 8.519260836 0.003240406002 . . . . . . . 174 PHE H . 52238 1 510 . 1 . 1 174 174 PHE C C 13 176.5823985 0.023621373 . . . . . . . 174 PHE C . 52238 1 511 . 1 . 1 174 174 PHE CA C 13 61.54558508 0.03905006465 . . . . . . . 174 PHE CA . 52238 1 512 . 1 . 1 174 174 PHE N N 15 123.5645833 0.01952111696 . . . . . . . 174 PHE N . 52238 1 513 . 1 . 1 175 175 VAL H H 1 8.518238434 0.01366622071 . . . . . . . 175 VAL H . 52238 1 514 . 1 . 1 175 175 VAL C C 13 178.4667783 0.04396500043 . . . . . . . 175 VAL C . 52238 1 515 . 1 . 1 175 175 VAL CA C 13 65.77623642 0.04632956245 . . . . . . . 175 VAL CA . 52238 1 516 . 1 . 1 175 175 VAL N N 15 116.9567482 0.02979836494 . . . . . . . 175 VAL N . 52238 1 517 . 1 . 1 176 176 ILE H H 1 7.609899931 0.004476711277 . . . . . . . 176 ILE H . 52238 1 518 . 1 . 1 176 176 ILE C C 13 178.4190449 0.05337032822 . . . . . . . 176 ILE C . 52238 1 519 . 1 . 1 176 176 ILE CA C 13 63.68752772 0.08348384208 . . . . . . . 176 ILE CA . 52238 1 520 . 1 . 1 176 176 ILE N N 15 119.6238176 0.04179266327 . . . . . . . 176 ILE N . 52238 1 521 . 1 . 1 177 177 GLY H H 1 7.851422539 0.005286768445 . . . . . . . 177 GLY H . 52238 1 522 . 1 . 1 177 177 GLY C C 13 174.8035482 0.005176267286 . . . . . . . 177 GLY C . 52238 1 523 . 1 . 1 177 177 GLY CA C 13 46.25669345 0.02991372386 . . . . . . . 177 GLY CA . 52238 1 524 . 1 . 1 177 177 GLY N N 15 107.2954457 0.029937424 . . . . . . . 177 GLY N . 52238 1 525 . 1 . 1 178 178 ASN H H 1 8.084218402 0.007781293366 . . . . . . . 178 ASN H . 52238 1 526 . 1 . 1 178 178 ASN C C 13 176.4557671 0.01482797521 . . . . . . . 178 ASN C . 52238 1 527 . 1 . 1 178 178 ASN CA C 13 54.53754106 0.008170346748 . . . . . . . 178 ASN CA . 52238 1 528 . 1 . 1 178 178 ASN N N 15 118.2724005 0.0301419146 . . . . . . . 178 ASN N . 52238 1 529 . 1 . 1 179 179 GLU H H 1 7.806001182 0.00182410147 . . . . . . . 179 GLU H . 52238 1 530 . 1 . 1 179 179 GLU C C 13 177.4741448 0.01592921397 . . . . . . . 179 GLU C . 52238 1 531 . 1 . 1 179 179 GLU CA C 13 57.45161155 0.0006866335868 . . . . . . . 179 GLU CA . 52238 1 532 . 1 . 1 179 179 GLU N N 15 119.3088923 0.02127979262 . . . . . . . 179 GLU N . 52238 1 533 . 1 . 1 180 180 ILE H H 1 7.753461716 0.001987229575 . . . . . . . 180 ILE H . 52238 1 534 . 1 . 1 180 180 ILE C C 13 177.0217749 0.02015830787 . . . . . . . 180 ILE C . 52238 1 535 . 1 . 1 180 180 ILE CA C 13 61.97980922 0.06870101503 . . . . . . . 180 ILE CA . 52238 1 536 . 1 . 1 180 180 ILE N N 15 118.9926437 0.03921293682 . . . . . . . 180 ILE N . 52238 1 537 . 1 . 1 181 181 LEU H H 1 7.984279633 0.005920939789 . . . . . . . 181 LEU H . 52238 1 538 . 1 . 1 181 181 LEU C C 13 178.1023815 0.01190338278 . . . . . . . 181 LEU C . 52238 1 539 . 1 . 1 181 181 LEU CA C 13 55.58843331 0.07832309269 . . . . . . . 181 LEU CA . 52238 1 540 . 1 . 1 181 181 LEU N N 15 123.775752 0.07006084278 . . . . . . . 181 LEU N . 52238 1 541 . 1 . 1 182 182 GLY H H 1 8.20049727 0.008038291477 . . . . . . . 182 GLY H . 52238 1 542 . 1 . 1 182 182 GLY C C 13 173.9715542 0.0005296662852 . . . . . . . 182 GLY C . 52238 1 543 . 1 . 1 182 182 GLY CA C 13 44.97903165 0.01682319614 . . . . . . . 182 GLY CA . 52238 1 544 . 1 . 1 182 182 GLY N N 15 108.2861695 0.05955279074 . . . . . . . 182 GLY N . 52238 1 545 . 1 . 1 183 183 ASP H H 1 8.08431009 0.003916190614 . . . . . . . 183 ASP H . 52238 1 546 . 1 . 1 183 183 ASP C C 13 176.8231008 0 . . . . . . . 183 ASP C . 52238 1 547 . 1 . 1 183 183 ASP CA C 13 53.92593618 0 . . . . . . . 183 ASP CA . 52238 1 548 . 1 . 1 183 183 ASP N N 15 120.7201361 0.09283088414 . . . . . . . 183 ASP N . 52238 1 549 . 1 . 1 184 184 GLU H H 1 8.485593019 0.00241335326 . . . . . . . 184 GLU H . 52238 1 550 . 1 . 1 184 184 GLU C C 13 176.4890937 0 . . . . . . . 184 GLU C . 52238 1 551 . 1 . 1 184 184 GLU CA C 13 56.83625801 0 . . . . . . . 184 GLU CA . 52238 1 552 . 1 . 1 184 184 GLU N N 15 121.1139461 0.036053859 . . . . . . . 184 GLU N . 52238 1 553 . 1 . 1 185 185 ASP H H 1 8.366264198 0.004527809654 . . . . . . . 185 ASP H . 52238 1 554 . 1 . 1 185 185 ASP C C 13 176.6467533 0.008875139546 . . . . . . . 185 ASP C . 52238 1 555 . 1 . 1 185 185 ASP CA C 13 54.11237937 0.07375771482 . . . . . . . 185 ASP CA . 52238 1 556 . 1 . 1 185 185 ASP N N 15 119.7571669 0.03110722564 . . . . . . . 185 ASP N . 52238 1 557 . 1 . 1 186 186 GLY H H 1 8.130528959 0.007329213268 . . . . . . . 186 GLY H . 52238 1 558 . 1 . 1 186 186 GLY C C 13 174.1388794 0.01062116244 . . . . . . . 186 GLY C . 52238 1 559 . 1 . 1 186 186 GLY CA C 13 44.96735013 0 . . . . . . . 186 GLY CA . 52238 1 560 . 1 . 1 186 186 GLY N N 15 108.6391925 0.04236157338 . . . . . . . 186 GLY N . 52238 1 561 . 1 . 1 187 187 GLU H H 1 8.267197 0.005179586434 . . . . . . . 187 GLU H . 52238 1 562 . 1 . 1 187 187 GLU C C 13 176.4712706 0.004318865319 . . . . . . . 187 GLU C . 52238 1 563 . 1 . 1 187 187 GLU CA C 13 56.02385145 0.06150382584 . . . . . . . 187 GLU CA . 52238 1 564 . 1 . 1 187 187 GLU N N 15 120.2089284 0.05470260505 . . . . . . . 187 GLU N . 52238 1 565 . 1 . 1 188 188 GLU H H 1 8.474742156 0.002623761786 . . . . . . . 188 GLU H . 52238 1 566 . 1 . 1 188 188 GLU C C 13 176.5384382 0.01516156275 . . . . . . . 188 GLU C . 52238 1 567 . 1 . 1 188 188 GLU CA C 13 56.54659634 0.02422688892 . . . . . . . 188 GLU CA . 52238 1 568 . 1 . 1 188 188 GLU N N 15 121.226517 0.03927372929 . . . . . . . 188 GLU N . 52238 1 569 . 1 . 1 189 189 ILE H H 1 8.082625113 0.005655025072 . . . . . . . 189 ILE H . 52238 1 570 . 1 . 1 189 189 ILE C C 13 175.2795638 0 . . . . . . . 189 ILE C . 52238 1 571 . 1 . 1 189 189 ILE CA C 13 60.57774558 0 . . . . . . . 189 ILE CA . 52238 1 572 . 1 . 1 189 189 ILE N N 15 121.4058239 0.0865958947 . . . . . . . 189 ILE N . 52238 1 573 . 1 . 1 190 190 ASP H H 1 8.274116748 0.004481003591 . . . . . . . 190 ASP H . 52238 1 574 . 1 . 1 190 190 ASP N N 15 124.1822964 0.01257966042 . . . . . . . 190 ASP N . 52238 1 575 . 1 . 1 191 191 ALA H H 1 8.496786804 0.01125243225 . . . . . . . 191 ALA H . 52238 1 576 . 1 . 1 191 191 ALA C C 13 179.4794758 0 . . . . . . . 191 ALA C . 52238 1 577 . 1 . 1 191 191 ALA CA C 13 54.04562696 0 . . . . . . . 191 ALA CA . 52238 1 578 . 1 . 1 191 191 ALA N N 15 126.4402048 0.004533838513 . . . . . . . 191 ALA N . 52238 1 579 . 1 . 1 192 192 LYS H H 1 8.281006653 0.005509245819 . . . . . . . 192 LYS H . 52238 1 580 . 1 . 1 192 192 LYS CA C 13 58.58742253 0 . . . . . . . 192 LYS CA . 52238 1 581 . 1 . 1 192 192 LYS N N 15 117.8840739 0.01761500255 . . . . . . . 192 LYS N . 52238 1 582 . 1 . 1 193 193 GLU H H 1 8.05375564 0.004652080129 . . . . . . . 193 GLU H . 52238 1 583 . 1 . 1 193 193 GLU C C 13 179.8721034 0.0923422509 . . . . . . . 193 GLU C . 52238 1 584 . 1 . 1 193 193 GLU CA C 13 58.23077808 0.07943194077 . . . . . . . 193 GLU CA . 52238 1 585 . 1 . 1 193 193 GLU N N 15 120.0632228 0.04936050106 . . . . . . . 193 GLU N . 52238 1 586 . 1 . 1 194 194 LEU H H 1 7.901558256 0.004317286389 . . . . . . . 194 LEU H . 52238 1 587 . 1 . 1 194 194 LEU C C 13 179.1211028 0.00441687915 . . . . . . . 194 LEU C . 52238 1 588 . 1 . 1 194 194 LEU CA C 13 57.53452045 0.03987776258 . . . . . . . 194 LEU CA . 52238 1 589 . 1 . 1 194 194 LEU N N 15 121.0519555 0.0712887924 . . . . . . . 194 LEU N . 52238 1 590 . 1 . 1 195 195 ASP H H 1 8.091395297 0.004436839547 . . . . . . . 195 ASP H . 52238 1 591 . 1 . 1 195 195 ASP C C 13 179.5518955 0.03675006963 . . . . . . . 195 ASP C . 52238 1 592 . 1 . 1 195 195 ASP CA C 13 57.23757908 0.09759500131 . . . . . . . 195 ASP CA . 52238 1 593 . 1 . 1 195 195 ASP N N 15 119.3507329 0.0113261704 . . . . . . . 195 ASP N . 52238 1 594 . 1 . 1 196 196 LYS H H 1 7.74441327 0.0102749332 . . . . . . . 196 LYS H . 52238 1 595 . 1 . 1 196 196 LYS C C 13 179.2587971 0.01017093225 . . . . . . . 196 LYS C . 52238 1 596 . 1 . 1 196 196 LYS CA C 13 59.11797175 0.02097422073 . . . . . . . 196 LYS CA . 52238 1 597 . 1 . 1 196 196 LYS N N 15 121.2314447 0.02971825552 . . . . . . . 196 LYS N . 52238 1 598 . 1 . 1 197 197 LEU H H 1 7.896990898 0.00289639481 . . . . . . . 197 LEU H . 52238 1 599 . 1 . 1 197 197 LEU C C 13 178.5763304 0.008175452272 . . . . . . . 197 LEU C . 52238 1 600 . 1 . 1 197 197 LEU CA C 13 57.59532996 0.04690521096 . . . . . . . 197 LEU CA . 52238 1 601 . 1 . 1 197 197 LEU N N 15 121.6902257 0.02775547608 . . . . . . . 197 LEU N . 52238 1 602 . 1 . 1 198 198 LYS H H 1 8.411026525 0.003374055272 . . . . . . . 198 LYS H . 52238 1 603 . 1 . 1 198 198 LYS C C 13 177.7190268 0.01835850673 . . . . . . . 198 LYS C . 52238 1 604 . 1 . 1 198 198 LYS CA C 13 60.19846742 0.01230928432 . . . . . . . 198 LYS CA . 52238 1 605 . 1 . 1 198 198 LYS N N 15 119.0083894 0.02919479211 . . . . . . . 198 LYS N . 52238 1 606 . 1 . 1 199 199 ALA H H 1 7.681669491 0.004407836297 . . . . . . . 199 ALA H . 52238 1 607 . 1 . 1 199 199 ALA C C 13 179.9591812 0.01847137925 . . . . . . . 199 ALA C . 52238 1 608 . 1 . 1 199 199 ALA CA C 13 54.58840892 0.1274085883 . . . . . . . 199 ALA CA . 52238 1 609 . 1 . 1 199 199 ALA N N 15 118.5180006 0.1229137131 . . . . . . . 199 ALA N . 52238 1 610 . 1 . 1 200 200 GLN H H 1 7.982125872 0.004143534872 . . . . . . . 200 GLN H . 52238 1 611 . 1 . 1 200 200 GLN C C 13 179.4513207 0.01759684496 . . . . . . . 200 GLN C . 52238 1 612 . 1 . 1 200 200 GLN CA C 13 58.79102823 0.03290278203 . . . . . . . 200 GLN CA . 52238 1 613 . 1 . 1 200 200 GLN N N 15 118.2863172 0.04378308982 . . . . . . . 200 GLN N . 52238 1 614 . 1 . 1 201 201 ILE H H 1 8.193485366 0.003657878655 . . . . . . . 201 ILE H . 52238 1 615 . 1 . 1 201 201 ILE C C 13 176.7212081 0.03813076266 . . . . . . . 201 ILE C . 52238 1 616 . 1 . 1 201 201 ILE CA C 13 65.66033636 0.03546836868 . . . . . . . 201 ILE CA . 52238 1 617 . 1 . 1 201 201 ILE N N 15 121.2616522 0.07116120201 . . . . . . . 201 ILE N . 52238 1 618 . 1 . 1 202 202 ILE H H 1 7.949546923 0.005709578784 . . . . . . . 202 ILE H . 52238 1 619 . 1 . 1 202 202 ILE C C 13 177.9237665 0.002112317784 . . . . . . . 202 ILE C . 52238 1 620 . 1 . 1 202 202 ILE CA C 13 65.12378397 0.03719400943 . . . . . . . 202 ILE CA . 52238 1 621 . 1 . 1 202 202 ILE N N 15 117.7588684 0.01571791658 . . . . . . . 202 ILE N . 52238 1 622 . 1 . 1 203 203 ASP H H 1 8.460091338 0.005882833804 . . . . . . . 203 ASP H . 52238 1 623 . 1 . 1 203 203 ASP C C 13 177.9945009 0.01747521571 . . . . . . . 203 ASP C . 52238 1 624 . 1 . 1 203 203 ASP CA C 13 57.46074231 0 . . . . . . . 203 ASP CA . 52238 1 625 . 1 . 1 203 203 ASP N N 15 119.3871845 0.05661592687 . . . . . . . 203 ASP N . 52238 1 626 . 1 . 1 204 204 LYS H H 1 7.803934264 0.01182347636 . . . . . . . 204 LYS H . 52238 1 627 . 1 . 1 204 204 LYS C C 13 178.4683273 0.003467516799 . . . . . . . 204 LYS C . 52238 1 628 . 1 . 1 204 204 LYS CA C 13 58.82351742 0.07484389935 . . . . . . . 204 LYS CA . 52238 1 629 . 1 . 1 204 204 LYS N N 15 119.2259019 0.04755075097 . . . . . . . 204 LYS N . 52238 1 630 . 1 . 1 205 205 ILE H H 1 7.477335491 0.0063133262 . . . . . . . 205 ILE H . 52238 1 631 . 1 . 1 205 205 ILE C C 13 178.0905141 0.02718409132 . . . . . . . 205 ILE C . 52238 1 632 . 1 . 1 205 205 ILE CA C 13 65.2521014 0.02005734875 . . . . . . . 205 ILE CA . 52238 1 633 . 1 . 1 205 205 ILE N N 15 116.1101274 0.03744339356 . . . . . . . 205 ILE N . 52238 1 634 . 1 . 1 206 206 LYS H H 1 8.804934476 0.007212445853 . . . . . . . 206 LYS H . 52238 1 635 . 1 . 1 206 206 LYS C C 13 178.3673049 0.009225257774 . . . . . . . 206 LYS C . 52238 1 636 . 1 . 1 206 206 LYS CA C 13 60.19442453 0 . . . . . . . 206 LYS CA . 52238 1 637 . 1 . 1 206 206 LYS N N 15 117.2434295 0.0765178617 . . . . . . . 206 LYS N . 52238 1 638 . 1 . 1 207 207 ASN H H 1 7.9974203 0.0064537584 . . . . . . . 207 ASN H . 52238 1 639 . 1 . 1 207 207 ASN C C 13 175.4369981 0.01996185172 . . . . . . . 207 ASN C . 52238 1 640 . 1 . 1 207 207 ASN CA C 13 54.19536895 0.0343157573 . . . . . . . 207 ASN CA . 52238 1 641 . 1 . 1 207 207 ASN N N 15 113.9109883 0.07062143102 . . . . . . . 207 ASN N . 52238 1 642 . 1 . 1 208 208 ALA H H 1 7.749408205 0.003963936799 . . . . . . . 208 ALA H . 52238 1 643 . 1 . 1 208 208 ALA C C 13 174.5908242 0.02051308329 . . . . . . . 208 ALA C . 52238 1 644 . 1 . 1 208 208 ALA CA C 13 52.20306191 0.01462148626 . . . . . . . 208 ALA CA . 52238 1 645 . 1 . 1 208 208 ALA N N 15 121.4705271 0.04489568676 . . . . . . . 208 ALA N . 52238 1 646 . 1 . 1 209 209 TYR H H 1 7.881273576 0 . . . . . . . 209 TYR H . 52238 1 647 . 1 . 1 209 209 TYR C C 13 176.5086407 0.001767120165 . . . . . . . 209 TYR C . 52238 1 648 . 1 . 1 209 209 TYR CA C 13 56.39225118 0.02502097255 . . . . . . . 209 TYR CA . 52238 1 649 . 1 . 1 209 209 TYR N N 15 116.2733461 0.07767962261 . . . . . . . 209 TYR N . 52238 1 650 . 1 . 1 210 210 THR H H 1 9.735619792 0.008903053402 . . . . . . . 210 THR H . 52238 1 651 . 1 . 1 210 210 THR C C 13 176.6854412 0 . . . . . . . 210 THR C . 52238 1 652 . 1 . 1 210 210 THR CA C 13 62.3826514 0 . . . . . . . 210 THR CA . 52238 1 653 . 1 . 1 210 210 THR N N 15 114.7175336 0.05415030714 . . . . . . . 210 THR N . 52238 1 654 . 1 . 1 211 211 GLU H H 1 8.949651015 0.004719335875 . . . . . . . 211 GLU H . 52238 1 655 . 1 . 1 211 211 GLU N N 15 120.8 0 . . . . . . . 211 GLU N . 52238 1 656 . 1 . 1 212 212 ASP H H 1 8.75066271 0.006560054935 . . . . . . . 212 ASP H . 52238 1 657 . 1 . 1 212 212 ASP C C 13 177.0950234 0 . . . . . . . 212 ASP C . 52238 1 658 . 1 . 1 212 212 ASP CA C 13 55.90071065 0 . . . . . . . 212 ASP CA . 52238 1 659 . 1 . 1 212 212 ASP N N 15 116 0 . . . . . . . 212 ASP N . 52238 1 660 . 1 . 1 213 213 LYS H H 1 7.763104234 0.00520472462 . . . . . . . 213 LYS H . 52238 1 661 . 1 . 1 213 213 LYS C C 13 177.5572959 0.002010524604 . . . . . . . 213 LYS C . 52238 1 662 . 1 . 1 213 213 LYS CA C 13 55.95161292 0.06668709897 . . . . . . . 213 LYS CA . 52238 1 663 . 1 . 1 213 213 LYS N N 15 117.3886633 0.04453346342 . . . . . . . 213 LYS N . 52238 1 664 . 1 . 1 214 214 ARG H H 1 7.464039141 0.002499960101 . . . . . . . 214 ARG H . 52238 1 665 . 1 . 1 214 214 ARG C C 13 177.4771564 0 . . . . . . . 214 ARG C . 52238 1 666 . 1 . 1 214 214 ARG CA C 13 61.18160875 0 . . . . . . . 214 ARG CA . 52238 1 667 . 1 . 1 214 214 ARG N N 15 117.5091293 0.03109098517 . . . . . . . 214 ARG N . 52238 1 668 . 1 . 1 215 215 THR C C 13 176.7493309 0 . . . . . . . 215 THR C . 52238 1 669 . 1 . 1 215 215 THR CA C 13 66.43633782 0 . . . . . . . 215 THR CA . 52238 1 670 . 1 . 1 216 216 GLU H H 1 7.984143792 0.009775007332 . . . . . . . 216 GLU H . 52238 1 671 . 1 . 1 216 216 GLU C C 13 179.0427572 0.01233966285 . . . . . . . 216 GLU C . 52238 1 672 . 1 . 1 216 216 GLU CA C 13 58.76485323 0.05366400758 . . . . . . . 216 GLU CA . 52238 1 673 . 1 . 1 216 216 GLU N N 15 122.123841 0.08988556237 . . . . . . . 216 GLU N . 52238 1 674 . 1 . 1 217 217 VAL H H 1 7.677215152 0.01207671383 . . . . . . . 217 VAL H . 52238 1 675 . 1 . 1 217 217 VAL C C 13 177.3187227 0.01657537376 . . . . . . . 217 VAL C . 52238 1 676 . 1 . 1 217 217 VAL CA C 13 65.9620828 0.01335762432 . . . . . . . 217 VAL CA . 52238 1 677 . 1 . 1 217 217 VAL N N 15 119.3241494 0.05508717304 . . . . . . . 217 VAL N . 52238 1 678 . 1 . 1 218 218 GLU H H 1 8.374470309 0.006971371302 . . . . . . . 218 GLU H . 52238 1 679 . 1 . 1 218 218 GLU C C 13 177.3743515 0.01157181924 . . . . . . . 218 GLU C . 52238 1 680 . 1 . 1 218 218 GLU CA C 13 59.85687115 0.003147666913 . . . . . . . 218 GLU CA . 52238 1 681 . 1 . 1 218 218 GLU N N 15 119.9669676 0.04488298782 . . . . . . . 218 GLU N . 52238 1 682 . 1 . 1 219 219 LYS H H 1 7.335795402 0.004168958248 . . . . . . . 219 LYS H . 52238 1 683 . 1 . 1 219 219 LYS C C 13 179.455096 0.003956975287 . . . . . . . 219 LYS C . 52238 1 684 . 1 . 1 219 219 LYS CA C 13 59.30928623 0 . . . . . . . 219 LYS CA . 52238 1 685 . 1 . 1 219 219 LYS N N 15 116.8845177 0.03210924412 . . . . . . . 219 LYS N . 52238 1 686 . 1 . 1 220 220 GLN H H 1 7.722511547 0.006557956243 . . . . . . . 220 GLN H . 52238 1 687 . 1 . 1 220 220 GLN C C 13 178.7082645 0.003205389466 . . . . . . . 220 GLN C . 52238 1 688 . 1 . 1 220 220 GLN CA C 13 57.76025549 0.01308248013 . . . . . . . 220 GLN CA . 52238 1 689 . 1 . 1 220 220 GLN N N 15 117.0462269 0.0501874148 . . . . . . . 220 GLN N . 52238 1 690 . 1 . 1 221 221 ALA H H 1 8.971835963 0.004427655633 . . . . . . . 221 ALA H . 52238 1 691 . 1 . 1 221 221 ALA C C 13 178.9316832 0.01136603934 . . . . . . . 221 ALA C . 52238 1 692 . 1 . 1 221 221 ALA CA C 13 54.6738147 0.004000003292 . . . . . . . 221 ALA CA . 52238 1 693 . 1 . 1 221 221 ALA N N 15 121.3825559 0.01899737507 . . . . . . . 221 ALA N . 52238 1 694 . 1 . 1 222 222 LYS H H 1 8.24253765 0.00567316664 . . . . . . . 222 LYS H . 52238 1 695 . 1 . 1 222 222 LYS C C 13 178.6674938 0.08179593154 . . . . . . . 222 LYS C . 52238 1 696 . 1 . 1 222 222 LYS CA C 13 60.23475269 0.03232175717 . . . . . . . 222 LYS CA . 52238 1 697 . 1 . 1 222 222 LYS N N 15 116.5954994 0.03322828183 . . . . . . . 222 LYS N . 52238 1 698 . 1 . 1 223 223 LEU H H 1 7.196369019 0.006003446996 . . . . . . . 223 LEU H . 52238 1 699 . 1 . 1 223 223 LEU C C 13 179.9203499 0.02406909199 . . . . . . . 223 LEU C . 52238 1 700 . 1 . 1 223 223 LEU CA C 13 57.55167435 0.003150820297 . . . . . . . 223 LEU CA . 52238 1 701 . 1 . 1 223 223 LEU N N 15 118.0147158 0.0703517553 . . . . . . . 223 LEU N . 52238 1 702 . 1 . 1 224 224 LEU H H 1 7.545046416 0.01052629674 . . . . . . . 224 LEU H . 52238 1 703 . 1 . 1 224 224 LEU C C 13 179.9853567 0.01463095272 . . . . . . . 224 LEU C . 52238 1 704 . 1 . 1 224 224 LEU CA C 13 57.28325145 0.1381903674 . . . . . . . 224 LEU CA . 52238 1 705 . 1 . 1 224 224 LEU N N 15 117.7941171 0.08023933326 . . . . . . . 224 LEU N . 52238 1 706 . 1 . 1 225 225 ILE H H 1 8.381447372 0.006363182887 . . . . . . . 225 ILE H . 52238 1 707 . 1 . 1 225 225 ILE C C 13 178.0325864 0.02713213245 . . . . . . . 225 ILE C . 52238 1 708 . 1 . 1 225 225 ILE CA C 13 63.9621226 0.004076821342 . . . . . . . 225 ILE CA . 52238 1 709 . 1 . 1 225 225 ILE N N 15 119.2234564 0.07750094278 . . . . . . . 225 ILE N . 52238 1 710 . 1 . 1 226 226 GLU H H 1 7.581193815 0.001289207498 . . . . . . . 226 GLU H . 52238 1 711 . 1 . 1 226 226 GLU C C 13 177.5672484 0.01414754412 . . . . . . . 226 GLU C . 52238 1 712 . 1 . 1 226 226 GLU N N 15 118.0368995 0.04370395233 . . . . . . . 226 GLU N . 52238 1 713 . 1 . 1 227 227 GLN H H 1 7.400323458 0.003809015166 . . . . . . . 227 GLN H . 52238 1 714 . 1 . 1 227 227 GLN C C 13 175.8759799 0.01388716661 . . . . . . . 227 GLN C . 52238 1 715 . 1 . 1 227 227 GLN CA C 13 55.01944693 0.006525171182 . . . . . . . 227 GLN CA . 52238 1 716 . 1 . 1 227 227 GLN N N 15 115.2959628 0.0351947492 . . . . . . . 227 GLN N . 52238 1 717 . 1 . 1 228 228 LEU H H 1 7.301941158 0.004943484028 . . . . . . . 228 LEU H . 52238 1 718 . 1 . 1 228 228 LEU C C 13 176.3927588 0.000019913 . . . . . . . 228 LEU C . 52238 1 719 . 1 . 1 228 228 LEU CA C 13 56.25032043 0.01729123664 . . . . . . . 228 LEU CA . 52238 1 720 . 1 . 1 228 228 LEU N N 15 121.2606866 0.07716821998 . . . . . . . 228 LEU N . 52238 1 721 . 1 . 1 229 229 LYS H H 1 8.220130184 0.0118450776 . . . . . . . 229 LYS H . 52238 1 722 . 1 . 1 229 229 LYS C C 13 176.0577463 0.002792634586 . . . . . . . 229 LYS C . 52238 1 723 . 1 . 1 229 229 LYS CA C 13 54.78581595 0.01810705346 . . . . . . . 229 LYS CA . 52238 1 724 . 1 . 1 229 229 LYS N N 15 122.5110961 0.1024106959 . . . . . . . 229 LYS N . 52238 1 725 . 1 . 1 230 230 ALA H H 1 8.572701601 0.01164697884 . . . . . . . 230 ALA H . 52238 1 726 . 1 . 1 230 230 ALA C C 13 178.2277634 0.01638907335 . . . . . . . 230 ALA C . 52238 1 727 . 1 . 1 230 230 ALA CA C 13 53.41243811 0.07577655582 . . . . . . . 230 ALA CA . 52238 1 728 . 1 . 1 230 230 ALA N N 15 123.6312356 0.06255306897 . . . . . . . 230 ALA N . 52238 1 729 . 1 . 1 231 231 GLU H H 1 8.672526466 0.004735438929 . . . . . . . 231 GLU H . 52238 1 730 . 1 . 1 231 231 GLU C C 13 175.5826273 0.02074123844 . . . . . . . 231 GLU C . 52238 1 731 . 1 . 1 231 231 GLU CA C 13 56.77554106 0.01820639071 . . . . . . . 231 GLU CA . 52238 1 732 . 1 . 1 231 231 GLU N N 15 114.6494511 0.05031993342 . . . . . . . 231 GLU N . 52238 1 733 . 1 . 1 232 232 ASP H H 1 7.770961119 0.008438691276 . . . . . . . 232 ASP H . 52238 1 734 . 1 . 1 232 232 ASP C C 13 176.4058055 0 . . . . . . . 232 ASP C . 52238 1 735 . 1 . 1 232 232 ASP CA C 13 52.73898827 0 . . . . . . . 232 ASP CA . 52238 1 736 . 1 . 1 232 232 ASP N N 15 119.8325622 0.0359470268 . . . . . . . 232 ASP N . 52238 1 737 . 1 . 1 233 233 GLU H H 1 8.848594716 0.002613928 . . . . . . . 233 GLU H . 52238 1 738 . 1 . 1 233 233 GLU C C 13 178.3346134 0 . . . . . . . 233 GLU C . 52238 1 739 . 1 . 1 233 233 GLU CA C 13 58.3565356 0 . . . . . . . 233 GLU CA . 52238 1 740 . 1 . 1 233 233 GLU N N 15 125.7768587 0.0231413377 . . . . . . . 233 GLU N . 52238 1 741 . 1 . 1 234 234 GLU H H 1 8.562118725 0.005279457223 . . . . . . . 234 GLU H . 52238 1 742 . 1 . 1 234 234 GLU C C 13 179.1374117 0.02700837264 . . . . . . . 234 GLU C . 52238 1 743 . 1 . 1 234 234 GLU CA C 13 58.67103711 0.09274429309 . . . . . . . 234 GLU CA . 52238 1 744 . 1 . 1 234 234 GLU N N 15 120.3040851 0.05782319699 . . . . . . . 234 GLU N . 52238 1 745 . 1 . 1 235 235 THR H H 1 8.256302631 0.004571633124 . . . . . . . 235 THR H . 52238 1 746 . 1 . 1 235 235 THR C C 13 176.830232 0 . . . . . . . 235 THR C . 52238 1 747 . 1 . 1 235 235 THR CA C 13 66.36979152 0.08656275027 . . . . . . . 235 THR CA . 52238 1 748 . 1 . 1 235 235 THR N N 15 115.7429371 0.1223722169 . . . . . . . 235 THR N . 52238 1 749 . 1 . 1 236 236 THR H H 1 7.493101815 0.01330816198 . . . . . . . 236 THR H . 52238 1 750 . 1 . 1 236 236 THR C C 13 175.7867852 0 . . . . . . . 236 THR C . 52238 1 751 . 1 . 1 236 236 THR CA C 13 67.02311475 0.01444051981 . . . . . . . 236 THR CA . 52238 1 752 . 1 . 1 236 236 THR N N 15 117.1443219 0.04469752494 . . . . . . . 236 THR N . 52238 1 753 . 1 . 1 237 237 ALA H H 1 7.73550528 0.005824680099 . . . . . . . 237 ALA H . 52238 1 754 . 1 . 1 237 237 ALA C C 13 180.6831865 0.01002693575 . . . . . . . 237 ALA C . 52238 1 755 . 1 . 1 237 237 ALA CA C 13 54.77927361 0.02596054425 . . . . . . . 237 ALA CA . 52238 1 756 . 1 . 1 237 237 ALA N N 15 122.1265385 0.03391159115 . . . . . . . 237 ALA N . 52238 1 757 . 1 . 1 238 238 LYS H H 1 7.863297188 0.006992959135 . . . . . . . 238 LYS H . 52238 1 758 . 1 . 1 238 238 LYS C C 13 179.7127783 0.0005374291129 . . . . . . . 238 LYS C . 52238 1 759 . 1 . 1 238 238 LYS CA C 13 58.75793078 0.00281807638 . . . . . . . 238 LYS CA . 52238 1 760 . 1 . 1 238 238 LYS N N 15 117.4837552 0.0453981778 . . . . . . . 238 LYS N . 52238 1 761 . 1 . 1 239 239 LEU H H 1 7.685367045 0.01559569835 . . . . . . . 239 LEU H . 52238 1 762 . 1 . 1 239 239 LEU C C 13 177.7470239 0.02484645954 . . . . . . . 239 LEU C . 52238 1 763 . 1 . 1 239 239 LEU CA C 13 58.25340509 0.05184674872 . . . . . . . 239 LEU CA . 52238 1 764 . 1 . 1 239 239 LEU N N 15 120.4968869 0.01783499152 . . . . . . . 239 LEU N . 52238 1 765 . 1 . 1 240 240 VAL H H 1 7.846156124 0.008517684993 . . . . . . . 240 VAL H . 52238 1 766 . 1 . 1 240 240 VAL C C 13 178.220976 0.02561529021 . . . . . . . 240 VAL C . 52238 1 767 . 1 . 1 240 240 VAL CA C 13 66.47962027 0.03885387251 . . . . . . . 240 VAL CA . 52238 1 768 . 1 . 1 240 240 VAL N N 15 118.883916 0.04224986878 . . . . . . . 240 VAL N . 52238 1 769 . 1 . 1 241 241 GLU H H 1 8.28997312 0.004799550943 . . . . . . . 241 GLU H . 52238 1 770 . 1 . 1 241 241 GLU C C 13 178.0512392 0.03567721079 . . . . . . . 241 GLU C . 52238 1 771 . 1 . 1 241 241 GLU CA C 13 58.35362573 0.06901050086 . . . . . . . 241 GLU CA . 52238 1 772 . 1 . 1 241 241 GLU N N 15 119.4096251 0.0575773698 . . . . . . . 241 GLU N . 52238 1 773 . 1 . 1 242 242 PHE H H 1 7.827530643 0.002093256933 . . . . . . . 242 PHE H . 52238 1 774 . 1 . 1 242 242 PHE C C 13 179.9408584 0.01499177081 . . . . . . . 242 PHE C . 52238 1 775 . 1 . 1 242 242 PHE CA C 13 60.67270917 0.05522610309 . . . . . . . 242 PHE CA . 52238 1 776 . 1 . 1 242 242 PHE N N 15 117.5132434 0.06680410677 . . . . . . . 242 PHE N . 52238 1 777 . 1 . 1 243 243 LEU H H 1 7.676718408 0.005887097282 . . . . . . . 243 LEU H . 52238 1 778 . 1 . 1 243 243 LEU C C 13 177.5587061 0.04260583756 . . . . . . . 243 LEU C . 52238 1 779 . 1 . 1 243 243 LEU CA C 13 59.10069837 0.02699361027 . . . . . . . 243 LEU CA . 52238 1 780 . 1 . 1 243 243 LEU N N 15 120.4927632 0.03475482101 . . . . . . . 243 LEU N . 52238 1 781 . 1 . 1 244 244 ALA H H 1 8.039907828 0.00506965058 . . . . . . . 244 ALA H . 52238 1 782 . 1 . 1 244 244 ALA C C 13 178.6020959 0.02922534518 . . . . . . . 244 ALA C . 52238 1 783 . 1 . 1 244 244 ALA CA C 13 53.58826329 0.06110373088 . . . . . . . 244 ALA CA . 52238 1 784 . 1 . 1 244 244 ALA N N 15 118.329025 0.03925828709 . . . . . . . 244 ALA N . 52238 1 785 . 1 . 1 245 245 LYS H H 1 7.556328315 0.01072276252 . . . . . . . 245 LYS H . 52238 1 786 . 1 . 1 245 245 LYS C C 13 175.9001826 0.002306175382 . . . . . . . 245 LYS C . 52238 1 787 . 1 . 1 245 245 LYS CA C 13 55.56414134 0.07580572572 . . . . . . . 245 LYS CA . 52238 1 788 . 1 . 1 245 245 LYS N N 15 116.0202596 0.0760004459 . . . . . . . 245 LYS N . 52238 1 789 . 1 . 1 246 246 GLY H H 1 8.04291515 0.002390944887 . . . . . . . 246 GLY H . 52238 1 790 . 1 . 1 246 246 GLY C C 13 175.7623312 0.005788583139 . . . . . . . 246 GLY C . 52238 1 791 . 1 . 1 246 246 GLY CA C 13 45.50990938 0.02818257838 . . . . . . . 246 GLY CA . 52238 1 792 . 1 . 1 246 246 GLY N N 15 108.2359061 0.02928221999 . . . . . . . 246 GLY N . 52238 1 793 . 1 . 1 247 247 ASP H H 1 7.136818019 0.01419086371 . . . . . . . 247 ASP H . 52238 1 794 . 1 . 1 247 247 ASP C C 13 178.3283242 0.03294662359 . . . . . . . 247 ASP C . 52238 1 795 . 1 . 1 247 247 ASP CA C 13 56.29739301 0.02244047431 . . . . . . . 247 ASP CA . 52238 1 796 . 1 . 1 247 247 ASP N N 15 124.2283389 0.04238285151 . . . . . . . 247 ASP N . 52238 1 797 . 1 . 1 248 248 LYS H H 1 8.117995085 0.00676343494 . . . . . . . 248 LYS H . 52238 1 798 . 1 . 1 248 248 LYS C C 13 175.5650266 0.02582560114 . . . . . . . 248 LYS C . 52238 1 799 . 1 . 1 248 248 LYS CA C 13 57.0406469 0.07027756906 . . . . . . . 248 LYS CA . 52238 1 800 . 1 . 1 248 248 LYS N N 15 117.3597316 0.04963839072 . . . . . . . 248 LYS N . 52238 1 801 . 1 . 1 249 249 PHE H H 1 7.242016739 0.006679594506 . . . . . . . 249 PHE H . 52238 1 802 . 1 . 1 249 249 PHE C C 13 174.3517214 0.006676196218 . . . . . . . 249 PHE C . 52238 1 803 . 1 . 1 249 249 PHE CA C 13 56.66144616 0.05867680972 . . . . . . . 249 PHE CA . 52238 1 804 . 1 . 1 249 249 PHE N N 15 113.0875939 0.0433777386 . . . . . . . 249 PHE N . 52238 1 805 . 1 . 1 250 250 ASP H H 1 6.79319199 0.001865132274 . . . . . . . 250 ASP H . 52238 1 806 . 1 . 1 250 250 ASP C C 13 178.1056201 0.02335693289 . . . . . . . 250 ASP C . 52238 1 807 . 1 . 1 250 250 ASP CA C 13 53.25474324 0.02595622215 . . . . . . . 250 ASP CA . 52238 1 808 . 1 . 1 250 250 ASP N N 15 117.4323721 0.02987109856 . . . . . . . 250 ASP N . 52238 1 809 . 1 . 1 251 251 GLY H H 1 8.956604665 0.009843200425 . . . . . . . 251 GLY H . 52238 1 810 . 1 . 1 251 251 GLY C C 13 173.6457304 0.007235653427 . . . . . . . 251 GLY C . 52238 1 811 . 1 . 1 251 251 GLY CA C 13 45.70807541 0.02013821262 . . . . . . . 251 GLY CA . 52238 1 812 . 1 . 1 251 251 GLY N N 15 117.0337555 0.0462252234 . . . . . . . 251 GLY N . 52238 1 813 . 1 . 1 252 252 GLU H H 1 8.32967256 0.008292326777 . . . . . . . 252 GLU H . 52238 1 814 . 1 . 1 252 252 GLU C C 13 176.0485142 0.000097368 . . . . . . . 252 GLU C . 52238 1 815 . 1 . 1 252 252 GLU CA C 13 55.71574354 0.019898448 . . . . . . . 252 GLU CA . 52238 1 816 . 1 . 1 252 252 GLU N N 15 116.4351481 0.06781107073 . . . . . . . 252 GLU N . 52238 1 817 . 1 . 1 253 253 ASN H H 1 7.026104796 0.006540904276 . . . . . . . 253 ASN H . 52238 1 818 . 1 . 1 253 253 ASN C C 13 176.2819775 0 . . . . . . . 253 ASN C . 52238 1 819 . 1 . 1 253 253 ASN CA C 13 50.9474346 0 . . . . . . . 253 ASN CA . 52238 1 820 . 1 . 1 253 253 ASN N N 15 117.351769 0.03472360188 . . . . . . . 253 ASN N . 52238 1 821 . 1 . 1 254 254 MET CA C 13 56.93169874 0 . . . . . . . 254 MET CA . 52238 1 822 . 1 . 1 255 255 ALA H H 1 8.076880024 0.00382714221 . . . . . . . 255 ALA H . 52238 1 823 . 1 . 1 255 255 ALA C C 13 179.9727102 0.006756270678 . . . . . . . 255 ALA C . 52238 1 824 . 1 . 1 255 255 ALA CA C 13 54.02813838 0.06988546839 . . . . . . . 255 ALA CA . 52238 1 825 . 1 . 1 255 255 ALA N N 15 120.0434948 0.04187404374 . . . . . . . 255 ALA N . 52238 1 826 . 1 . 1 256 256 ASN H H 1 7.78351499 0.009514788362 . . . . . . . 256 ASN H . 52238 1 827 . 1 . 1 256 256 ASN C C 13 176.206588 0.02373412979 . . . . . . . 256 ASN C . 52238 1 828 . 1 . 1 256 256 ASN CA C 13 53.19451356 0.05434518707 . . . . . . . 256 ASN CA . 52238 1 829 . 1 . 1 256 256 ASN N N 15 113.1182237 0.04411521171 . . . . . . . 256 ASN N . 52238 1 830 . 1 . 1 257 257 LEU H H 1 7.641304837 0.005557193874 . . . . . . . 257 LEU H . 52238 1 831 . 1 . 1 257 257 LEU C C 13 178.3253657 0.03665220107 . . . . . . . 257 LEU C . 52238 1 832 . 1 . 1 257 257 LEU CA C 13 54.59313036 0.07765752749 . . . . . . . 257 LEU CA . 52238 1 833 . 1 . 1 257 257 LEU N N 15 116.336276 0.02424029289 . . . . . . . 257 LEU N . 52238 1 834 . 1 . 1 258 258 THR H H 1 7.386344955 0.002492826187 . . . . . . . 258 THR H . 52238 1 835 . 1 . 1 258 258 THR CA C 13 66.14013486 0 . . . . . . . 258 THR CA . 52238 1 836 . 1 . 1 258 258 THR N N 15 112.5961628 0.04213432481 . . . . . . . 258 THR N . 52238 1 837 . 1 . 1 259 259 ALA H H 1 8.128062641 0.00253412155 . . . . . . . 259 ALA H . 52238 1 838 . 1 . 1 259 259 ALA C C 13 177.7985505 0.005484280091 . . . . . . . 259 ALA C . 52238 1 839 . 1 . 1 259 259 ALA CA C 13 53.42665728 0 . . . . . . . 259 ALA CA . 52238 1 840 . 1 . 1 259 259 ALA N N 15 120.8272048 0.06755888277 . . . . . . . 259 ALA N . 52238 1 841 . 1 . 1 260 260 TYR H H 1 7.693495788 0.006748891212 . . . . . . . 260 TYR H . 52238 1 842 . 1 . 1 260 260 TYR C C 13 175.1889956 0.015961638 . . . . . . . 260 TYR C . 52238 1 843 . 1 . 1 260 260 TYR CA C 13 56.11226563 0.003923356388 . . . . . . . 260 TYR CA . 52238 1 844 . 1 . 1 260 260 TYR N N 15 114.2759477 0.03139106685 . . . . . . . 260 TYR N . 52238 1 845 . 1 . 1 261 261 LEU H H 1 7.161045956 0.002660928283 . . . . . . . 261 LEU H . 52238 1 846 . 1 . 1 261 261 LEU C C 13 174.5045795 0 . . . . . . . 261 LEU C . 52238 1 847 . 1 . 1 261 261 LEU CA C 13 52.07520842 0 . . . . . . . 261 LEU CA . 52238 1 848 . 1 . 1 261 261 LEU N N 15 121.9572 0.0190235586 . . . . . . . 261 LEU N . 52238 1 849 . 1 . 1 264 264 LEU H H 1 8.289874996 0 . . . . . . . 264 LEU H . 52238 1 850 . 1 . 1 264 264 LEU CA C 13 54.44467994 0 . . . . . . . 264 LEU CA . 52238 1 851 . 1 . 1 265 265 VAL H H 1 7.977311009 0.002927220764 . . . . . . . 265 VAL H . 52238 1 852 . 1 . 1 265 265 VAL C C 13 174.2843604 0 . . . . . . . 265 VAL C . 52238 1 853 . 1 . 1 265 265 VAL CA C 13 59.19462599 0 . . . . . . . 265 VAL CA . 52238 1 854 . 1 . 1 265 265 VAL N N 15 121.6324887 0.04999881919 . . . . . . . 265 VAL N . 52238 1 stop_ save_