data_6057 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6057 _Entry.Title ; Sequence-specific resonance assignments of the tandem SH3 domains in autoinhibitory form of p47phox ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2003-12-27 _Entry.Accession_date 2004-01-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Satoru Yuzawa . . . 6057 2 Masashi Yokochi . . . 6057 3 Yuko Fujioka . . . 6057 4 Kenji Ogura . . . 6057 5 Hideki Sumimoto . . . 6057 6 Fuyuhiko Inagaki . . . 6057 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6057 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 551 6057 '1H chemical shifts' 179 6057 '15N chemical shifts' 179 6057 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 . . 2004-06-28 . update BMRB 'citation updated' 6057 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6057 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15123602 _Citation.Full_citation . _Citation.Title ; Solution structure of the tandem SH3 domains of p47phox in an autoinhibited form. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 451 _Citation.Page_last 452 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Satoru Yuzawa . . . 6057 1 2 Kenji Ogura . . . 6057 1 3 M. Horiuchi . . . 6057 1 4 N. Suzuki . N. . 6057 1 5 Yuko Fujioka . . . 6057 1 6 M. Kataoka . . . 6057 1 7 Hideki Sumimoto . . . 6057 1 8 Fuyuhiko Inagaki . . . 6057 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID p47phox 6057 1 'SH3 domain' 6057 1 autoinhibition 6057 1 multidomain 6057 1 'NADPH oxidase' 6057 1 stop_ save_ save_ref-1 _Citation.Sf_category citations _Citation.Sf_framecode ref-1 _Citation.Entry_ID 6057 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation ; Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A. NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR. 1995 Nov;6(3):277-93. ; _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 277 _Citation.Page_last 293 _Citation.Year 1995 _Citation.Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Delaglio F. . . 6057 2 2 S. Grzesiek S. . . 6057 2 3 'G. W.' Vuister G. W. . 6057 2 4 G. Zhu G. . . 6057 2 5 J. Pfeifer J. . . 6057 2 6 A. Bax A. . . 6057 2 stop_ save_ save_ref-2 _Citation.Sf_category citations _Citation.Sf_framecode ref-2 _Citation.Entry_ID 6057 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Yokochi & Inagaki, unpublished http://fermi.pharm.hokudai.ac.jp ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_p47phox _Assembly.Sf_category assembly _Assembly.Sf_framecode system_p47phox _Assembly.Entry_ID 6057 _Assembly.ID 1 _Assembly.Name 'tandem SH3 domain in autoinhibited form of p47phox' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 21988.85 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6057 1 stop_ 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 p47phox 1 $p47phox . . . native . . . . . 6057 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1UEC . . . . . ; Neutrophil Cytosol Factor 1: p47phox, Autoinhibited tandem SH3 domain, redidues 151- 340. ; 6057 1 . GenBank AF330627.1 . . . . . 'Homo sapiens adaptor protein p47phox (NCF1) mRNA, complete cds.' 6057 1 . SWISS-PROT P14598 . . . . . ; Neutrophil cytosol factor 1 (NCF-1) (Neutrophil NADPH oxidase factor 1) (47 kDa neutrophil oxidase factor) (p47-phox) (NCF-47K) (47 kDa autosomal chronic granulomatous disease protein). ; 6057 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'tandem SH3 domain in autoinhibited form of p47phox' system 6057 1 p47phox abbreviation 6057 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'signal transduction' 6057 1 'NADPH oxidase' 6057 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p47phox _Entity.Sf_category entity _Entity.Sf_framecode p47phox _Entity.Entry_ID 6057 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p47phox _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 ; GAMDITGPIILQTYRAIADY EKTSGSEMALSTGDVVEVVE KSESGWWFCQMKAKRGWIPA SFLEPLDSPDETEDPEPNYA GEPYVAIKAYTAVEGDEVSL LEGEAVEVIHKLLDGWWVIR KDDVTGYFPSMYLQKSGQDV SQAQRQIKRGAPPRRSSIRN AHSIHQRSRKRLSQDAYRRN SVRFLQQRRRQAR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 193 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21988.85 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1NG2 . "Structure Of Autoinhibited P47phox" . . . . . 95.85 193 100.00 100.00 9.73e-132 . . . . 6057 1 2 no PDB 1OV3 . "Structure Of The P22phox-P47phox Complex" . . . . . 67.36 138 100.00 100.00 4.98e-89 . . . . 6057 1 3 no PDB 1UEC . "Crystal Structure Of Autoinhibited Form Of Tandem Sh3 Domain Of P47phox" . . . . . 100.00 193 100.00 100.00 8.25e-139 . . . . 6057 1 4 no PDB 1WLP . "Solution Structure Of The P22phox-P47phox Complex" . . . . . 70.47 138 100.00 100.00 3.12e-94 . . . . 6057 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID p47phox common 6057 1 p47phox abbreviation 6057 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 1 148 GLY . 6057 1 2 149 ALA . 6057 1 3 150 MET . 6057 1 4 151 ASP . 6057 1 5 152 ILE . 6057 1 6 153 THR . 6057 1 7 154 GLY . 6057 1 8 155 PRO . 6057 1 9 156 ILE . 6057 1 10 157 ILE . 6057 1 11 158 LEU . 6057 1 12 159 GLN . 6057 1 13 160 THR . 6057 1 14 161 TYR . 6057 1 15 162 ARG . 6057 1 16 163 ALA . 6057 1 17 164 ILE . 6057 1 18 165 ALA . 6057 1 19 166 ASP . 6057 1 20 167 TYR . 6057 1 21 168 GLU . 6057 1 22 169 LYS . 6057 1 23 170 THR . 6057 1 24 171 SER . 6057 1 25 172 GLY . 6057 1 26 173 SER . 6057 1 27 174 GLU . 6057 1 28 175 MET . 6057 1 29 176 ALA . 6057 1 30 177 LEU . 6057 1 31 178 SER . 6057 1 32 179 THR . 6057 1 33 180 GLY . 6057 1 34 181 ASP . 6057 1 35 182 VAL . 6057 1 36 183 VAL . 6057 1 37 184 GLU . 6057 1 38 185 VAL . 6057 1 39 186 VAL . 6057 1 40 187 GLU . 6057 1 41 188 LYS . 6057 1 42 189 SER . 6057 1 43 190 GLU . 6057 1 44 191 SER . 6057 1 45 192 GLY . 6057 1 46 193 TRP . 6057 1 47 194 TRP . 6057 1 48 195 PHE . 6057 1 49 196 CYS . 6057 1 50 197 GLN . 6057 1 51 198 MET . 6057 1 52 199 LYS . 6057 1 53 200 ALA . 6057 1 54 201 LYS . 6057 1 55 202 ARG . 6057 1 56 203 GLY . 6057 1 57 204 TRP . 6057 1 58 205 ILE . 6057 1 59 206 PRO . 6057 1 60 207 ALA . 6057 1 61 208 SER . 6057 1 62 209 PHE . 6057 1 63 210 LEU . 6057 1 64 211 GLU . 6057 1 65 212 PRO . 6057 1 66 213 LEU . 6057 1 67 214 ASP . 6057 1 68 215 SER . 6057 1 69 216 PRO . 6057 1 70 217 ASP . 6057 1 71 218 GLU . 6057 1 72 219 THR . 6057 1 73 220 GLU . 6057 1 74 221 ASP . 6057 1 75 222 PRO . 6057 1 76 223 GLU . 6057 1 77 224 PRO . 6057 1 78 225 ASN . 6057 1 79 226 TYR . 6057 1 80 227 ALA . 6057 1 81 228 GLY . 6057 1 82 229 GLU . 6057 1 83 230 PRO . 6057 1 84 231 TYR . 6057 1 85 232 VAL . 6057 1 86 233 ALA . 6057 1 87 234 ILE . 6057 1 88 235 LYS . 6057 1 89 236 ALA . 6057 1 90 237 TYR . 6057 1 91 238 THR . 6057 1 92 239 ALA . 6057 1 93 240 VAL . 6057 1 94 241 GLU . 6057 1 95 242 GLY . 6057 1 96 243 ASP . 6057 1 97 244 GLU . 6057 1 98 245 VAL . 6057 1 99 246 SER . 6057 1 100 247 LEU . 6057 1 101 248 LEU . 6057 1 102 249 GLU . 6057 1 103 250 GLY . 6057 1 104 251 GLU . 6057 1 105 252 ALA . 6057 1 106 253 VAL . 6057 1 107 254 GLU . 6057 1 108 255 VAL . 6057 1 109 256 ILE . 6057 1 110 257 HIS . 6057 1 111 258 LYS . 6057 1 112 259 LEU . 6057 1 113 260 LEU . 6057 1 114 261 ASP . 6057 1 115 262 GLY . 6057 1 116 263 TRP . 6057 1 117 264 TRP . 6057 1 118 265 VAL . 6057 1 119 266 ILE . 6057 1 120 267 ARG . 6057 1 121 268 LYS . 6057 1 122 269 ASP . 6057 1 123 270 ASP . 6057 1 124 271 VAL . 6057 1 125 272 THR . 6057 1 126 273 GLY . 6057 1 127 274 TYR . 6057 1 128 275 PHE . 6057 1 129 276 PRO . 6057 1 130 277 SER . 6057 1 131 278 MET . 6057 1 132 279 TYR . 6057 1 133 280 LEU . 6057 1 134 281 GLN . 6057 1 135 282 LYS . 6057 1 136 283 SER . 6057 1 137 284 GLY . 6057 1 138 285 GLN . 6057 1 139 286 ASP . 6057 1 140 287 VAL . 6057 1 141 288 SER . 6057 1 142 289 GLN . 6057 1 143 290 ALA . 6057 1 144 291 GLN . 6057 1 145 292 ARG . 6057 1 146 293 GLN . 6057 1 147 294 ILE . 6057 1 148 295 LYS . 6057 1 149 296 ARG . 6057 1 150 297 GLY . 6057 1 151 298 ALA . 6057 1 152 299 PRO . 6057 1 153 300 PRO . 6057 1 154 301 ARG . 6057 1 155 302 ARG . 6057 1 156 303 SER . 6057 1 157 304 SER . 6057 1 158 305 ILE . 6057 1 159 306 ARG . 6057 1 160 307 ASN . 6057 1 161 308 ALA . 6057 1 162 309 HIS . 6057 1 163 310 SER . 6057 1 164 311 ILE . 6057 1 165 312 HIS . 6057 1 166 313 GLN . 6057 1 167 314 ARG . 6057 1 168 315 SER . 6057 1 169 316 ARG . 6057 1 170 317 LYS . 6057 1 171 318 ARG . 6057 1 172 319 LEU . 6057 1 173 320 SER . 6057 1 174 321 GLN . 6057 1 175 322 ASP . 6057 1 176 323 ALA . 6057 1 177 324 TYR . 6057 1 178 325 ARG . 6057 1 179 326 ARG . 6057 1 180 327 ASN . 6057 1 181 328 SER . 6057 1 182 329 VAL . 6057 1 183 330 ARG . 6057 1 184 331 PHE . 6057 1 185 332 LEU . 6057 1 186 333 GLN . 6057 1 187 334 GLN . 6057 1 188 335 ARG . 6057 1 189 336 ARG . 6057 1 190 337 ARG . 6057 1 191 338 GLN . 6057 1 192 339 ALA . 6057 1 193 340 ARG . 6057 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 . GLY 1 1 6057 1 . ALA 2 2 6057 1 . MET 3 3 6057 1 . ASP 4 4 6057 1 . ILE 5 5 6057 1 . THR 6 6 6057 1 . GLY 7 7 6057 1 . PRO 8 8 6057 1 . ILE 9 9 6057 1 . ILE 10 10 6057 1 . LEU 11 11 6057 1 . GLN 12 12 6057 1 . THR 13 13 6057 1 . TYR 14 14 6057 1 . ARG 15 15 6057 1 . ALA 16 16 6057 1 . ILE 17 17 6057 1 . ALA 18 18 6057 1 . ASP 19 19 6057 1 . TYR 20 20 6057 1 . GLU 21 21 6057 1 . LYS 22 22 6057 1 . THR 23 23 6057 1 . SER 24 24 6057 1 . GLY 25 25 6057 1 . SER 26 26 6057 1 . GLU 27 27 6057 1 . MET 28 28 6057 1 . ALA 29 29 6057 1 . LEU 30 30 6057 1 . SER 31 31 6057 1 . THR 32 32 6057 1 . GLY 33 33 6057 1 . ASP 34 34 6057 1 . VAL 35 35 6057 1 . VAL 36 36 6057 1 . GLU 37 37 6057 1 . VAL 38 38 6057 1 . VAL 39 39 6057 1 . GLU 40 40 6057 1 . LYS 41 41 6057 1 . SER 42 42 6057 1 . GLU 43 43 6057 1 . SER 44 44 6057 1 . GLY 45 45 6057 1 . TRP 46 46 6057 1 . TRP 47 47 6057 1 . PHE 48 48 6057 1 . CYS 49 49 6057 1 . GLN 50 50 6057 1 . MET 51 51 6057 1 . LYS 52 52 6057 1 . ALA 53 53 6057 1 . LYS 54 54 6057 1 . ARG 55 55 6057 1 . GLY 56 56 6057 1 . TRP 57 57 6057 1 . ILE 58 58 6057 1 . PRO 59 59 6057 1 . ALA 60 60 6057 1 . SER 61 61 6057 1 . PHE 62 62 6057 1 . LEU 63 63 6057 1 . GLU 64 64 6057 1 . PRO 65 65 6057 1 . LEU 66 66 6057 1 . ASP 67 67 6057 1 . SER 68 68 6057 1 . PRO 69 69 6057 1 . ASP 70 70 6057 1 . GLU 71 71 6057 1 . THR 72 72 6057 1 . GLU 73 73 6057 1 . ASP 74 74 6057 1 . PRO 75 75 6057 1 . GLU 76 76 6057 1 . PRO 77 77 6057 1 . ASN 78 78 6057 1 . TYR 79 79 6057 1 . ALA 80 80 6057 1 . GLY 81 81 6057 1 . GLU 82 82 6057 1 . PRO 83 83 6057 1 . TYR 84 84 6057 1 . VAL 85 85 6057 1 . ALA 86 86 6057 1 . ILE 87 87 6057 1 . LYS 88 88 6057 1 . ALA 89 89 6057 1 . TYR 90 90 6057 1 . THR 91 91 6057 1 . ALA 92 92 6057 1 . VAL 93 93 6057 1 . GLU 94 94 6057 1 . GLY 95 95 6057 1 . ASP 96 96 6057 1 . GLU 97 97 6057 1 . VAL 98 98 6057 1 . SER 99 99 6057 1 . LEU 100 100 6057 1 . LEU 101 101 6057 1 . GLU 102 102 6057 1 . GLY 103 103 6057 1 . GLU 104 104 6057 1 . ALA 105 105 6057 1 . VAL 106 106 6057 1 . GLU 107 107 6057 1 . VAL 108 108 6057 1 . ILE 109 109 6057 1 . HIS 110 110 6057 1 . LYS 111 111 6057 1 . LEU 112 112 6057 1 . LEU 113 113 6057 1 . ASP 114 114 6057 1 . GLY 115 115 6057 1 . TRP 116 116 6057 1 . TRP 117 117 6057 1 . VAL 118 118 6057 1 . ILE 119 119 6057 1 . ARG 120 120 6057 1 . LYS 121 121 6057 1 . ASP 122 122 6057 1 . ASP 123 123 6057 1 . VAL 124 124 6057 1 . THR 125 125 6057 1 . GLY 126 126 6057 1 . TYR 127 127 6057 1 . PHE 128 128 6057 1 . PRO 129 129 6057 1 . SER 130 130 6057 1 . MET 131 131 6057 1 . TYR 132 132 6057 1 . LEU 133 133 6057 1 . GLN 134 134 6057 1 . LYS 135 135 6057 1 . SER 136 136 6057 1 . GLY 137 137 6057 1 . GLN 138 138 6057 1 . ASP 139 139 6057 1 . VAL 140 140 6057 1 . SER 141 141 6057 1 . GLN 142 142 6057 1 . ALA 143 143 6057 1 . GLN 144 144 6057 1 . ARG 145 145 6057 1 . GLN 146 146 6057 1 . ILE 147 147 6057 1 . LYS 148 148 6057 1 . ARG 149 149 6057 1 . GLY 150 150 6057 1 . ALA 151 151 6057 1 . PRO 152 152 6057 1 . PRO 153 153 6057 1 . ARG 154 154 6057 1 . ARG 155 155 6057 1 . SER 156 156 6057 1 . SER 157 157 6057 1 . ILE 158 158 6057 1 . ARG 159 159 6057 1 . ASN 160 160 6057 1 . ALA 161 161 6057 1 . HIS 162 162 6057 1 . SER 163 163 6057 1 . ILE 164 164 6057 1 . HIS 165 165 6057 1 . GLN 166 166 6057 1 . ARG 167 167 6057 1 . SER 168 168 6057 1 . ARG 169 169 6057 1 . LYS 170 170 6057 1 . ARG 171 171 6057 1 . LEU 172 172 6057 1 . SER 173 173 6057 1 . GLN 174 174 6057 1 . ASP 175 175 6057 1 . ALA 176 176 6057 1 . TYR 177 177 6057 1 . ARG 178 178 6057 1 . ARG 179 179 6057 1 . ASN 180 180 6057 1 . SER 181 181 6057 1 . VAL 182 182 6057 1 . ARG 183 183 6057 1 . PHE 184 184 6057 1 . LEU 185 185 6057 1 . GLN 186 186 6057 1 . GLN 187 187 6057 1 . ARG 188 188 6057 1 . ARG 189 189 6057 1 . ARG 190 190 6057 1 . GLN 191 191 6057 1 . ALA 192 192 6057 1 . ARG 193 193 6057 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6057 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $p47phox . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . cytoplasm . . . NCF-1 . . . . 6057 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 6057 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $p47phox . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 DE3 . . . . . . . . . . . plasmid . . 'pPRO EX HTb' . . . . . . 6057 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6057 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 p47phox '[U-90% 2H; U-98% 13C; U-98% 15N]' . . 1 $p47phox . . 1.0 . . mM . . . . 6057 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6057 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.05 n/a 6057 1 temperature 298 0.1 K 6057 1 'ionic strength' 0.20 . M 6057 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 6057 _Software.ID 1 _Software.Name nmrPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'raw spectral data processing' 6057 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref-1 6057 1 stop_ save_ save_Olivia _Software.Sf_category software _Software.Sf_framecode Olivia _Software.Entry_ID 6057 _Software.ID 2 _Software.Name Olivia _Software.Version . _Software.Details 'In-house developed software for automating the peak assignment process.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 6057 2 'assignment analysis' 6057 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $ref-2 6057 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6057 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVAplus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6057 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVAplus . 600 . . . 6057 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6057 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6057 1 2 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6057 1 3 HN(CA)CO . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6057 1 4 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6057 1 5 HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6057 1 6 NH(CO)CACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6057 1 7 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6057 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6057 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 6057 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6057 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6057 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6057 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6057 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA C C 13 178.0 0.14 . 1 . . . . . . . . 6057 1 2 . 1 1 2 2 ALA CA C 13 52.8 0.14 . 1 . . . . . . . . 6057 1 3 . 1 1 2 2 ALA CB C 13 18.4 0.14 . 1 . . . . . . . . 6057 1 4 . 1 1 3 3 MET H H 1 8.44 0.01 . 1 . . . . . . . . 6057 1 5 . 1 1 3 3 MET C C 13 175.9 0.14 . 1 . . . . . . . . 6057 1 6 . 1 1 3 3 MET CA C 13 54.9 0.14 . 1 . . . . . . . . 6057 1 7 . 1 1 3 3 MET CB C 13 31.8 0.14 . 1 . . . . . . . . 6057 1 8 . 1 1 3 3 MET N N 15 118.2 0.07 . 1 . . . . . . . . 6057 1 9 . 1 1 4 4 ASP H H 1 8.07 0.01 . 1 . . . . . . . . 6057 1 10 . 1 1 4 4 ASP C C 13 176.1 0.14 . 1 . . . . . . . . 6057 1 11 . 1 1 4 4 ASP CA C 13 54.1 0.14 . 1 . . . . . . . . 6057 1 12 . 1 1 4 4 ASP CB C 13 40.6 0.14 . 1 . . . . . . . . 6057 1 13 . 1 1 4 4 ASP N N 15 121.5 0.07 . 1 . . . . . . . . 6057 1 14 . 1 1 5 5 ILE H H 1 8.04 0.01 . 1 . . . . . . . . 6057 1 15 . 1 1 5 5 ILE C C 13 176.6 0.14 . 1 . . . . . . . . 6057 1 16 . 1 1 5 5 ILE CA C 13 60.8 0.14 . 1 . . . . . . . . 6057 1 17 . 1 1 5 5 ILE CB C 13 37.8 0.14 . 1 . . . . . . . . 6057 1 18 . 1 1 5 5 ILE N N 15 121.0 0.07 . 1 . . . . . . . . 6057 1 19 . 1 1 6 6 THR H H 1 8.20 0.01 . 1 . . . . . . . . 6057 1 20 . 1 1 6 6 THR C C 13 174.8 0.14 . 1 . . . . . . . . 6057 1 21 . 1 1 6 6 THR CA C 13 61.5 0.14 . 1 . . . . . . . . 6057 1 22 . 1 1 6 6 THR CB C 13 69.4 0.14 . 1 . . . . . . . . 6057 1 23 . 1 1 6 6 THR N N 15 117.9 0.07 . 1 . . . . . . . . 6057 1 24 . 1 1 7 7 GLY H H 1 8.08 0.01 . 1 . . . . . . . . 6057 1 25 . 1 1 7 7 GLY CA C 13 44.1 0.14 . 1 . . . . . . . . 6057 1 26 . 1 1 7 7 GLY N N 15 111.8 0.07 . 1 . . . . . . . . 6057 1 27 . 1 1 8 8 PRO C C 13 176.7 0.14 . 1 . . . . . . . . 6057 1 28 . 1 1 8 8 PRO CA C 13 62.5 0.14 . 1 . . . . . . . . 6057 1 29 . 1 1 8 8 PRO CB C 13 31.3 0.14 . 1 . . . . . . . . 6057 1 30 . 1 1 9 9 ILE H H 1 8.15 0.01 . 1 . . . . . . . . 6057 1 31 . 1 1 9 9 ILE C C 13 175.9 0.14 . 1 . . . . . . . . 6057 1 32 . 1 1 9 9 ILE CA C 13 60.6 0.14 . 1 . . . . . . . . 6057 1 33 . 1 1 9 9 ILE CB C 13 37.8 0.14 . 1 . . . . . . . . 6057 1 34 . 1 1 9 9 ILE N N 15 121.9 0.07 . 1 . . . . . . . . 6057 1 35 . 1 1 10 10 ILE H H 1 8.26 0.01 . 1 . . . . . . . . 6057 1 36 . 1 1 10 10 ILE C C 13 175.9 0.14 . 1 . . . . . . . . 6057 1 37 . 1 1 10 10 ILE CA C 13 60.0 0.14 . 1 . . . . . . . . 6057 1 38 . 1 1 10 10 ILE CB C 13 37.5 0.14 . 1 . . . . . . . . 6057 1 39 . 1 1 10 10 ILE N N 15 127.4 0.07 . 1 . . . . . . . . 6057 1 40 . 1 1 11 11 LEU H H 1 8.37 0.01 . 1 . . . . . . . . 6057 1 41 . 1 1 11 11 LEU C C 13 177.2 0.14 . 1 . . . . . . . . 6057 1 42 . 1 1 11 11 LEU CA C 13 53.9 0.14 . 1 . . . . . . . . 6057 1 43 . 1 1 11 11 LEU CB C 13 41.0 0.14 . 1 . . . . . . . . 6057 1 44 . 1 1 11 11 LEU N N 15 127.7 0.07 . 1 . . . . . . . . 6057 1 45 . 1 1 12 12 GLN H H 1 8.85 0.01 . 1 . . . . . . . . 6057 1 46 . 1 1 12 12 GLN C C 13 175.9 0.14 . 1 . . . . . . . . 6057 1 47 . 1 1 12 12 GLN CA C 13 55.9 0.14 . 1 . . . . . . . . 6057 1 48 . 1 1 12 12 GLN CB C 13 29.9 0.14 . 1 . . . . . . . . 6057 1 49 . 1 1 12 12 GLN N N 15 122.5 0.07 . 1 . . . . . . . . 6057 1 50 . 1 1 13 13 THR H H 1 8.29 0.01 . 1 . . . . . . . . 6057 1 51 . 1 1 13 13 THR C C 13 173.9 0.14 . 1 . . . . . . . . 6057 1 52 . 1 1 13 13 THR CA C 13 59.9 0.14 . 1 . . . . . . . . 6057 1 53 . 1 1 13 13 THR CB C 13 69.9 0.14 . 1 . . . . . . . . 6057 1 54 . 1 1 13 13 THR N N 15 114.1 0.07 . 1 . . . . . . . . 6057 1 55 . 1 1 14 14 TYR H H 1 9.21 0.01 . 1 . . . . . . . . 6057 1 56 . 1 1 14 14 TYR C C 13 173.4 0.14 . 1 . . . . . . . . 6057 1 57 . 1 1 14 14 TYR CA C 13 55.8 0.14 . 1 . . . . . . . . 6057 1 58 . 1 1 14 14 TYR CB C 13 43.4 0.14 . 1 . . . . . . . . 6057 1 59 . 1 1 14 14 TYR N N 15 127.1 0.07 . 1 . . . . . . . . 6057 1 60 . 1 1 15 15 ARG H H 1 9.54 0.01 . 1 . . . . . . . . 6057 1 61 . 1 1 15 15 ARG C C 13 175.4 0.14 . 1 . . . . . . . . 6057 1 62 . 1 1 15 15 ARG CA C 13 52.7 0.14 . 1 . . . . . . . . 6057 1 63 . 1 1 15 15 ARG CB C 13 33.4 0.14 . 1 . . . . . . . . 6057 1 64 . 1 1 15 15 ARG N N 15 118.6 0.07 . 1 . . . . . . . . 6057 1 65 . 1 1 16 16 ALA H H 1 9.09 0.01 . 1 . . . . . . . . 6057 1 66 . 1 1 16 16 ALA C C 13 179.4 0.14 . 1 . . . . . . . . 6057 1 67 . 1 1 16 16 ALA CA C 13 50.8 0.14 . 1 . . . . . . . . 6057 1 68 . 1 1 16 16 ALA CB C 13 19.5 0.14 . 1 . . . . . . . . 6057 1 69 . 1 1 16 16 ALA N N 15 126.7 0.07 . 1 . . . . . . . . 6057 1 70 . 1 1 17 17 ILE H H 1 8.67 0.01 . 1 . . . . . . . . 6057 1 71 . 1 1 17 17 ILE C C 13 174.4 0.14 . 1 . . . . . . . . 6057 1 72 . 1 1 17 17 ILE CA C 13 60.6 0.14 . 1 . . . . . . . . 6057 1 73 . 1 1 17 17 ILE CB C 13 37.5 0.14 . 1 . . . . . . . . 6057 1 74 . 1 1 17 17 ILE N N 15 117.1 0.07 . 1 . . . . . . . . 6057 1 75 . 1 1 18 18 ALA H H 1 7.71 0.01 . 1 . . . . . . . . 6057 1 76 . 1 1 18 18 ALA C C 13 174.5 0.14 . 1 . . . . . . . . 6057 1 77 . 1 1 18 18 ALA CA C 13 50.5 0.14 . 1 . . . . . . . . 6057 1 78 . 1 1 18 18 ALA CB C 13 21.4 0.14 . 1 . . . . . . . . 6057 1 79 . 1 1 18 18 ALA N N 15 121.1 0.07 . 1 . . . . . . . . 6057 1 80 . 1 1 19 19 ASP H H 1 7.87 0.01 . 1 . . . . . . . . 6057 1 81 . 1 1 19 19 ASP C C 13 174.8 0.14 . 1 . . . . . . . . 6057 1 82 . 1 1 19 19 ASP CA C 13 52.6 0.14 . 1 . . . . . . . . 6057 1 83 . 1 1 19 19 ASP CB C 13 38.0 0.14 . 1 . . . . . . . . 6057 1 84 . 1 1 19 19 ASP N N 15 114.0 0.07 . 1 . . . . . . . . 6057 1 85 . 1 1 20 20 TYR H H 1 8.93 0.01 . 1 . . . . . . . . 6057 1 86 . 1 1 20 20 TYR C C 13 174.3 0.14 . 1 . . . . . . . . 6057 1 87 . 1 1 20 20 TYR CA C 13 57.4 0.14 . 1 . . . . . . . . 6057 1 88 . 1 1 20 20 TYR CB C 13 40.8 0.14 . 1 . . . . . . . . 6057 1 89 . 1 1 20 20 TYR N N 15 124.5 0.07 . 1 . . . . . . . . 6057 1 90 . 1 1 21 21 GLU H H 1 7.54 0.01 . 1 . . . . . . . . 6057 1 91 . 1 1 21 21 GLU C C 13 174.7 0.14 . 1 . . . . . . . . 6057 1 92 . 1 1 21 21 GLU CA C 13 54.4 0.14 . 1 . . . . . . . . 6057 1 93 . 1 1 21 21 GLU CB C 13 29.4 0.14 . 1 . . . . . . . . 6057 1 94 . 1 1 21 21 GLU N N 15 127.3 0.07 . 1 . . . . . . . . 6057 1 95 . 1 1 22 22 LYS H H 1 7.79 0.01 . 1 . . . . . . . . 6057 1 96 . 1 1 22 22 LYS C C 13 177.3 0.14 . 1 . . . . . . . . 6057 1 97 . 1 1 22 22 LYS CA C 13 56.2 0.14 . 1 . . . . . . . . 6057 1 98 . 1 1 22 22 LYS CB C 13 32.4 0.14 . 1 . . . . . . . . 6057 1 99 . 1 1 22 22 LYS N N 15 121.4 0.07 . 1 . . . . . . . . 6057 1 100 . 1 1 23 23 THR H H 1 8.76 0.01 . 1 . . . . . . . . 6057 1 101 . 1 1 23 23 THR C C 13 174.4 0.14 . 1 . . . . . . . . 6057 1 102 . 1 1 23 23 THR CA C 13 61.1 0.14 . 1 . . . . . . . . 6057 1 103 . 1 1 23 23 THR CB C 13 69.9 0.14 . 1 . . . . . . . . 6057 1 104 . 1 1 23 23 THR N N 15 115.2 0.07 . 1 . . . . . . . . 6057 1 105 . 1 1 24 24 SER H H 1 7.75 0.01 . 1 . . . . . . . . 6057 1 106 . 1 1 24 24 SER CA C 13 57.9 0.14 . 1 . . . . . . . . 6057 1 107 . 1 1 24 24 SER CB C 13 64.6 0.14 . 1 . . . . . . . . 6057 1 108 . 1 1 24 24 SER N N 15 115.9 0.07 . 1 . . . . . . . . 6057 1 109 . 1 1 26 26 SER C C 13 174.8 0.14 . 1 . . . . . . . . 6057 1 110 . 1 1 26 26 SER CA C 13 58.0 0.14 . 1 . . . . . . . . 6057 1 111 . 1 1 26 26 SER CB C 13 63.6 0.14 . 1 . . . . . . . . 6057 1 112 . 1 1 27 27 GLU H H 1 7.66 0.01 . 1 . . . . . . . . 6057 1 113 . 1 1 27 27 GLU C C 13 175.2 0.14 . 1 . . . . . . . . 6057 1 114 . 1 1 27 27 GLU CA C 13 55.6 0.14 . 1 . . . . . . . . 6057 1 115 . 1 1 27 27 GLU CB C 13 31.8 0.14 . 1 . . . . . . . . 6057 1 116 . 1 1 27 27 GLU N N 15 122.0 0.07 . 1 . . . . . . . . 6057 1 117 . 1 1 28 28 MET H H 1 7.64 0.01 . 1 . . . . . . . . 6057 1 118 . 1 1 28 28 MET C C 13 172.6 0.14 . 1 . . . . . . . . 6057 1 119 . 1 1 28 28 MET CA C 13 54.4 0.14 . 1 . . . . . . . . 6057 1 120 . 1 1 28 28 MET CB C 13 35.0 0.14 . 1 . . . . . . . . 6057 1 121 . 1 1 28 28 MET N N 15 119.2 0.07 . 1 . . . . . . . . 6057 1 122 . 1 1 29 29 ALA H H 1 7.99 0.01 . 1 . . . . . . . . 6057 1 123 . 1 1 29 29 ALA C C 13 177.4 0.14 . 1 . . . . . . . . 6057 1 124 . 1 1 29 29 ALA CA C 13 50.9 0.14 . 1 . . . . . . . . 6057 1 125 . 1 1 29 29 ALA CB C 13 19.7 0.14 . 1 . . . . . . . . 6057 1 126 . 1 1 29 29 ALA N N 15 124.4 0.07 . 1 . . . . . . . . 6057 1 127 . 1 1 30 30 LEU H H 1 8.73 0.01 . 1 . . . . . . . . 6057 1 128 . 1 1 30 30 LEU C C 13 177.1 0.14 . 1 . . . . . . . . 6057 1 129 . 1 1 30 30 LEU CA C 13 53.4 0.14 . 1 . . . . . . . . 6057 1 130 . 1 1 30 30 LEU CB C 13 45.8 0.14 . 1 . . . . . . . . 6057 1 131 . 1 1 30 30 LEU N N 15 118.2 0.07 . 1 . . . . . . . . 6057 1 132 . 1 1 31 31 SER H H 1 9.09 0.01 . 1 . . . . . . . . 6057 1 133 . 1 1 31 31 SER C C 13 173.3 0.14 . 1 . . . . . . . . 6057 1 134 . 1 1 31 31 SER CA C 13 56.3 0.14 . 1 . . . . . . . . 6057 1 135 . 1 1 31 31 SER CB C 13 64.7 0.14 . 1 . . . . . . . . 6057 1 136 . 1 1 31 31 SER N N 15 120.8 0.07 . 1 . . . . . . . . 6057 1 137 . 1 1 32 32 THR H H 1 8.08 0.01 . 1 . . . . . . . . 6057 1 138 . 1 1 32 32 THR C C 13 175.7 0.14 . 1 . . . . . . . . 6057 1 139 . 1 1 32 32 THR CA C 13 64.9 0.14 . 1 . . . . . . . . 6057 1 140 . 1 1 32 32 THR CB C 13 67.9 0.14 . 1 . . . . . . . . 6057 1 141 . 1 1 32 32 THR N N 15 119.0 0.07 . 1 . . . . . . . . 6057 1 142 . 1 1 33 33 GLY H H 1 9.40 0.01 . 1 . . . . . . . . 6057 1 143 . 1 1 33 33 GLY C C 13 174.6 0.14 . 1 . . . . . . . . 6057 1 144 . 1 1 33 33 GLY CA C 13 44.6 0.14 . 1 . . . . . . . . 6057 1 145 . 1 1 33 33 GLY N N 15 117.0 0.07 . 1 . . . . . . . . 6057 1 146 . 1 1 34 34 ASP H H 1 8.50 0.01 . 1 . . . . . . . . 6057 1 147 . 1 1 34 34 ASP C C 13 175.1 0.14 . 1 . . . . . . . . 6057 1 148 . 1 1 34 34 ASP CA C 13 55.7 0.14 . 1 . . . . . . . . 6057 1 149 . 1 1 34 34 ASP CB C 13 41.3 0.14 . 1 . . . . . . . . 6057 1 150 . 1 1 34 34 ASP N N 15 123.8 0.07 . 1 . . . . . . . . 6057 1 151 . 1 1 35 35 VAL H H 1 8.03 0.01 . 1 . . . . . . . . 6057 1 152 . 1 1 35 35 VAL C C 13 176.3 0.14 . 1 . . . . . . . . 6057 1 153 . 1 1 35 35 VAL CA C 13 61.1 0.14 . 1 . . . . . . . . 6057 1 154 . 1 1 35 35 VAL CB C 13 32.1 0.14 . 1 . . . . . . . . 6057 1 155 . 1 1 35 35 VAL N N 15 120.4 0.07 . 1 . . . . . . . . 6057 1 156 . 1 1 36 36 VAL H H 1 9.14 0.01 . 1 . . . . . . . . 6057 1 157 . 1 1 36 36 VAL C C 13 174.6 0.14 . 1 . . . . . . . . 6057 1 158 . 1 1 36 36 VAL CA C 13 57.9 0.14 . 1 . . . . . . . . 6057 1 159 . 1 1 36 36 VAL CB C 13 33.9 0.14 . 1 . . . . . . . . 6057 1 160 . 1 1 36 36 VAL N N 15 119.8 0.07 . 1 . . . . . . . . 6057 1 161 . 1 1 37 37 GLU H H 1 8.81 0.01 . 1 . . . . . . . . 6057 1 162 . 1 1 37 37 GLU C C 13 176.8 0.14 . 1 . . . . . . . . 6057 1 163 . 1 1 37 37 GLU CA C 13 54.1 0.14 . 1 . . . . . . . . 6057 1 164 . 1 1 37 37 GLU CB C 13 31.0 0.14 . 1 . . . . . . . . 6057 1 165 . 1 1 37 37 GLU N N 15 120.0 0.07 . 1 . . . . . . . . 6057 1 166 . 1 1 38 38 VAL H H 1 8.85 0.01 . 1 . . . . . . . . 6057 1 167 . 1 1 38 38 VAL C C 13 174.4 0.14 . 1 . . . . . . . . 6057 1 168 . 1 1 38 38 VAL CA C 13 62.6 0.14 . 1 . . . . . . . . 6057 1 169 . 1 1 38 38 VAL CB C 13 31.0 0.14 . 1 . . . . . . . . 6057 1 170 . 1 1 38 38 VAL N N 15 125.2 0.07 . 1 . . . . . . . . 6057 1 171 . 1 1 39 39 VAL H H 1 8.69 0.01 . 1 . . . . . . . . 6057 1 172 . 1 1 39 39 VAL C C 13 176.7 0.14 . 1 . . . . . . . . 6057 1 173 . 1 1 39 39 VAL CA C 13 63.6 0.14 . 1 . . . . . . . . 6057 1 174 . 1 1 39 39 VAL CB C 13 31.5 0.14 . 1 . . . . . . . . 6057 1 175 . 1 1 39 39 VAL N N 15 129.6 0.07 . 1 . . . . . . . . 6057 1 176 . 1 1 40 40 GLU H H 1 7.91 0.01 . 1 . . . . . . . . 6057 1 177 . 1 1 40 40 GLU C C 13 175.0 0.14 . 1 . . . . . . . . 6057 1 178 . 1 1 40 40 GLU CA C 13 55.5 0.14 . 1 . . . . . . . . 6057 1 179 . 1 1 40 40 GLU CB C 13 32.8 0.14 . 1 . . . . . . . . 6057 1 180 . 1 1 40 40 GLU N N 15 118.1 0.07 . 1 . . . . . . . . 6057 1 181 . 1 1 41 41 LYS H H 1 8.48 0.01 . 1 . . . . . . . . 6057 1 182 . 1 1 41 41 LYS C C 13 175.2 0.14 . 1 . . . . . . . . 6057 1 183 . 1 1 41 41 LYS CA C 13 54.2 0.14 . 1 . . . . . . . . 6057 1 184 . 1 1 41 41 LYS CB C 13 32.2 0.14 . 1 . . . . . . . . 6057 1 185 . 1 1 41 41 LYS N N 15 127.6 0.07 . 1 . . . . . . . . 6057 1 186 . 1 1 42 42 SER H H 1 6.49 0.01 . 1 . . . . . . . . 6057 1 187 . 1 1 42 42 SER C C 13 176.3 0.14 . 1 . . . . . . . . 6057 1 188 . 1 1 42 42 SER CA C 13 57.1 0.14 . 1 . . . . . . . . 6057 1 189 . 1 1 42 42 SER CB C 13 64.0 0.14 . 1 . . . . . . . . 6057 1 190 . 1 1 42 42 SER N N 15 114.0 0.07 . 1 . . . . . . . . 6057 1 191 . 1 1 43 43 GLU H H 1 9.20 0.01 . 1 . . . . . . . . 6057 1 192 . 1 1 43 43 GLU C C 13 176.0 0.14 . 1 . . . . . . . . 6057 1 193 . 1 1 43 43 GLU CA C 13 57.5 0.14 . 1 . . . . . . . . 6057 1 194 . 1 1 43 43 GLU CB C 13 28.3 0.14 . 1 . . . . . . . . 6057 1 195 . 1 1 43 43 GLU N N 15 126.9 0.07 . 1 . . . . . . . . 6057 1 196 . 1 1 44 44 SER H H 1 8.25 0.01 . 1 . . . . . . . . 6057 1 197 . 1 1 44 44 SER C C 13 175.2 0.14 . 1 . . . . . . . . 6057 1 198 . 1 1 44 44 SER CA C 13 59.6 0.14 . 1 . . . . . . . . 6057 1 199 . 1 1 44 44 SER CB C 13 64.7 0.14 . 1 . . . . . . . . 6057 1 200 . 1 1 44 44 SER N N 15 116.5 0.07 . 1 . . . . . . . . 6057 1 201 . 1 1 45 45 GLY H H 1 8.22 0.01 . 1 . . . . . . . . 6057 1 202 . 1 1 45 45 GLY C C 13 172.4 0.14 . 1 . . . . . . . . 6057 1 203 . 1 1 45 45 GLY CA C 13 45.1 0.14 . 1 . . . . . . . . 6057 1 204 . 1 1 45 45 GLY N N 15 109.0 0.07 . 1 . . . . . . . . 6057 1 205 . 1 1 46 46 TRP H H 1 8.10 0.01 . 1 . . . . . . . . 6057 1 206 . 1 1 46 46 TRP C C 13 174.4 0.14 . 1 . . . . . . . . 6057 1 207 . 1 1 46 46 TRP CA C 13 55.9 0.14 . 1 . . . . . . . . 6057 1 208 . 1 1 46 46 TRP CB C 13 29.4 0.14 . 1 . . . . . . . . 6057 1 209 . 1 1 46 46 TRP N N 15 122.7 0.07 . 1 . . . . . . . . 6057 1 210 . 1 1 47 47 TRP H H 1 9.63 0.01 . 1 . . . . . . . . 6057 1 211 . 1 1 47 47 TRP C C 13 175.1 0.14 . 1 . . . . . . . . 6057 1 212 . 1 1 47 47 TRP CA C 13 53.3 0.14 . 1 . . . . . . . . 6057 1 213 . 1 1 47 47 TRP CB C 13 31.4 0.14 . 1 . . . . . . . . 6057 1 214 . 1 1 47 47 TRP N N 15 124.8 0.07 . 1 . . . . . . . . 6057 1 215 . 1 1 48 48 PHE H H 1 8.79 0.01 . 1 . . . . . . . . 6057 1 216 . 1 1 48 48 PHE C C 13 175.3 0.14 . 1 . . . . . . . . 6057 1 217 . 1 1 48 48 PHE CA C 13 56.9 0.14 . 1 . . . . . . . . 6057 1 218 . 1 1 48 48 PHE CB C 13 38.4 0.14 . 1 . . . . . . . . 6057 1 219 . 1 1 48 48 PHE N N 15 127.5 0.07 . 1 . . . . . . . . 6057 1 220 . 1 1 49 49 CYS H H 1 8.32 0.01 . 1 . . . . . . . . 6057 1 221 . 1 1 49 49 CYS C C 13 170.7 0.14 . 1 . . . . . . . . 6057 1 222 . 1 1 49 49 CYS CA C 13 57.3 0.14 . 1 . . . . . . . . 6057 1 223 . 1 1 49 49 CYS CB C 13 32.8 0.14 . 1 . . . . . . . . 6057 1 224 . 1 1 49 49 CYS N N 15 125.4 0.07 . 1 . . . . . . . . 6057 1 225 . 1 1 50 50 GLN H H 1 9.16 0.01 . 1 . . . . . . . . 6057 1 226 . 1 1 50 50 GLN C C 13 173.8 0.14 . 1 . . . . . . . . 6057 1 227 . 1 1 50 50 GLN CA C 13 53.3 0.14 . 1 . . . . . . . . 6057 1 228 . 1 1 50 50 GLN CB C 13 32.3 0.14 . 1 . . . . . . . . 6057 1 229 . 1 1 50 50 GLN N N 15 117.1 0.07 . 1 . . . . . . . . 6057 1 230 . 1 1 51 51 MET H H 1 8.83 0.01 . 1 . . . . . . . . 6057 1 231 . 1 1 51 51 MET C C 13 174.9 0.14 . 1 . . . . . . . . 6057 1 232 . 1 1 51 51 MET CA C 13 55.3 0.14 . 1 . . . . . . . . 6057 1 233 . 1 1 51 51 MET CB C 13 34.5 0.14 . 1 . . . . . . . . 6057 1 234 . 1 1 51 51 MET N N 15 123.9 0.07 . 1 . . . . . . . . 6057 1 235 . 1 1 52 52 LYS H H 1 9.33 0.01 . 1 . . . . . . . . 6057 1 236 . 1 1 52 52 LYS C C 13 175.8 0.14 . 1 . . . . . . . . 6057 1 237 . 1 1 52 52 LYS CA C 13 58.3 0.14 . 1 . . . . . . . . 6057 1 238 . 1 1 52 52 LYS CB C 13 29.1 0.14 . 1 . . . . . . . . 6057 1 239 . 1 1 52 52 LYS N N 15 125.6 0.07 . 1 . . . . . . . . 6057 1 240 . 1 1 53 53 ALA H H 1 8.24 0.01 . 1 . . . . . . . . 6057 1 241 . 1 1 53 53 ALA C C 13 177.1 0.14 . 1 . . . . . . . . 6057 1 242 . 1 1 53 53 ALA CA C 13 52.6 0.14 . 1 . . . . . . . . 6057 1 243 . 1 1 53 53 ALA CB C 13 18.0 0.14 . 1 . . . . . . . . 6057 1 244 . 1 1 53 53 ALA N N 15 121.8 0.07 . 1 . . . . . . . . 6057 1 245 . 1 1 54 54 LYS H H 1 7.88 0.01 . 1 . . . . . . . . 6057 1 246 . 1 1 54 54 LYS C C 13 174.7 0.14 . 1 . . . . . . . . 6057 1 247 . 1 1 54 54 LYS CA C 13 55.1 0.14 . 1 . . . . . . . . 6057 1 248 . 1 1 54 54 LYS CB C 13 33.9 0.14 . 1 . . . . . . . . 6057 1 249 . 1 1 54 54 LYS N N 15 120.2 0.07 . 1 . . . . . . . . 6057 1 250 . 1 1 55 55 ARG H H 1 8.14 0.01 . 1 . . . . . . . . 6057 1 251 . 1 1 55 55 ARG C C 13 175.9 0.14 . 1 . . . . . . . . 6057 1 252 . 1 1 55 55 ARG CA C 13 54.4 0.14 . 1 . . . . . . . . 6057 1 253 . 1 1 55 55 ARG CB C 13 32.9 0.14 . 1 . . . . . . . . 6057 1 254 . 1 1 55 55 ARG N N 15 119.0 0.07 . 1 . . . . . . . . 6057 1 255 . 1 1 56 56 GLY H H 1 7.89 0.01 . 1 . . . . . . . . 6057 1 256 . 1 1 56 56 GLY C C 13 170.5 0.14 . 1 . . . . . . . . 6057 1 257 . 1 1 56 56 GLY CA C 13 44.9 0.14 . 1 . . . . . . . . 6057 1 258 . 1 1 56 56 GLY N N 15 106.7 0.07 . 1 . . . . . . . . 6057 1 259 . 1 1 57 57 TRP H H 1 8.66 0.01 . 1 . . . . . . . . 6057 1 260 . 1 1 57 57 TRP C C 13 176.3 0.14 . 1 . . . . . . . . 6057 1 261 . 1 1 57 57 TRP CA C 13 57.2 0.14 . 1 . . . . . . . . 6057 1 262 . 1 1 57 57 TRP CB C 13 30.5 0.14 . 1 . . . . . . . . 6057 1 263 . 1 1 57 57 TRP N N 15 121.8 0.07 . 1 . . . . . . . . 6057 1 264 . 1 1 58 58 ILE H H 1 9.50 0.01 . 1 . . . . . . . . 6057 1 265 . 1 1 58 58 ILE CA C 13 56.5 0.14 . 1 . . . . . . . . 6057 1 266 . 1 1 58 58 ILE CB C 13 41.8 0.14 . 1 . . . . . . . . 6057 1 267 . 1 1 58 58 ILE N N 15 120.1 0.07 . 1 . . . . . . . . 6057 1 268 . 1 1 59 59 PRO C C 13 177.0 0.14 . 1 . . . . . . . . 6057 1 269 . 1 1 59 59 PRO CA C 13 61.2 0.14 . 1 . . . . . . . . 6057 1 270 . 1 1 59 59 PRO CB C 13 30.0 0.14 . 1 . . . . . . . . 6057 1 271 . 1 1 60 60 ALA H H 1 8.05 0.01 . 1 . . . . . . . . 6057 1 272 . 1 1 60 60 ALA C C 13 179.3 0.14 . 1 . . . . . . . . 6057 1 273 . 1 1 60 60 ALA CA C 13 54.0 0.14 . 1 . . . . . . . . 6057 1 274 . 1 1 60 60 ALA CB C 13 16.0 0.14 . 1 . . . . . . . . 6057 1 275 . 1 1 60 60 ALA N N 15 128.8 0.07 . 1 . . . . . . . . 6057 1 276 . 1 1 61 61 SER H H 1 8.23 0.01 . 1 . . . . . . . . 6057 1 277 . 1 1 61 61 SER C C 13 175.2 0.14 . 1 . . . . . . . . 6057 1 278 . 1 1 61 61 SER CA C 13 59.1 0.14 . 1 . . . . . . . . 6057 1 279 . 1 1 61 61 SER CB C 13 62.5 0.14 . 1 . . . . . . . . 6057 1 280 . 1 1 61 61 SER N N 15 111.1 0.07 . 1 . . . . . . . . 6057 1 281 . 1 1 62 62 PHE H H 1 7.46 0.01 . 1 . . . . . . . . 6057 1 282 . 1 1 62 62 PHE C C 13 174.1 0.14 . 1 . . . . . . . . 6057 1 283 . 1 1 62 62 PHE CA C 13 59.8 0.14 . 1 . . . . . . . . 6057 1 284 . 1 1 62 62 PHE CB C 13 38.5 0.14 . 1 . . . . . . . . 6057 1 285 . 1 1 62 62 PHE N N 15 119.7 0.07 . 1 . . . . . . . . 6057 1 286 . 1 1 63 63 LEU H H 1 7.64 0.01 . 1 . . . . . . . . 6057 1 287 . 1 1 63 63 LEU C C 13 176.9 0.14 . 1 . . . . . . . . 6057 1 288 . 1 1 63 63 LEU CA C 13 52.5 0.14 . 1 . . . . . . . . 6057 1 289 . 1 1 63 63 LEU CB C 13 45.6 0.14 . 1 . . . . . . . . 6057 1 290 . 1 1 63 63 LEU N N 15 119.1 0.07 . 1 . . . . . . . . 6057 1 291 . 1 1 64 64 GLU H H 1 9.49 0.01 . 1 . . . . . . . . 6057 1 292 . 1 1 64 64 GLU CA C 13 51.8 0.14 . 1 . . . . . . . . 6057 1 293 . 1 1 64 64 GLU CB C 13 30.6 0.14 . 1 . . . . . . . . 6057 1 294 . 1 1 64 64 GLU N N 15 119.1 0.07 . 1 . . . . . . . . 6057 1 295 . 1 1 65 65 PRO C C 13 176.5 0.14 . 1 . . . . . . . . 6057 1 296 . 1 1 65 65 PRO CA C 13 61.2 0.14 . 1 . . . . . . . . 6057 1 297 . 1 1 65 65 PRO CB C 13 30.4 0.14 . 1 . . . . . . . . 6057 1 298 . 1 1 66 66 LEU H H 1 7.96 0.01 . 1 . . . . . . . . 6057 1 299 . 1 1 66 66 LEU C C 13 178.6 0.14 . 1 . . . . . . . . 6057 1 300 . 1 1 66 66 LEU CA C 13 56.2 0.14 . 1 . . . . . . . . 6057 1 301 . 1 1 66 66 LEU CB C 13 41.0 0.14 . 1 . . . . . . . . 6057 1 302 . 1 1 66 66 LEU N N 15 118.6 0.07 . 1 . . . . . . . . 6057 1 303 . 1 1 67 67 ASP H H 1 8.47 0.01 . 1 . . . . . . . . 6057 1 304 . 1 1 67 67 ASP C C 13 175.9 0.14 . 1 . . . . . . . . 6057 1 305 . 1 1 67 67 ASP CA C 13 54.9 0.14 . 1 . . . . . . . . 6057 1 306 . 1 1 67 67 ASP CB C 13 40.5 0.14 . 1 . . . . . . . . 6057 1 307 . 1 1 67 67 ASP N N 15 115.7 0.07 . 1 . . . . . . . . 6057 1 308 . 1 1 68 68 SER H H 1 7.39 0.01 . 1 . . . . . . . . 6057 1 309 . 1 1 68 68 SER CA C 13 54.7 0.14 . 1 . . . . . . . . 6057 1 310 . 1 1 68 68 SER CB C 13 64.6 0.14 . 1 . . . . . . . . 6057 1 311 . 1 1 68 68 SER N N 15 116.8 0.07 . 1 . . . . . . . . 6057 1 312 . 1 1 69 69 PRO C C 13 176.4 0.14 . 1 . . . . . . . . 6057 1 313 . 1 1 69 69 PRO CA C 13 63.0 0.14 . 1 . . . . . . . . 6057 1 314 . 1 1 69 69 PRO CB C 13 31.2 0.14 . 1 . . . . . . . . 6057 1 315 . 1 1 70 70 ASP H H 1 7.59 0.01 . 1 . . . . . . . . 6057 1 316 . 1 1 70 70 ASP C C 13 174.4 0.14 . 1 . . . . . . . . 6057 1 317 . 1 1 70 70 ASP CA C 13 54.3 0.14 . 1 . . . . . . . . 6057 1 318 . 1 1 70 70 ASP CB C 13 41.5 0.14 . 1 . . . . . . . . 6057 1 319 . 1 1 70 70 ASP N N 15 119.4 0.07 . 1 . . . . . . . . 6057 1 320 . 1 1 71 71 GLU H H 1 8.19 0.01 . 1 . . . . . . . . 6057 1 321 . 1 1 71 71 GLU C C 13 177.5 0.14 . 1 . . . . . . . . 6057 1 322 . 1 1 71 71 GLU CA C 13 54.7 0.14 . 1 . . . . . . . . 6057 1 323 . 1 1 71 71 GLU CB C 13 28.6 0.14 . 1 . . . . . . . . 6057 1 324 . 1 1 71 71 GLU N N 15 122.7 0.07 . 1 . . . . . . . . 6057 1 325 . 1 1 72 72 THR H H 1 8.37 0.01 . 1 . . . . . . . . 6057 1 326 . 1 1 72 72 THR C C 13 176.7 0.14 . 1 . . . . . . . . 6057 1 327 . 1 1 72 72 THR CA C 13 63.6 0.14 . 1 . . . . . . . . 6057 1 328 . 1 1 72 72 THR CB C 13 69.3 0.14 . 1 . . . . . . . . 6057 1 329 . 1 1 72 72 THR N N 15 120.8 0.07 . 1 . . . . . . . . 6057 1 330 . 1 1 73 73 GLU H H 1 8.72 0.01 . 1 . . . . . . . . 6057 1 331 . 1 1 73 73 GLU C C 13 176.1 0.14 . 1 . . . . . . . . 6057 1 332 . 1 1 73 73 GLU CA C 13 56.2 0.14 . 1 . . . . . . . . 6057 1 333 . 1 1 73 73 GLU CB C 13 29.5 0.14 . 1 . . . . . . . . 6057 1 334 . 1 1 73 73 GLU N N 15 119.4 0.07 . 1 . . . . . . . . 6057 1 335 . 1 1 74 74 ASP H H 1 7.22 0.01 . 1 . . . . . . . . 6057 1 336 . 1 1 74 74 ASP C C 13 175.4 0.14 . 1 . . . . . . . . 6057 1 337 . 1 1 74 74 ASP CA C 13 53.7 0.14 . 1 . . . . . . . . 6057 1 338 . 1 1 74 74 ASP CB C 13 40.0 0.14 . 1 . . . . . . . . 6057 1 339 . 1 1 74 74 ASP N N 15 122.3 0.07 . 1 . . . . . . . . 6057 1 340 . 1 1 75 75 PRO C C 13 176.1 0.14 . 1 . . . . . . . . 6057 1 341 . 1 1 75 75 PRO CA C 13 61.6 0.14 . 1 . . . . . . . . 6057 1 342 . 1 1 75 75 PRO CB C 13 31.5 0.14 . 1 . . . . . . . . 6057 1 343 . 1 1 76 76 GLU H H 1 8.36 0.01 . 1 . . . . . . . . 6057 1 344 . 1 1 76 76 GLU C C 13 175.2 0.14 . 1 . . . . . . . . 6057 1 345 . 1 1 76 76 GLU CA C 13 54.2 0.14 . 1 . . . . . . . . 6057 1 346 . 1 1 76 76 GLU CB C 13 28.3 0.14 . 1 . . . . . . . . 6057 1 347 . 1 1 76 76 GLU N N 15 119.6 0.07 . 1 . . . . . . . . 6057 1 348 . 1 1 77 77 PRO C C 13 175.3 0.14 . 1 . . . . . . . . 6057 1 349 . 1 1 77 77 PRO CA C 13 62.5 0.14 . 1 . . . . . . . . 6057 1 350 . 1 1 77 77 PRO CB C 13 30.5 0.14 . 1 . . . . . . . . 6057 1 351 . 1 1 78 78 ASN H H 1 8.55 0.01 . 1 . . . . . . . . 6057 1 352 . 1 1 78 78 ASN C C 13 175.7 0.14 . 1 . . . . . . . . 6057 1 353 . 1 1 78 78 ASN CA C 13 50.2 0.14 . 1 . . . . . . . . 6057 1 354 . 1 1 78 78 ASN CB C 13 37.7 0.14 . 1 . . . . . . . . 6057 1 355 . 1 1 78 78 ASN N N 15 120.8 0.07 . 1 . . . . . . . . 6057 1 356 . 1 1 79 79 TYR H H 1 8.13 0.01 . 1 . . . . . . . . 6057 1 357 . 1 1 79 79 TYR C C 13 175.8 0.14 . 1 . . . . . . . . 6057 1 358 . 1 1 79 79 TYR CA C 13 61.1 0.14 . 1 . . . . . . . . 6057 1 359 . 1 1 79 79 TYR CB C 13 36.9 0.14 . 1 . . . . . . . . 6057 1 360 . 1 1 79 79 TYR N N 15 120.0 0.07 . 1 . . . . . . . . 6057 1 361 . 1 1 80 80 ALA H H 1 7.41 0.01 . 1 . . . . . . . . 6057 1 362 . 1 1 80 80 ALA C C 13 179.3 0.14 . 1 . . . . . . . . 6057 1 363 . 1 1 80 80 ALA CA C 13 54.0 0.14 . 1 . . . . . . . . 6057 1 364 . 1 1 80 80 ALA CB C 13 17.4 0.14 . 1 . . . . . . . . 6057 1 365 . 1 1 80 80 ALA N N 15 121.7 0.07 . 1 . . . . . . . . 6057 1 366 . 1 1 81 81 GLY H H 1 6.72 0.01 . 1 . . . . . . . . 6057 1 367 . 1 1 81 81 GLY C C 13 172.5 0.14 . 1 . . . . . . . . 6057 1 368 . 1 1 81 81 GLY CA C 13 43.4 0.14 . 1 . . . . . . . . 6057 1 369 . 1 1 81 81 GLY N N 15 102.4 0.07 . 1 . . . . . . . . 6057 1 370 . 1 1 82 82 GLU H H 1 7.85 0.01 . 1 . . . . . . . . 6057 1 371 . 1 1 82 82 GLU C C 13 175.6 0.14 . 1 . . . . . . . . 6057 1 372 . 1 1 82 82 GLU CA C 13 52.8 0.14 . 1 . . . . . . . . 6057 1 373 . 1 1 82 82 GLU CB C 13 33.1 0.14 . 1 . . . . . . . . 6057 1 374 . 1 1 82 82 GLU N N 15 119.7 0.07 . 1 . . . . . . . . 6057 1 375 . 1 1 83 83 PRO C C 13 176.5 0.14 . 1 . . . . . . . . 6057 1 376 . 1 1 83 83 PRO CA C 13 63.7 0.14 . 1 . . . . . . . . 6057 1 377 . 1 1 83 83 PRO CB C 13 31.1 0.14 . 1 . . . . . . . . 6057 1 378 . 1 1 84 84 TYR H H 1 8.91 0.01 . 1 . . . . . . . . 6057 1 379 . 1 1 84 84 TYR C C 13 174.3 0.14 . 1 . . . . . . . . 6057 1 380 . 1 1 84 84 TYR CA C 13 56.6 0.14 . 1 . . . . . . . . 6057 1 381 . 1 1 84 84 TYR CB C 13 44.6 0.14 . 1 . . . . . . . . 6057 1 382 . 1 1 84 84 TYR N N 15 127.8 0.07 . 1 . . . . . . . . 6057 1 383 . 1 1 85 85 VAL H H 1 9.34 0.01 . 1 . . . . . . . . 6057 1 384 . 1 1 85 85 VAL C C 13 175.3 0.14 . 1 . . . . . . . . 6057 1 385 . 1 1 85 85 VAL CA C 13 58.9 0.14 . 1 . . . . . . . . 6057 1 386 . 1 1 85 85 VAL CB C 13 34.9 0.14 . 1 . . . . . . . . 6057 1 387 . 1 1 85 85 VAL N N 15 117.3 0.07 . 1 . . . . . . . . 6057 1 388 . 1 1 86 86 ALA H H 1 8.47 0.01 . 1 . . . . . . . . 6057 1 389 . 1 1 86 86 ALA C C 13 179.5 0.14 . 1 . . . . . . . . 6057 1 390 . 1 1 86 86 ALA CA C 13 51.8 0.14 . 1 . . . . . . . . 6057 1 391 . 1 1 86 86 ALA CB C 13 17.2 0.14 . 1 . . . . . . . . 6057 1 392 . 1 1 86 86 ALA N N 15 126.5 0.07 . 1 . . . . . . . . 6057 1 393 . 1 1 87 87 ILE H H 1 8.97 0.01 . 1 . . . . . . . . 6057 1 394 . 1 1 87 87 ILE C C 13 174.5 0.14 . 1 . . . . . . . . 6057 1 395 . 1 1 87 87 ILE CA C 13 60.1 0.14 . 1 . . . . . . . . 6057 1 396 . 1 1 87 87 ILE CB C 13 37.8 0.14 . 1 . . . . . . . . 6057 1 397 . 1 1 87 87 ILE N N 15 119.5 0.07 . 1 . . . . . . . . 6057 1 398 . 1 1 88 88 LYS H H 1 7.48 0.01 . 1 . . . . . . . . 6057 1 399 . 1 1 88 88 LYS C C 13 172.8 0.14 . 1 . . . . . . . . 6057 1 400 . 1 1 88 88 LYS CA C 13 54.9 0.14 . 1 . . . . . . . . 6057 1 401 . 1 1 88 88 LYS CB C 13 34.7 0.14 . 1 . . . . . . . . 6057 1 402 . 1 1 88 88 LYS N N 15 122.3 0.07 . 1 . . . . . . . . 6057 1 403 . 1 1 89 89 ALA H H 1 8.22 0.01 . 1 . . . . . . . . 6057 1 404 . 1 1 89 89 ALA C C 13 177.5 0.14 . 1 . . . . . . . . 6057 1 405 . 1 1 89 89 ALA CA C 13 51.6 0.14 . 1 . . . . . . . . 6057 1 406 . 1 1 89 89 ALA CB C 13 18.9 0.14 . 1 . . . . . . . . 6057 1 407 . 1 1 89 89 ALA N N 15 124.1 0.07 . 1 . . . . . . . . 6057 1 408 . 1 1 90 90 TYR H H 1 8.55 0.01 . 1 . . . . . . . . 6057 1 409 . 1 1 90 90 TYR C C 13 173.6 0.14 . 1 . . . . . . . . 6057 1 410 . 1 1 90 90 TYR CA C 13 58.5 0.14 . 1 . . . . . . . . 6057 1 411 . 1 1 90 90 TYR CB C 13 41.1 0.14 . 1 . . . . . . . . 6057 1 412 . 1 1 90 90 TYR N N 15 121.0 0.07 . 1 . . . . . . . . 6057 1 413 . 1 1 91 91 THR H H 1 7.32 0.01 . 1 . . . . . . . . 6057 1 414 . 1 1 91 91 THR C C 13 171.3 0.14 . 1 . . . . . . . . 6057 1 415 . 1 1 91 91 THR CA C 13 60.4 0.14 . 1 . . . . . . . . 6057 1 416 . 1 1 91 91 THR CB C 13 69.4 0.14 . 1 . . . . . . . . 6057 1 417 . 1 1 91 91 THR N N 15 125.6 0.07 . 1 . . . . . . . . 6057 1 418 . 1 1 92 92 ALA H H 1 8.62 0.01 . 1 . . . . . . . . 6057 1 419 . 1 1 92 92 ALA C C 13 177.9 0.14 . 1 . . . . . . . . 6057 1 420 . 1 1 92 92 ALA CA C 13 52.7 0.14 . 1 . . . . . . . . 6057 1 421 . 1 1 92 92 ALA CB C 13 19.9 0.14 . 1 . . . . . . . . 6057 1 422 . 1 1 92 92 ALA N N 15 127.7 0.07 . 1 . . . . . . . . 6057 1 423 . 1 1 93 93 VAL H H 1 8.68 0.01 . 1 . . . . . . . . 6057 1 424 . 1 1 93 93 VAL C C 13 176.8 0.14 . 1 . . . . . . . . 6057 1 425 . 1 1 93 93 VAL CA C 13 62.7 0.14 . 1 . . . . . . . . 6057 1 426 . 1 1 93 93 VAL CB C 13 32.3 0.14 . 1 . . . . . . . . 6057 1 427 . 1 1 93 93 VAL N N 15 122.0 0.07 . 1 . . . . . . . . 6057 1 428 . 1 1 94 94 GLU H H 1 6.74 0.01 . 1 . . . . . . . . 6057 1 429 . 1 1 94 94 GLU C C 13 178.6 0.14 . 1 . . . . . . . . 6057 1 430 . 1 1 94 94 GLU CA C 13 54.4 0.14 . 1 . . . . . . . . 6057 1 431 . 1 1 94 94 GLU CB C 13 31.4 0.14 . 1 . . . . . . . . 6057 1 432 . 1 1 94 94 GLU N N 15 118.0 0.07 . 1 . . . . . . . . 6057 1 433 . 1 1 95 95 GLY H H 1 8.85 0.01 . 1 . . . . . . . . 6057 1 434 . 1 1 95 95 GLY C C 13 173.7 0.14 . 1 . . . . . . . . 6057 1 435 . 1 1 95 95 GLY CA C 13 46.3 0.14 . 1 . . . . . . . . 6057 1 436 . 1 1 95 95 GLY N N 15 107.4 0.07 . 1 . . . . . . . . 6057 1 437 . 1 1 96 96 ASP H H 1 8.21 0.01 . 1 . . . . . . . . 6057 1 438 . 1 1 96 96 ASP C C 13 175.6 0.14 . 1 . . . . . . . . 6057 1 439 . 1 1 96 96 ASP CA C 13 52.2 0.14 . 1 . . . . . . . . 6057 1 440 . 1 1 96 96 ASP CB C 13 39.0 0.14 . 1 . . . . . . . . 6057 1 441 . 1 1 96 96 ASP N N 15 117.3 0.07 . 1 . . . . . . . . 6057 1 442 . 1 1 97 97 GLU H H 1 7.39 0.01 . 1 . . . . . . . . 6057 1 443 . 1 1 97 97 GLU C C 13 176.2 0.14 . 1 . . . . . . . . 6057 1 444 . 1 1 97 97 GLU CA C 13 54.5 0.14 . 1 . . . . . . . . 6057 1 445 . 1 1 97 97 GLU CB C 13 32.0 0.14 . 1 . . . . . . . . 6057 1 446 . 1 1 97 97 GLU N N 15 119.1 0.07 . 1 . . . . . . . . 6057 1 447 . 1 1 98 98 VAL H H 1 8.33 0.01 . 1 . . . . . . . . 6057 1 448 . 1 1 98 98 VAL C C 13 174.0 0.14 . 1 . . . . . . . . 6057 1 449 . 1 1 98 98 VAL CA C 13 60.6 0.14 . 1 . . . . . . . . 6057 1 450 . 1 1 98 98 VAL CB C 13 34.1 0.14 . 1 . . . . . . . . 6057 1 451 . 1 1 98 98 VAL N N 15 121.6 0.07 . 1 . . . . . . . . 6057 1 452 . 1 1 99 99 SER H H 1 8.09 0.01 . 1 . . . . . . . . 6057 1 453 . 1 1 99 99 SER C C 13 174.5 0.14 . 1 . . . . . . . . 6057 1 454 . 1 1 99 99 SER CA C 13 57.4 0.14 . 1 . . . . . . . . 6057 1 455 . 1 1 99 99 SER CB C 13 63.6 0.14 . 1 . . . . . . . . 6057 1 456 . 1 1 99 99 SER N N 15 119.5 0.07 . 1 . . . . . . . . 6057 1 457 . 1 1 100 100 LEU H H 1 8.69 0.01 . 1 . . . . . . . . 6057 1 458 . 1 1 100 100 LEU C C 13 176.7 0.14 . 1 . . . . . . . . 6057 1 459 . 1 1 100 100 LEU CA C 13 53.3 0.14 . 1 . . . . . . . . 6057 1 460 . 1 1 100 100 LEU CB C 13 44.8 0.14 . 1 . . . . . . . . 6057 1 461 . 1 1 100 100 LEU N N 15 121.7 0.07 . 1 . . . . . . . . 6057 1 462 . 1 1 101 101 LEU H H 1 9.11 0.01 . 1 . . . . . . . . 6057 1 463 . 1 1 101 101 LEU C C 13 176.9 0.14 . 1 . . . . . . . . 6057 1 464 . 1 1 101 101 LEU CA C 13 52.5 0.14 . 1 . . . . . . . . 6057 1 465 . 1 1 101 101 LEU CB C 13 41.8 0.14 . 1 . . . . . . . . 6057 1 466 . 1 1 101 101 LEU N N 15 122.4 0.07 . 1 . . . . . . . . 6057 1 467 . 1 1 102 102 GLU H H 1 8.17 0.01 . 1 . . . . . . . . 6057 1 468 . 1 1 102 102 GLU C C 13 177.6 0.14 . 1 . . . . . . . . 6057 1 469 . 1 1 102 102 GLU CA C 13 58.4 0.14 . 1 . . . . . . . . 6057 1 470 . 1 1 102 102 GLU CB C 13 28.4 0.14 . 1 . . . . . . . . 6057 1 471 . 1 1 102 102 GLU N N 15 118.8 0.07 . 1 . . . . . . . . 6057 1 472 . 1 1 103 103 GLY H H 1 8.90 0.01 . 1 . . . . . . . . 6057 1 473 . 1 1 103 103 GLY C C 13 174.3 0.14 . 1 . . . . . . . . 6057 1 474 . 1 1 103 103 GLY CA C 13 44.4 0.14 . 1 . . . . . . . . 6057 1 475 . 1 1 103 103 GLY N N 15 114.0 0.07 . 1 . . . . . . . . 6057 1 476 . 1 1 104 104 GLU H H 1 7.60 0.01 . 1 . . . . . . . . 6057 1 477 . 1 1 104 104 GLU C C 13 174.7 0.14 . 1 . . . . . . . . 6057 1 478 . 1 1 104 104 GLU CA C 13 58.3 0.14 . 1 . . . . . . . . 6057 1 479 . 1 1 104 104 GLU CB C 13 30.4 0.14 . 1 . . . . . . . . 6057 1 480 . 1 1 104 104 GLU N N 15 120.8 0.07 . 1 . . . . . . . . 6057 1 481 . 1 1 105 105 ALA H H 1 8.31 0.01 . 1 . . . . . . . . 6057 1 482 . 1 1 105 105 ALA C C 13 177.7 0.14 . 1 . . . . . . . . 6057 1 483 . 1 1 105 105 ALA CA C 13 51.1 0.14 . 1 . . . . . . . . 6057 1 484 . 1 1 105 105 ALA CB C 13 19.2 0.14 . 1 . . . . . . . . 6057 1 485 . 1 1 105 105 ALA N N 15 126.4 0.07 . 1 . . . . . . . . 6057 1 486 . 1 1 106 106 VAL H H 1 8.85 0.01 . 1 . . . . . . . . 6057 1 487 . 1 1 106 106 VAL C C 13 174.6 0.14 . 1 . . . . . . . . 6057 1 488 . 1 1 106 106 VAL CA C 13 58.8 0.14 . 1 . . . . . . . . 6057 1 489 . 1 1 106 106 VAL CB C 13 35.6 0.14 . 1 . . . . . . . . 6057 1 490 . 1 1 106 106 VAL N N 15 114.2 0.07 . 1 . . . . . . . . 6057 1 491 . 1 1 107 107 GLU H H 1 8.26 0.01 . 1 . . . . . . . . 6057 1 492 . 1 1 107 107 GLU C C 13 176.1 0.14 . 1 . . . . . . . . 6057 1 493 . 1 1 107 107 GLU CA C 13 53.8 0.14 . 1 . . . . . . . . 6057 1 494 . 1 1 107 107 GLU CB C 13 31.8 0.14 . 1 . . . . . . . . 6057 1 495 . 1 1 107 107 GLU N N 15 118.3 0.07 . 1 . . . . . . . . 6057 1 496 . 1 1 108 108 VAL H H 1 9.62 0.01 . 1 . . . . . . . . 6057 1 497 . 1 1 108 108 VAL C C 13 176.6 0.14 . 1 . . . . . . . . 6057 1 498 . 1 1 108 108 VAL CA C 13 63.2 0.14 . 1 . . . . . . . . 6057 1 499 . 1 1 108 108 VAL CB C 13 31.7 0.14 . 1 . . . . . . . . 6057 1 500 . 1 1 108 108 VAL N N 15 124.6 0.07 . 1 . . . . . . . . 6057 1 501 . 1 1 109 109 ILE H H 1 8.67 0.01 . 1 . . . . . . . . 6057 1 502 . 1 1 109 109 ILE C C 13 175.2 0.14 . 1 . . . . . . . . 6057 1 503 . 1 1 109 109 ILE CA C 13 59.5 0.14 . 1 . . . . . . . . 6057 1 504 . 1 1 109 109 ILE CB C 13 39.0 0.14 . 1 . . . . . . . . 6057 1 505 . 1 1 109 109 ILE N N 15 122.7 0.07 . 1 . . . . . . . . 6057 1 506 . 1 1 110 110 HIS H H 1 7.68 0.01 . 1 . . . . . . . . 6057 1 507 . 1 1 110 110 HIS C C 13 174.7 0.14 . 1 . . . . . . . . 6057 1 508 . 1 1 110 110 HIS CA C 13 54.1 0.14 . 1 . . . . . . . . 6057 1 509 . 1 1 110 110 HIS CB C 13 34.2 0.14 . 1 . . . . . . . . 6057 1 510 . 1 1 110 110 HIS N N 15 121.4 0.07 . 1 . . . . . . . . 6057 1 511 . 1 1 111 111 LYS H H 1 8.29 0.01 . 1 . . . . . . . . 6057 1 512 . 1 1 111 111 LYS C C 13 173.5 0.14 . 1 . . . . . . . . 6057 1 513 . 1 1 111 111 LYS CA C 13 54.4 0.14 . 1 . . . . . . . . 6057 1 514 . 1 1 111 111 LYS CB C 13 30.9 0.14 . 1 . . . . . . . . 6057 1 515 . 1 1 111 111 LYS N N 15 131.7 0.07 . 1 . . . . . . . . 6057 1 516 . 1 1 112 112 LEU H H 1 6.00 0.01 . 1 . . . . . . . . 6057 1 517 . 1 1 112 112 LEU C C 13 178.9 0.14 . 1 . . . . . . . . 6057 1 518 . 1 1 112 112 LEU CA C 13 55.0 0.14 . 1 . . . . . . . . 6057 1 519 . 1 1 112 112 LEU CB C 13 42.5 0.14 . 1 . . . . . . . . 6057 1 520 . 1 1 112 112 LEU N N 15 122.2 0.07 . 1 . . . . . . . . 6057 1 521 . 1 1 113 113 LEU H H 1 8.81 0.01 . 1 . . . . . . . . 6057 1 522 . 1 1 113 113 LEU C C 13 175.9 0.14 . 1 . . . . . . . . 6057 1 523 . 1 1 113 113 LEU CA C 13 56.1 0.14 . 1 . . . . . . . . 6057 1 524 . 1 1 113 113 LEU CB C 13 41.8 0.14 . 1 . . . . . . . . 6057 1 525 . 1 1 113 113 LEU N N 15 119.5 0.07 . 1 . . . . . . . . 6057 1 526 . 1 1 114 114 ASP H H 1 7.56 0.01 . 1 . . . . . . . . 6057 1 527 . 1 1 114 114 ASP C C 13 178.2 0.14 . 1 . . . . . . . . 6057 1 528 . 1 1 114 114 ASP CA C 13 52.9 0.14 . 1 . . . . . . . . 6057 1 529 . 1 1 114 114 ASP CB C 13 38.5 0.14 . 1 . . . . . . . . 6057 1 530 . 1 1 114 114 ASP N N 15 115.0 0.07 . 1 . . . . . . . . 6057 1 531 . 1 1 115 115 GLY H H 1 7.85 0.01 . 1 . . . . . . . . 6057 1 532 . 1 1 115 115 GLY C C 13 173.6 0.14 . 1 . . . . . . . . 6057 1 533 . 1 1 115 115 GLY CA C 13 45.2 0.14 . 1 . . . . . . . . 6057 1 534 . 1 1 115 115 GLY N N 15 104.9 0.07 . 1 . . . . . . . . 6057 1 535 . 1 1 116 116 TRP H H 1 7.92 0.01 . 1 . . . . . . . . 6057 1 536 . 1 1 116 116 TRP C C 13 174.9 0.14 . 1 . . . . . . . . 6057 1 537 . 1 1 116 116 TRP CA C 13 57.1 0.14 . 1 . . . . . . . . 6057 1 538 . 1 1 116 116 TRP CB C 13 27.6 0.14 . 1 . . . . . . . . 6057 1 539 . 1 1 116 116 TRP N N 15 125.3 0.07 . 1 . . . . . . . . 6057 1 540 . 1 1 117 117 TRP H H 1 8.41 0.01 . 1 . . . . . . . . 6057 1 541 . 1 1 117 117 TRP C C 13 175.4 0.14 . 1 . . . . . . . . 6057 1 542 . 1 1 117 117 TRP CA C 13 53.7 0.14 . 1 . . . . . . . . 6057 1 543 . 1 1 117 117 TRP CB C 13 31.0 0.14 . 1 . . . . . . . . 6057 1 544 . 1 1 117 117 TRP N N 15 124.9 0.07 . 1 . . . . . . . . 6057 1 545 . 1 1 118 118 VAL H H 1 8.31 0.01 . 1 . . . . . . . . 6057 1 546 . 1 1 118 118 VAL C C 13 176.2 0.14 . 1 . . . . . . . . 6057 1 547 . 1 1 118 118 VAL CA C 13 61.8 0.14 . 1 . . . . . . . . 6057 1 548 . 1 1 118 118 VAL CB C 13 30.3 0.14 . 1 . . . . . . . . 6057 1 549 . 1 1 118 118 VAL N N 15 119.2 0.07 . 1 . . . . . . . . 6057 1 550 . 1 1 119 119 ILE H H 1 9.33 0.01 . 1 . . . . . . . . 6057 1 551 . 1 1 119 119 ILE C C 13 172.7 0.14 . 1 . . . . . . . . 6057 1 552 . 1 1 119 119 ILE CA C 13 57.8 0.14 . 1 . . . . . . . . 6057 1 553 . 1 1 119 119 ILE CB C 13 41.5 0.14 . 1 . . . . . . . . 6057 1 554 . 1 1 119 119 ILE N N 15 123.9 0.07 . 1 . . . . . . . . 6057 1 555 . 1 1 120 120 ARG H H 1 9.19 0.01 . 1 . . . . . . . . 6057 1 556 . 1 1 120 120 ARG C C 13 174.6 0.14 . 1 . . . . . . . . 6057 1 557 . 1 1 120 120 ARG CA C 13 53.7 0.14 . 1 . . . . . . . . 6057 1 558 . 1 1 120 120 ARG CB C 13 33.8 0.14 . 1 . . . . . . . . 6057 1 559 . 1 1 120 120 ARG N N 15 119.8 0.07 . 1 . . . . . . . . 6057 1 560 . 1 1 121 121 LYS H H 1 8.73 0.01 . 1 . . . . . . . . 6057 1 561 . 1 1 121 121 LYS C C 13 175.4 0.14 . 1 . . . . . . . . 6057 1 562 . 1 1 121 121 LYS CA C 13 54.7 0.14 . 1 . . . . . . . . 6057 1 563 . 1 1 121 121 LYS CB C 13 33.1 0.14 . 1 . . . . . . . . 6057 1 564 . 1 1 121 121 LYS N N 15 127.2 0.07 . 1 . . . . . . . . 6057 1 565 . 1 1 122 122 ASP H H 1 9.34 0.01 . 1 . . . . . . . . 6057 1 566 . 1 1 122 122 ASP C C 13 174.6 0.14 . 1 . . . . . . . . 6057 1 567 . 1 1 122 122 ASP CA C 13 56.8 0.14 . 1 . . . . . . . . 6057 1 568 . 1 1 122 122 ASP CB C 13 39.0 0.14 . 1 . . . . . . . . 6057 1 569 . 1 1 122 122 ASP N N 15 127.2 0.07 . 1 . . . . . . . . 6057 1 570 . 1 1 123 123 ASP H H 1 8.48 0.01 . 1 . . . . . . . . 6057 1 571 . 1 1 123 123 ASP C C 13 175.9 0.14 . 1 . . . . . . . . 6057 1 572 . 1 1 123 123 ASP CA C 13 54.6 0.14 . 1 . . . . . . . . 6057 1 573 . 1 1 123 123 ASP CB C 13 40.3 0.14 . 1 . . . . . . . . 6057 1 574 . 1 1 123 123 ASP N N 15 119.9 0.07 . 1 . . . . . . . . 6057 1 575 . 1 1 124 124 VAL H H 1 8.06 0.01 . 1 . . . . . . . . 6057 1 576 . 1 1 124 124 VAL C C 13 175.2 0.14 . 1 . . . . . . . . 6057 1 577 . 1 1 124 124 VAL CA C 13 62.1 0.14 . 1 . . . . . . . . 6057 1 578 . 1 1 124 124 VAL CB C 13 32.8 0.14 . 1 . . . . . . . . 6057 1 579 . 1 1 124 124 VAL N N 15 122.1 0.07 . 1 . . . . . . . . 6057 1 580 . 1 1 125 125 THR H H 1 7.69 0.01 . 1 . . . . . . . . 6057 1 581 . 1 1 125 125 THR C C 13 174.4 0.14 . 1 . . . . . . . . 6057 1 582 . 1 1 125 125 THR CA C 13 59.2 0.14 . 1 . . . . . . . . 6057 1 583 . 1 1 125 125 THR CB C 13 71.2 0.14 . 1 . . . . . . . . 6057 1 584 . 1 1 125 125 THR N N 15 116.3 0.07 . 1 . . . . . . . . 6057 1 585 . 1 1 126 126 GLY H H 1 8.28 0.01 . 1 . . . . . . . . 6057 1 586 . 1 1 126 126 GLY C C 13 170.7 0.14 . 1 . . . . . . . . 6057 1 587 . 1 1 126 126 GLY CA C 13 45.0 0.14 . 1 . . . . . . . . 6057 1 588 . 1 1 126 126 GLY N N 15 108.7 0.07 . 1 . . . . . . . . 6057 1 589 . 1 1 127 127 TYR H H 1 9.45 0.01 . 1 . . . . . . . . 6057 1 590 . 1 1 127 127 TYR C C 13 176.5 0.14 . 1 . . . . . . . . 6057 1 591 . 1 1 127 127 TYR CA C 13 58.8 0.14 . 1 . . . . . . . . 6057 1 592 . 1 1 127 127 TYR CB C 13 41.6 0.14 . 1 . . . . . . . . 6057 1 593 . 1 1 127 127 TYR N N 15 118.6 0.07 . 1 . . . . . . . . 6057 1 594 . 1 1 128 128 PHE H H 1 9.35 0.01 . 1 . . . . . . . . 6057 1 595 . 1 1 128 128 PHE CA C 13 56.4 0.14 . 1 . . . . . . . . 6057 1 596 . 1 1 128 128 PHE CB C 13 46.1 0.14 . 1 . . . . . . . . 6057 1 597 . 1 1 128 128 PHE N N 15 121.4 0.07 . 1 . . . . . . . . 6057 1 598 . 1 1 129 129 PRO C C 13 177.2 0.14 . 1 . . . . . . . . 6057 1 599 . 1 1 129 129 PRO CA C 13 60.8 0.14 . 1 . . . . . . . . 6057 1 600 . 1 1 129 129 PRO CB C 13 29.1 0.14 . 1 . . . . . . . . 6057 1 601 . 1 1 130 130 SER H H 1 7.93 0.01 . 1 . . . . . . . . 6057 1 602 . 1 1 130 130 SER C C 13 176.9 0.14 . 1 . . . . . . . . 6057 1 603 . 1 1 130 130 SER CA C 13 59.7 0.14 . 1 . . . . . . . . 6057 1 604 . 1 1 130 130 SER CB C 13 60.7 0.14 . 1 . . . . . . . . 6057 1 605 . 1 1 130 130 SER N N 15 124.5 0.07 . 1 . . . . . . . . 6057 1 606 . 1 1 131 131 MET H H 1 8.20 0.01 . 1 . . . . . . . . 6057 1 607 . 1 1 131 131 MET C C 13 176.3 0.14 . 1 . . . . . . . . 6057 1 608 . 1 1 131 131 MET CA C 13 56.0 0.14 . 1 . . . . . . . . 6057 1 609 . 1 1 131 131 MET CB C 13 32.2 0.14 . 1 . . . . . . . . 6057 1 610 . 1 1 131 131 MET N N 15 119.1 0.07 . 1 . . . . . . . . 6057 1 611 . 1 1 132 132 TYR H H 1 7.07 0.01 . 1 . . . . . . . . 6057 1 612 . 1 1 132 132 TYR C C 13 174.6 0.14 . 1 . . . . . . . . 6057 1 613 . 1 1 132 132 TYR CA C 13 52.9 0.14 . 1 . . . . . . . . 6057 1 614 . 1 1 132 132 TYR CB C 13 36.0 0.14 . 1 . . . . . . . . 6057 1 615 . 1 1 132 132 TYR N N 15 116.6 0.07 . 1 . . . . . . . . 6057 1 616 . 1 1 133 133 LEU H H 1 7.70 0.01 . 1 . . . . . . . . 6057 1 617 . 1 1 133 133 LEU C C 13 175.8 0.14 . 1 . . . . . . . . 6057 1 618 . 1 1 133 133 LEU CA C 13 53.0 0.14 . 1 . . . . . . . . 6057 1 619 . 1 1 133 133 LEU CB C 13 45.6 0.14 . 1 . . . . . . . . 6057 1 620 . 1 1 133 133 LEU N N 15 121.5 0.07 . 1 . . . . . . . . 6057 1 621 . 1 1 134 134 GLN H H 1 9.21 0.01 . 1 . . . . . . . . 6057 1 622 . 1 1 134 134 GLN C C 13 174.2 0.14 . 1 . . . . . . . . 6057 1 623 . 1 1 134 134 GLN CA C 13 53.7 0.14 . 1 . . . . . . . . 6057 1 624 . 1 1 134 134 GLN CB C 13 32.9 0.14 . 1 . . . . . . . . 6057 1 625 . 1 1 134 134 GLN N N 15 119.9 0.07 . 1 . . . . . . . . 6057 1 626 . 1 1 135 135 LYS H H 1 8.67 0.01 . 1 . . . . . . . . 6057 1 627 . 1 1 135 135 LYS C C 13 176.7 0.14 . 1 . . . . . . . . 6057 1 628 . 1 1 135 135 LYS CA C 13 57.2 0.14 . 1 . . . . . . . . 6057 1 629 . 1 1 135 135 LYS CB C 13 31.8 0.14 . 1 . . . . . . . . 6057 1 630 . 1 1 135 135 LYS N N 15 128.4 0.07 . 1 . . . . . . . . 6057 1 631 . 1 1 136 136 SER H H 1 7.77 0.01 . 1 . . . . . . . . 6057 1 632 . 1 1 136 136 SER C C 13 175.6 0.14 . 1 . . . . . . . . 6057 1 633 . 1 1 136 136 SER CA C 13 59.2 0.14 . 1 . . . . . . . . 6057 1 634 . 1 1 136 136 SER CB C 13 62.9 0.14 . 1 . . . . . . . . 6057 1 635 . 1 1 136 136 SER N N 15 118.8 0.07 . 1 . . . . . . . . 6057 1 636 . 1 1 137 137 GLY H H 1 8.66 0.01 . 1 . . . . . . . . 6057 1 637 . 1 1 137 137 GLY C C 13 174.1 0.14 . 1 . . . . . . . . 6057 1 638 . 1 1 137 137 GLY CA C 13 45.0 0.14 . 1 . . . . . . . . 6057 1 639 . 1 1 137 137 GLY N N 15 113.7 0.07 . 1 . . . . . . . . 6057 1 640 . 1 1 138 138 GLN H H 1 7.66 0.01 . 1 . . . . . . . . 6057 1 641 . 1 1 138 138 GLN C C 13 175.2 0.14 . 1 . . . . . . . . 6057 1 642 . 1 1 138 138 GLN CA C 13 54.5 0.14 . 1 . . . . . . . . 6057 1 643 . 1 1 138 138 GLN CB C 13 29.2 0.14 . 1 . . . . . . . . 6057 1 644 . 1 1 138 138 GLN N N 15 119.5 0.07 . 1 . . . . . . . . 6057 1 645 . 1 1 139 139 ASP H H 1 8.38 0.01 . 1 . . . . . . . . 6057 1 646 . 1 1 139 139 ASP C C 13 177.0 0.14 . 1 . . . . . . . . 6057 1 647 . 1 1 139 139 ASP CA C 13 54.0 0.14 . 1 . . . . . . . . 6057 1 648 . 1 1 139 139 ASP CB C 13 40.9 0.14 . 1 . . . . . . . . 6057 1 649 . 1 1 139 139 ASP N N 15 122.2 0.07 . 1 . . . . . . . . 6057 1 650 . 1 1 140 140 VAL H H 1 8.29 0.01 . 1 . . . . . . . . 6057 1 651 . 1 1 140 140 VAL C C 13 176.9 0.14 . 1 . . . . . . . . 6057 1 652 . 1 1 140 140 VAL CA C 13 62.9 0.14 . 1 . . . . . . . . 6057 1 653 . 1 1 140 140 VAL CB C 13 31.5 0.14 . 1 . . . . . . . . 6057 1 654 . 1 1 140 140 VAL N N 15 123.3 0.07 . 1 . . . . . . . . 6057 1 655 . 1 1 141 141 SER H H 1 8.42 0.01 . 1 . . . . . . . . 6057 1 656 . 1 1 141 141 SER C C 13 175.9 0.14 . 1 . . . . . . . . 6057 1 657 . 1 1 141 141 SER CA C 13 59.3 0.14 . 1 . . . . . . . . 6057 1 658 . 1 1 141 141 SER CB C 13 63.4 0.14 . 1 . . . . . . . . 6057 1 659 . 1 1 141 141 SER N N 15 119.5 0.07 . 1 . . . . . . . . 6057 1 660 . 1 1 142 142 GLN H H 1 8.26 0.01 . 1 . . . . . . . . 6057 1 661 . 1 1 142 142 GLN C C 13 177.3 0.14 . 1 . . . . . . . . 6057 1 662 . 1 1 142 142 GLN CA C 13 56.8 0.14 . 1 . . . . . . . . 6057 1 663 . 1 1 142 142 GLN CB C 13 27.8 0.14 . 1 . . . . . . . . 6057 1 664 . 1 1 142 142 GLN N N 15 122.0 0.07 . 1 . . . . . . . . 6057 1 665 . 1 1 143 143 ALA H H 1 7.89 0.01 . 1 . . . . . . . . 6057 1 666 . 1 1 143 143 ALA C C 13 179.3 0.14 . 1 . . . . . . . . 6057 1 667 . 1 1 143 143 ALA CA C 13 53.6 0.14 . 1 . . . . . . . . 6057 1 668 . 1 1 143 143 ALA CB C 13 18.0 0.14 . 1 . . . . . . . . 6057 1 669 . 1 1 143 143 ALA N N 15 122.9 0.07 . 1 . . . . . . . . 6057 1 670 . 1 1 144 144 GLN H H 1 8.11 0.01 . 1 . . . . . . . . 6057 1 671 . 1 1 144 144 GLN C C 13 177.5 0.14 . 1 . . . . . . . . 6057 1 672 . 1 1 144 144 GLN CA C 13 57.0 0.14 . 1 . . . . . . . . 6057 1 673 . 1 1 144 144 GLN CB C 13 27.9 0.14 . 1 . . . . . . . . 6057 1 674 . 1 1 144 144 GLN N N 15 117.8 0.07 . 1 . . . . . . . . 6057 1 675 . 1 1 145 145 ARG H H 1 7.87 0.01 . 1 . . . . . . . . 6057 1 676 . 1 1 145 145 ARG C C 13 176.9 0.14 . 1 . . . . . . . . 6057 1 677 . 1 1 145 145 ARG CA C 13 56.8 0.14 . 1 . . . . . . . . 6057 1 678 . 1 1 145 145 ARG CB C 13 29.6 0.14 . 1 . . . . . . . . 6057 1 679 . 1 1 145 145 ARG N N 15 119.8 0.07 . 1 . . . . . . . . 6057 1 680 . 1 1 146 146 GLN H H 1 7.78 0.01 . 1 . . . . . . . . 6057 1 681 . 1 1 146 146 GLN C C 13 176.1 0.14 . 1 . . . . . . . . 6057 1 682 . 1 1 146 146 GLN CA C 13 55.3 0.14 . 1 . . . . . . . . 6057 1 683 . 1 1 146 146 GLN CB C 13 28.1 0.14 . 1 . . . . . . . . 6057 1 684 . 1 1 146 146 GLN N N 15 118.5 0.07 . 1 . . . . . . . . 6057 1 685 . 1 1 147 147 ILE H H 1 7.59 0.01 . 1 . . . . . . . . 6057 1 686 . 1 1 147 147 ILE C C 13 176.6 0.14 . 1 . . . . . . . . 6057 1 687 . 1 1 147 147 ILE CA C 13 61.8 0.14 . 1 . . . . . . . . 6057 1 688 . 1 1 147 147 ILE CB C 13 37.2 0.14 . 1 . . . . . . . . 6057 1 689 . 1 1 147 147 ILE N N 15 120.9 0.07 . 1 . . . . . . . . 6057 1 690 . 1 1 148 148 LYS H H 1 8.15 0.01 . 1 . . . . . . . . 6057 1 691 . 1 1 148 148 LYS C C 13 176.4 0.14 . 1 . . . . . . . . 6057 1 692 . 1 1 148 148 LYS CA C 13 56.2 0.14 . 1 . . . . . . . . 6057 1 693 . 1 1 148 148 LYS CB C 13 31.6 0.14 . 1 . . . . . . . . 6057 1 694 . 1 1 148 148 LYS N N 15 124.9 0.07 . 1 . . . . . . . . 6057 1 695 . 1 1 149 149 ARG H H 1 7.41 0.01 . 1 . . . . . . . . 6057 1 696 . 1 1 149 149 ARG C C 13 175.8 0.14 . 1 . . . . . . . . 6057 1 697 . 1 1 149 149 ARG CA C 13 55.5 0.14 . 1 . . . . . . . . 6057 1 698 . 1 1 149 149 ARG CB C 13 30.3 0.14 . 1 . . . . . . . . 6057 1 699 . 1 1 149 149 ARG N N 15 118.9 0.07 . 1 . . . . . . . . 6057 1 700 . 1 1 150 150 GLY H H 1 7.86 0.01 . 1 . . . . . . . . 6057 1 701 . 1 1 150 150 GLY C C 13 172.2 0.14 . 1 . . . . . . . . 6057 1 702 . 1 1 150 150 GLY CA C 13 43.5 0.14 . 1 . . . . . . . . 6057 1 703 . 1 1 150 150 GLY N N 15 106.1 0.07 . 1 . . . . . . . . 6057 1 704 . 1 1 151 151 ALA H H 1 7.71 0.01 . 1 . . . . . . . . 6057 1 705 . 1 1 151 151 ALA CA C 13 50.1 0.14 . 1 . . . . . . . . 6057 1 706 . 1 1 151 151 ALA CB C 13 15.8 0.14 . 1 . . . . . . . . 6057 1 707 . 1 1 151 151 ALA N N 15 121.1 0.07 . 1 . . . . . . . . 6057 1 708 . 1 1 153 153 PRO C C 13 177.3 0.14 . 1 . . . . . . . . 6057 1 709 . 1 1 153 153 PRO CA C 13 61.8 0.14 . 1 . . . . . . . . 6057 1 710 . 1 1 153 153 PRO CB C 13 31.0 0.14 . 1 . . . . . . . . 6057 1 711 . 1 1 154 154 ARG H H 1 8.51 0.01 . 1 . . . . . . . . 6057 1 712 . 1 1 154 154 ARG C C 13 178.7 0.14 . 1 . . . . . . . . 6057 1 713 . 1 1 154 154 ARG CA C 13 55.2 0.14 . 1 . . . . . . . . 6057 1 714 . 1 1 154 154 ARG CB C 13 30.4 0.14 . 1 . . . . . . . . 6057 1 715 . 1 1 154 154 ARG N N 15 122.5 0.07 . 1 . . . . . . . . 6057 1 716 . 1 1 155 155 ARG H H 1 9.02 0.01 . 1 . . . . . . . . 6057 1 717 . 1 1 155 155 ARG C C 13 177.7 0.14 . 1 . . . . . . . . 6057 1 718 . 1 1 155 155 ARG CA C 13 57.9 0.14 . 1 . . . . . . . . 6057 1 719 . 1 1 155 155 ARG CB C 13 27.9 0.14 . 1 . . . . . . . . 6057 1 720 . 1 1 155 155 ARG N N 15 125.1 0.07 . 1 . . . . . . . . 6057 1 721 . 1 1 156 156 SER H H 1 7.61 0.01 . 1 . . . . . . . . 6057 1 722 . 1 1 156 156 SER C C 13 175.1 0.14 . 1 . . . . . . . . 6057 1 723 . 1 1 156 156 SER CA C 13 59.1 0.14 . 1 . . . . . . . . 6057 1 724 . 1 1 156 156 SER CB C 13 61.6 0.14 . 1 . . . . . . . . 6057 1 725 . 1 1 156 156 SER N N 15 111.2 0.07 . 1 . . . . . . . . 6057 1 726 . 1 1 157 157 SER H H 1 7.43 0.01 . 1 . . . . . . . . 6057 1 727 . 1 1 157 157 SER C C 13 173.8 0.14 . 1 . . . . . . . . 6057 1 728 . 1 1 157 157 SER CA C 13 58.8 0.14 . 1 . . . . . . . . 6057 1 729 . 1 1 157 157 SER CB C 13 64.3 0.14 . 1 . . . . . . . . 6057 1 730 . 1 1 157 157 SER N N 15 117.4 0.07 . 1 . . . . . . . . 6057 1 731 . 1 1 158 158 ILE H H 1 7.07 0.01 . 1 . . . . . . . . 6057 1 732 . 1 1 158 158 ILE C C 13 176.2 0.14 . 1 . . . . . . . . 6057 1 733 . 1 1 158 158 ILE CA C 13 61.5 0.14 . 1 . . . . . . . . 6057 1 734 . 1 1 158 158 ILE CB C 13 36.7 0.14 . 1 . . . . . . . . 6057 1 735 . 1 1 158 158 ILE N N 15 124.2 0.07 . 1 . . . . . . . . 6057 1 736 . 1 1 159 159 ARG H H 1 8.47 0.01 . 1 . . . . . . . . 6057 1 737 . 1 1 159 159 ARG C C 13 176.1 0.14 . 1 . . . . . . . . 6057 1 738 . 1 1 159 159 ARG CA C 13 55.7 0.14 . 1 . . . . . . . . 6057 1 739 . 1 1 159 159 ARG CB C 13 29.7 0.14 . 1 . . . . . . . . 6057 1 740 . 1 1 159 159 ARG N N 15 128.5 0.07 . 1 . . . . . . . . 6057 1 741 . 1 1 160 160 ASN H H 1 8.57 0.01 . 1 . . . . . . . . 6057 1 742 . 1 1 160 160 ASN C C 13 174.0 0.14 . 1 . . . . . . . . 6057 1 743 . 1 1 160 160 ASN CA C 13 52.8 0.14 . 1 . . . . . . . . 6057 1 744 . 1 1 160 160 ASN CB C 13 37.0 0.14 . 1 . . . . . . . . 6057 1 745 . 1 1 160 160 ASN N N 15 117.6 0.07 . 1 . . . . . . . . 6057 1 746 . 1 1 161 161 ALA H H 1 7.89 0.01 . 1 . . . . . . . . 6057 1 747 . 1 1 161 161 ALA C C 13 177.5 0.14 . 1 . . . . . . . . 6057 1 748 . 1 1 161 161 ALA CA C 13 51.8 0.14 . 1 . . . . . . . . 6057 1 749 . 1 1 161 161 ALA CB C 13 18.9 0.14 . 1 . . . . . . . . 6057 1 750 . 1 1 161 161 ALA N N 15 121.6 0.07 . 1 . . . . . . . . 6057 1 751 . 1 1 162 162 HIS H H 1 9.47 0.01 . 1 . . . . . . . . 6057 1 752 . 1 1 162 162 HIS C C 13 173.7 0.14 . 1 . . . . . . . . 6057 1 753 . 1 1 162 162 HIS CA C 13 55.2 0.14 . 1 . . . . . . . . 6057 1 754 . 1 1 162 162 HIS CB C 13 31.1 0.14 . 1 . . . . . . . . 6057 1 755 . 1 1 162 162 HIS N N 15 123.0 0.07 . 1 . . . . . . . . 6057 1 756 . 1 1 163 163 SER H H 1 8.27 0.01 . 1 . . . . . . . . 6057 1 757 . 1 1 163 163 SER C C 13 176.2 0.14 . 1 . . . . . . . . 6057 1 758 . 1 1 163 163 SER CA C 13 55.0 0.14 . 1 . . . . . . . . 6057 1 759 . 1 1 163 163 SER CB C 13 64.3 0.14 . 1 . . . . . . . . 6057 1 760 . 1 1 163 163 SER N N 15 119.8 0.07 . 1 . . . . . . . . 6057 1 761 . 1 1 164 164 ILE H H 1 8.98 0.01 . 1 . . . . . . . . 6057 1 762 . 1 1 164 164 ILE C C 13 175.7 0.14 . 1 . . . . . . . . 6057 1 763 . 1 1 164 164 ILE CA C 13 61.4 0.14 . 1 . . . . . . . . 6057 1 764 . 1 1 164 164 ILE CB C 13 37.1 0.14 . 1 . . . . . . . . 6057 1 765 . 1 1 164 164 ILE N N 15 123.9 0.07 . 1 . . . . . . . . 6057 1 766 . 1 1 165 165 HIS H H 1 8.52 0.01 . 1 . . . . . . . . 6057 1 767 . 1 1 165 165 HIS C C 13 175.9 0.14 . 1 . . . . . . . . 6057 1 768 . 1 1 165 165 HIS CA C 13 54.8 0.14 . 1 . . . . . . . . 6057 1 769 . 1 1 165 165 HIS CB C 13 32.2 0.14 . 1 . . . . . . . . 6057 1 770 . 1 1 165 165 HIS N N 15 123.3 0.07 . 1 . . . . . . . . 6057 1 771 . 1 1 166 166 GLN H H 1 8.80 0.01 . 1 . . . . . . . . 6057 1 772 . 1 1 166 166 GLN C C 13 175.8 0.14 . 1 . . . . . . . . 6057 1 773 . 1 1 166 166 GLN CA C 13 56.4 0.14 . 1 . . . . . . . . 6057 1 774 . 1 1 166 166 GLN CB C 13 28.2 0.14 . 1 . . . . . . . . 6057 1 775 . 1 1 166 166 GLN N N 15 121.6 0.07 . 1 . . . . . . . . 6057 1 776 . 1 1 167 167 ARG H H 1 7.64 0.01 . 1 . . . . . . . . 6057 1 777 . 1 1 167 167 ARG C C 13 175.3 0.14 . 1 . . . . . . . . 6057 1 778 . 1 1 167 167 ARG CA C 13 54.2 0.14 . 1 . . . . . . . . 6057 1 779 . 1 1 167 167 ARG CB C 13 30.7 0.14 . 1 . . . . . . . . 6057 1 780 . 1 1 167 167 ARG N N 15 117.2 0.07 . 1 . . . . . . . . 6057 1 781 . 1 1 168 168 SER H H 1 8.29 0.01 . 1 . . . . . . . . 6057 1 782 . 1 1 168 168 SER C C 13 174.7 0.14 . 1 . . . . . . . . 6057 1 783 . 1 1 168 168 SER CA C 13 57.4 0.14 . 1 . . . . . . . . 6057 1 784 . 1 1 168 168 SER CB C 13 64.3 0.14 . 1 . . . . . . . . 6057 1 785 . 1 1 168 168 SER N N 15 116.4 0.07 . 1 . . . . . . . . 6057 1 786 . 1 1 169 169 ARG H H 1 8.55 0.01 . 1 . . . . . . . . 6057 1 787 . 1 1 169 169 ARG C C 13 176.1 0.14 . 1 . . . . . . . . 6057 1 788 . 1 1 169 169 ARG CA C 13 55.5 0.14 . 1 . . . . . . . . 6057 1 789 . 1 1 169 169 ARG CB C 13 29.7 0.14 . 1 . . . . . . . . 6057 1 790 . 1 1 169 169 ARG N N 15 123.0 0.07 . 1 . . . . . . . . 6057 1 791 . 1 1 170 170 LYS H H 1 9.06 0.01 . 1 . . . . . . . . 6057 1 792 . 1 1 170 170 LYS C C 13 176.3 0.14 . 1 . . . . . . . . 6057 1 793 . 1 1 170 170 LYS CA C 13 56.5 0.14 . 1 . . . . . . . . 6057 1 794 . 1 1 170 170 LYS CB C 13 31.6 0.14 . 1 . . . . . . . . 6057 1 795 . 1 1 170 170 LYS N N 15 126.8 0.07 . 1 . . . . . . . . 6057 1 796 . 1 1 171 171 ARG H H 1 8.05 0.01 . 1 . . . . . . . . 6057 1 797 . 1 1 171 171 ARG C C 13 175.6 0.14 . 1 . . . . . . . . 6057 1 798 . 1 1 171 171 ARG CA C 13 54.2 0.14 . 1 . . . . . . . . 6057 1 799 . 1 1 171 171 ARG CB C 13 30.9 0.14 . 1 . . . . . . . . 6057 1 800 . 1 1 171 171 ARG N N 15 125.6 0.07 . 1 . . . . . . . . 6057 1 801 . 1 1 172 172 LEU H H 1 8.78 0.01 . 1 . . . . . . . . 6057 1 802 . 1 1 172 172 LEU C C 13 176.4 0.14 . 1 . . . . . . . . 6057 1 803 . 1 1 172 172 LEU CA C 13 54.9 0.14 . 1 . . . . . . . . 6057 1 804 . 1 1 172 172 LEU CB C 13 40.8 0.14 . 1 . . . . . . . . 6057 1 805 . 1 1 172 172 LEU N N 15 128.9 0.07 . 1 . . . . . . . . 6057 1 806 . 1 1 173 173 SER H H 1 8.18 0.01 . 1 . . . . . . . . 6057 1 807 . 1 1 173 173 SER C C 13 175.1 0.14 . 1 . . . . . . . . 6057 1 808 . 1 1 173 173 SER CA C 13 56.9 0.14 . 1 . . . . . . . . 6057 1 809 . 1 1 173 173 SER CB C 13 64.6 0.14 . 1 . . . . . . . . 6057 1 810 . 1 1 173 173 SER N N 15 116.5 0.07 . 1 . . . . . . . . 6057 1 811 . 1 1 174 174 GLN H H 1 9.19 0.01 . 1 . . . . . . . . 6057 1 812 . 1 1 174 174 GLN C C 13 178.3 0.14 . 1 . . . . . . . . 6057 1 813 . 1 1 174 174 GLN CA C 13 59.1 0.14 . 1 . . . . . . . . 6057 1 814 . 1 1 174 174 GLN CB C 13 27.3 0.14 . 1 . . . . . . . . 6057 1 815 . 1 1 174 174 GLN N N 15 120.6 0.07 . 1 . . . . . . . . 6057 1 816 . 1 1 175 175 ASP H H 1 8.40 0.01 . 1 . . . . . . . . 6057 1 817 . 1 1 175 175 ASP C C 13 177.6 0.14 . 1 . . . . . . . . 6057 1 818 . 1 1 175 175 ASP CA C 13 56.9 0.14 . 1 . . . . . . . . 6057 1 819 . 1 1 175 175 ASP CB C 13 40.6 0.14 . 1 . . . . . . . . 6057 1 820 . 1 1 175 175 ASP N N 15 117.6 0.07 . 1 . . . . . . . . 6057 1 821 . 1 1 176 176 ALA H H 1 7.77 0.01 . 1 . . . . . . . . 6057 1 822 . 1 1 176 176 ALA C C 13 180.3 0.14 . 1 . . . . . . . . 6057 1 823 . 1 1 176 176 ALA CA C 13 54.8 0.14 . 1 . . . . . . . . 6057 1 824 . 1 1 176 176 ALA CB C 13 17.9 0.14 . 1 . . . . . . . . 6057 1 825 . 1 1 176 176 ALA N N 15 124.0 0.07 . 1 . . . . . . . . 6057 1 826 . 1 1 177 177 TYR H H 1 8.17 0.01 . 1 . . . . . . . . 6057 1 827 . 1 1 177 177 TYR C C 13 179.0 0.14 . 1 . . . . . . . . 6057 1 828 . 1 1 177 177 TYR CA C 13 63.3 0.14 . 1 . . . . . . . . 6057 1 829 . 1 1 177 177 TYR CB C 13 38.0 0.14 . 1 . . . . . . . . 6057 1 830 . 1 1 177 177 TYR N N 15 117.7 0.07 . 1 . . . . . . . . 6057 1 831 . 1 1 178 178 ARG H H 1 8.24 0.01 . 1 . . . . . . . . 6057 1 832 . 1 1 178 178 ARG C C 13 178.4 0.14 . 1 . . . . . . . . 6057 1 833 . 1 1 178 178 ARG CA C 13 59.7 0.14 . 1 . . . . . . . . 6057 1 834 . 1 1 178 178 ARG CB C 13 29.1 0.14 . 1 . . . . . . . . 6057 1 835 . 1 1 178 178 ARG N N 15 119.6 0.07 . 1 . . . . . . . . 6057 1 836 . 1 1 179 179 ARG H H 1 8.42 0.01 . 1 . . . . . . . . 6057 1 837 . 1 1 179 179 ARG C C 13 179.7 0.14 . 1 . . . . . . . . 6057 1 838 . 1 1 179 179 ARG CA C 13 59.1 0.14 . 1 . . . . . . . . 6057 1 839 . 1 1 179 179 ARG CB C 13 29.1 0.14 . 1 . . . . . . . . 6057 1 840 . 1 1 179 179 ARG N N 15 119.4 0.07 . 1 . . . . . . . . 6057 1 841 . 1 1 180 180 ASN H H 1 8.19 0.01 . 1 . . . . . . . . 6057 1 842 . 1 1 180 180 ASN C C 13 177.4 0.14 . 1 . . . . . . . . 6057 1 843 . 1 1 180 180 ASN CA C 13 54.8 0.14 . 1 . . . . . . . . 6057 1 844 . 1 1 180 180 ASN CB C 13 37.0 0.14 . 1 . . . . . . . . 6057 1 845 . 1 1 180 180 ASN N N 15 118.2 0.07 . 1 . . . . . . . . 6057 1 846 . 1 1 181 181 SER H H 1 8.01 0.01 . 1 . . . . . . . . 6057 1 847 . 1 1 181 181 SER C C 13 175.5 0.14 . 1 . . . . . . . . 6057 1 848 . 1 1 181 181 SER CA C 13 61.8 0.14 . 1 . . . . . . . . 6057 1 849 . 1 1 181 181 SER CB C 13 63.0 0.14 . 1 . . . . . . . . 6057 1 850 . 1 1 181 181 SER N N 15 117.2 0.07 . 1 . . . . . . . . 6057 1 851 . 1 1 182 182 VAL H H 1 8.31 0.01 . 1 . . . . . . . . 6057 1 852 . 1 1 182 182 VAL C C 13 178.6 0.14 . 1 . . . . . . . . 6057 1 853 . 1 1 182 182 VAL CA C 13 66.1 0.14 . 1 . . . . . . . . 6057 1 854 . 1 1 182 182 VAL CB C 13 31.0 0.14 . 1 . . . . . . . . 6057 1 855 . 1 1 182 182 VAL N N 15 119.9 0.07 . 1 . . . . . . . . 6057 1 856 . 1 1 183 183 ARG H H 1 7.81 0.01 . 1 . . . . . . . . 6057 1 857 . 1 1 183 183 ARG C C 13 178.4 0.14 . 1 . . . . . . . . 6057 1 858 . 1 1 183 183 ARG CA C 13 58.6 0.14 . 1 . . . . . . . . 6057 1 859 . 1 1 183 183 ARG CB C 13 28.9 0.14 . 1 . . . . . . . . 6057 1 860 . 1 1 183 183 ARG N N 15 118.8 0.07 . 1 . . . . . . . . 6057 1 861 . 1 1 184 184 PHE H H 1 7.69 0.01 . 1 . . . . . . . . 6057 1 862 . 1 1 184 184 PHE C C 13 178.0 0.14 . 1 . . . . . . . . 6057 1 863 . 1 1 184 184 PHE CA C 13 61.0 0.14 . 1 . . . . . . . . 6057 1 864 . 1 1 184 184 PHE CB C 13 38.7 0.14 . 1 . . . . . . . . 6057 1 865 . 1 1 184 184 PHE N N 15 119.8 0.07 . 1 . . . . . . . . 6057 1 866 . 1 1 185 185 LEU H H 1 8.34 0.01 . 1 . . . . . . . . 6057 1 867 . 1 1 185 185 LEU C C 13 179.8 0.14 . 1 . . . . . . . . 6057 1 868 . 1 1 185 185 LEU CA C 13 57.0 0.14 . 1 . . . . . . . . 6057 1 869 . 1 1 185 185 LEU CB C 13 40.6 0.14 . 1 . . . . . . . . 6057 1 870 . 1 1 185 185 LEU N N 15 120.0 0.07 . 1 . . . . . . . . 6057 1 871 . 1 1 186 186 GLN H H 1 8.24 0.01 . 1 . . . . . . . . 6057 1 872 . 1 1 186 186 GLN C C 13 178.1 0.14 . 1 . . . . . . . . 6057 1 873 . 1 1 186 186 GLN CA C 13 57.8 0.14 . 1 . . . . . . . . 6057 1 874 . 1 1 186 186 GLN CB C 13 27.7 0.14 . 1 . . . . . . . . 6057 1 875 . 1 1 186 186 GLN N N 15 118.6 0.07 . 1 . . . . . . . . 6057 1 876 . 1 1 187 187 GLN H H 1 7.64 0.01 . 1 . . . . . . . . 6057 1 877 . 1 1 187 187 GLN C C 13 177.3 0.14 . 1 . . . . . . . . 6057 1 878 . 1 1 187 187 GLN CA C 13 56.9 0.14 . 1 . . . . . . . . 6057 1 879 . 1 1 187 187 GLN CB C 13 27.9 0.14 . 1 . . . . . . . . 6057 1 880 . 1 1 187 187 GLN N N 15 118.1 0.07 . 1 . . . . . . . . 6057 1 881 . 1 1 188 188 ARG H H 1 7.65 0.01 . 1 . . . . . . . . 6057 1 882 . 1 1 188 188 ARG C C 13 177.2 0.14 . 1 . . . . . . . . 6057 1 883 . 1 1 188 188 ARG CA C 13 56.8 0.14 . 1 . . . . . . . . 6057 1 884 . 1 1 188 188 ARG CB C 13 29.6 0.14 . 1 . . . . . . . . 6057 1 885 . 1 1 188 188 ARG N N 15 119.8 0.07 . 1 . . . . . . . . 6057 1 886 . 1 1 189 189 ARG H H 1 7.82 0.01 . 1 . . . . . . . . 6057 1 887 . 1 1 189 189 ARG C C 13 176.8 0.14 . 1 . . . . . . . . 6057 1 888 . 1 1 189 189 ARG CA C 13 56.5 0.14 . 1 . . . . . . . . 6057 1 889 . 1 1 189 189 ARG CB C 13 29.5 0.14 . 1 . . . . . . . . 6057 1 890 . 1 1 189 189 ARG N N 15 120.0 0.07 . 1 . . . . . . . . 6057 1 891 . 1 1 190 190 ARG H H 1 7.93 0.01 . 1 . . . . . . . . 6057 1 892 . 1 1 190 190 ARG C C 13 176.4 0.14 . 1 . . . . . . . . 6057 1 893 . 1 1 190 190 ARG CA C 13 56.2 0.14 . 1 . . . . . . . . 6057 1 894 . 1 1 190 190 ARG CB C 13 29.6 0.14 . 1 . . . . . . . . 6057 1 895 . 1 1 190 190 ARG N N 15 121.0 0.07 . 1 . . . . . . . . 6057 1 896 . 1 1 191 191 GLN H H 1 8.10 0.01 . 1 . . . . . . . . 6057 1 897 . 1 1 191 191 GLN C C 13 175.5 0.14 . 1 . . . . . . . . 6057 1 898 . 1 1 191 191 GLN CA C 13 55.4 0.14 . 1 . . . . . . . . 6057 1 899 . 1 1 191 191 GLN CB C 13 28.7 0.14 . 1 . . . . . . . . 6057 1 900 . 1 1 191 191 GLN N N 15 121.0 0.07 . 1 . . . . . . . . 6057 1 901 . 1 1 192 192 ALA H H 1 8.15 0.01 . 1 . . . . . . . . 6057 1 902 . 1 1 192 192 ALA C C 13 176.6 0.14 . 1 . . . . . . . . 6057 1 903 . 1 1 192 192 ALA CA C 13 52.2 0.14 . 1 . . . . . . . . 6057 1 904 . 1 1 192 192 ALA CB C 13 18.5 0.14 . 1 . . . . . . . . 6057 1 905 . 1 1 192 192 ALA N N 15 126.1 0.07 . 1 . . . . . . . . 6057 1 906 . 1 1 193 193 ARG H H 1 7.82 0.01 . 1 . . . . . . . . 6057 1 907 . 1 1 193 193 ARG CA C 13 57.0 0.14 . 1 . . . . . . . . 6057 1 908 . 1 1 193 193 ARG CB C 13 30.6 0.14 . 1 . . . . . . . . 6057 1 909 . 1 1 193 193 ARG N N 15 125.7 0.07 . 1 . . . . . . . . 6057 1 stop_ save_