data_26727 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26727 _Entry.Title ; 1H, 13C and 15N assignment for the C-terminal domain of human Doublecortin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-01-10 _Entry.Accession_date 2016-01-10 _Entry.Last_release_date 2016-07-14 _Entry.Original_release_date 2016-07-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Paola 'Di Lello' . . . . 26727 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26727 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 417 26727 '15N chemical shifts' 108 26727 '1H chemical shifts' 109 26727 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-01-11 2016-01-10 update BMRB 'update entry citation' 26727 1 . . 2016-07-14 2016-01-10 original author 'original release' 26727 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26727 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27226599 _Citation.Full_citation . _Citation.Title ; Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 291 _Citation.Journal_issue 31 _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 16292 _Citation.Page_last 16306 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Dominique Burger . . . . 26727 1 2 Martine Stihle . . . . 26727 1 3 Ashwani Sharma . . . . 26727 1 4 Paola 'Di Lello' . . . . 26727 1 5 Jorg Benz . . . . 26727 1 6 Brigitte D'Arcy . . . . 26727 1 7 Maja Debulpaep . . . . 26727 1 8 David Fry . . . . 26727 1 9 Walter Huber . . . . 26727 1 10 Thomas Kremer . . . . 26727 1 11 Toon Laeremans . . . . 26727 1 12 Hugues Matile . . . . 26727 1 13 Alfred Ross . . . . 26727 1 14 Arne Rufer . C. . . 26727 1 15 Guillaume Schoch . . . . 26727 1 16 Michel Steinmetz . O. . . 26727 1 17 Jan Steyaert . . . . 26727 1 18 Markus Rudolph . G. . . 26727 1 19 Ralf Thoma . . . . 26727 1 20 Armin Ruf . . . . 26727 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26727 _Assembly.ID 1 _Assembly.Name 'Doublecortin C-terminal domain monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details monomer _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Doublecortin C-terminal domain monomer' 1 $Doublecortin_C-terminal_domain A . yes native no no . . . 26727 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Doublecortin_C-terminal_domain _Entity.Sf_category entity _Entity.Sf_framecode Doublecortin_C-terminal_domain _Entity.Entry_ID 26727 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Doublecortin_C-terminal_domain _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 ; LVPRGSHMARENKDFVRPKL VTIIRSGVKPRKAVRVLLNK KTAHSFEQVLTDITEAIKLE TGVVKKLYTLDGKQVTCLHD FFGDDDVFIACGPEKFRYAQ DDFSLDENECRVMK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 243 LEU . 26727 1 2 244 VAL . 26727 1 3 245 PRO . 26727 1 4 246 ARG . 26727 1 5 247 GLY . 26727 1 6 248 SER . 26727 1 7 249 HIS . 26727 1 8 250 MET . 26727 1 9 251 ALA . 26727 1 10 252 ARG . 26727 1 11 253 GLU . 26727 1 12 254 ASN . 26727 1 13 255 LYS . 26727 1 14 256 ASP . 26727 1 15 257 PHE . 26727 1 16 258 VAL . 26727 1 17 259 ARG . 26727 1 18 260 PRO . 26727 1 19 261 LYS . 26727 1 20 262 LEU . 26727 1 21 263 VAL . 26727 1 22 264 THR . 26727 1 23 265 ILE . 26727 1 24 266 ILE . 26727 1 25 267 ARG . 26727 1 26 268 SER . 26727 1 27 269 GLY . 26727 1 28 270 VAL . 26727 1 29 271 LYS . 26727 1 30 272 PRO . 26727 1 31 273 ARG . 26727 1 32 274 LYS . 26727 1 33 275 ALA . 26727 1 34 276 VAL . 26727 1 35 277 ARG . 26727 1 36 278 VAL . 26727 1 37 279 LEU . 26727 1 38 280 LEU . 26727 1 39 281 ASN . 26727 1 40 282 LYS . 26727 1 41 283 LYS . 26727 1 42 284 THR . 26727 1 43 285 ALA . 26727 1 44 286 HIS . 26727 1 45 287 SER . 26727 1 46 288 PHE . 26727 1 47 289 GLU . 26727 1 48 290 GLN . 26727 1 49 291 VAL . 26727 1 50 292 LEU . 26727 1 51 293 THR . 26727 1 52 294 ASP . 26727 1 53 295 ILE . 26727 1 54 296 THR . 26727 1 55 297 GLU . 26727 1 56 298 ALA . 26727 1 57 299 ILE . 26727 1 58 300 LYS . 26727 1 59 301 LEU . 26727 1 60 302 GLU . 26727 1 61 303 THR . 26727 1 62 304 GLY . 26727 1 63 305 VAL . 26727 1 64 306 VAL . 26727 1 65 307 LYS . 26727 1 66 308 LYS . 26727 1 67 309 LEU . 26727 1 68 310 TYR . 26727 1 69 311 THR . 26727 1 70 312 LEU . 26727 1 71 313 ASP . 26727 1 72 314 GLY . 26727 1 73 315 LYS . 26727 1 74 316 GLN . 26727 1 75 317 VAL . 26727 1 76 318 THR . 26727 1 77 319 CYS . 26727 1 78 320 LEU . 26727 1 79 321 HIS . 26727 1 80 322 ASP . 26727 1 81 323 PHE . 26727 1 82 324 PHE . 26727 1 83 325 GLY . 26727 1 84 326 ASP . 26727 1 85 327 ASP . 26727 1 86 328 ASP . 26727 1 87 329 VAL . 26727 1 88 330 PHE . 26727 1 89 331 ILE . 26727 1 90 332 ALA . 26727 1 91 333 CYS . 26727 1 92 334 GLY . 26727 1 93 335 PRO . 26727 1 94 336 GLU . 26727 1 95 337 LYS . 26727 1 96 338 PHE . 26727 1 97 339 ARG . 26727 1 98 340 TYR . 26727 1 99 341 ALA . 26727 1 100 342 GLN . 26727 1 101 343 ASP . 26727 1 102 344 ASP . 26727 1 103 345 PHE . 26727 1 104 346 SER . 26727 1 105 347 LEU . 26727 1 106 348 ASP . 26727 1 107 349 GLU . 26727 1 108 350 ASN . 26727 1 109 351 GLU . 26727 1 110 352 CYS . 26727 1 111 353 ARG . 26727 1 112 354 VAL . 26727 1 113 355 MET . 26727 1 114 356 LYS . 26727 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 . LEU 1 1 26727 1 . VAL 2 2 26727 1 . PRO 3 3 26727 1 . ARG 4 4 26727 1 . GLY 5 5 26727 1 . SER 6 6 26727 1 . HIS 7 7 26727 1 . MET 8 8 26727 1 . ALA 9 9 26727 1 . ARG 10 10 26727 1 . GLU 11 11 26727 1 . ASN 12 12 26727 1 . LYS 13 13 26727 1 . ASP 14 14 26727 1 . PHE 15 15 26727 1 . VAL 16 16 26727 1 . ARG 17 17 26727 1 . PRO 18 18 26727 1 . LYS 19 19 26727 1 . LEU 20 20 26727 1 . VAL 21 21 26727 1 . THR 22 22 26727 1 . ILE 23 23 26727 1 . ILE 24 24 26727 1 . ARG 25 25 26727 1 . SER 26 26 26727 1 . GLY 27 27 26727 1 . VAL 28 28 26727 1 . LYS 29 29 26727 1 . PRO 30 30 26727 1 . ARG 31 31 26727 1 . LYS 32 32 26727 1 . ALA 33 33 26727 1 . VAL 34 34 26727 1 . ARG 35 35 26727 1 . VAL 36 36 26727 1 . LEU 37 37 26727 1 . LEU 38 38 26727 1 . ASN 39 39 26727 1 . LYS 40 40 26727 1 . LYS 41 41 26727 1 . THR 42 42 26727 1 . ALA 43 43 26727 1 . HIS 44 44 26727 1 . SER 45 45 26727 1 . PHE 46 46 26727 1 . GLU 47 47 26727 1 . GLN 48 48 26727 1 . VAL 49 49 26727 1 . LEU 50 50 26727 1 . THR 51 51 26727 1 . ASP 52 52 26727 1 . ILE 53 53 26727 1 . THR 54 54 26727 1 . GLU 55 55 26727 1 . ALA 56 56 26727 1 . ILE 57 57 26727 1 . LYS 58 58 26727 1 . LEU 59 59 26727 1 . GLU 60 60 26727 1 . THR 61 61 26727 1 . GLY 62 62 26727 1 . VAL 63 63 26727 1 . VAL 64 64 26727 1 . LYS 65 65 26727 1 . LYS 66 66 26727 1 . LEU 67 67 26727 1 . TYR 68 68 26727 1 . THR 69 69 26727 1 . LEU 70 70 26727 1 . ASP 71 71 26727 1 . GLY 72 72 26727 1 . LYS 73 73 26727 1 . GLN 74 74 26727 1 . VAL 75 75 26727 1 . THR 76 76 26727 1 . CYS 77 77 26727 1 . LEU 78 78 26727 1 . HIS 79 79 26727 1 . ASP 80 80 26727 1 . PHE 81 81 26727 1 . PHE 82 82 26727 1 . GLY 83 83 26727 1 . ASP 84 84 26727 1 . ASP 85 85 26727 1 . ASP 86 86 26727 1 . VAL 87 87 26727 1 . PHE 88 88 26727 1 . ILE 89 89 26727 1 . ALA 90 90 26727 1 . CYS 91 91 26727 1 . GLY 92 92 26727 1 . PRO 93 93 26727 1 . GLU 94 94 26727 1 . LYS 95 95 26727 1 . PHE 96 96 26727 1 . ARG 97 97 26727 1 . TYR 98 98 26727 1 . ALA 99 99 26727 1 . GLN 100 100 26727 1 . ASP 101 101 26727 1 . ASP 102 102 26727 1 . PHE 103 103 26727 1 . SER 104 104 26727 1 . LEU 105 105 26727 1 . ASP 106 106 26727 1 . GLU 107 107 26727 1 . ASN 108 108 26727 1 . GLU 109 109 26727 1 . CYS 110 110 26727 1 . ARG 111 111 26727 1 . VAL 112 112 26727 1 . MET 113 113 26727 1 . LYS 114 114 26727 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 26727 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Doublecortin_C-terminal_domain . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26727 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 26727 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Doublecortin_C-terminal_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pER2b . . . 26727 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26727 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Doublecortin C-terminal domain' '[U-99% 13C; U-99% 15N]' . . 1 $Doublecortin_C-terminal_domain . . 0.5 . . mM . . . . 26727 1 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 26727 1 3 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 26727 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 26727 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 26727 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26727 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 26727 1 pH 4.0 . pH 26727 1 pressure 1 . atm 26727 1 temperature 300 . K 26727 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 26727 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 26727 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26727 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26727 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26727 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26727 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 26727 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26727 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26727 _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 INOVA . 600 . . . 26727 1 2 spectrometer_2 Bruker Avance . 600 . . . 26727 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 26727 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26727 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26727 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26727 1 4 '3D (HB)CBCA(CO)NNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26727 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26727 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26727 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26727 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26727 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26727 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . 26727 1 H 1 DSS 'methyl protons' . . . . ppm 0 external indirect 1 . . . . . 26727 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 26727 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26727 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26727 1 2 '3D HNCO' . . . 26727 1 3 '3D HNCACB' . . . 26727 1 4 '3D (HB)CBCA(CO)NNH' . . . 26727 1 5 '3D C(CO)NH' . . . 26727 1 6 '3D HNCA' . . . 26727 1 7 '3D HN(CO)CA' . . . 26727 1 8 '3D HN(CA)CO' . . . 26727 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 1 1 LEU C C 13 173.500 0.1 . 1 . . . . 243 L C . 26727 1 2 . 1 1 1 1 LEU CA C 13 54.800 0.1 . 1 . . . . 243 L CA . 26727 1 3 . 1 1 1 1 LEU CB C 13 43.000 0.1 . 1 . . . . 243 L CB . 26727 1 4 . 1 1 1 1 LEU CG C 13 26.800 0.1 . 1 . . . . 243 L CG . 26727 1 5 . 1 1 1 1 LEU CD1 C 13 24.500 0.1 . 2 . . . . 243 L CD1 . 26727 1 6 . 1 1 1 1 LEU CD2 C 13 24.500 0.1 . 2 . . . . 243 L CD2 . 26727 1 7 . 1 1 2 2 VAL H H 1 8.560 0.01 . 1 . . . . 244 V H . 26727 1 8 . 1 1 2 2 VAL C C 13 174.370 0.1 . 1 . . . . 244 V C . 26727 1 9 . 1 1 2 2 VAL CA C 13 60.300 0.1 . 1 . . . . 244 V CA . 26727 1 10 . 1 1 2 2 VAL CB C 13 32.900 0.1 . 1 . . . . 244 V CB . 26727 1 11 . 1 1 2 2 VAL N N 15 124.800 0.1 . 1 . . . . 244 V N . 26727 1 12 . 1 1 3 3 PRO C C 13 177.200 0.1 . 1 . . . . 245 P C . 26727 1 13 . 1 1 3 3 PRO CA C 13 63.300 0.1 . 1 . . . . 245 P CA . 26727 1 14 . 1 1 3 3 PRO CB C 13 32.400 0.1 . 1 . . . . 245 P CB . 26727 1 15 . 1 1 3 3 PRO CG C 13 27.800 0.1 . 1 . . . . 245 P CG . 26727 1 16 . 1 1 3 3 PRO CD C 13 51.400 0.1 . 1 . . . . 245 P CD . 26727 1 17 . 1 1 4 4 ARG H H 1 8.460 0.01 . 1 . . . . 246 R H . 26727 1 18 . 1 1 4 4 ARG C C 13 177.400 0.1 . 1 . . . . 246 R C . 26727 1 19 . 1 1 4 4 ARG CA C 13 56.700 0.1 . 1 . . . . 246 R CA . 26727 1 20 . 1 1 4 4 ARG CB C 13 31.200 0.1 . 1 . . . . 246 R CB . 26727 1 21 . 1 1 4 4 ARG CG C 13 27.100 0.1 . 1 . . . . 246 R CG . 26727 1 22 . 1 1 4 4 ARG CD C 13 43.700 0.1 . 1 . . . . 246 R CD . 26727 1 23 . 1 1 4 4 ARG N N 15 122.200 0.1 . 1 . . . . 246 R N . 26727 1 24 . 1 1 5 5 GLY H H 1 8.460 0.01 . 1 . . . . 247 G H . 26727 1 25 . 1 1 5 5 GLY C C 13 174.400 0.1 . 1 . . . . 247 G C . 26727 1 26 . 1 1 5 5 GLY CA C 13 45.500 0.1 . 1 . . . . 247 G CA . 26727 1 27 . 1 1 5 5 GLY N N 15 110.400 0.1 . 1 . . . . 247 G N . 26727 1 28 . 1 1 6 6 SER H H 1 8.160 0.01 . 1 . . . . 248 S H . 26727 1 29 . 1 1 6 6 SER C C 13 174.800 0.1 . 1 . . . . 248 S C . 26727 1 30 . 1 1 6 6 SER CA C 13 58.600 0.1 . 1 . . . . 248 S CA . 26727 1 31 . 1 1 6 6 SER CB C 13 64.200 0.1 . 1 . . . . 248 S CB . 26727 1 32 . 1 1 6 6 SER N N 15 115.400 0.1 . 1 . . . . 248 S N . 26727 1 33 . 1 1 7 7 HIS H H 1 8.620 0.01 . 1 . . . . 249 H H . 26727 1 34 . 1 1 7 7 HIS C C 13 174.570 0.1 . 1 . . . . 249 H C . 26727 1 35 . 1 1 7 7 HIS CA C 13 55.600 0.1 . 1 . . . . 249 H CA . 26727 1 36 . 1 1 7 7 HIS CB C 13 29.200 0.1 . 1 . . . . 249 H CB . 26727 1 37 . 1 1 7 7 HIS N N 15 120.400 0.1 . 1 . . . . 249 H N . 26727 1 38 . 1 1 8 8 MET H H 1 8.340 0.01 . 1 . . . . 250 M H . 26727 1 39 . 1 1 8 8 MET C C 13 176.090 0.1 . 1 . . . . 250 M C . 26727 1 40 . 1 1 8 8 MET CA C 13 55.700 0.1 . 1 . . . . 250 M CA . 26727 1 41 . 1 1 8 8 MET CB C 13 33.400 0.1 . 1 . . . . 250 M CB . 26727 1 42 . 1 1 8 8 MET CG C 13 32.300 0.1 . 1 . . . . 250 M CG . 26727 1 43 . 1 1 8 8 MET N N 15 121.700 0.1 . 1 . . . . 250 M N . 26727 1 44 . 1 1 9 9 ALA H H 1 8.370 0.01 . 1 . . . . 251 A H . 26727 1 45 . 1 1 9 9 ALA C C 13 177.880 0.1 . 1 . . . . 251 A C . 26727 1 46 . 1 1 9 9 ALA CA C 13 52.900 0.1 . 1 . . . . 251 A CA . 26727 1 47 . 1 1 9 9 ALA CB C 13 19.600 0.1 . 1 . . . . 251 A CB . 26727 1 48 . 1 1 9 9 ALA N N 15 126.000 0.1 . 1 . . . . 251 A N . 26727 1 49 . 1 1 10 10 ARG H H 1 8.300 0.01 . 1 . . . . 252 R H . 26727 1 50 . 1 1 10 10 ARG C C 13 176.530 0.1 . 1 . . . . 252 R C . 26727 1 51 . 1 1 10 10 ARG CA C 13 56.400 0.1 . 1 . . . . 252 R CA . 26727 1 52 . 1 1 10 10 ARG CB C 13 31.200 0.1 . 1 . . . . 252 R CB . 26727 1 53 . 1 1 10 10 ARG CG C 13 27.200 0.1 . 1 . . . . 252 R CG . 26727 1 54 . 1 1 10 10 ARG CD C 13 43.700 0.1 . 1 . . . . 252 R CD . 26727 1 55 . 1 1 10 10 ARG N N 15 120.500 0.1 . 1 . . . . 252 R N . 26727 1 56 . 1 1 11 11 GLU H H 1 8.410 0.01 . 1 . . . . 253 E H . 26727 1 57 . 1 1 11 11 GLU C C 13 176.210 0.1 . 1 . . . . 253 E C . 26727 1 58 . 1 1 11 11 GLU CA C 13 56.400 0.1 . 1 . . . . 253 E CA . 26727 1 59 . 1 1 11 11 GLU CB C 13 30.200 0.1 . 1 . . . . 253 E CB . 26727 1 60 . 1 1 11 11 GLU CG C 13 35.100 0.1 . 1 . . . . 253 E CG . 26727 1 61 . 1 1 11 11 GLU N N 15 121.900 0.1 . 1 . . . . 253 E N . 26727 1 62 . 1 1 12 12 ASN H H 1 8.520 0.01 . 1 . . . . 254 N H . 26727 1 63 . 1 1 12 12 ASN C C 13 175.570 0.1 . 1 . . . . 254 N C . 26727 1 64 . 1 1 12 12 ASN CA C 13 53.600 0.1 . 1 . . . . 254 N CA . 26727 1 65 . 1 1 12 12 ASN CB C 13 39.200 0.1 . 1 . . . . 254 N CB . 26727 1 66 . 1 1 12 12 ASN N N 15 121.100 0.1 . 1 . . . . 254 N N . 26727 1 67 . 1 1 13 13 LYS H H 1 8.350 0.01 . 1 . . . . 255 K H . 26727 1 68 . 1 1 13 13 LYS C C 13 176.620 0.1 . 1 . . . . 255 K C . 26727 1 69 . 1 1 13 13 LYS CA C 13 56.600 0.1 . 1 . . . . 255 K CA . 26727 1 70 . 1 1 13 13 LYS CB C 13 33.000 0.1 . 1 . . . . 255 K CB . 26727 1 71 . 1 1 13 13 LYS CG C 13 24.900 0.1 . 1 . . . . 255 K CG . 26727 1 72 . 1 1 13 13 LYS CD C 13 29.500 0.1 . 1 . . . . 255 K CD . 26727 1 73 . 1 1 13 13 LYS CE C 13 42.500 0.1 . 1 . . . . 255 K CE . 26727 1 74 . 1 1 13 13 LYS N N 15 122.000 0.1 . 1 . . . . 255 K N . 26727 1 75 . 1 1 14 14 ASP H H 1 8.250 0.01 . 1 . . . . 256 D H . 26727 1 76 . 1 1 14 14 ASP C C 13 175.760 0.1 . 1 . . . . 256 D C . 26727 1 77 . 1 1 14 14 ASP CA C 13 54.600 0.1 . 1 . . . . 256 D CA . 26727 1 78 . 1 1 14 14 ASP CB C 13 40.600 0.1 . 1 . . . . 256 D CB . 26727 1 79 . 1 1 14 14 ASP N N 15 120.900 0.1 . 1 . . . . 256 D N . 26727 1 80 . 1 1 15 15 PHE H H 1 7.300 0.01 . 1 . . . . 257 F H . 26727 1 81 . 1 1 15 15 PHE C C 13 175.360 0.1 . 1 . . . . 257 F C . 26727 1 82 . 1 1 15 15 PHE CA C 13 57.100 0.1 . 1 . . . . 257 F CA . 26727 1 83 . 1 1 15 15 PHE CB C 13 39.400 0.1 . 1 . . . . 257 F CB . 26727 1 84 . 1 1 15 15 PHE N N 15 117.600 0.1 . 1 . . . . 257 F N . 26727 1 85 . 1 1 16 16 VAL H H 1 7.380 0.01 . 1 . . . . 258 V H . 26727 1 86 . 1 1 16 16 VAL C C 13 174.900 0.1 . 1 . . . . 258 V C . 26727 1 87 . 1 1 16 16 VAL CA C 13 63.900 0.1 . 1 . . . . 258 V CA . 26727 1 88 . 1 1 16 16 VAL CB C 13 31.600 0.1 . 1 . . . . 258 V CB . 26727 1 89 . 1 1 16 16 VAL CG1 C 13 21.500 0.1 . 2 . . . . 258 V CG1 . 26727 1 90 . 1 1 16 16 VAL CG2 C 13 21.200 0.1 . 2 . . . . 258 V CG2 . 26727 1 91 . 1 1 16 16 VAL N N 15 123.300 0.1 . 1 . . . . 258 V N . 26727 1 92 . 1 1 17 17 ARG H H 1 7.300 0.01 . 1 . . . . 259 R H . 26727 1 93 . 1 1 17 17 ARG C C 13 172.640 0.1 . 1 . . . . 259 R C . 26727 1 94 . 1 1 17 17 ARG CA C 13 53.300 0.1 . 1 . . . . 259 R CA . 26727 1 95 . 1 1 17 17 ARG CB C 13 31.000 0.1 . 1 . . . . 259 R CB . 26727 1 96 . 1 1 17 17 ARG N N 15 126.900 0.1 . 1 . . . . 259 R N . 26727 1 97 . 1 1 18 18 PRO C C 13 177.480 0.1 . 1 . . . . 260 P C . 26727 1 98 . 1 1 18 18 PRO CA C 13 63.500 0.1 . 1 . . . . 260 P CA . 26727 1 99 . 1 1 18 18 PRO CB C 13 32.200 0.1 . 1 . . . . 260 P CB . 26727 1 100 . 1 1 18 18 PRO CD C 13 50.600 0.1 . 1 . . . . 260 P CD . 26727 1 101 . 1 1 19 19 LYS H H 1 9.110 0.01 . 1 . . . . 261 K H . 26727 1 102 . 1 1 19 19 LYS C C 13 174.150 0.1 . 1 . . . . 261 K C . 26727 1 103 . 1 1 19 19 LYS CA C 13 56.500 0.1 . 1 . . . . 261 K CA . 26727 1 104 . 1 1 19 19 LYS CB C 13 36.700 0.1 . 1 . . . . 261 K CB . 26727 1 105 . 1 1 19 19 LYS N N 15 124.900 0.1 . 1 . . . . 261 K N . 26727 1 106 . 1 1 20 20 LEU H H 1 8.630 0.01 . 1 . . . . 262 L H . 26727 1 107 . 1 1 20 20 LEU C C 13 177.310 0.1 . 1 . . . . 262 L C . 26727 1 108 . 1 1 20 20 LEU CA C 13 54.500 0.1 . 1 . . . . 262 L CA . 26727 1 109 . 1 1 20 20 LEU CB C 13 43.500 0.1 . 1 . . . . 262 L CB . 26727 1 110 . 1 1 20 20 LEU CD1 C 13 25.200 0.1 . 2 . . . . 262 L CD1 . 26727 1 111 . 1 1 20 20 LEU CD2 C 13 25.200 0.1 . 2 . . . . 262 L CD2 . 26727 1 112 . 1 1 20 20 LEU N N 15 128.700 0.1 . 1 . . . . 262 L N . 26727 1 113 . 1 1 21 21 VAL H H 1 8.950 0.01 . 1 . . . . 263 V H . 26727 1 114 . 1 1 21 21 VAL C C 13 174.630 0.1 . 1 . . . . 263 V C . 26727 1 115 . 1 1 21 21 VAL CA C 13 59.600 0.1 . 1 . . . . 263 V CA . 26727 1 116 . 1 1 21 21 VAL CB C 13 34.800 0.1 . 1 . . . . 263 V CB . 26727 1 117 . 1 1 21 21 VAL CG1 C 13 23.200 0.1 . 2 . . . . 263 V CG1 . 26727 1 118 . 1 1 21 21 VAL CG2 C 13 18.900 0.1 . 2 . . . . 263 V CG2 . 26727 1 119 . 1 1 21 21 VAL N N 15 119.400 0.1 . 1 . . . . 263 V N . 26727 1 120 . 1 1 22 22 THR H H 1 8.830 0.01 . 1 . . . . 264 T H . 26727 1 121 . 1 1 22 22 THR C C 13 173.040 0.1 . 1 . . . . 264 T C . 26727 1 122 . 1 1 22 22 THR CA C 13 62.700 0.1 . 1 . . . . 264 T CA . 26727 1 123 . 1 1 22 22 THR CB C 13 70.500 0.1 . 1 . . . . 264 T CB . 26727 1 124 . 1 1 22 22 THR CG2 C 13 22.000 0.1 . 1 . . . . 264 T CG2 . 26727 1 125 . 1 1 22 22 THR N N 15 119.600 0.1 . 1 . . . . 264 T N . 26727 1 126 . 1 1 23 23 ILE H H 1 9.460 0.01 . 1 . . . . 265 I H . 26727 1 127 . 1 1 23 23 ILE C C 13 175.360 0.1 . 1 . . . . 265 I C . 26727 1 128 . 1 1 23 23 ILE CA C 13 57.700 0.1 . 1 . . . . 265 I CA . 26727 1 129 . 1 1 23 23 ILE CB C 13 38.000 0.1 . 1 . . . . 265 I CB . 26727 1 130 . 1 1 23 23 ILE N N 15 126.800 0.1 . 1 . . . . 265 I N . 26727 1 131 . 1 1 24 24 ILE H H 1 9.130 0.01 . 1 . . . . 266 I H . 26727 1 132 . 1 1 24 24 ILE C C 13 175.920 0.1 . 1 . . . . 266 I C . 26727 1 133 . 1 1 24 24 ILE CA C 13 59.900 0.1 . 1 . . . . 266 I CA . 26727 1 134 . 1 1 24 24 ILE CB C 13 40.900 0.1 . 1 . . . . 266 I CB . 26727 1 135 . 1 1 24 24 ILE N N 15 126.500 0.1 . 1 . . . . 266 I N . 26727 1 136 . 1 1 25 25 ARG H H 1 8.740 0.01 . 1 . . . . 267 R H . 26727 1 137 . 1 1 25 25 ARG C C 13 175.910 0.1 . 1 . . . . 267 R C . 26727 1 138 . 1 1 25 25 ARG CA C 13 55.900 0.1 . 1 . . . . 267 R CA . 26727 1 139 . 1 1 25 25 ARG CB C 13 31.400 0.1 . 1 . . . . 267 R CB . 26727 1 140 . 1 1 25 25 ARG N N 15 126.900 0.1 . 1 . . . . 267 R N . 26727 1 141 . 1 1 26 26 SER H H 1 8.450 0.01 . 1 . . . . 268 S H . 26727 1 142 . 1 1 26 26 SER C C 13 175.670 0.1 . 1 . . . . 268 S C . 26727 1 143 . 1 1 26 26 SER CA C 13 59.400 0.1 . 1 . . . . 268 S CA . 26727 1 144 . 1 1 26 26 SER CB C 13 64.400 0.1 . 1 . . . . 268 S CB . 26727 1 145 . 1 1 26 26 SER N N 15 121.300 0.1 . 1 . . . . 268 S N . 26727 1 146 . 1 1 27 27 GLY H H 1 8.610 0.01 . 1 . . . . 269 G H . 26727 1 147 . 1 1 27 27 GLY C C 13 173.770 0.1 . 1 . . . . 269 G C . 26727 1 148 . 1 1 27 27 GLY CA C 13 46.200 0.1 . 1 . . . . 269 G CA . 26727 1 149 . 1 1 27 27 GLY N N 15 111.400 0.1 . 1 . . . . 269 G N . 26727 1 150 . 1 1 28 28 VAL H H 1 7.320 0.01 . 1 . . . . 270 V H . 26727 1 151 . 1 1 28 28 VAL C C 13 175.020 0.1 . 1 . . . . 270 V C . 26727 1 152 . 1 1 28 28 VAL CA C 13 61.500 0.1 . 1 . . . . 270 V CA . 26727 1 153 . 1 1 28 28 VAL CB C 13 34.100 0.1 . 1 . . . . 270 V CB . 26727 1 154 . 1 1 28 28 VAL CG1 C 13 21.700 0.1 . 2 . . . . 270 V CG1 . 26727 1 155 . 1 1 28 28 VAL CG2 C 13 20.700 0.1 . 2 . . . . 270 V CG2 . 26727 1 156 . 1 1 28 28 VAL N N 15 116.900 0.1 . 1 . . . . 270 V N . 26727 1 157 . 1 1 29 29 LYS H H 1 8.320 0.01 . 1 . . . . 271 K H . 26727 1 158 . 1 1 29 29 LYS C C 13 175.110 0.1 . 1 . . . . 271 K C . 26727 1 159 . 1 1 29 29 LYS CA C 13 54.400 0.1 . 1 . . . . 271 K CA . 26727 1 160 . 1 1 29 29 LYS CB C 13 34.300 0.1 . 1 . . . . 271 K CB . 26727 1 161 . 1 1 29 29 LYS N N 15 124.500 0.1 . 1 . . . . 271 K N . 26727 1 162 . 1 1 30 30 PRO C C 13 176.020 0.1 . 1 . . . . 272 P C . 26727 1 163 . 1 1 30 30 PRO CA C 13 62.700 0.1 . 1 . . . . 272 P CA . 26727 1 164 . 1 1 30 30 PRO CB C 13 34.700 0.1 . 1 . . . . 272 P CB . 26727 1 165 . 1 1 31 31 ARG H H 1 8.690 0.01 . 1 . . . . 273 R H . 26727 1 166 . 1 1 31 31 ARG C C 13 176.230 0.1 . 1 . . . . 273 R C . 26727 1 167 . 1 1 31 31 ARG CA C 13 57.000 0.1 . 1 . . . . 273 R CA . 26727 1 168 . 1 1 31 31 ARG CB C 13 31.100 0.1 . 1 . . . . 273 R CB . 26727 1 169 . 1 1 31 31 ARG CD C 13 44.000 0.1 . 1 . . . . 273 R CD . 26727 1 170 . 1 1 31 31 ARG N N 15 122.200 0.1 . 1 . . . . 273 R N . 26727 1 171 . 1 1 32 32 LYS H H 1 8.330 0.01 . 1 . . . . 274 K H . 26727 1 172 . 1 1 32 32 LYS C C 13 174.200 0.1 . 1 . . . . 274 K C . 26727 1 173 . 1 1 32 32 LYS CA C 13 55.600 0.1 . 1 . . . . 274 K CA . 26727 1 174 . 1 1 32 32 LYS CB C 13 34.700 0.1 . 1 . . . . 274 K CB . 26727 1 175 . 1 1 32 32 LYS CE C 13 42.600 0.1 . 1 . . . . 274 K CE . 26727 1 176 . 1 1 32 32 LYS N N 15 125.500 0.1 . 1 . . . . 274 K N . 26727 1 177 . 1 1 33 33 ALA H H 1 8.490 0.01 . 1 . . . . 275 A H . 26727 1 178 . 1 1 33 33 ALA C C 13 177.130 0.1 . 1 . . . . 275 A C . 26727 1 179 . 1 1 33 33 ALA CA C 13 50.800 0.1 . 1 . . . . 275 A CA . 26727 1 180 . 1 1 33 33 ALA CB C 13 22.400 0.1 . 1 . . . . 275 A CB . 26727 1 181 . 1 1 33 33 ALA N N 15 127.300 0.1 . 1 . . . . 275 A N . 26727 1 182 . 1 1 34 34 VAL H H 1 8.880 0.01 . 1 . . . . 276 V H . 26727 1 183 . 1 1 34 34 VAL C C 13 174.180 0.1 . 1 . . . . 276 V C . 26727 1 184 . 1 1 34 34 VAL CA C 13 60.300 0.1 . 1 . . . . 276 V CA . 26727 1 185 . 1 1 34 34 VAL CB C 13 35.600 0.1 . 1 . . . . 276 V CB . 26727 1 186 . 1 1 34 34 VAL CG1 C 13 21.700 0.1 . 2 . . . . 276 V CG1 . 26727 1 187 . 1 1 34 34 VAL CG2 C 13 20.500 0.1 . 2 . . . . 276 V CG2 . 26727 1 188 . 1 1 34 34 VAL N N 15 118.200 0.1 . 1 . . . . 276 V N . 26727 1 189 . 1 1 35 35 ARG H H 1 8.550 0.01 . 1 . . . . 277 R H . 26727 1 190 . 1 1 35 35 ARG C C 13 176.460 0.1 . 1 . . . . 277 R C . 26727 1 191 . 1 1 35 35 ARG CA C 13 55.000 0.1 . 1 . . . . 277 R CA . 26727 1 192 . 1 1 35 35 ARG CB C 13 32.100 0.1 . 1 . . . . 277 R CB . 26727 1 193 . 1 1 35 35 ARG CD C 13 44.000 0.1 . 1 . . . . 277 R CD . 26727 1 194 . 1 1 35 35 ARG N N 15 123.500 0.1 . 1 . . . . 277 R N . 26727 1 195 . 1 1 36 36 VAL H H 1 9.000 0.01 . 1 . . . . 278 V H . 26727 1 196 . 1 1 36 36 VAL C C 13 173.720 0.1 . 1 . . . . 278 V C . 26727 1 197 . 1 1 36 36 VAL CA C 13 61.000 0.1 . 1 . . . . 278 V CA . 26727 1 198 . 1 1 36 36 VAL CB C 13 35.900 0.1 . 1 . . . . 278 V CB . 26727 1 199 . 1 1 36 36 VAL CG1 C 13 21.600 0.1 . 2 . . . . 278 V CG1 . 26727 1 200 . 1 1 36 36 VAL CG2 C 13 21.600 0.1 . 2 . . . . 278 V CG2 . 26727 1 201 . 1 1 36 36 VAL N N 15 122.500 0.1 . 1 . . . . 278 V N . 26727 1 202 . 1 1 37 37 LEU H H 1 8.380 0.01 . 1 . . . . 279 L H . 26727 1 203 . 1 1 37 37 LEU C C 13 176.010 0.1 . 1 . . . . 279 L C . 26727 1 204 . 1 1 37 37 LEU CA C 13 54.700 0.1 . 1 . . . . 279 L CA . 26727 1 205 . 1 1 37 37 LEU CB C 13 42.800 0.1 . 1 . . . . 279 L CB . 26727 1 206 . 1 1 37 37 LEU CD1 C 13 23.300 0.1 . 2 . . . . 279 L CD1 . 26727 1 207 . 1 1 37 37 LEU CD2 C 13 23.300 0.1 . 2 . . . . 279 L CD2 . 26727 1 208 . 1 1 37 37 LEU N N 15 127.900 0.1 . 1 . . . . 279 L N . 26727 1 209 . 1 1 38 38 LEU H H 1 9.190 0.01 . 1 . . . . 280 L H . 26727 1 210 . 1 1 38 38 LEU C C 13 174.460 0.1 . 1 . . . . 280 L C . 26727 1 211 . 1 1 38 38 LEU CA C 13 53.600 0.1 . 1 . . . . 280 L CA . 26727 1 212 . 1 1 38 38 LEU CB C 13 42.900 0.1 . 1 . . . . 280 L CB . 26727 1 213 . 1 1 38 38 LEU CG C 13 27.100 0.1 . 1 . . . . 280 L CG . 26727 1 214 . 1 1 38 38 LEU CD1 C 13 23.700 0.1 . 2 . . . . 280 L CD1 . 26727 1 215 . 1 1 38 38 LEU CD2 C 13 23.700 0.1 . 2 . . . . 280 L CD2 . 26727 1 216 . 1 1 38 38 LEU N N 15 128.900 0.1 . 1 . . . . 280 L N . 26727 1 217 . 1 1 39 39 ASN H H 1 7.960 0.01 . 1 . . . . 281 N H . 26727 1 218 . 1 1 39 39 ASN C C 13 174.870 0.1 . 1 . . . . 281 N C . 26727 1 219 . 1 1 39 39 ASN CA C 13 52.300 0.1 . 1 . . . . 281 N CA . 26727 1 220 . 1 1 39 39 ASN CB C 13 39.000 0.1 . 1 . . . . 281 N CB . 26727 1 221 . 1 1 39 39 ASN N N 15 118.500 0.1 . 1 . . . . 281 N N . 26727 1 222 . 1 1 40 40 LYS H H 1 8.710 0.01 . 1 . . . . 282 K H . 26727 1 223 . 1 1 40 40 LYS C C 13 177.820 0.1 . 1 . . . . 282 K C . 26727 1 224 . 1 1 40 40 LYS CA C 13 59.900 0.1 . 1 . . . . 282 K CA . 26727 1 225 . 1 1 40 40 LYS CB C 13 32.600 0.1 . 1 . . . . 282 K CB . 26727 1 226 . 1 1 40 40 LYS CD C 13 25.800 0.1 . 1 . . . . 282 K CD . 26727 1 227 . 1 1 40 40 LYS CE C 13 42.400 0.1 . 1 . . . . 282 K CE . 26727 1 228 . 1 1 40 40 LYS N N 15 118.000 0.1 . 1 . . . . 282 K N . 26727 1 229 . 1 1 41 41 LYS H H 1 7.910 0.01 . 1 . . . . 283 K H . 26727 1 230 . 1 1 41 41 LYS C C 13 178.710 0.1 . 1 . . . . 283 K C . 26727 1 231 . 1 1 41 41 LYS CA C 13 58.500 0.1 . 1 . . . . 283 K CA . 26727 1 232 . 1 1 41 41 LYS CB C 13 33.100 0.1 . 1 . . . . 283 K CB . 26727 1 233 . 1 1 41 41 LYS CD C 13 25.600 0.1 . 1 . . . . 283 K CD . 26727 1 234 . 1 1 41 41 LYS CE C 13 42.300 0.1 . 1 . . . . 283 K CE . 26727 1 235 . 1 1 41 41 LYS N N 15 116.500 0.1 . 1 . . . . 283 K N . 26727 1 236 . 1 1 42 42 THR H H 1 7.850 0.01 . 1 . . . . 284 T H . 26727 1 237 . 1 1 42 42 THR C C 13 175.200 0.1 . 1 . . . . 284 T C . 26727 1 238 . 1 1 42 42 THR CA C 13 61.600 0.1 . 1 . . . . 284 T CA . 26727 1 239 . 1 1 42 42 THR CB C 13 70.100 0.1 . 1 . . . . 284 T CB . 26727 1 240 . 1 1 42 42 THR CG2 C 13 22.100 0.1 . 1 . . . . 284 T CG2 . 26727 1 241 . 1 1 42 42 THR N N 15 108.100 0.1 . 1 . . . . 284 T N . 26727 1 242 . 1 1 43 43 ALA H H 1 7.900 0.01 . 1 . . . . 285 A H . 26727 1 243 . 1 1 43 43 ALA C C 13 175.080 0.1 . 1 . . . . 285 A C . 26727 1 244 . 1 1 43 43 ALA CA C 13 50.900 0.1 . 1 . . . . 285 A CA . 26727 1 245 . 1 1 43 43 ALA CB C 13 19.100 0.1 . 1 . . . . 285 A CB . 26727 1 246 . 1 1 43 43 ALA N N 15 125.600 0.1 . 1 . . . . 285 A N . 26727 1 247 . 1 1 44 44 HIS H H 1 8.680 0.01 . 1 . . . . 286 H H . 26727 1 248 . 1 1 44 44 HIS C C 13 175.150 0.1 . 1 . . . . 286 H C . 26727 1 249 . 1 1 44 44 HIS CA C 13 57.300 0.1 . 1 . . . . 286 H CA . 26727 1 250 . 1 1 44 44 HIS CB C 13 29.200 0.1 . 1 . . . . 286 H CB . 26727 1 251 . 1 1 44 44 HIS N N 15 115.900 0.1 . 1 . . . . 286 H N . 26727 1 252 . 1 1 45 45 SER H H 1 7.730 0.01 . 1 . . . . 287 S H . 26727 1 253 . 1 1 45 45 SER C C 13 173.940 0.1 . 1 . . . . 287 S C . 26727 1 254 . 1 1 45 45 SER CA C 13 56.800 0.1 . 1 . . . . 287 S CA . 26727 1 255 . 1 1 45 45 SER CB C 13 66.700 0.1 . 1 . . . . 287 S CB . 26727 1 256 . 1 1 45 45 SER N N 15 109.800 0.1 . 1 . . . . 287 S N . 26727 1 257 . 1 1 46 46 PHE H H 1 9.630 0.01 . 1 . . . . 288 F H . 26727 1 258 . 1 1 46 46 PHE C C 13 176.320 0.1 . 1 . . . . 288 F C . 26727 1 259 . 1 1 46 46 PHE CA C 13 62.200 0.1 . 1 . . . . 288 F CA . 26727 1 260 . 1 1 46 46 PHE CB C 13 40.000 0.1 . 1 . . . . 288 F CB . 26727 1 261 . 1 1 46 46 PHE N N 15 124.400 0.1 . 1 . . . . 288 F N . 26727 1 262 . 1 1 47 47 GLU H H 1 9.000 0.01 . 1 . . . . 289 E H . 26727 1 263 . 1 1 47 47 GLU C C 13 179.070 0.1 . 1 . . . . 289 E C . 26727 1 264 . 1 1 47 47 GLU CA C 13 60.300 0.1 . 1 . . . . 289 E CA . 26727 1 265 . 1 1 47 47 GLU CB C 13 28.500 0.1 . 1 . . . . 289 E CB . 26727 1 266 . 1 1 47 47 GLU CG C 13 35.900 0.1 . 1 . . . . 289 E CG . 26727 1 267 . 1 1 47 47 GLU N N 15 117.100 0.1 . 1 . . . . 289 E N . 26727 1 268 . 1 1 48 48 GLN H H 1 7.900 0.01 . 1 . . . . 290 Q H . 26727 1 269 . 1 1 48 48 GLN C C 13 178.370 0.1 . 1 . . . . 290 Q C . 26727 1 270 . 1 1 48 48 GLN CA C 13 59.100 0.1 . 1 . . . . 290 Q CA . 26727 1 271 . 1 1 48 48 GLN CB C 13 28.300 0.1 . 1 . . . . 290 Q CB . 26727 1 272 . 1 1 48 48 GLN CG C 13 33.600 0.1 . 1 . . . . 290 Q CG . 26727 1 273 . 1 1 48 48 GLN N N 15 121.200 0.1 . 1 . . . . 290 Q N . 26727 1 274 . 1 1 49 49 VAL H H 1 7.590 0.01 . 1 . . . . 291 V H . 26727 1 275 . 1 1 49 49 VAL C C 13 178.420 0.1 . 1 . . . . 291 V C . 26727 1 276 . 1 1 49 49 VAL CA C 13 66.800 0.1 . 1 . . . . 291 V CA . 26727 1 277 . 1 1 49 49 VAL CB C 13 31.000 0.1 . 1 . . . . 291 V CB . 26727 1 278 . 1 1 49 49 VAL N N 15 120.500 0.1 . 1 . . . . 291 V N . 26727 1 279 . 1 1 50 50 LEU H H 1 7.930 0.01 . 1 . . . . 292 L H . 26727 1 280 . 1 1 50 50 LEU C C 13 181.150 0.1 . 1 . . . . 292 L C . 26727 1 281 . 1 1 50 50 LEU CA C 13 58.600 0.1 . 1 . . . . 292 L CA . 26727 1 282 . 1 1 50 50 LEU CB C 13 40.500 0.1 . 1 . . . . 292 L CB . 26727 1 283 . 1 1 50 50 LEU CD1 C 13 24.900 0.1 . 2 . . . . 292 L CD1 . 26727 1 284 . 1 1 50 50 LEU CD2 C 13 24.900 0.1 . 2 . . . . 292 L CD2 . 26727 1 285 . 1 1 50 50 LEU N N 15 119.400 0.1 . 1 . . . . 292 L N . 26727 1 286 . 1 1 51 51 THR H H 1 8.150 0.01 . 1 . . . . 293 T H . 26727 1 287 . 1 1 51 51 THR C C 13 176.000 0.1 . 1 . . . . 293 T C . 26727 1 288 . 1 1 51 51 THR CA C 13 67.500 0.1 . 1 . . . . 293 T CA . 26727 1 289 . 1 1 51 51 THR CB C 13 68.500 0.1 . 1 . . . . 293 T CB . 26727 1 290 . 1 1 51 51 THR CG2 C 13 22.100 0.1 . 1 . . . . 293 T CG2 . 26727 1 291 . 1 1 51 51 THR N N 15 119.800 0.1 . 1 . . . . 293 T N . 26727 1 292 . 1 1 52 52 ASP H H 1 8.520 0.01 . 1 . . . . 294 D H . 26727 1 293 . 1 1 52 52 ASP C C 13 179.440 0.1 . 1 . . . . 294 D C . 26727 1 294 . 1 1 52 52 ASP CA C 13 56.500 0.1 . 1 . . . . 294 D CA . 26727 1 295 . 1 1 52 52 ASP CB C 13 37.900 0.1 . 1 . . . . 294 D CB . 26727 1 296 . 1 1 52 52 ASP N N 15 122.700 0.1 . 1 . . . . 294 D N . 26727 1 297 . 1 1 53 53 ILE H H 1 8.610 0.01 . 1 . . . . 295 I H . 26727 1 298 . 1 1 53 53 ILE C C 13 176.900 0.1 . 1 . . . . 295 I C . 26727 1 299 . 1 1 53 53 ILE CA C 13 66.300 0.1 . 1 . . . . 295 I CA . 26727 1 300 . 1 1 53 53 ILE CB C 13 38.400 0.1 . 1 . . . . 295 I CB . 26727 1 301 . 1 1 53 53 ILE N N 15 120.400 0.1 . 1 . . . . 295 I N . 26727 1 302 . 1 1 54 54 THR H H 1 8.280 0.01 . 1 . . . . 296 T H . 26727 1 303 . 1 1 54 54 THR C C 13 176.610 0.1 . 1 . . . . 296 T C . 26727 1 304 . 1 1 54 54 THR CA C 13 68.000 0.1 . 1 . . . . 296 T CA . 26727 1 305 . 1 1 54 54 THR CB C 13 69.600 0.1 . 1 . . . . 296 T CB . 26727 1 306 . 1 1 54 54 THR N N 15 117.000 0.1 . 1 . . . . 296 T N . 26727 1 307 . 1 1 55 55 GLU H H 1 8.000 0.01 . 1 . . . . 297 E H . 26727 1 308 . 1 1 55 55 GLU C C 13 178.770 0.1 . 1 . . . . 297 E C . 26727 1 309 . 1 1 55 55 GLU CA C 13 58.700 0.1 . 1 . . . . 297 E CA . 26727 1 310 . 1 1 55 55 GLU CB C 13 28.800 0.1 . 1 . . . . 297 E CB . 26727 1 311 . 1 1 55 55 GLU CG C 13 34.500 0.1 . 1 . . . . 297 E CG . 26727 1 312 . 1 1 55 55 GLU N N 15 118.800 0.1 . 1 . . . . 297 E N . 26727 1 313 . 1 1 56 56 ALA H H 1 7.810 0.01 . 1 . . . . 298 A H . 26727 1 314 . 1 1 56 56 ALA C C 13 179.590 0.1 . 1 . . . . 298 A C . 26727 1 315 . 1 1 56 56 ALA CA C 13 54.900 0.1 . 1 . . . . 298 A CA . 26727 1 316 . 1 1 56 56 ALA CB C 13 19.600 0.1 . 1 . . . . 298 A CB . 26727 1 317 . 1 1 56 56 ALA N N 15 121.700 0.1 . 1 . . . . 298 A N . 26727 1 318 . 1 1 57 57 ILE H H 1 7.990 0.01 . 1 . . . . 299 I H . 26727 1 319 . 1 1 57 57 ILE C C 13 174.930 0.1 . 1 . . . . 299 I C . 26727 1 320 . 1 1 57 57 ILE CA C 13 61.600 0.1 . 1 . . . . 299 I CA . 26727 1 321 . 1 1 57 57 ILE CB C 13 38.900 0.1 . 1 . . . . 299 I CB . 26727 1 322 . 1 1 57 57 ILE CG2 C 13 17.800 0.1 . 1 . . . . 299 I CG2 . 26727 1 323 . 1 1 57 57 ILE CD1 C 13 14.600 0.1 . 1 . . . . 299 I CD1 . 26727 1 324 . 1 1 57 57 ILE N N 15 111.900 0.1 . 1 . . . . 299 I N . 26727 1 325 . 1 1 58 58 LYS H H 1 7.650 0.01 . 1 . . . . 300 K H . 26727 1 326 . 1 1 58 58 LYS C C 13 176.470 0.1 . 1 . . . . 300 K C . 26727 1 327 . 1 1 58 58 LYS CA C 13 57.100 0.1 . 1 . . . . 300 K CA . 26727 1 328 . 1 1 58 58 LYS CB C 13 30.000 0.1 . 1 . . . . 300 K CB . 26727 1 329 . 1 1 58 58 LYS CE C 13 42.800 0.1 . 1 . . . . 300 K CE . 26727 1 330 . 1 1 58 58 LYS N N 15 118.700 0.1 . 1 . . . . 300 K N . 26727 1 331 . 1 1 59 59 LEU H H 1 7.910 0.01 . 1 . . . . 301 L H . 26727 1 332 . 1 1 59 59 LEU C C 13 178.320 0.1 . 1 . . . . 301 L C . 26727 1 333 . 1 1 59 59 LEU CA C 13 55.400 0.1 . 1 . . . . 301 L CA . 26727 1 334 . 1 1 59 59 LEU CB C 13 43.100 0.1 . 1 . . . . 301 L CB . 26727 1 335 . 1 1 59 59 LEU N N 15 120.300 0.1 . 1 . . . . 301 L N . 26727 1 336 . 1 1 60 60 GLU H H 1 8.890 0.01 . 1 . . . . 302 E H . 26727 1 337 . 1 1 60 60 GLU C C 13 177.030 0.1 . 1 . . . . 302 E C . 26727 1 338 . 1 1 60 60 GLU CA C 13 58.100 0.1 . 1 . . . . 302 E CA . 26727 1 339 . 1 1 60 60 GLU CB C 13 29.600 0.1 . 1 . . . . 302 E CB . 26727 1 340 . 1 1 60 60 GLU CG C 13 35.400 0.1 . 1 . . . . 302 E CG . 26727 1 341 . 1 1 60 60 GLU N N 15 122.800 0.1 . 1 . . . . 302 E N . 26727 1 342 . 1 1 61 61 THR H H 1 7.570 0.01 . 1 . . . . 303 T H . 26727 1 343 . 1 1 61 61 THR C C 13 174.570 0.1 . 1 . . . . 303 T C . 26727 1 344 . 1 1 61 61 THR CA C 13 62.000 0.1 . 1 . . . . 303 T CA . 26727 1 345 . 1 1 61 61 THR CB C 13 69.700 0.1 . 1 . . . . 303 T CB . 26727 1 346 . 1 1 61 61 THR CG2 C 13 21.900 0.1 . 1 . . . . 303 T CG2 . 26727 1 347 . 1 1 61 61 THR N N 15 110.400 0.1 . 1 . . . . 303 T N . 26727 1 348 . 1 1 62 62 GLY H H 1 8.110 0.01 . 1 . . . . 304 G H . 26727 1 349 . 1 1 62 62 GLY C C 13 173.080 0.1 . 1 . . . . 304 G C . 26727 1 350 . 1 1 62 62 GLY CA C 13 45.300 0.1 . 1 . . . . 304 G CA . 26727 1 351 . 1 1 62 62 GLY N N 15 111.200 0.1 . 1 . . . . 304 G N . 26727 1 352 . 1 1 63 63 VAL H H 1 7.680 0.01 . 1 . . . . 305 V H . 26727 1 353 . 1 1 63 63 VAL C C 13 176.020 0.1 . 1 . . . . 305 V C . 26727 1 354 . 1 1 63 63 VAL CA C 13 61.300 0.1 . 1 . . . . 305 V CA . 26727 1 355 . 1 1 63 63 VAL CB C 13 34.300 0.1 . 1 . . . . 305 V CB . 26727 1 356 . 1 1 63 63 VAL CG1 C 13 20.900 0.1 . 2 . . . . 305 V CG1 . 26727 1 357 . 1 1 63 63 VAL CG2 C 13 20.900 0.1 . 2 . . . . 305 V CG2 . 26727 1 358 . 1 1 63 63 VAL N N 15 115.700 0.1 . 1 . . . . 305 V N . 26727 1 359 . 1 1 64 64 VAL H H 1 7.800 0.01 . 1 . . . . 306 V H . 26727 1 360 . 1 1 64 64 VAL C C 13 174.930 0.1 . 1 . . . . 306 V C . 26727 1 361 . 1 1 64 64 VAL CA C 13 63.800 0.1 . 1 . . . . 306 V CA . 26727 1 362 . 1 1 64 64 VAL CB C 13 32.100 0.1 . 1 . . . . 306 V CB . 26727 1 363 . 1 1 64 64 VAL N N 15 122.400 0.1 . 1 . . . . 306 V N . 26727 1 364 . 1 1 65 65 LYS H H 1 8.600 0.01 . 1 . . . . 307 K H . 26727 1 365 . 1 1 65 65 LYS C C 13 176.790 0.1 . 1 . . . . 307 K C . 26727 1 366 . 1 1 65 65 LYS CA C 13 56.000 0.1 . 1 . . . . 307 K CA . 26727 1 367 . 1 1 65 65 LYS CB C 13 35.000 0.1 . 1 . . . . 307 K CB . 26727 1 368 . 1 1 65 65 LYS CE C 13 42.300 0.1 . 1 . . . . 307 K CE . 26727 1 369 . 1 1 65 65 LYS N N 15 124.600 0.1 . 1 . . . . 307 K N . 26727 1 370 . 1 1 66 66 LYS H H 1 7.850 0.01 . 1 . . . . 308 K H . 26727 1 371 . 1 1 66 66 LYS C C 13 173.560 0.1 . 1 . . . . 308 K C . 26727 1 372 . 1 1 66 66 LYS CA C 13 55.400 0.1 . 1 . . . . 308 K CA . 26727 1 373 . 1 1 66 66 LYS CB C 13 37.500 0.1 . 1 . . . . 308 K CB . 26727 1 374 . 1 1 66 66 LYS CE C 13 42.700 0.1 . 1 . . . . 308 K CE . 26727 1 375 . 1 1 66 66 LYS N N 15 117.600 0.1 . 1 . . . . 308 K N . 26727 1 376 . 1 1 67 67 LEU H H 1 8.560 0.01 . 1 . . . . 309 L H . 26727 1 377 . 1 1 67 67 LEU C C 13 175.230 0.1 . 1 . . . . 309 L C . 26727 1 378 . 1 1 67 67 LEU CA C 13 53.400 0.1 . 1 . . . . 309 L CA . 26727 1 379 . 1 1 67 67 LEU CB C 13 47.100 0.1 . 1 . . . . 309 L CB . 26727 1 380 . 1 1 67 67 LEU N N 15 122.200 0.1 . 1 . . . . 309 L N . 26727 1 381 . 1 1 68 68 TYR H H 1 9.060 0.01 . 1 . . . . 310 Y H . 26727 1 382 . 1 1 68 68 TYR C C 13 177.400 0.1 . 1 . . . . 310 Y C . 26727 1 383 . 1 1 68 68 TYR CA C 13 56.700 0.1 . 1 . . . . 310 Y CA . 26727 1 384 . 1 1 68 68 TYR CB C 13 44.200 0.1 . 1 . . . . 310 Y CB . 26727 1 385 . 1 1 68 68 TYR N N 15 119.500 0.1 . 1 . . . . 310 Y N . 26727 1 386 . 1 1 69 69 THR H H 1 9.150 0.01 . 1 . . . . 311 T H . 26727 1 387 . 1 1 69 69 THR C C 13 177.010 0.1 . 1 . . . . 311 T C . 26727 1 388 . 1 1 69 69 THR CA C 13 61.400 0.1 . 1 . . . . 311 T CA . 26727 1 389 . 1 1 69 69 THR CB C 13 70.900 0.1 . 1 . . . . 311 T CB . 26727 1 390 . 1 1 69 69 THR CG2 C 13 23.300 0.1 . 1 . . . . 311 T CG2 . 26727 1 391 . 1 1 69 69 THR N N 15 111.200 0.1 . 1 . . . . 311 T N . 26727 1 392 . 1 1 70 70 LEU H H 1 8.940 0.01 . 1 . . . . 312 L H . 26727 1 393 . 1 1 70 70 LEU C C 13 177.990 0.1 . 1 . . . . 312 L C . 26727 1 394 . 1 1 70 70 LEU CA C 13 58.000 0.1 . 1 . . . . 312 L CA . 26727 1 395 . 1 1 70 70 LEU CB C 13 41.700 0.1 . 1 . . . . 312 L CB . 26727 1 396 . 1 1 70 70 LEU CD1 C 13 25.500 0.1 . 2 . . . . 312 L CD1 . 26727 1 397 . 1 1 70 70 LEU CD2 C 13 25.500 0.1 . 2 . . . . 312 L CD2 . 26727 1 398 . 1 1 70 70 LEU N N 15 119.900 0.1 . 1 . . . . 312 L N . 26727 1 399 . 1 1 71 71 ASP H H 1 7.820 0.01 . 1 . . . . 313 D H . 26727 1 400 . 1 1 71 71 ASP C C 13 176.700 0.1 . 1 . . . . 313 D C . 26727 1 401 . 1 1 71 71 ASP CA C 13 53.200 0.1 . 1 . . . . 313 D CA . 26727 1 402 . 1 1 71 71 ASP CB C 13 39.800 0.1 . 1 . . . . 313 D CB . 26727 1 403 . 1 1 71 71 ASP N N 15 112.900 0.1 . 1 . . . . 313 D N . 26727 1 404 . 1 1 72 72 GLY H H 1 8.050 0.01 . 1 . . . . 314 G H . 26727 1 405 . 1 1 72 72 GLY C C 13 174.160 0.1 . 1 . . . . 314 G C . 26727 1 406 . 1 1 72 72 GLY CA C 13 46.100 0.1 . 1 . . . . 314 G CA . 26727 1 407 . 1 1 72 72 GLY N N 15 108.200 0.1 . 1 . . . . 314 G N . 26727 1 408 . 1 1 73 73 LYS H H 1 7.630 0.01 . 1 . . . . 315 K H . 26727 1 409 . 1 1 73 73 LYS C C 13 176.550 0.1 . 1 . . . . 315 K C . 26727 1 410 . 1 1 73 73 LYS CA C 13 56.000 0.1 . 1 . . . . 315 K CA . 26727 1 411 . 1 1 73 73 LYS CB C 13 33.000 0.1 . 1 . . . . 315 K CB . 26727 1 412 . 1 1 73 73 LYS CG C 13 25.200 0.1 . 1 . . . . 315 K CG . 26727 1 413 . 1 1 73 73 LYS CD C 13 29.400 0.1 . 1 . . . . 315 K CD . 26727 1 414 . 1 1 73 73 LYS CE C 13 42.600 0.1 . 1 . . . . 315 K CE . 26727 1 415 . 1 1 73 73 LYS N N 15 121.500 0.1 . 1 . . . . 315 K N . 26727 1 416 . 1 1 74 74 GLN H H 1 8.870 0.01 . 1 . . . . 316 Q H . 26727 1 417 . 1 1 74 74 GLN C C 13 176.150 0.1 . 1 . . . . 316 Q C . 26727 1 418 . 1 1 74 74 GLN CA C 13 56.300 0.1 . 1 . . . . 316 Q CA . 26727 1 419 . 1 1 74 74 GLN CB C 13 29.000 0.1 . 1 . . . . 316 Q CB . 26727 1 420 . 1 1 74 74 GLN CG C 13 34.200 0.1 . 1 . . . . 316 Q CG . 26727 1 421 . 1 1 74 74 GLN N N 15 125.800 0.1 . 1 . . . . 316 Q N . 26727 1 422 . 1 1 75 75 VAL H H 1 8.500 0.01 . 1 . . . . 317 V H . 26727 1 423 . 1 1 75 75 VAL C C 13 176.470 0.1 . 1 . . . . 317 V C . 26727 1 424 . 1 1 75 75 VAL CA C 13 62.800 0.1 . 1 . . . . 317 V CA . 26727 1 425 . 1 1 75 75 VAL N N 15 128.900 0.1 . 1 . . . . 317 V N . 26727 1 426 . 1 1 76 76 THR H H 1 8.910 0.01 . 1 . . . . 318 T H . 26727 1 427 . 1 1 76 76 THR C C 13 173.500 0.1 . 1 . . . . 318 T C . 26727 1 428 . 1 1 76 76 THR CA C 13 61.600 0.1 . 1 . . . . 318 T CA . 26727 1 429 . 1 1 76 76 THR CB C 13 71.600 0.1 . 1 . . . . 318 T CB . 26727 1 430 . 1 1 76 76 THR CG2 C 13 21.400 0.1 . 1 . . . . 318 T CG2 . 26727 1 431 . 1 1 76 76 THR N N 15 115.300 0.1 . 1 . . . . 318 T N . 26727 1 432 . 1 1 77 77 CYS H H 1 7.560 0.01 . 1 . . . . 319 C H . 26727 1 433 . 1 1 77 77 CYS C C 13 174.050 0.1 . 1 . . . . 319 C C . 26727 1 434 . 1 1 77 77 CYS CA C 13 55.800 0.1 . 1 . . . . 319 C CA . 26727 1 435 . 1 1 77 77 CYS CB C 13 31.100 0.1 . 1 . . . . 319 C CB . 26727 1 436 . 1 1 77 77 CYS N N 15 115.900 0.1 . 1 . . . . 319 C N . 26727 1 437 . 1 1 78 78 LEU H H 1 9.090 0.01 . 1 . . . . 320 L H . 26727 1 438 . 1 1 78 78 LEU C C 13 179.030 0.1 . 1 . . . . 320 L C . 26727 1 439 . 1 1 78 78 LEU CA C 13 58.500 0.1 . 1 . . . . 320 L CA . 26727 1 440 . 1 1 78 78 LEU CB C 13 43.200 0.1 . 1 . . . . 320 L CB . 26727 1 441 . 1 1 78 78 LEU CG C 13 27.700 0.1 . 1 . . . . 320 L CG . 26727 1 442 . 1 1 78 78 LEU CD1 C 13 25.100 0.1 . 2 . . . . 320 L CD1 . 26727 1 443 . 1 1 78 78 LEU CD2 C 13 25.100 0.1 . 2 . . . . 320 L CD2 . 26727 1 444 . 1 1 78 78 LEU N N 15 122.300 0.1 . 1 . . . . 320 L N . 26727 1 445 . 1 1 79 79 HIS H H 1 8.940 0.01 . 1 . . . . 321 H H . 26727 1 446 . 1 1 79 79 HIS C C 13 177.110 0.1 . 1 . . . . 321 H C . 26727 1 447 . 1 1 79 79 HIS CA C 13 59.300 0.1 . 1 . . . . 321 H CA . 26727 1 448 . 1 1 79 79 HIS CB C 13 28.100 0.1 . 1 . . . . 321 H CB . 26727 1 449 . 1 1 79 79 HIS N N 15 115.700 0.1 . 1 . . . . 321 H N . 26727 1 450 . 1 1 80 80 ASP H H 1 7.500 0.01 . 1 . . . . 322 D H . 26727 1 451 . 1 1 80 80 ASP C C 13 178.260 0.1 . 1 . . . . 322 D C . 26727 1 452 . 1 1 80 80 ASP CA C 13 57.100 0.1 . 1 . . . . 322 D CA . 26727 1 453 . 1 1 80 80 ASP CB C 13 41.900 0.1 . 1 . . . . 322 D CB . 26727 1 454 . 1 1 80 80 ASP N N 15 115.900 0.1 . 1 . . . . 322 D N . 26727 1 455 . 1 1 81 81 PHE H H 1 7.700 0.01 . 1 . . . . 323 F H . 26727 1 456 . 1 1 81 81 PHE C C 13 176.140 0.1 . 1 . . . . 323 F C . 26727 1 457 . 1 1 81 81 PHE CA C 13 60.700 0.1 . 1 . . . . 323 F CA . 26727 1 458 . 1 1 81 81 PHE CB C 13 39.700 0.1 . 1 . . . . 323 F CB . 26727 1 459 . 1 1 82 82 PHE H H 1 7.590 0.01 . 1 . . . . 324 F H . 26727 1 460 . 1 1 82 82 PHE C C 13 175.260 0.1 . 1 . . . . 324 F C . 26727 1 461 . 1 1 82 82 PHE CA C 13 59.200 0.1 . 1 . . . . 324 F CA . 26727 1 462 . 1 1 82 82 PHE CB C 13 39.700 0.1 . 1 . . . . 324 F CB . 26727 1 463 . 1 1 82 82 PHE N N 15 117.200 0.1 . 1 . . . . 324 F N . 26727 1 464 . 1 1 83 83 GLY H H 1 8.030 0.01 . 1 . . . . 325 G H . 26727 1 465 . 1 1 83 83 GLY C C 13 174.630 0.1 . 1 . . . . 325 G C . 26727 1 466 . 1 1 83 83 GLY CA C 13 45.300 0.1 . 1 . . . . 325 G CA . 26727 1 467 . 1 1 83 83 GLY N N 15 111.100 0.1 . 1 . . . . 325 G N . 26727 1 468 . 1 1 84 84 ASP H H 1 8.630 0.01 . 1 . . . . 326 D H . 26727 1 469 . 1 1 84 84 ASP C C 13 176.520 0.1 . 1 . . . . 326 D C . 26727 1 470 . 1 1 84 84 ASP CA C 13 55.400 0.1 . 1 . . . . 326 D CA . 26727 1 471 . 1 1 84 84 ASP CB C 13 40.500 0.1 . 1 . . . . 326 D CB . 26727 1 472 . 1 1 84 84 ASP N N 15 120.900 0.1 . 1 . . . . 326 D N . 26727 1 473 . 1 1 85 85 ASP H H 1 7.910 0.01 . 1 . . . . 327 D H . 26727 1 474 . 1 1 85 85 ASP C C 13 176.280 0.1 . 1 . . . . 327 D C . 26727 1 475 . 1 1 85 85 ASP CA C 13 55.000 0.1 . 1 . . . . 327 D CA . 26727 1 476 . 1 1 85 85 ASP CB C 13 42.400 0.1 . 1 . . . . 327 D CB . 26727 1 477 . 1 1 85 85 ASP N N 15 117.600 0.1 . 1 . . . . 327 D N . 26727 1 478 . 1 1 86 86 ASP H H 1 9.050 0.01 . 1 . . . . 328 D H . 26727 1 479 . 1 1 86 86 ASP C C 13 173.300 0.1 . 1 . . . . 328 D C . 26727 1 480 . 1 1 86 86 ASP CA C 13 53.400 0.1 . 1 . . . . 328 D CA . 26727 1 481 . 1 1 86 86 ASP CB C 13 41.600 0.1 . 1 . . . . 328 D CB . 26727 1 482 . 1 1 86 86 ASP N N 15 120.200 0.1 . 1 . . . . 328 D N . 26727 1 483 . 1 1 87 87 VAL H H 1 6.900 0.01 . 1 . . . . 329 V H . 26727 1 484 . 1 1 87 87 VAL C C 13 173.730 0.1 . 1 . . . . 329 V C . 26727 1 485 . 1 1 87 87 VAL CA C 13 61.100 0.1 . 1 . . . . 329 V CA . 26727 1 486 . 1 1 87 87 VAL CB C 13 34.300 0.1 . 1 . . . . 329 V CB . 26727 1 487 . 1 1 87 87 VAL N N 15 120.800 0.1 . 1 . . . . 329 V N . 26727 1 488 . 1 1 88 88 PHE H H 1 8.900 0.01 . 1 . . . . 330 F H . 26727 1 489 . 1 1 88 88 PHE C C 13 173.820 0.1 . 1 . . . . 330 F C . 26727 1 490 . 1 1 88 88 PHE CA C 13 55.900 0.1 . 1 . . . . 330 F CA . 26727 1 491 . 1 1 88 88 PHE CB C 13 43.500 0.1 . 1 . . . . 330 F CB . 26727 1 492 . 1 1 88 88 PHE N N 15 122.800 0.1 . 1 . . . . 330 F N . 26727 1 493 . 1 1 89 89 ILE H H 1 9.790 0.01 . 1 . . . . 331 I H . 26727 1 494 . 1 1 89 89 ILE C C 13 175.780 0.1 . 1 . . . . 331 I C . 26727 1 495 . 1 1 89 89 ILE CA C 13 59.800 0.1 . 1 . . . . 331 I CA . 26727 1 496 . 1 1 89 89 ILE CB C 13 40.500 0.1 . 1 . . . . 331 I CB . 26727 1 497 . 1 1 89 89 ILE N N 15 122.100 0.1 . 1 . . . . 331 I N . 26727 1 498 . 1 1 90 90 ALA H H 1 9.050 0.01 . 1 . . . . 332 A H . 26727 1 499 . 1 1 90 90 ALA C C 13 176.690 0.1 . 1 . . . . 332 A C . 26727 1 500 . 1 1 90 90 ALA CA C 13 50.900 0.1 . 1 . . . . 332 A CA . 26727 1 501 . 1 1 90 90 ALA CB C 13 21.500 0.1 . 1 . . . . 332 A CB . 26727 1 502 . 1 1 90 90 ALA N N 15 128.400 0.1 . 1 . . . . 332 A N . 26727 1 503 . 1 1 91 91 CYS H H 1 8.840 0.01 . 1 . . . . 333 C H . 26727 1 504 . 1 1 91 91 CYS C C 13 175.140 0.1 . 1 . . . . 333 C C . 26727 1 505 . 1 1 91 91 CYS CA C 13 58.700 0.1 . 1 . . . . 333 C CA . 26727 1 506 . 1 1 91 91 CYS CB C 13 31.000 0.1 . 1 . . . . 333 C CB . 26727 1 507 . 1 1 91 91 CYS N N 15 120.400 0.1 . 1 . . . . 333 C N . 26727 1 508 . 1 1 92 92 GLY H H 1 8.640 0.01 . 1 . . . . 334 G H . 26727 1 509 . 1 1 92 92 GLY C C 13 171.600 0.1 . 1 . . . . 334 G C . 26727 1 510 . 1 1 92 92 GLY CA C 13 44.900 0.1 . 1 . . . . 334 G CA . 26727 1 511 . 1 1 92 92 GLY N N 15 112.700 0.1 . 1 . . . . 334 G N . 26727 1 512 . 1 1 93 93 PRO C C 13 176.910 0.1 . 1 . . . . 335 P C . 26727 1 513 . 1 1 93 93 PRO CA C 13 63.700 0.1 . 1 . . . . 335 P CA . 26727 1 514 . 1 1 93 93 PRO CB C 13 32.400 0.1 . 1 . . . . 335 P CB . 26727 1 515 . 1 1 94 94 GLU H H 1 8.920 0.01 . 1 . . . . 336 E H . 26727 1 516 . 1 1 94 94 GLU C C 13 175.910 0.1 . 1 . . . . 336 E C . 26727 1 517 . 1 1 94 94 GLU CA C 13 56.600 0.1 . 1 . . . . 336 E CA . 26727 1 518 . 1 1 94 94 GLU CB C 13 29.700 0.1 . 1 . . . . 336 E CB . 26727 1 519 . 1 1 94 94 GLU CG C 13 35.200 0.1 . 1 . . . . 336 E CG . 26727 1 520 . 1 1 94 94 GLU N N 15 121.300 0.1 . 1 . . . . 336 E N . 26727 1 521 . 1 1 95 95 LYS H H 1 8.210 0.01 . 1 . . . . 337 K H . 26727 1 522 . 1 1 95 95 LYS C C 13 176.570 0.1 . 1 . . . . 337 K C . 26727 1 523 . 1 1 95 95 LYS CA C 13 56.800 0.1 . 1 . . . . 337 K CA . 26727 1 524 . 1 1 95 95 LYS CB C 13 33.200 0.1 . 1 . . . . 337 K CB . 26727 1 525 . 1 1 95 95 LYS CG C 13 25.200 0.1 . 1 . . . . 337 K CG . 26727 1 526 . 1 1 95 95 LYS CD C 13 29.800 0.1 . 1 . . . . 337 K CD . 26727 1 527 . 1 1 95 95 LYS CE C 13 42.400 0.1 . 1 . . . . 337 K CE . 26727 1 528 . 1 1 95 95 LYS N N 15 121.300 0.1 . 1 . . . . 337 K N . 26727 1 529 . 1 1 96 96 PHE H H 1 8.170 0.01 . 1 . . . . 338 F H . 26727 1 530 . 1 1 96 96 PHE C C 13 175.260 0.1 . 1 . . . . 338 F C . 26727 1 531 . 1 1 96 96 PHE CA C 13 58.200 0.1 . 1 . . . . 338 F CA . 26727 1 532 . 1 1 96 96 PHE CB C 13 40.000 0.1 . 1 . . . . 338 F CB . 26727 1 533 . 1 1 96 96 PHE N N 15 123.000 0.1 . 1 . . . . 338 F N . 26727 1 534 . 1 1 97 97 ARG H H 1 7.760 0.01 . 1 . . . . 339 R H . 26727 1 535 . 1 1 97 97 ARG C C 13 175.070 0.1 . 1 . . . . 339 R C . 26727 1 536 . 1 1 97 97 ARG CA C 13 55.700 0.1 . 1 . . . . 339 R CA . 26727 1 537 . 1 1 97 97 ARG CB C 13 31.500 0.1 . 1 . . . . 339 R CB . 26727 1 538 . 1 1 97 97 ARG CD C 13 43.700 0.1 . 1 . . . . 339 R CD . 26727 1 539 . 1 1 97 97 ARG N N 15 125.000 0.1 . 1 . . . . 339 R N . 26727 1 540 . 1 1 98 98 TYR H H 1 7.830 0.01 . 1 . . . . 340 Y H . 26727 1 541 . 1 1 98 98 TYR C C 13 175.350 0.1 . 1 . . . . 340 Y C . 26727 1 542 . 1 1 98 98 TYR CA C 13 58.600 0.1 . 1 . . . . 340 Y CA . 26727 1 543 . 1 1 98 98 TYR CB C 13 39.100 0.1 . 1 . . . . 340 Y CB . 26727 1 544 . 1 1 98 98 TYR N N 15 122.200 0.1 . 1 . . . . 340 Y N . 26727 1 545 . 1 1 99 99 ALA H H 1 7.970 0.01 . 1 . . . . 341 A H . 26727 1 546 . 1 1 99 99 ALA C C 13 177.430 0.1 . 1 . . . . 341 A C . 26727 1 547 . 1 1 99 99 ALA CA C 13 52.400 0.1 . 1 . . . . 341 A CA . 26727 1 548 . 1 1 99 99 ALA CB C 13 19.900 0.1 . 1 . . . . 341 A CB . 26727 1 549 . 1 1 99 99 ALA N N 15 126.100 0.1 . 1 . . . . 341 A N . 26727 1 550 . 1 1 100 100 GLN H H 1 8.200 0.01 . 1 . . . . 342 Q H . 26727 1 551 . 1 1 100 100 GLN C C 13 176.440 0.1 . 1 . . . . 342 Q C . 26727 1 552 . 1 1 100 100 GLN CA C 13 57.100 0.1 . 1 . . . . 342 Q CA . 26727 1 553 . 1 1 100 100 GLN CB C 13 29.300 0.1 . 1 . . . . 342 Q CB . 26727 1 554 . 1 1 100 100 GLN CG C 13 34.100 0.1 . 1 . . . . 342 Q CG . 26727 1 555 . 1 1 100 100 GLN N N 15 119.300 0.1 . 1 . . . . 342 Q N . 26727 1 556 . 1 1 101 101 ASP H H 1 8.230 0.01 . 1 . . . . 343 D H . 26727 1 557 . 1 1 101 101 ASP C C 13 175.890 0.1 . 1 . . . . 343 D C . 26727 1 558 . 1 1 101 101 ASP CA C 13 54.400 0.1 . 1 . . . . 343 D CA . 26727 1 559 . 1 1 101 101 ASP CB C 13 40.200 0.1 . 1 . . . . 343 D CB . 26727 1 560 . 1 1 101 101 ASP N N 15 118.700 0.1 . 1 . . . . 343 D N . 26727 1 561 . 1 1 102 102 ASP H H 1 7.990 0.01 . 1 . . . . 344 D H . 26727 1 562 . 1 1 102 102 ASP C C 13 175.960 0.1 . 1 . . . . 344 D C . 26727 1 563 . 1 1 102 102 ASP CA C 13 54.400 0.1 . 1 . . . . 344 D CA . 26727 1 564 . 1 1 102 102 ASP CB C 13 40.200 0.1 . 1 . . . . 344 D CB . 26727 1 565 . 1 1 102 102 ASP N N 15 119.200 0.1 . 1 . . . . 344 D N . 26727 1 566 . 1 1 103 103 PHE H H 1 7.950 0.01 . 1 . . . . 345 F H . 26727 1 567 . 1 1 103 103 PHE C C 13 175.910 0.1 . 1 . . . . 345 F C . 26727 1 568 . 1 1 103 103 PHE CA C 13 58.200 0.1 . 1 . . . . 345 F CA . 26727 1 569 . 1 1 103 103 PHE CB C 13 39.700 0.1 . 1 . . . . 345 F CB . 26727 1 570 . 1 1 103 103 PHE N N 15 119.600 0.1 . 1 . . . . 345 F N . 26727 1 571 . 1 1 104 104 SER H H 1 7.990 0.01 . 1 . . . . 346 S H . 26727 1 572 . 1 1 104 104 SER C C 13 174.920 0.1 . 1 . . . . 346 S C . 26727 1 573 . 1 1 104 104 SER CA C 13 58.900 0.1 . 1 . . . . 346 S CA . 26727 1 574 . 1 1 104 104 SER CB C 13 64.000 0.1 . 1 . . . . 346 S CB . 26727 1 575 . 1 1 104 104 SER N N 15 116.000 0.1 . 1 . . . . 346 S N . 26727 1 576 . 1 1 105 105 LEU H H 1 8.130 0.01 . 1 . . . . 347 L H . 26727 1 577 . 1 1 105 105 LEU C C 13 177.530 0.1 . 1 . . . . 347 L C . 26727 1 578 . 1 1 105 105 LEU CA C 13 55.800 0.1 . 1 . . . . 347 L CA . 26727 1 579 . 1 1 105 105 LEU CB C 13 42.700 0.1 . 1 . . . . 347 L CB . 26727 1 580 . 1 1 105 105 LEU CG C 13 27.400 0.1 . 1 . . . . 347 L CG . 26727 1 581 . 1 1 105 105 LEU CD1 C 13 25.400 0.1 . 2 . . . . 347 L CD1 . 26727 1 582 . 1 1 105 105 LEU CD2 C 13 25.400 0.1 . 2 . . . . 347 L CD2 . 26727 1 583 . 1 1 105 105 LEU N N 15 123.400 0.1 . 1 . . . . 347 L N . 26727 1 584 . 1 1 106 106 ASP H H 1 8.240 0.01 . 1 . . . . 348 D H . 26727 1 585 . 1 1 106 106 ASP C C 13 176.580 0.1 . 1 . . . . 348 D C . 26727 1 586 . 1 1 106 106 ASP CA C 13 54.200 0.1 . 1 . . . . 348 D CA . 26727 1 587 . 1 1 106 106 ASP CB C 13 40.300 0.1 . 1 . . . . 348 D CB . 26727 1 588 . 1 1 106 106 ASP N N 15 119.800 0.1 . 1 . . . . 348 D N . 26727 1 589 . 1 1 107 107 GLU H H 1 8.330 0.01 . 1 . . . . 349 E H . 26727 1 590 . 1 1 107 107 GLU C C 13 176.800 0.1 . 1 . . . . 349 E C . 26727 1 591 . 1 1 107 107 GLU CA C 13 57.300 0.1 . 1 . . . . 349 E CA . 26727 1 592 . 1 1 107 107 GLU CB C 13 29.100 0.1 . 1 . . . . 349 E CB . 26727 1 593 . 1 1 107 107 GLU CG C 13 34.100 0.1 . 1 . . . . 349 E CG . 26727 1 594 . 1 1 107 107 GLU N N 15 120.700 0.1 . 1 . . . . 349 E N . 26727 1 595 . 1 1 108 108 ASN H H 1 8.350 0.01 . 1 . . . . 350 N H . 26727 1 596 . 1 1 108 108 ASN C C 13 176.050 0.1 . 1 . . . . 350 N C . 26727 1 597 . 1 1 108 108 ASN CA C 13 54.400 0.1 . 1 . . . . 350 N CA . 26727 1 598 . 1 1 108 108 ASN CB C 13 39.100 0.1 . 1 . . . . 350 N CB . 26727 1 599 . 1 1 108 108 ASN N N 15 118.200 0.1 . 1 . . . . 350 N N . 26727 1 600 . 1 1 109 109 GLU H H 1 8.170 0.01 . 1 . . . . 351 E H . 26727 1 601 . 1 1 109 109 GLU C C 13 176.630 0.1 . 1 . . . . 351 E C . 26727 1 602 . 1 1 109 109 GLU CA C 13 57.000 0.1 . 1 . . . . 351 E CA . 26727 1 603 . 1 1 109 109 GLU CB C 13 29.400 0.1 . 1 . . . . 351 E CB . 26727 1 604 . 1 1 109 109 GLU CG C 13 34.400 0.1 . 1 . . . . 351 E CG . 26727 1 605 . 1 1 109 109 GLU N N 15 119.700 0.1 . 1 . . . . 351 E N . 26727 1 606 . 1 1 110 110 CYS H H 1 8.190 0.01 . 1 . . . . 352 C H . 26727 1 607 . 1 1 110 110 CYS C C 13 174.830 0.1 . 1 . . . . 352 C C . 26727 1 608 . 1 1 110 110 CYS CA C 13 59.400 0.1 . 1 . . . . 352 C CA . 26727 1 609 . 1 1 110 110 CYS CB C 13 28.100 0.1 . 1 . . . . 352 C CB . 26727 1 610 . 1 1 110 110 CYS N N 15 118.900 0.1 . 1 . . . . 352 C N . 26727 1 611 . 1 1 111 111 ARG H H 1 8.180 0.01 . 1 . . . . 353 R H . 26727 1 612 . 1 1 111 111 ARG C C 13 176.310 0.1 . 1 . . . . 353 R C . 26727 1 613 . 1 1 111 111 ARG CA C 13 56.700 0.1 . 1 . . . . 353 R CA . 26727 1 614 . 1 1 111 111 ARG CB C 13 31.200 0.1 . 1 . . . . 353 R CB . 26727 1 615 . 1 1 111 111 ARG CD C 13 43.700 0.1 . 1 . . . . 353 R CD . 26727 1 616 . 1 1 111 111 ARG N N 15 122.900 0.1 . 1 . . . . 353 R N . 26727 1 617 . 1 1 112 112 VAL H H 1 8.040 0.01 . 1 . . . . 354 V H . 26727 1 618 . 1 1 112 112 VAL C C 13 176.240 0.1 . 1 . . . . 354 V C . 26727 1 619 . 1 1 112 112 VAL CA C 13 62.600 0.1 . 1 . . . . 354 V CA . 26727 1 620 . 1 1 112 112 VAL CB C 13 33.000 0.1 . 1 . . . . 354 V CB . 26727 1 621 . 1 1 112 112 VAL CG1 C 13 21.600 0.1 . 2 . . . . 354 V CG1 . 26727 1 622 . 1 1 112 112 VAL CG2 C 13 21.200 0.1 . 2 . . . . 354 V CG2 . 26727 1 623 . 1 1 112 112 VAL N N 15 120.900 0.1 . 1 . . . . 354 V N . 26727 1 624 . 1 1 113 113 MET H H 1 8.360 0.01 . 1 . . . . 355 M H . 26727 1 625 . 1 1 113 113 MET C C 13 175.410 0.1 . 1 . . . . 355 M C . 26727 1 626 . 1 1 113 113 MET CA C 13 55.600 0.1 . 1 . . . . 355 M CA . 26727 1 627 . 1 1 113 113 MET CB C 13 33.200 0.1 . 1 . . . . 355 M CB . 26727 1 628 . 1 1 113 113 MET CG C 13 32.400 0.1 . 1 . . . . 355 M CG . 26727 1 629 . 1 1 113 113 MET N N 15 125.100 0.1 . 1 . . . . 355 M N . 26727 1 630 . 1 1 114 114 LYS H H 1 7.950 0.01 . 1 . . . . 356 K H . 26727 1 631 . 1 1 114 114 LYS C C 13 180.810 0.1 . 1 . . . . 356 K C . 26727 1 632 . 1 1 114 114 LYS CA C 13 57.700 0.1 . 1 . . . . 356 K CA . 26727 1 633 . 1 1 114 114 LYS CB C 13 33.900 0.1 . 1 . . . . 356 K CB . 26727 1 634 . 1 1 114 114 LYS N N 15 127.300 0.1 . 1 . . . . 356 K N . 26727 1 stop_ save_