data_25445 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25445 _Entry.Title ; HN,N,CA,CB assignments of A2A-ct ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-20 _Entry.Accession_date 2015-01-20 _Entry.Last_release_date 2016-06-30 _Entry.Original_release_date 2016-06-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _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 Helena Tossavainen . . . . 25445 2 Maarit Hellman . . . . 25445 3 Perttu Permi . . . . 25445 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25445 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 344 25445 '15N chemical shifts' 122 25445 '1H chemical shifts' 111 25445 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 . . 2016-06-30 . original BMRB . 25445 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25445 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25952762 _Citation.Full_citation . _Citation.Title ; HN, N, CA and CB assignments of the intrinsically disordered C-terminus of human adenosine A2A receptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 2 _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 403 _Citation.Page_last 406 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Helena Tossavainen . . . . 25445 1 2 Maarit Hellman . . . . 25445 1 3 Henni Piirainen . . . . 25445 1 4 Veli-Pekka Jaakola . . . . 25445 1 5 Perttu Permi . . . . 25445 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25445 _Assembly.ID 1 _Assembly.Name A2A-ct _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 A2A-ct 1 $A2A-ct A . yes 'intrinsically disordered' yes no . . . 25445 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_A2A-ct _Entity.Sf_category entity _Entity.Sf_framecode A2A-ct _Entity.Entry_ID 25445 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name A2A-ct _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 ; MREFRQTFRKIIRSHVLRQQ EPFKAAGTSARVLAAHGSDG EQVSLRLNGHPPGVWANGSA PHPERRPNGYALGLVSGGSA QESQGNTGLPDVELLSHELK GVCPEPPGLDDPLAQDGAGV SGLEHHHHHHHHHH ; _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 134 _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 1 292 MET . 25445 1 2 293 ARG . 25445 1 3 294 GLU . 25445 1 4 295 PHE . 25445 1 5 296 ARG . 25445 1 6 297 GLN . 25445 1 7 298 THR . 25445 1 8 299 PHE . 25445 1 9 300 ARG . 25445 1 10 301 LYS . 25445 1 11 302 ILE . 25445 1 12 303 ILE . 25445 1 13 304 ARG . 25445 1 14 305 SER . 25445 1 15 306 HIS . 25445 1 16 307 VAL . 25445 1 17 308 LEU . 25445 1 18 309 ARG . 25445 1 19 310 GLN . 25445 1 20 311 GLN . 25445 1 21 312 GLU . 25445 1 22 313 PRO . 25445 1 23 314 PHE . 25445 1 24 315 LYS . 25445 1 25 316 ALA . 25445 1 26 317 ALA . 25445 1 27 318 GLY . 25445 1 28 319 THR . 25445 1 29 320 SER . 25445 1 30 321 ALA . 25445 1 31 322 ARG . 25445 1 32 323 VAL . 25445 1 33 324 LEU . 25445 1 34 325 ALA . 25445 1 35 326 ALA . 25445 1 36 327 HIS . 25445 1 37 328 GLY . 25445 1 38 329 SER . 25445 1 39 330 ASP . 25445 1 40 331 GLY . 25445 1 41 332 GLU . 25445 1 42 333 GLN . 25445 1 43 334 VAL . 25445 1 44 335 SER . 25445 1 45 336 LEU . 25445 1 46 337 ARG . 25445 1 47 338 LEU . 25445 1 48 339 ASN . 25445 1 49 340 GLY . 25445 1 50 341 HIS . 25445 1 51 342 PRO . 25445 1 52 343 PRO . 25445 1 53 344 GLY . 25445 1 54 345 VAL . 25445 1 55 346 TRP . 25445 1 56 347 ALA . 25445 1 57 348 ASN . 25445 1 58 349 GLY . 25445 1 59 350 SER . 25445 1 60 351 ALA . 25445 1 61 352 PRO . 25445 1 62 353 HIS . 25445 1 63 354 PRO . 25445 1 64 355 GLU . 25445 1 65 356 ARG . 25445 1 66 357 ARG . 25445 1 67 358 PRO . 25445 1 68 359 ASN . 25445 1 69 360 GLY . 25445 1 70 361 TYR . 25445 1 71 362 ALA . 25445 1 72 363 LEU . 25445 1 73 364 GLY . 25445 1 74 365 LEU . 25445 1 75 366 VAL . 25445 1 76 367 SER . 25445 1 77 368 GLY . 25445 1 78 369 GLY . 25445 1 79 370 SER . 25445 1 80 371 ALA . 25445 1 81 372 GLN . 25445 1 82 373 GLU . 25445 1 83 374 SER . 25445 1 84 375 GLN . 25445 1 85 376 GLY . 25445 1 86 377 ASN . 25445 1 87 378 THR . 25445 1 88 379 GLY . 25445 1 89 380 LEU . 25445 1 90 381 PRO . 25445 1 91 382 ASP . 25445 1 92 383 VAL . 25445 1 93 384 GLU . 25445 1 94 385 LEU . 25445 1 95 386 LEU . 25445 1 96 387 SER . 25445 1 97 388 HIS . 25445 1 98 389 GLU . 25445 1 99 390 LEU . 25445 1 100 391 LYS . 25445 1 101 392 GLY . 25445 1 102 393 VAL . 25445 1 103 394 CYS . 25445 1 104 395 PRO . 25445 1 105 396 GLU . 25445 1 106 397 PRO . 25445 1 107 398 PRO . 25445 1 108 399 GLY . 25445 1 109 400 LEU . 25445 1 110 401 ASP . 25445 1 111 402 ASP . 25445 1 112 403 PRO . 25445 1 113 404 LEU . 25445 1 114 405 ALA . 25445 1 115 406 GLN . 25445 1 116 407 ASP . 25445 1 117 408 GLY . 25445 1 118 409 ALA . 25445 1 119 410 GLY . 25445 1 120 411 VAL . 25445 1 121 412 SER . 25445 1 122 413 GLY . 25445 1 123 414 LEU . 25445 1 124 415 GLU . 25445 1 125 416 HIS . 25445 1 126 417 HIS . 25445 1 127 418 HIS . 25445 1 128 419 HIS . 25445 1 129 420 HIS . 25445 1 130 421 HIS . 25445 1 131 422 HIS . 25445 1 132 423 HIS . 25445 1 133 424 HIS . 25445 1 134 425 HIS . 25445 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25445 1 . ARG 2 2 25445 1 . GLU 3 3 25445 1 . PHE 4 4 25445 1 . ARG 5 5 25445 1 . GLN 6 6 25445 1 . THR 7 7 25445 1 . PHE 8 8 25445 1 . ARG 9 9 25445 1 . LYS 10 10 25445 1 . ILE 11 11 25445 1 . ILE 12 12 25445 1 . ARG 13 13 25445 1 . SER 14 14 25445 1 . HIS 15 15 25445 1 . VAL 16 16 25445 1 . LEU 17 17 25445 1 . ARG 18 18 25445 1 . GLN 19 19 25445 1 . GLN 20 20 25445 1 . GLU 21 21 25445 1 . PRO 22 22 25445 1 . PHE 23 23 25445 1 . LYS 24 24 25445 1 . ALA 25 25 25445 1 . ALA 26 26 25445 1 . GLY 27 27 25445 1 . THR 28 28 25445 1 . SER 29 29 25445 1 . ALA 30 30 25445 1 . ARG 31 31 25445 1 . VAL 32 32 25445 1 . LEU 33 33 25445 1 . ALA 34 34 25445 1 . ALA 35 35 25445 1 . HIS 36 36 25445 1 . GLY 37 37 25445 1 . SER 38 38 25445 1 . ASP 39 39 25445 1 . GLY 40 40 25445 1 . GLU 41 41 25445 1 . GLN 42 42 25445 1 . VAL 43 43 25445 1 . SER 44 44 25445 1 . LEU 45 45 25445 1 . ARG 46 46 25445 1 . LEU 47 47 25445 1 . ASN 48 48 25445 1 . GLY 49 49 25445 1 . HIS 50 50 25445 1 . PRO 51 51 25445 1 . PRO 52 52 25445 1 . GLY 53 53 25445 1 . VAL 54 54 25445 1 . TRP 55 55 25445 1 . ALA 56 56 25445 1 . ASN 57 57 25445 1 . GLY 58 58 25445 1 . SER 59 59 25445 1 . ALA 60 60 25445 1 . PRO 61 61 25445 1 . HIS 62 62 25445 1 . PRO 63 63 25445 1 . GLU 64 64 25445 1 . ARG 65 65 25445 1 . ARG 66 66 25445 1 . PRO 67 67 25445 1 . ASN 68 68 25445 1 . GLY 69 69 25445 1 . TYR 70 70 25445 1 . ALA 71 71 25445 1 . LEU 72 72 25445 1 . GLY 73 73 25445 1 . LEU 74 74 25445 1 . VAL 75 75 25445 1 . SER 76 76 25445 1 . GLY 77 77 25445 1 . GLY 78 78 25445 1 . SER 79 79 25445 1 . ALA 80 80 25445 1 . GLN 81 81 25445 1 . GLU 82 82 25445 1 . SER 83 83 25445 1 . GLN 84 84 25445 1 . GLY 85 85 25445 1 . ASN 86 86 25445 1 . THR 87 87 25445 1 . GLY 88 88 25445 1 . LEU 89 89 25445 1 . PRO 90 90 25445 1 . ASP 91 91 25445 1 . VAL 92 92 25445 1 . GLU 93 93 25445 1 . LEU 94 94 25445 1 . LEU 95 95 25445 1 . SER 96 96 25445 1 . HIS 97 97 25445 1 . GLU 98 98 25445 1 . LEU 99 99 25445 1 . LYS 100 100 25445 1 . GLY 101 101 25445 1 . VAL 102 102 25445 1 . CYS 103 103 25445 1 . PRO 104 104 25445 1 . GLU 105 105 25445 1 . PRO 106 106 25445 1 . PRO 107 107 25445 1 . GLY 108 108 25445 1 . LEU 109 109 25445 1 . ASP 110 110 25445 1 . ASP 111 111 25445 1 . PRO 112 112 25445 1 . LEU 113 113 25445 1 . ALA 114 114 25445 1 . GLN 115 115 25445 1 . ASP 116 116 25445 1 . GLY 117 117 25445 1 . ALA 118 118 25445 1 . GLY 119 119 25445 1 . VAL 120 120 25445 1 . SER 121 121 25445 1 . GLY 122 122 25445 1 . LEU 123 123 25445 1 . GLU 124 124 25445 1 . HIS 125 125 25445 1 . HIS 126 126 25445 1 . HIS 127 127 25445 1 . HIS 128 128 25445 1 . HIS 129 129 25445 1 . HIS 130 130 25445 1 . HIS 131 131 25445 1 . HIS 132 132 25445 1 . HIS 133 133 25445 1 . HIS 134 134 25445 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 25445 _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 $A2A-ct . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25445 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 25445 _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 $A2A-ct . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pQE-T7-1 . . . 25445 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25445 _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 A2A-ct '[U-13C; U-15N]' . . 1 $A2A-ct . protein 0.6 . . mM . . . . 25445 1 2 HEPES 'natural abundance' . . . . . buffer 50 . . mM . . . . 25445 1 3 TCEP-HCl 'natural abundance' . . . . . . 1 . . mM . . . . 25445 1 4 'sodium chloride' 'natural abundance' . . . . . salt 250 . . mM . . . . 25445 1 5 'calcium chloride' 'natural abundance' . . . . . salt 5 . . mM . . . . 25445 1 6 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 25445 1 7 D2O U-2H . . . . . solvent 5 . . % . . . . 25445 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 25445 _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' 300 . mM 25445 1 pH 7.2 . pH 25445 1 pressure 1 . atm 25445 1 temperature 298 . K 25445 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 25445 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Agilent . . 25445 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25445 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25445 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25445 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25445 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 25445 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25445 _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 Agilent INOVA . 800 . . . 25445 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 25445 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25445 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25445 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25445 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25445 1 5 '3D i(HCA)CO(CA)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25445 1 6 '3D (HCA)N(CA)CO(N)H' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25445 1 7 '3D (HCA)CON(CAN)H' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25445 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 25445 _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 carbon' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25445 1 H 1 water protons . . . . ppm 4.79 internal direct 1 . . . . . 25445 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25445 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 25445 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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' 1 $sample_1 isotropic 25445 1 2 '3D HNCACB' 1 $sample_1 isotropic 25445 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 25445 1 4 '3D HNCO' 1 $sample_1 isotropic 25445 1 5 '3D i(HCA)CO(CA)NH' 1 $sample_1 isotropic 25445 1 6 '3D (HCA)N(CA)CO(N)H' 1 $sample_1 isotropic 25445 1 7 '3D (HCA)CON(CAN)H' 1 $sample_1 isotropic 25445 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 ARG C C 13 175.30 0.2 . 1 . . . . 293 ARG C . 25445 1 2 . 1 1 2 2 ARG CA C 13 56.40 0.2 . 1 . . . . 293 ARG CA . 25445 1 3 . 1 1 2 2 ARG CB C 13 30.72 0.2 . 1 . . . . 293 ARG CB . 25445 1 4 . 1 1 2 2 ARG N N 15 123.72 0.2 . 1 . . . . 293 ARG N . 25445 1 5 . 1 1 3 3 GLU H H 1 8.54 0.02 . 1 . . . . 294 GLU H . 25445 1 6 . 1 1 3 3 GLU C C 13 175.73 0.2 . 1 . . . . 294 GLU C . 25445 1 7 . 1 1 3 3 GLU CA C 13 56.36 0.2 . 1 . . . . 294 GLU CA . 25445 1 8 . 1 1 3 3 GLU CB C 13 30.47 0.2 . 1 . . . . 294 GLU CB . 25445 1 9 . 1 1 3 3 GLU N N 15 122.93 0.2 . 1 . . . . 294 GLU N . 25445 1 10 . 1 1 4 4 PHE H H 1 8.42 0.02 . 1 . . . . 295 PHE H . 25445 1 11 . 1 1 4 4 PHE C C 13 175.32 0.2 . 1 . . . . 295 PHE C . 25445 1 12 . 1 1 4 4 PHE CA C 13 57.73 0.2 . 1 . . . . 295 PHE CA . 25445 1 13 . 1 1 4 4 PHE CB C 13 39.58 0.2 . 1 . . . . 295 PHE CB . 25445 1 14 . 1 1 4 4 PHE N N 15 122.43 0.2 . 1 . . . . 295 PHE N . 25445 1 15 . 1 1 5 5 ARG H H 1 8.25 0.02 . 1 . . . . 296 ARG H . 25445 1 16 . 1 1 5 5 ARG C C 13 175.57 0.2 . 1 . . . . 296 ARG C . 25445 1 17 . 1 1 5 5 ARG CA C 13 55.88 0.2 . 1 . . . . 296 ARG CA . 25445 1 18 . 1 1 5 5 ARG CB C 13 30.95 0.2 . 1 . . . . 296 ARG CB . 25445 1 19 . 1 1 5 5 ARG N N 15 123.23 0.2 . 1 . . . . 296 ARG N . 25445 1 20 . 1 1 6 6 GLN H H 1 8.40 0.02 . 1 . . . . 297 GLN H . 25445 1 21 . 1 1 6 6 GLN C C 13 175.75 0.2 . 1 . . . . 297 GLN C . 25445 1 22 . 1 1 6 6 GLN CA C 13 55.85 0.2 . 1 . . . . 297 GLN CA . 25445 1 23 . 1 1 6 6 GLN CB C 13 29.50 0.2 . 1 . . . . 297 GLN CB . 25445 1 24 . 1 1 6 6 GLN N N 15 121.91 0.2 . 1 . . . . 297 GLN N . 25445 1 25 . 1 1 7 7 THR H H 1 8.14 0.02 . 1 . . . . 298 THR H . 25445 1 26 . 1 1 7 7 THR C C 13 173.89 0.2 . 1 . . . . 298 THR C . 25445 1 27 . 1 1 7 7 THR CA C 13 61.84 0.2 . 1 . . . . 298 THR CA . 25445 1 28 . 1 1 7 7 THR CB C 13 69.80 0.2 . 1 . . . . 298 THR CB . 25445 1 29 . 1 1 7 7 THR N N 15 115.65 0.2 . 1 . . . . 298 THR N . 25445 1 30 . 1 1 8 8 PHE H H 1 8.26 0.02 . 1 . . . . 299 PHE H . 25445 1 31 . 1 1 8 8 PHE C C 13 175.17 0.2 . 1 . . . . 299 PHE C . 25445 1 32 . 1 1 8 8 PHE CA C 13 57.70 0.2 . 1 . . . . 299 PHE CA . 25445 1 33 . 1 1 8 8 PHE CB C 13 39.59 0.2 . 1 . . . . 299 PHE CB . 25445 1 34 . 1 1 8 8 PHE N N 15 122.57 0.2 . 1 . . . . 299 PHE N . 25445 1 35 . 1 1 9 9 ARG H H 1 8.16 0.02 . 1 . . . . 300 ARG H . 25445 1 36 . 1 1 9 9 ARG C C 13 175.33 0.2 . 1 . . . . 300 ARG C . 25445 1 37 . 1 1 9 9 ARG CA C 13 55.89 0.2 . 1 . . . . 300 ARG CA . 25445 1 38 . 1 1 9 9 ARG CB C 13 30.98 0.2 . 1 . . . . 300 ARG CB . 25445 1 39 . 1 1 9 9 ARG N N 15 122.96 0.2 . 1 . . . . 300 ARG N . 25445 1 40 . 1 1 10 10 LYS H H 1 8.26 0.02 . 1 . . . . 301 LYS H . 25445 1 41 . 1 1 10 10 LYS C C 13 175.95 0.2 . 1 . . . . 301 LYS C . 25445 1 42 . 1 1 10 10 LYS CA C 13 56.32 0.2 . 1 . . . . 301 LYS CA . 25445 1 43 . 1 1 10 10 LYS CB C 13 33.05 0.2 . 1 . . . . 301 LYS CB . 25445 1 44 . 1 1 10 10 LYS N N 15 123.28 0.2 . 1 . . . . 301 LYS N . 25445 1 45 . 1 1 11 11 ILE H H 1 8.23 0.02 . 1 . . . . 302 ILE H . 25445 1 46 . 1 1 11 11 ILE C C 13 175.80 0.2 . 1 . . . . 302 ILE C . 25445 1 47 . 1 1 11 11 ILE CA C 13 60.85 0.2 . 1 . . . . 302 ILE CA . 25445 1 48 . 1 1 11 11 ILE CB C 13 38.61 0.2 . 1 . . . . 302 ILE CB . 25445 1 49 . 1 1 11 11 ILE N N 15 123.59 0.2 . 1 . . . . 302 ILE N . 25445 1 50 . 1 1 12 12 ILE H H 1 8.34 0.02 . 1 . . . . 303 ILE H . 25445 1 51 . 1 1 12 12 ILE C C 13 175.94 0.2 . 1 . . . . 303 ILE C . 25445 1 52 . 1 1 12 12 ILE CA C 13 60.73 0.2 . 1 . . . . 303 ILE CA . 25445 1 53 . 1 1 12 12 ILE CB C 13 38.43 0.2 . 1 . . . . 303 ILE CB . 25445 1 54 . 1 1 12 12 ILE N N 15 126.64 0.2 . 1 . . . . 303 ILE N . 25445 1 55 . 1 1 13 13 ARG H H 1 8.47 0.02 . 1 . . . . 304 ARG H . 25445 1 56 . 1 1 13 13 ARG C C 13 175.90 0.2 . 1 . . . . 304 ARG C . 25445 1 57 . 1 1 13 13 ARG CA C 13 56.02 0.2 . 1 . . . . 304 ARG CA . 25445 1 58 . 1 1 13 13 ARG CB C 13 30.88 0.2 . 1 . . . . 304 ARG CB . 25445 1 59 . 1 1 13 13 ARG N N 15 126.21 0.2 . 1 . . . . 304 ARG N . 25445 1 60 . 1 1 14 14 SER H H 1 8.30 0.02 . 1 . . . . 305 SER H . 25445 1 61 . 1 1 14 14 SER C C 13 174.19 0.2 . 1 . . . . 305 SER C . 25445 1 62 . 1 1 14 14 SER CA C 13 58.24 0.2 . 1 . . . . 305 SER CA . 25445 1 63 . 1 1 14 14 SER CB C 13 63.68 0.2 . 1 . . . . 305 SER CB . 25445 1 64 . 1 1 14 14 SER N N 15 116.86 0.2 . 1 . . . . 305 SER N . 25445 1 65 . 1 1 15 15 HIS C C 13 174.75 0.2 . 1 . . . . 306 HIS C . 25445 1 66 . 1 1 15 15 HIS CA C 13 56.13 0.2 . 1 . . . . 306 HIS CA . 25445 1 67 . 1 1 15 15 HIS CB C 13 30.23 0.2 . 1 . . . . 306 HIS CB . 25445 1 68 . 1 1 16 16 VAL H H 1 8.01 0.02 . 1 . . . . 307 VAL H . 25445 1 69 . 1 1 16 16 VAL C C 13 175.80 0.2 . 1 . . . . 307 VAL C . 25445 1 70 . 1 1 16 16 VAL CA C 13 62.61 0.2 . 1 . . . . 307 VAL CA . 25445 1 71 . 1 1 16 16 VAL CB C 13 32.63 0.2 . 1 . . . . 307 VAL CB . 25445 1 72 . 1 1 16 16 VAL N N 15 121.20 0.2 . 1 . . . . 307 VAL N . 25445 1 73 . 1 1 17 17 LEU H H 1 8.29 0.02 . 1 . . . . 308 LEU H . 25445 1 74 . 1 1 17 17 LEU C C 13 176.97 0.2 . 1 . . . . 308 LEU C . 25445 1 75 . 1 1 17 17 LEU CA C 13 55.15 0.2 . 1 . . . . 308 LEU CA . 25445 1 76 . 1 1 17 17 LEU CB C 13 42.33 0.2 . 1 . . . . 308 LEU CB . 25445 1 77 . 1 1 17 17 LEU N N 15 125.90 0.2 . 1 . . . . 308 LEU N . 25445 1 78 . 1 1 18 18 ARG H H 1 8.31 0.02 . 1 . . . . 309 ARG H . 25445 1 79 . 1 1 18 18 ARG C C 13 175.94 0.2 . 1 . . . . 309 ARG C . 25445 1 80 . 1 1 18 18 ARG CA C 13 56.16 0.2 . 1 . . . . 309 ARG CA . 25445 1 81 . 1 1 18 18 ARG CB C 13 30.80 0.2 . 1 . . . . 309 ARG CB . 25445 1 82 . 1 1 18 18 ARG N N 15 122.18 0.2 . 1 . . . . 309 ARG N . 25445 1 83 . 1 1 19 19 GLN H H 1 8.40 0.02 . 1 . . . . 310 GLN H . 25445 1 84 . 1 1 19 19 GLN C C 13 175.56 0.2 . 1 . . . . 310 GLN C . 25445 1 85 . 1 1 19 19 GLN CA C 13 56.08 0.2 . 1 . . . . 310 GLN CA . 25445 1 86 . 1 1 19 19 GLN CB C 13 29.72 0.2 . 1 . . . . 310 GLN CB . 25445 1 87 . 1 1 19 19 GLN N N 15 121.59 0.2 . 1 . . . . 310 GLN N . 25445 1 88 . 1 1 20 20 GLN H H 1 8.42 0.02 . 1 . . . . 311 GLN H . 25445 1 89 . 1 1 20 20 GLN C C 13 175.47 0.2 . 1 . . . . 311 GLN C . 25445 1 90 . 1 1 20 20 GLN CA C 13 55.73 0.2 . 1 . . . . 311 GLN CA . 25445 1 91 . 1 1 20 20 GLN CB C 13 29.58 0.2 . 1 . . . . 311 GLN CB . 25445 1 92 . 1 1 20 20 GLN N N 15 121.58 0.2 . 1 . . . . 311 GLN N . 25445 1 93 . 1 1 21 21 GLU H H 1 8.47 0.02 . 1 . . . . 312 GLU H . 25445 1 94 . 1 1 21 21 GLU C C 13 174.44 0.2 . 1 . . . . 312 GLU C . 25445 1 95 . 1 1 21 21 GLU CA C 13 54.58 0.2 . 1 . . . . 312 GLU CA . 25445 1 96 . 1 1 21 21 GLU CB C 13 29.78 0.2 . 1 . . . . 312 GLU CB . 25445 1 97 . 1 1 21 21 GLU N N 15 123.71 0.2 . 1 . . . . 312 GLU N . 25445 1 98 . 1 1 22 22 PRO C C 13 176.42 0.2 . 1 . . . . 313 PRO C . 25445 1 99 . 1 1 22 22 PRO CA C 13 63.24 0.2 . 1 . . . . 313 PRO CA . 25445 1 100 . 1 1 22 22 PRO CB C 13 31.95 0.2 . 1 . . . . 313 PRO CB . 25445 1 101 . 1 1 22 22 PRO N N 15 136.96 0.2 . 1 . . . . 313 PRO N . 25445 1 102 . 1 1 23 23 PHE H H 1 8.22 0.02 . 1 . . . . 314 PHE H . 25445 1 103 . 1 1 23 23 PHE C C 13 175.38 0.2 . 1 . . . . 314 PHE C . 25445 1 104 . 1 1 23 23 PHE CA C 13 57.82 0.2 . 1 . . . . 314 PHE CA . 25445 1 105 . 1 1 23 23 PHE CB C 13 39.35 0.2 . 1 . . . . 314 PHE CB . 25445 1 106 . 1 1 23 23 PHE N N 15 120.11 0.2 . 1 . . . . 314 PHE N . 25445 1 107 . 1 1 24 24 LYS H H 1 8.02 0.02 . 1 . . . . 315 LYS H . 25445 1 108 . 1 1 24 24 LYS C C 13 175.42 0.2 . 1 . . . . 315 LYS C . 25445 1 109 . 1 1 24 24 LYS CA C 13 55.83 0.2 . 1 . . . . 315 LYS CA . 25445 1 110 . 1 1 24 24 LYS CB C 13 33.32 0.2 . 1 . . . . 315 LYS CB . 25445 1 111 . 1 1 24 24 LYS N N 15 124.06 0.2 . 1 . . . . 315 LYS N . 25445 1 112 . 1 1 25 25 ALA H H 1 8.21 0.02 . 1 . . . . 316 ALA H . 25445 1 113 . 1 1 25 25 ALA C C 13 177.27 0.2 . 1 . . . . 316 ALA C . 25445 1 114 . 1 1 25 25 ALA CA C 13 52.42 0.2 . 1 . . . . 316 ALA CA . 25445 1 115 . 1 1 25 25 ALA CB C 13 19.26 0.2 . 1 . . . . 316 ALA CB . 25445 1 116 . 1 1 25 25 ALA N N 15 125.85 0.2 . 1 . . . . 316 ALA N . 25445 1 117 . 1 1 26 26 ALA H H 1 8.32 0.02 . 1 . . . . 317 ALA H . 25445 1 118 . 1 1 26 26 ALA C C 13 178.17 0.2 . 1 . . . . 317 ALA C . 25445 1 119 . 1 1 26 26 ALA CA C 13 52.61 0.2 . 1 . . . . 317 ALA CA . 25445 1 120 . 1 1 26 26 ALA CB C 13 19.29 0.2 . 1 . . . . 317 ALA CB . 25445 1 121 . 1 1 26 26 ALA N N 15 123.71 0.2 . 1 . . . . 317 ALA N . 25445 1 122 . 1 1 27 27 GLY H H 1 8.38 0.02 . 1 . . . . 318 GLY H . 25445 1 123 . 1 1 27 27 GLY C C 13 174.39 0.2 . 1 . . . . 318 GLY C . 25445 1 124 . 1 1 27 27 GLY CA C 13 45.44 0.2 . 1 . . . . 318 GLY CA . 25445 1 125 . 1 1 27 27 GLY N N 15 108.15 0.2 . 1 . . . . 318 GLY N . 25445 1 126 . 1 1 28 28 THR H H 1 8.07 0.02 . 1 . . . . 319 THR H . 25445 1 127 . 1 1 28 28 THR C C 13 174.67 0.2 . 1 . . . . 319 THR C . 25445 1 128 . 1 1 28 28 THR CA C 13 61.99 0.2 . 1 . . . . 319 THR CA . 25445 1 129 . 1 1 28 28 THR CB C 13 69.79 0.2 . 1 . . . . 319 THR CB . 25445 1 130 . 1 1 28 28 THR N N 15 113.37 0.2 . 1 . . . . 319 THR N . 25445 1 131 . 1 1 29 29 SER H H 1 8.36 0.02 . 1 . . . . 320 SER H . 25445 1 132 . 1 1 29 29 SER C C 13 174.12 0.2 . 1 . . . . 320 SER C . 25445 1 133 . 1 1 29 29 SER CA C 13 58.53 0.2 . 1 . . . . 320 SER CA . 25445 1 134 . 1 1 29 29 SER CB C 13 63.75 0.2 . 1 . . . . 320 SER CB . 25445 1 135 . 1 1 29 29 SER N N 15 118.16 0.2 . 1 . . . . 320 SER N . 25445 1 136 . 1 1 30 30 ALA H H 1 8.31 0.02 . 1 . . . . 321 ALA H . 25445 1 137 . 1 1 30 30 ALA C C 13 177.60 0.2 . 1 . . . . 321 ALA C . 25445 1 138 . 1 1 30 30 ALA CA C 13 52.79 0.2 . 1 . . . . 321 ALA CA . 25445 1 139 . 1 1 30 30 ALA CB C 13 19.22 0.2 . 1 . . . . 321 ALA CB . 25445 1 140 . 1 1 30 30 ALA N N 15 125.84 0.2 . 1 . . . . 321 ALA N . 25445 1 141 . 1 1 31 31 ARG H H 1 8.21 0.02 . 1 . . . . 322 ARG H . 25445 1 142 . 1 1 31 31 ARG C C 13 176.21 0.2 . 1 . . . . 322 ARG C . 25445 1 143 . 1 1 31 31 ARG CA C 13 56.45 0.2 . 1 . . . . 322 ARG CA . 25445 1 144 . 1 1 31 31 ARG CB C 13 30.78 0.2 . 1 . . . . 322 ARG CB . 25445 1 145 . 1 1 31 31 ARG N N 15 120.13 0.2 . 1 . . . . 322 ARG N . 25445 1 146 . 1 1 32 32 VAL H H 1 8.11 0.02 . 1 . . . . 323 VAL H . 25445 1 147 . 1 1 32 32 VAL C C 13 176.02 0.2 . 1 . . . . 323 VAL C . 25445 1 148 . 1 1 32 32 VAL CA C 13 62.63 0.2 . 1 . . . . 323 VAL CA . 25445 1 149 . 1 1 32 32 VAL CB C 13 32.61 0.2 . 1 . . . . 323 VAL CB . 25445 1 150 . 1 1 32 32 VAL N N 15 121.88 0.2 . 1 . . . . 323 VAL N . 25445 1 151 . 1 1 33 33 LEU H H 1 8.29 0.02 . 1 . . . . 324 LEU H . 25445 1 152 . 1 1 33 33 LEU C C 13 176.86 0.2 . 1 . . . . 324 LEU C . 25445 1 153 . 1 1 33 33 LEU CA C 13 55.13 0.2 . 1 . . . . 324 LEU CA . 25445 1 154 . 1 1 33 33 LEU CB C 13 42.34 0.2 . 1 . . . . 324 LEU CB . 25445 1 155 . 1 1 33 33 LEU N N 15 126.01 0.2 . 1 . . . . 324 LEU N . 25445 1 156 . 1 1 34 34 ALA H H 1 8.18 0.02 . 1 . . . . 325 ALA H . 25445 1 157 . 1 1 34 34 ALA C C 13 177.13 0.2 . 1 . . . . 325 ALA C . 25445 1 158 . 1 1 34 34 ALA CA C 13 52.34 0.2 . 1 . . . . 325 ALA CA . 25445 1 159 . 1 1 34 34 ALA CB C 13 19.27 0.2 . 1 . . . . 325 ALA CB . 25445 1 160 . 1 1 34 34 ALA N N 15 124.67 0.2 . 1 . . . . 325 ALA N . 25445 1 161 . 1 1 35 35 ALA H H 1 8.19 0.02 . 1 . . . . 326 ALA H . 25445 1 162 . 1 1 35 35 ALA C C 13 177.41 0.2 . 1 . . . . 326 ALA C . 25445 1 163 . 1 1 35 35 ALA CA C 13 52.52 0.2 . 1 . . . . 326 ALA CA . 25445 1 164 . 1 1 35 35 ALA CB C 13 19.23 0.2 . 1 . . . . 326 ALA CB . 25445 1 165 . 1 1 35 35 ALA N N 15 123.11 0.2 . 1 . . . . 326 ALA N . 25445 1 166 . 1 1 36 36 HIS H H 1 8.35 0.02 . 1 . . . . 327 HIS H . 25445 1 167 . 1 1 36 36 HIS C C 13 175.28 0.2 . 1 . . . . 327 HIS C . 25445 1 168 . 1 1 36 36 HIS CA C 13 55.70 0.2 . 1 . . . . 327 HIS CA . 25445 1 169 . 1 1 36 36 HIS CB C 13 29.87 0.2 . 1 . . . . 327 HIS CB . 25445 1 170 . 1 1 36 36 HIS N N 15 117.85 0.2 . 1 . . . . 327 HIS N . 25445 1 171 . 1 1 37 37 GLY H H 1 8.42 0.02 . 1 . . . . 328 GLY H . 25445 1 172 . 1 1 37 37 GLY C C 13 174.18 0.2 . 1 . . . . 328 GLY C . 25445 1 173 . 1 1 37 37 GLY CA C 13 45.41 0.2 . 1 . . . . 328 GLY CA . 25445 1 174 . 1 1 37 37 GLY N N 15 110.24 0.2 . 1 . . . . 328 GLY N . 25445 1 175 . 1 1 38 38 SER H H 1 8.38 0.02 . 1 . . . . 329 SER H . 25445 1 176 . 1 1 38 38 SER C C 13 174.39 0.2 . 1 . . . . 329 SER C . 25445 1 177 . 1 1 38 38 SER CA C 13 58.43 0.2 . 1 . . . . 329 SER CA . 25445 1 178 . 1 1 38 38 SER CB C 13 63.86 0.2 . 1 . . . . 329 SER CB . 25445 1 179 . 1 1 38 38 SER N N 15 115.93 0.2 . 1 . . . . 329 SER N . 25445 1 180 . 1 1 39 39 ASP H H 1 8.49 0.02 . 1 . . . . 330 ASP H . 25445 1 181 . 1 1 39 39 ASP C C 13 176.64 0.2 . 1 . . . . 330 ASP C . 25445 1 182 . 1 1 39 39 ASP CA C 13 54.67 0.2 . 1 . . . . 330 ASP CA . 25445 1 183 . 1 1 39 39 ASP CB C 13 41.06 0.2 . 1 . . . . 330 ASP CB . 25445 1 184 . 1 1 39 39 ASP N N 15 122.21 0.2 . 1 . . . . 330 ASP N . 25445 1 185 . 1 1 40 40 GLY H H 1 8.33 0.02 . 1 . . . . 331 GLY H . 25445 1 186 . 1 1 40 40 GLY C C 13 174.25 0.2 . 1 . . . . 331 GLY C . 25445 1 187 . 1 1 40 40 GLY CA C 13 45.53 0.2 . 1 . . . . 331 GLY CA . 25445 1 188 . 1 1 40 40 GLY N N 15 108.81 0.2 . 1 . . . . 331 GLY N . 25445 1 189 . 1 1 41 41 GLU H H 1 8.26 0.02 . 1 . . . . 332 GLU H . 25445 1 190 . 1 1 41 41 GLU C C 13 176.58 0.2 . 1 . . . . 332 GLU C . 25445 1 191 . 1 1 41 41 GLU CA C 13 56.71 0.2 . 1 . . . . 332 GLU CA . 25445 1 192 . 1 1 41 41 GLU CB C 13 30.25 0.2 . 1 . . . . 332 GLU CB . 25445 1 193 . 1 1 41 41 GLU N N 15 120.66 0.2 . 1 . . . . 332 GLU N . 25445 1 194 . 1 1 42 42 GLN H H 1 8.45 0.02 . 1 . . . . 333 GLN H . 25445 1 195 . 1 1 42 42 GLN C C 13 176.19 0.2 . 1 . . . . 333 GLN C . 25445 1 196 . 1 1 42 42 GLN CA C 13 56.17 0.2 . 1 . . . . 333 GLN CA . 25445 1 197 . 1 1 42 42 GLN CB C 13 29.18 0.2 . 1 . . . . 333 GLN CB . 25445 1 198 . 1 1 42 42 GLN N N 15 121.16 0.2 . 1 . . . . 333 GLN N . 25445 1 199 . 1 1 43 43 VAL H H 1 8.16 0.02 . 1 . . . . 334 VAL H . 25445 1 200 . 1 1 43 43 VAL C C 13 176.22 0.2 . 1 . . . . 334 VAL C . 25445 1 201 . 1 1 43 43 VAL CA C 13 62.90 0.2 . 1 . . . . 334 VAL CA . 25445 1 202 . 1 1 43 43 VAL CB C 13 32.63 0.2 . 1 . . . . 334 VAL CB . 25445 1 203 . 1 1 43 43 VAL N N 15 121.18 0.2 . 1 . . . . 334 VAL N . 25445 1 204 . 1 1 44 44 SER H H 1 8.33 0.02 . 1 . . . . 335 SER H . 25445 1 205 . 1 1 44 44 SER C C 13 174.55 0.2 . 1 . . . . 335 SER C . 25445 1 206 . 1 1 44 44 SER CA C 13 58.65 0.2 . 1 . . . . 335 SER CA . 25445 1 207 . 1 1 44 44 SER CB C 13 63.66 0.2 . 1 . . . . 335 SER CB . 25445 1 208 . 1 1 44 44 SER N N 15 118.54 0.2 . 1 . . . . 335 SER N . 25445 1 209 . 1 1 45 45 LEU H H 1 8.18 0.02 . 1 . . . . 336 LEU H . 25445 1 210 . 1 1 45 45 LEU C C 13 177.20 0.2 . 1 . . . . 336 LEU C . 25445 1 211 . 1 1 45 45 LEU CA C 13 55.57 0.2 . 1 . . . . 336 LEU CA . 25445 1 212 . 1 1 45 45 LEU CB C 13 42.36 0.2 . 1 . . . . 336 LEU CB . 25445 1 213 . 1 1 45 45 LEU N N 15 124.07 0.2 . 1 . . . . 336 LEU N . 25445 1 214 . 1 1 46 46 ARG H H 1 8.18 0.02 . 1 . . . . 337 ARG H . 25445 1 215 . 1 1 46 46 ARG C C 13 176.21 0.2 . 1 . . . . 337 ARG C . 25445 1 216 . 1 1 46 46 ARG CA C 13 56.18 0.2 . 1 . . . . 337 ARG CA . 25445 1 217 . 1 1 46 46 ARG CB C 13 30.47 0.2 . 1 . . . . 337 ARG CB . 25445 1 218 . 1 1 46 46 ARG N N 15 121.05 0.2 . 1 . . . . 337 ARG N . 25445 1 219 . 1 1 47 47 LEU H H 1 8.22 0.02 . 1 . . . . 338 LEU H . 25445 1 220 . 1 1 47 47 LEU C C 13 177.06 0.2 . 1 . . . . 338 LEU C . 25445 1 221 . 1 1 47 47 LEU CA C 13 55.21 0.2 . 1 . . . . 338 LEU CA . 25445 1 222 . 1 1 47 47 LEU CB C 13 42.22 0.2 . 1 . . . . 338 LEU CB . 25445 1 223 . 1 1 47 47 LEU N N 15 122.72 0.2 . 1 . . . . 338 LEU N . 25445 1 224 . 1 1 48 48 ASN H H 1 8.39 0.02 . 1 . . . . 339 ASN H . 25445 1 225 . 1 1 48 48 ASN C C 13 175.36 0.2 . 1 . . . . 339 ASN C . 25445 1 226 . 1 1 48 48 ASN CA C 13 53.30 0.2 . 1 . . . . 339 ASN CA . 25445 1 227 . 1 1 48 48 ASN CB C 13 38.90 0.2 . 1 . . . . 339 ASN CB . 25445 1 228 . 1 1 48 48 ASN N N 15 118.82 0.2 . 1 . . . . 339 ASN N . 25445 1 229 . 1 1 49 49 GLY H H 1 8.27 0.02 . 1 . . . . 340 GLY H . 25445 1 230 . 1 1 49 49 GLY C C 13 173.30 0.2 . 1 . . . . 340 GLY C . 25445 1 231 . 1 1 49 49 GLY CA C 13 45.21 0.2 . 1 . . . . 340 GLY CA . 25445 1 232 . 1 1 49 49 GLY N N 15 108.45 0.2 . 1 . . . . 340 GLY N . 25445 1 233 . 1 1 50 50 HIS H H 1 8.11 0.02 . 1 . . . . 341 HIS H . 25445 1 234 . 1 1 50 50 HIS C C 13 172.26 0.2 . 1 . . . . 341 HIS C . 25445 1 235 . 1 1 50 50 HIS CA C 13 53.60 0.2 . 1 . . . . 341 HIS CA . 25445 1 236 . 1 1 50 50 HIS CB C 13 29.36 0.2 . 1 . . . . 341 HIS CB . 25445 1 237 . 1 1 50 50 HIS N N 15 119.10 0.2 . 1 . . . . 341 HIS N . 25445 1 238 . 1 1 51 51 PRO N N 15 139.07 0.2 . 1 . . . . 342 PRO N . 25445 1 239 . 1 1 52 52 PRO C C 13 177.26 0.2 . 1 . . . . 343 PRO C . 25445 1 240 . 1 1 52 52 PRO CA C 13 63.26 0.2 . 1 . . . . 343 PRO CA . 25445 1 241 . 1 1 52 52 PRO CB C 13 32.07 0.2 . 1 . . . . 343 PRO CB . 25445 1 242 . 1 1 52 52 PRO N N 15 135.17 0.2 . 1 . . . . 343 PRO N . 25445 1 243 . 1 1 53 53 GLY H H 1 8.36 0.02 . 1 . . . . 344 GLY H . 25445 1 244 . 1 1 53 53 GLY C C 13 173.79 0.2 . 1 . . . . 344 GLY C . 25445 1 245 . 1 1 53 53 GLY CA C 13 45.22 0.2 . 1 . . . . 344 GLY CA . 25445 1 246 . 1 1 53 53 GLY N N 15 108.88 0.2 . 1 . . . . 344 GLY N . 25445 1 247 . 1 1 54 54 VAL H H 1 7.77 0.02 . 1 . . . . 345 VAL H . 25445 1 248 . 1 1 54 54 VAL C C 13 175.58 0.2 . 1 . . . . 345 VAL C . 25445 1 249 . 1 1 54 54 VAL CA C 13 62.33 0.2 . 1 . . . . 345 VAL CA . 25445 1 250 . 1 1 54 54 VAL CB C 13 32.64 0.2 . 1 . . . . 345 VAL CB . 25445 1 251 . 1 1 54 54 VAL N N 15 118.96 0.2 . 1 . . . . 345 VAL N . 25445 1 252 . 1 1 55 55 TRP H H 1 8.21 0.02 . 1 . . . . 346 TRP H . 25445 1 253 . 1 1 55 55 TRP HE1 H 1 10.08 0.02 . 1 . . . . 346 TRP HE1 . 25445 1 254 . 1 1 55 55 TRP C C 13 175.85 0.2 . 1 . . . . 346 TRP C . 25445 1 255 . 1 1 55 55 TRP CA C 13 56.75 0.2 . 1 . . . . 346 TRP CA . 25445 1 256 . 1 1 55 55 TRP CB C 13 29.58 0.2 . 1 . . . . 346 TRP CB . 25445 1 257 . 1 1 55 55 TRP N N 15 124.52 0.2 . 1 . . . . 346 TRP N . 25445 1 258 . 1 1 55 55 TRP NE1 N 15 129.24 0.2 . 1 . . . . 346 TRP NE1 . 25445 1 259 . 1 1 56 56 ALA H H 1 8.15 0.02 . 1 . . . . 347 ALA H . 25445 1 260 . 1 1 56 56 ALA C C 13 177.12 0.2 . 1 . . . . 347 ALA C . 25445 1 261 . 1 1 56 56 ALA CA C 13 52.58 0.2 . 1 . . . . 347 ALA CA . 25445 1 262 . 1 1 56 56 ALA CB C 13 19.28 0.2 . 1 . . . . 347 ALA CB . 25445 1 263 . 1 1 56 56 ALA N N 15 125.85 0.2 . 1 . . . . 347 ALA N . 25445 1 264 . 1 1 57 57 ASN H H 1 8.22 0.02 . 1 . . . . 348 ASN H . 25445 1 265 . 1 1 57 57 ASN C C 13 175.67 0.2 . 1 . . . . 348 ASN C . 25445 1 266 . 1 1 57 57 ASN CA C 13 53.46 0.2 . 1 . . . . 348 ASN CA . 25445 1 267 . 1 1 57 57 ASN CB C 13 38.66 0.2 . 1 . . . . 348 ASN CB . 25445 1 268 . 1 1 57 57 ASN N N 15 117.53 0.2 . 1 . . . . 348 ASN N . 25445 1 269 . 1 1 58 58 GLY H H 1 8.33 0.02 . 1 . . . . 349 GLY H . 25445 1 270 . 1 1 58 58 GLY C C 13 173.99 0.2 . 1 . . . . 349 GLY C . 25445 1 271 . 1 1 58 58 GLY CA C 13 45.56 0.2 . 1 . . . . 349 GLY CA . 25445 1 272 . 1 1 58 58 GLY N N 15 109.31 0.2 . 1 . . . . 349 GLY N . 25445 1 273 . 1 1 59 59 SER H H 1 8.09 0.02 . 1 . . . . 350 SER H . 25445 1 274 . 1 1 59 59 SER C C 13 173.41 0.2 . 1 . . . . 350 SER C . 25445 1 275 . 1 1 59 59 SER CA C 13 58.11 0.2 . 1 . . . . 350 SER CA . 25445 1 276 . 1 1 59 59 SER CB C 13 64.10 0.2 . 1 . . . . 350 SER CB . 25445 1 277 . 1 1 59 59 SER N N 15 115.45 0.2 . 1 . . . . 350 SER N . 25445 1 278 . 1 1 60 60 ALA H H 1 8.15 0.02 . 1 . . . . 351 ALA H . 25445 1 279 . 1 1 60 60 ALA C C 13 175.17 0.2 . 1 . . . . 351 ALA C . 25445 1 280 . 1 1 60 60 ALA CA C 13 50.55 0.2 . 1 . . . . 351 ALA CA . 25445 1 281 . 1 1 60 60 ALA CB C 13 18.25 0.2 . 1 . . . . 351 ALA CB . 25445 1 282 . 1 1 60 60 ALA N N 15 126.63 0.2 . 1 . . . . 351 ALA N . 25445 1 283 . 1 1 61 61 PRO C C 13 176.20 0.2 . 1 . . . . 352 PRO C . 25445 1 284 . 1 1 61 61 PRO CA C 13 62.94 0.2 . 1 . . . . 352 PRO CA . 25445 1 285 . 1 1 61 61 PRO CB C 13 32.05 0.2 . 1 . . . . 352 PRO CB . 25445 1 286 . 1 1 61 61 PRO N N 15 135.17 0.2 . 1 . . . . 352 PRO N . 25445 1 287 . 1 1 62 62 HIS H H 1 8.38 0.02 . 1 . . . . 353 HIS H . 25445 1 288 . 1 1 62 62 HIS C C 13 172.93 0.2 . 1 . . . . 353 HIS C . 25445 1 289 . 1 1 62 62 HIS CA C 13 53.66 0.2 . 1 . . . . 353 HIS CA . 25445 1 290 . 1 1 62 62 HIS CB C 13 29.31 0.2 . 1 . . . . 353 HIS CB . 25445 1 291 . 1 1 62 62 HIS N N 15 119.12 0.2 . 1 . . . . 353 HIS N . 25445 1 292 . 1 1 63 63 PRO C C 13 176.75 0.2 . 1 . . . . 354 PRO C . 25445 1 293 . 1 1 63 63 PRO CA C 13 63.43 0.2 . 1 . . . . 354 PRO CA . 25445 1 294 . 1 1 63 63 PRO CB C 13 31.95 0.2 . 1 . . . . 354 PRO CB . 25445 1 295 . 1 1 63 63 PRO N N 15 137.46 0.2 . 1 . . . . 354 PRO N . 25445 1 296 . 1 1 64 64 GLU H H 1 8.89 0.02 . 1 . . . . 355 GLU H . 25445 1 297 . 1 1 64 64 GLU C C 13 176.17 0.2 . 1 . . . . 355 GLU C . 25445 1 298 . 1 1 64 64 GLU CA C 13 56.65 0.2 . 1 . . . . 355 GLU CA . 25445 1 299 . 1 1 64 64 GLU CB C 13 29.99 0.2 . 1 . . . . 355 GLU CB . 25445 1 300 . 1 1 64 64 GLU N N 15 121.35 0.2 . 1 . . . . 355 GLU N . 25445 1 301 . 1 1 65 65 ARG H H 1 8.30 0.02 . 1 . . . . 356 ARG H . 25445 1 302 . 1 1 65 65 ARG C C 13 175.69 0.2 . 1 . . . . 356 ARG C . 25445 1 303 . 1 1 65 65 ARG CA C 13 55.89 0.2 . 1 . . . . 356 ARG CA . 25445 1 304 . 1 1 65 65 ARG CB C 13 30.83 0.2 . 1 . . . . 356 ARG CB . 25445 1 305 . 1 1 65 65 ARG N N 15 122.33 0.2 . 1 . . . . 356 ARG N . 25445 1 306 . 1 1 66 66 ARG H H 1 8.37 0.02 . 1 . . . . 357 ARG H . 25445 1 307 . 1 1 66 66 ARG C C 13 174.17 0.2 . 1 . . . . 357 ARG C . 25445 1 308 . 1 1 66 66 ARG CA C 13 53.78 0.2 . 1 . . . . 357 ARG CA . 25445 1 309 . 1 1 66 66 ARG CB C 13 30.34 0.2 . 1 . . . . 357 ARG CB . 25445 1 310 . 1 1 66 66 ARG N N 15 123.58 0.2 . 1 . . . . 357 ARG N . 25445 1 311 . 1 1 67 67 PRO C C 13 176.55 0.2 . 1 . . . . 358 PRO C . 25445 1 312 . 1 1 67 67 PRO CA C 13 63.26 0.2 . 1 . . . . 358 PRO CA . 25445 1 313 . 1 1 67 67 PRO CB C 13 31.99 0.2 . 1 . . . . 358 PRO CB . 25445 1 314 . 1 1 67 67 PRO N N 15 137.08 0.2 . 1 . . . . 358 PRO N . 25445 1 315 . 1 1 68 68 ASN H H 1 8.52 0.02 . 1 . . . . 359 ASN H . 25445 1 316 . 1 1 68 68 ASN C C 13 175.65 0.2 . 1 . . . . 359 ASN C . 25445 1 317 . 1 1 68 68 ASN CA C 13 53.54 0.2 . 1 . . . . 359 ASN CA . 25445 1 318 . 1 1 68 68 ASN CB C 13 38.81 0.2 . 1 . . . . 359 ASN CB . 25445 1 319 . 1 1 68 68 ASN N N 15 118.55 0.2 . 1 . . . . 359 ASN N . 25445 1 320 . 1 1 69 69 GLY H H 1 8.36 0.02 . 1 . . . . 360 GLY H . 25445 1 321 . 1 1 69 69 GLY C C 13 173.93 0.2 . 1 . . . . 360 GLY C . 25445 1 322 . 1 1 69 69 GLY CA C 13 45.56 0.2 . 1 . . . . 360 GLY CA . 25445 1 323 . 1 1 69 69 GLY N N 15 109.09 0.2 . 1 . . . . 360 GLY N . 25445 1 324 . 1 1 70 70 TYR H H 1 8.00 0.02 . 1 . . . . 361 TYR H . 25445 1 325 . 1 1 70 70 TYR C C 13 175.62 0.2 . 1 . . . . 361 TYR C . 25445 1 326 . 1 1 70 70 TYR CA C 13 58.20 0.2 . 1 . . . . 361 TYR CA . 25445 1 327 . 1 1 70 70 TYR CB C 13 38.76 0.2 . 1 . . . . 361 TYR CB . 25445 1 328 . 1 1 70 70 TYR N N 15 120.28 0.2 . 1 . . . . 361 TYR N . 25445 1 329 . 1 1 71 71 ALA H H 1 8.19 0.02 . 1 . . . . 362 ALA H . 25445 1 330 . 1 1 71 71 ALA C C 13 177.32 0.2 . 1 . . . . 362 ALA C . 25445 1 331 . 1 1 71 71 ALA CA C 13 52.59 0.2 . 1 . . . . 362 ALA CA . 25445 1 332 . 1 1 71 71 ALA CB C 13 19.20 0.2 . 1 . . . . 362 ALA CB . 25445 1 333 . 1 1 71 71 ALA N N 15 125.18 0.2 . 1 . . . . 362 ALA N . 25445 1 334 . 1 1 72 72 LEU H H 1 8.00 0.02 . 1 . . . . 363 LEU H . 25445 1 335 . 1 1 72 72 LEU C C 13 177.76 0.2 . 1 . . . . 363 LEU C . 25445 1 336 . 1 1 72 72 LEU CA C 13 55.53 0.2 . 1 . . . . 363 LEU CA . 25445 1 337 . 1 1 72 72 LEU CB C 13 42.34 0.2 . 1 . . . . 363 LEU CB . 25445 1 338 . 1 1 72 72 LEU N N 15 120.63 0.2 . 1 . . . . 363 LEU N . 25445 1 339 . 1 1 73 73 GLY H H 1 8.27 0.02 . 1 . . . . 364 GLY H . 25445 1 340 . 1 1 73 73 GLY C C 13 173.89 0.2 . 1 . . . . 364 GLY C . 25445 1 341 . 1 1 73 73 GLY CA C 13 45.43 0.2 . 1 . . . . 364 GLY CA . 25445 1 342 . 1 1 73 73 GLY N N 15 108.90 0.2 . 1 . . . . 364 GLY N . 25445 1 343 . 1 1 74 74 LEU H H 1 7.97 0.02 . 1 . . . . 365 LEU H . 25445 1 344 . 1 1 74 74 LEU C C 13 177.34 0.2 . 1 . . . . 365 LEU C . 25445 1 345 . 1 1 74 74 LEU CA C 13 55.17 0.2 . 1 . . . . 365 LEU CA . 25445 1 346 . 1 1 74 74 LEU CB C 13 42.43 0.2 . 1 . . . . 365 LEU CB . 25445 1 347 . 1 1 74 74 LEU N N 15 121.38 0.2 . 1 . . . . 365 LEU N . 25445 1 348 . 1 1 75 75 VAL H H 1 8.12 0.02 . 1 . . . . 366 VAL H . 25445 1 349 . 1 1 75 75 VAL C C 13 176.07 0.2 . 1 . . . . 366 VAL C . 25445 1 350 . 1 1 75 75 VAL CA C 13 62.19 0.2 . 1 . . . . 366 VAL CA . 25445 1 351 . 1 1 75 75 VAL CB C 13 32.80 0.2 . 1 . . . . 366 VAL CB . 25445 1 352 . 1 1 75 75 VAL N N 15 120.62 0.2 . 1 . . . . 366 VAL N . 25445 1 353 . 1 1 76 76 SER H H 1 8.38 0.02 . 1 . . . . 367 SER H . 25445 1 354 . 1 1 76 76 SER C C 13 174.89 0.2 . 1 . . . . 367 SER C . 25445 1 355 . 1 1 76 76 SER CA C 13 58.19 0.2 . 1 . . . . 367 SER CA . 25445 1 356 . 1 1 76 76 SER CB C 13 63.70 0.2 . 1 . . . . 367 SER CB . 25445 1 357 . 1 1 76 76 SER N N 15 119.40 0.2 . 1 . . . . 367 SER N . 25445 1 358 . 1 1 77 77 GLY H H 1 8.46 0.02 . 1 . . . . 368 GLY H . 25445 1 359 . 1 1 77 77 GLY C C 13 174.52 0.2 . 1 . . . . 368 GLY C . 25445 1 360 . 1 1 77 77 GLY CA C 13 45.48 0.2 . 1 . . . . 368 GLY CA . 25445 1 361 . 1 1 77 77 GLY N N 15 111.19 0.2 . 1 . . . . 368 GLY N . 25445 1 362 . 1 1 78 78 GLY H H 1 8.30 0.02 . 1 . . . . 369 GLY H . 25445 1 363 . 1 1 78 78 GLY C C 13 174.07 0.2 . 1 . . . . 369 GLY C . 25445 1 364 . 1 1 78 78 GLY CA C 13 45.32 0.2 . 1 . . . . 369 GLY CA . 25445 1 365 . 1 1 78 78 GLY N N 15 108.75 0.2 . 1 . . . . 369 GLY N . 25445 1 366 . 1 1 79 79 SER H H 1 8.28 0.02 . 1 . . . . 370 SER H . 25445 1 367 . 1 1 79 79 SER C C 13 174.40 0.2 . 1 . . . . 370 SER C . 25445 1 368 . 1 1 79 79 SER CA C 13 58.23 0.2 . 1 . . . . 370 SER CA . 25445 1 369 . 1 1 79 79 SER CB C 13 64.01 0.2 . 1 . . . . 370 SER CB . 25445 1 370 . 1 1 79 79 SER N N 15 115.74 0.2 . 1 . . . . 370 SER N . 25445 1 371 . 1 1 80 80 ALA H H 1 8.45 0.02 . 1 . . . . 371 ALA H . 25445 1 372 . 1 1 80 80 ALA C C 13 177.72 0.2 . 1 . . . . 371 ALA C . 25445 1 373 . 1 1 80 80 ALA CA C 13 52.85 0.2 . 1 . . . . 371 ALA CA . 25445 1 374 . 1 1 80 80 ALA CB C 13 19.06 0.2 . 1 . . . . 371 ALA CB . 25445 1 375 . 1 1 80 80 ALA N N 15 125.96 0.2 . 1 . . . . 371 ALA N . 25445 1 376 . 1 1 81 81 GLN H H 1 8.31 0.02 . 1 . . . . 372 GLN H . 25445 1 377 . 1 1 81 81 GLN C C 13 176.12 0.2 . 1 . . . . 372 GLN C . 25445 1 378 . 1 1 81 81 GLN CA C 13 56.14 0.2 . 1 . . . . 372 GLN CA . 25445 1 379 . 1 1 81 81 GLN CB C 13 29.39 0.2 . 1 . . . . 372 GLN CB . 25445 1 380 . 1 1 81 81 GLN N N 15 119.01 0.2 . 1 . . . . 372 GLN N . 25445 1 381 . 1 1 82 82 GLU H H 1 8.40 0.02 . 1 . . . . 373 GLU H . 25445 1 382 . 1 1 82 82 GLU C C 13 176.53 0.2 . 1 . . . . 373 GLU C . 25445 1 383 . 1 1 82 82 GLU CA C 13 56.85 0.2 . 1 . . . . 373 GLU CA . 25445 1 384 . 1 1 82 82 GLU CB C 13 30.27 0.2 . 1 . . . . 373 GLU CB . 25445 1 385 . 1 1 82 82 GLU N N 15 121.76 0.2 . 1 . . . . 373 GLU N . 25445 1 386 . 1 1 83 83 SER H H 1 8.33 0.02 . 1 . . . . 374 SER H . 25445 1 387 . 1 1 83 83 SER C C 13 174.54 0.2 . 1 . . . . 374 SER C . 25445 1 388 . 1 1 83 83 SER CA C 13 58.48 0.2 . 1 . . . . 374 SER CA . 25445 1 389 . 1 1 83 83 SER CB C 13 63.74 0.2 . 1 . . . . 374 SER CB . 25445 1 390 . 1 1 83 83 SER N N 15 116.47 0.2 . 1 . . . . 374 SER N . 25445 1 391 . 1 1 84 84 GLN H H 1 8.43 0.02 . 1 . . . . 375 GLN H . 25445 1 392 . 1 1 84 84 GLN C C 13 176.30 0.2 . 1 . . . . 375 GLN C . 25445 1 393 . 1 1 84 84 GLN CA C 13 56.10 0.2 . 1 . . . . 375 GLN CA . 25445 1 394 . 1 1 84 84 GLN CB C 13 29.39 0.2 . 1 . . . . 375 GLN CB . 25445 1 395 . 1 1 84 84 GLN N N 15 122.06 0.2 . 1 . . . . 375 GLN N . 25445 1 396 . 1 1 85 85 GLY H H 1 8.40 0.02 . 1 . . . . 376 GLY H . 25445 1 397 . 1 1 85 85 GLY C C 13 173.75 0.2 . 1 . . . . 376 GLY C . 25445 1 398 . 1 1 85 85 GLY CA C 13 45.44 0.2 . 1 . . . . 376 GLY CA . 25445 1 399 . 1 1 85 85 GLY N N 15 109.47 0.2 . 1 . . . . 376 GLY N . 25445 1 400 . 1 1 86 86 ASN H H 1 8.38 0.02 . 1 . . . . 377 ASN H . 25445 1 401 . 1 1 86 86 ASN C C 13 175.51 0.2 . 1 . . . . 377 ASN C . 25445 1 402 . 1 1 86 86 ASN CA C 13 53.19 0.2 . 1 . . . . 377 ASN CA . 25445 1 403 . 1 1 86 86 ASN CB C 13 38.95 0.2 . 1 . . . . 377 ASN CB . 25445 1 404 . 1 1 86 86 ASN N N 15 118.88 0.2 . 1 . . . . 377 ASN N . 25445 1 405 . 1 1 87 87 THR H H 1 8.23 0.02 . 1 . . . . 378 THR H . 25445 1 406 . 1 1 87 87 THR C C 13 174.97 0.2 . 1 . . . . 378 THR C . 25445 1 407 . 1 1 87 87 THR CA C 13 62.14 0.2 . 1 . . . . 378 THR CA . 25445 1 408 . 1 1 87 87 THR CB C 13 69.75 0.2 . 1 . . . . 378 THR CB . 25445 1 409 . 1 1 87 87 THR N N 15 113.76 0.2 . 1 . . . . 378 THR N . 25445 1 410 . 1 1 88 88 GLY H H 1 8.43 0.02 . 1 . . . . 379 GLY H . 25445 1 411 . 1 1 88 88 GLY C C 13 173.52 0.2 . 1 . . . . 379 GLY C . 25445 1 412 . 1 1 88 88 GLY CA C 13 45.09 0.2 . 1 . . . . 379 GLY CA . 25445 1 413 . 1 1 88 88 GLY N N 15 111.02 0.2 . 1 . . . . 379 GLY N . 25445 1 414 . 1 1 89 89 LEU H H 1 8.08 0.02 . 1 . . . . 380 LEU H . 25445 1 415 . 1 1 89 89 LEU C C 13 175.17 0.2 . 1 . . . . 380 LEU C . 25445 1 416 . 1 1 89 89 LEU CA C 13 53.07 0.2 . 1 . . . . 380 LEU CA . 25445 1 417 . 1 1 89 89 LEU CB C 13 41.68 0.2 . 1 . . . . 380 LEU CB . 25445 1 418 . 1 1 89 89 LEU N N 15 122.93 0.2 . 1 . . . . 380 LEU N . 25445 1 419 . 1 1 90 90 PRO C C 13 176.40 0.2 . 1 . . . . 381 PRO C . 25445 1 420 . 1 1 90 90 PRO CA C 13 63.13 0.2 . 1 . . . . 381 PRO CA . 25445 1 421 . 1 1 90 90 PRO CB C 13 32.05 0.2 . 1 . . . . 381 PRO CB . 25445 1 422 . 1 1 90 90 PRO N N 15 136.05 0.2 . 1 . . . . 381 PRO N . 25445 1 423 . 1 1 91 91 ASP H H 1 8.38 0.02 . 1 . . . . 382 ASP H . 25445 1 424 . 1 1 91 91 ASP C C 13 176.43 0.2 . 1 . . . . 382 ASP C . 25445 1 425 . 1 1 91 91 ASP CA C 13 54.56 0.2 . 1 . . . . 382 ASP CA . 25445 1 426 . 1 1 91 91 ASP CB C 13 41.01 0.2 . 1 . . . . 382 ASP CB . 25445 1 427 . 1 1 91 91 ASP N N 15 120.57 0.2 . 1 . . . . 382 ASP N . 25445 1 428 . 1 1 92 92 VAL H H 1 8.03 0.02 . 1 . . . . 383 VAL H . 25445 1 429 . 1 1 92 92 VAL C C 13 176.27 0.2 . 1 . . . . 383 VAL C . 25445 1 430 . 1 1 92 92 VAL CA C 13 62.74 0.2 . 1 . . . . 383 VAL CA . 25445 1 431 . 1 1 92 92 VAL CB C 13 32.62 0.2 . 1 . . . . 383 VAL CB . 25445 1 432 . 1 1 92 92 VAL N N 15 119.67 0.2 . 1 . . . . 383 VAL N . 25445 1 433 . 1 1 93 93 GLU H H 1 8.41 0.02 . 1 . . . . 384 GLU H . 25445 1 434 . 1 1 93 93 GLU C C 13 176.57 0.2 . 1 . . . . 384 GLU C . 25445 1 435 . 1 1 93 93 GLU CA C 13 57.02 0.2 . 1 . . . . 384 GLU CA . 25445 1 436 . 1 1 93 93 GLU CB C 13 29.99 0.2 . 1 . . . . 384 GLU CB . 25445 1 437 . 1 1 93 93 GLU N N 15 123.55 0.2 . 1 . . . . 384 GLU N . 25445 1 438 . 1 1 94 94 LEU H H 1 8.12 0.02 . 1 . . . . 385 LEU H . 25445 1 439 . 1 1 94 94 LEU C C 13 177.43 0.2 . 1 . . . . 385 LEU C . 25445 1 440 . 1 1 94 94 LEU CA C 13 55.58 0.2 . 1 . . . . 385 LEU CA . 25445 1 441 . 1 1 94 94 LEU CB C 13 42.16 0.2 . 1 . . . . 385 LEU CB . 25445 1 442 . 1 1 94 94 LEU N N 15 122.75 0.2 . 1 . . . . 385 LEU N . 25445 1 443 . 1 1 95 95 LEU H H 1 8.13 0.02 . 1 . . . . 386 LEU H . 25445 1 444 . 1 1 95 95 LEU C C 13 177.40 0.2 . 1 . . . . 386 LEU C . 25445 1 445 . 1 1 95 95 LEU CA C 13 55.32 0.2 . 1 . . . . 386 LEU CA . 25445 1 446 . 1 1 95 95 LEU CB C 13 42.19 0.2 . 1 . . . . 386 LEU CB . 25445 1 447 . 1 1 95 95 LEU N N 15 121.85 0.2 . 1 . . . . 386 LEU N . 25445 1 448 . 1 1 96 96 SER H H 1 8.14 0.02 . 1 . . . . 387 SER H . 25445 1 449 . 1 1 96 96 SER C C 13 174.64 0.2 . 1 . . . . 387 SER C . 25445 1 450 . 1 1 96 96 SER CA C 13 58.66 0.2 . 1 . . . . 387 SER CA . 25445 1 451 . 1 1 96 96 SER CB C 13 63.67 0.2 . 1 . . . . 387 SER CB . 25445 1 452 . 1 1 96 96 SER N N 15 115.58 0.2 . 1 . . . . 387 SER N . 25445 1 453 . 1 1 97 97 HIS H H 1 8.34 0.02 . 1 . . . . 388 HIS H . 25445 1 454 . 1 1 97 97 HIS C C 13 174.77 0.2 . 1 . . . . 388 HIS C . 25445 1 455 . 1 1 97 97 HIS CA C 13 56.14 0.2 . 1 . . . . 388 HIS CA . 25445 1 456 . 1 1 97 97 HIS CB C 13 29.70 0.2 . 1 . . . . 388 HIS CB . 25445 1 457 . 1 1 97 97 HIS N N 15 120.58 0.2 . 1 . . . . 388 HIS N . 25445 1 458 . 1 1 98 98 GLU H H 1 8.32 0.02 . 1 . . . . 389 GLU H . 25445 1 459 . 1 1 98 98 GLU C C 13 176.27 0.2 . 1 . . . . 389 GLU C . 25445 1 460 . 1 1 98 98 GLU CA C 13 56.79 0.2 . 1 . . . . 389 GLU CA . 25445 1 461 . 1 1 98 98 GLU CB C 13 30.22 0.2 . 1 . . . . 389 GLU CB . 25445 1 462 . 1 1 98 98 GLU N N 15 121.21 0.2 . 1 . . . . 389 GLU N . 25445 1 463 . 1 1 99 99 LEU H H 1 8.25 0.02 . 1 . . . . 390 LEU H . 25445 1 464 . 1 1 99 99 LEU C C 13 177.12 0.2 . 1 . . . . 390 LEU C . 25445 1 465 . 1 1 99 99 LEU CA C 13 55.22 0.2 . 1 . . . . 390 LEU CA . 25445 1 466 . 1 1 99 99 LEU CB C 13 42.13 0.2 . 1 . . . . 390 LEU CB . 25445 1 467 . 1 1 99 99 LEU N N 15 123.10 0.2 . 1 . . . . 390 LEU N . 25445 1 468 . 1 1 100 100 LYS H H 1 8.25 0.02 . 1 . . . . 391 LYS H . 25445 1 469 . 1 1 100 100 LYS C C 13 176.85 0.2 . 1 . . . . 391 LYS C . 25445 1 470 . 1 1 100 100 LYS CA C 13 56.36 0.2 . 1 . . . . 391 LYS CA . 25445 1 471 . 1 1 100 100 LYS CB C 13 32.96 0.2 . 1 . . . . 391 LYS CB . 25445 1 472 . 1 1 100 100 LYS N N 15 122.11 0.2 . 1 . . . . 391 LYS N . 25445 1 473 . 1 1 101 101 GLY H H 1 8.37 0.02 . 1 . . . . 392 GLY H . 25445 1 474 . 1 1 101 101 GLY C C 13 173.74 0.2 . 1 . . . . 392 GLY C . 25445 1 475 . 1 1 101 101 GLY CA C 13 45.21 0.2 . 1 . . . . 392 GLY CA . 25445 1 476 . 1 1 101 101 GLY N N 15 109.99 0.2 . 1 . . . . 392 GLY N . 25445 1 477 . 1 1 102 102 VAL H H 1 7.96 0.02 . 1 . . . . 393 VAL H . 25445 1 478 . 1 1 102 102 VAL C C 13 175.80 0.2 . 1 . . . . 393 VAL C . 25445 1 479 . 1 1 102 102 VAL CA C 13 62.15 0.2 . 1 . . . . 393 VAL CA . 25445 1 480 . 1 1 102 102 VAL CB C 13 32.83 0.2 . 1 . . . . 393 VAL CB . 25445 1 481 . 1 1 102 102 VAL N N 15 119.05 0.2 . 1 . . . . 393 VAL N . 25445 1 482 . 1 1 103 103 CYS H H 1 8.51 0.02 . 1 . . . . 394 CYS H . 25445 1 483 . 1 1 103 103 CYS C C 13 172.48 0.2 . 1 . . . . 394 CYS C . 25445 1 484 . 1 1 103 103 CYS CA C 13 56.52 0.2 . 1 . . . . 394 CYS CA . 25445 1 485 . 1 1 103 103 CYS CB C 13 27.47 0.2 . 1 . . . . 394 CYS CB . 25445 1 486 . 1 1 103 103 CYS N N 15 124.90 0.2 . 1 . . . . 394 CYS N . 25445 1 487 . 1 1 104 104 PRO CA C 13 63.52 0.2 . 1 . . . . 395 PRO CA . 25445 1 488 . 1 1 104 104 PRO CB C 13 32.11 0.2 . 1 . . . . 395 PRO CB . 25445 1 489 . 1 1 104 104 PRO N N 15 138.65 0.2 . 1 . . . . 395 PRO N . 25445 1 490 . 1 1 107 107 PRO C C 13 177.31 0.2 . 1 . . . . 398 PRO C . 25445 1 491 . 1 1 107 107 PRO CA C 13 63.10 0.2 . 1 . . . . 398 PRO CA . 25445 1 492 . 1 1 107 107 PRO CB C 13 32.08 0.2 . 1 . . . . 398 PRO CB . 25445 1 493 . 1 1 107 107 PRO N N 15 135.13 0.2 . 1 . . . . 398 PRO N . 25445 1 494 . 1 1 108 108 GLY H H 1 8.44 0.02 . 1 . . . . 399 GLY H . 25445 1 495 . 1 1 108 108 GLY C C 13 174.03 0.2 . 1 . . . . 399 GLY C . 25445 1 496 . 1 1 108 108 GLY CA C 13 45.15 0.2 . 1 . . . . 399 GLY CA . 25445 1 497 . 1 1 108 108 GLY N N 15 108.86 0.2 . 1 . . . . 399 GLY N . 25445 1 498 . 1 1 109 109 LEU H H 1 8.15 0.02 . 1 . . . . 400 LEU H . 25445 1 499 . 1 1 109 109 LEU C C 13 176.95 0.2 . 1 . . . . 400 LEU C . 25445 1 500 . 1 1 109 109 LEU CA C 13 55.20 0.2 . 1 . . . . 400 LEU CA . 25445 1 501 . 1 1 109 109 LEU CB C 13 42.47 0.2 . 1 . . . . 400 LEU CB . 25445 1 502 . 1 1 109 109 LEU N N 15 121.63 0.2 . 1 . . . . 400 LEU N . 25445 1 503 . 1 1 110 110 ASP H H 1 8.37 0.02 . 1 . . . . 401 ASP H . 25445 1 504 . 1 1 110 110 ASP C C 13 175.30 0.2 . 1 . . . . 401 ASP C . 25445 1 505 . 1 1 110 110 ASP CA C 13 54.16 0.2 . 1 . . . . 401 ASP CA . 25445 1 506 . 1 1 110 110 ASP CB C 13 41.09 0.2 . 1 . . . . 401 ASP CB . 25445 1 507 . 1 1 110 110 ASP N N 15 120.45 0.2 . 1 . . . . 401 ASP N . 25445 1 508 . 1 1 111 111 ASP H H 1 8.09 0.02 . 1 . . . . 402 ASP H . 25445 1 509 . 1 1 111 111 ASP C C 13 174.92 0.2 . 1 . . . . 402 ASP C . 25445 1 510 . 1 1 111 111 ASP CA C 13 52.05 0.2 . 1 . . . . 402 ASP CA . 25445 1 511 . 1 1 111 111 ASP CB C 13 41.42 0.2 . 1 . . . . 402 ASP CB . 25445 1 512 . 1 1 111 111 ASP N N 15 121.51 0.2 . 1 . . . . 402 ASP N . 25445 1 513 . 1 1 112 112 PRO C C 13 177.23 0.2 . 1 . . . . 403 PRO C . 25445 1 514 . 1 1 112 112 PRO CA C 13 63.76 0.2 . 1 . . . . 403 PRO CA . 25445 1 515 . 1 1 112 112 PRO CB C 13 32.21 0.2 . 1 . . . . 403 PRO CB . 25445 1 516 . 1 1 112 112 PRO N N 15 137.91 0.2 . 1 . . . . 403 PRO N . 25445 1 517 . 1 1 113 113 LEU H H 1 8.30 0.02 . 1 . . . . 404 LEU H . 25445 1 518 . 1 1 113 113 LEU C C 13 177.36 0.2 . 1 . . . . 404 LEU C . 25445 1 519 . 1 1 113 113 LEU CA C 13 55.08 0.2 . 1 . . . . 404 LEU CA . 25445 1 520 . 1 1 113 113 LEU CB C 13 41.52 0.2 . 1 . . . . 404 LEU CB . 25445 1 521 . 1 1 113 113 LEU N N 15 119.57 0.2 . 1 . . . . 404 LEU N . 25445 1 522 . 1 1 114 114 ALA H H 1 7.87 0.02 . 1 . . . . 405 ALA H . 25445 1 523 . 1 1 114 114 ALA C C 13 177.68 0.2 . 1 . . . . 405 ALA C . 25445 1 524 . 1 1 114 114 ALA CA C 13 52.63 0.2 . 1 . . . . 405 ALA CA . 25445 1 525 . 1 1 114 114 ALA CB C 13 19.18 0.2 . 1 . . . . 405 ALA CB . 25445 1 526 . 1 1 114 114 ALA N N 15 123.73 0.2 . 1 . . . . 405 ALA N . 25445 1 527 . 1 1 115 115 GLN H H 1 8.21 0.02 . 1 . . . . 406 GLN H . 25445 1 528 . 1 1 115 115 GLN C C 13 175.72 0.2 . 1 . . . . 406 GLN C . 25445 1 529 . 1 1 115 115 GLN CA C 13 55.76 0.2 . 1 . . . . 406 GLN CA . 25445 1 530 . 1 1 115 115 GLN CB C 13 29.45 0.2 . 1 . . . . 406 GLN CB . 25445 1 531 . 1 1 115 115 GLN N N 15 118.99 0.2 . 1 . . . . 406 GLN N . 25445 1 532 . 1 1 116 116 ASP H H 1 8.36 0.02 . 1 . . . . 407 ASP H . 25445 1 533 . 1 1 116 116 ASP C C 13 176.68 0.2 . 1 . . . . 407 ASP C . 25445 1 534 . 1 1 116 116 ASP CA C 13 54.58 0.2 . 1 . . . . 407 ASP CA . 25445 1 535 . 1 1 116 116 ASP CB C 13 41.20 0.2 . 1 . . . . 407 ASP CB . 25445 1 536 . 1 1 116 116 ASP N N 15 121.18 0.2 . 1 . . . . 407 ASP N . 25445 1 537 . 1 1 117 117 GLY H H 1 8.34 0.02 . 1 . . . . 408 GLY H . 25445 1 538 . 1 1 117 117 GLY C C 13 174.04 0.2 . 1 . . . . 408 GLY C . 25445 1 539 . 1 1 117 117 GLY CA C 13 45.55 0.2 . 1 . . . . 408 GLY CA . 25445 1 540 . 1 1 117 117 GLY N N 15 109.51 0.2 . 1 . . . . 408 GLY N . 25445 1 541 . 1 1 118 118 ALA H H 1 8.18 0.02 . 1 . . . . 409 ALA H . 25445 1 542 . 1 1 118 118 ALA C C 13 178.19 0.2 . 1 . . . . 409 ALA C . 25445 1 543 . 1 1 118 118 ALA CA C 13 52.68 0.2 . 1 . . . . 409 ALA CA . 25445 1 544 . 1 1 118 118 ALA CB C 13 19.29 0.2 . 1 . . . . 409 ALA CB . 25445 1 545 . 1 1 118 118 ALA N N 15 123.46 0.2 . 1 . . . . 409 ALA N . 25445 1 546 . 1 1 119 119 GLY H H 1 8.39 0.02 . 1 . . . . 410 GLY H . 25445 1 547 . 1 1 119 119 GLY C C 13 174.24 0.2 . 1 . . . . 410 GLY C . 25445 1 548 . 1 1 119 119 GLY CA C 13 45.44 0.2 . 1 . . . . 410 GLY CA . 25445 1 549 . 1 1 119 119 GLY N N 15 107.95 0.2 . 1 . . . . 410 GLY N . 25445 1 550 . 1 1 120 120 VAL H H 1 7.99 0.02 . 1 . . . . 411 VAL H . 25445 1 551 . 1 1 120 120 VAL C C 13 176.35 0.2 . 1 . . . . 411 VAL C . 25445 1 552 . 1 1 120 120 VAL CA C 13 62.27 0.2 . 1 . . . . 411 VAL CA . 25445 1 553 . 1 1 120 120 VAL CB C 13 32.65 0.2 . 1 . . . . 411 VAL CB . 25445 1 554 . 1 1 120 120 VAL N N 15 118.85 0.2 . 1 . . . . 411 VAL N . 25445 1 555 . 1 1 121 121 SER H H 1 8.48 0.02 . 1 . . . . 412 SER H . 25445 1 556 . 1 1 121 121 SER C C 13 175.04 0.2 . 1 . . . . 412 SER C . 25445 1 557 . 1 1 121 121 SER CA C 13 58.67 0.2 . 1 . . . . 412 SER CA . 25445 1 558 . 1 1 121 121 SER CB C 13 63.77 0.2 . 1 . . . . 412 SER CB . 25445 1 559 . 1 1 121 121 SER N N 15 119.12 0.2 . 1 . . . . 412 SER N . 25445 1 560 . 1 1 122 122 GLY H H 1 8.46 0.02 . 1 . . . . 413 GLY H . 25445 1 561 . 1 1 122 122 GLY C C 13 174.16 0.2 . 1 . . . . 413 GLY C . 25445 1 562 . 1 1 122 122 GLY CA C 13 45.53 0.2 . 1 . . . . 413 GLY CA . 25445 1 563 . 1 1 122 122 GLY N N 15 111.06 0.2 . 1 . . . . 413 GLY N . 25445 1 564 . 1 1 123 123 LEU H H 1 8.05 0.02 . 1 . . . . 414 LEU H . 25445 1 565 . 1 1 123 123 LEU C C 13 177.41 0.2 . 1 . . . . 414 LEU C . 25445 1 566 . 1 1 123 123 LEU CA C 13 55.30 0.2 . 1 . . . . 414 LEU CA . 25445 1 567 . 1 1 123 123 LEU CB C 13 42.37 0.2 . 1 . . . . 414 LEU CB . 25445 1 568 . 1 1 123 123 LEU N N 15 121.19 0.2 . 1 . . . . 414 LEU N . 25445 1 569 . 1 1 124 124 GLU H H 1 8.43 0.02 . 1 . . . . 415 GLU H . 25445 1 570 . 1 1 124 124 GLU C C 13 176.22 0.2 . 1 . . . . 415 GLU C . 25445 1 571 . 1 1 124 124 GLU CA C 13 56.85 0.2 . 1 . . . . 415 GLU CA . 25445 1 572 . 1 1 124 124 GLU CB C 13 29.91 0.2 . 1 . . . . 415 GLU CB . 25445 1 573 . 1 1 124 124 GLU N N 15 120.67 0.2 . 1 . . . . 415 GLU N . 25445 1 574 . 1 1 125 125 HIS H H 1 8.28 0.02 . 1 . . . . 416 HIS H . 25445 1 575 . 1 1 125 125 HIS CA C 13 55.95 0.2 . 1 . . . . 416 HIS CA . 25445 1 576 . 1 1 125 125 HIS CB C 13 29.86 0.2 . 1 . . . . 416 HIS CB . 25445 1 577 . 1 1 125 125 HIS N N 15 119.27 0.2 . 1 . . . . 416 HIS N . 25445 1 stop_ save_