data_26762 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26762 _Entry.Title ; Elk1 C-terminus aa309-429 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-20 _Entry.Accession_date 2016-03-20 _Entry.Last_release_date 2016-03-21 _Entry.Original_release_date 2016-03-21 _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 Francois Theillet . X. . . 26762 2 Philipp Selenko . . . . 26762 3 Anastasia Mylona . . . . 26762 4 Richard Treisman . . . . 26762 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26762 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 321 26762 '15N chemical shifts' 97 26762 '1H chemical shifts' 97 26762 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 . . 2017-08-24 . original BMRB . 26762 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26786 'Elk1 C-terminus aa309-429 - 8 phosphorylated sites (pS337-pT354-pT364-pT369-pS384-pS390-pT418-pS423)' 26762 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26762 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1126/science.aad1872 _Citation.PubMed_ID 27738173 _Citation.Full_citation . _Citation.Title ; Opposing effects of Elk-1 multisite phosphorylation shape its response to ERK activation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full 'Science (New York, N.Y.)' _Citation.Journal_volume 354 _Citation.Journal_issue 6309 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1095-9203 _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 233 _Citation.Page_last 237 _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 Anastasia Mylona A. . . . 26762 1 2 Francois-Xavier Theillet F. X. . . 26762 1 3 Charles Foster C. . . . 26762 1 4 Tammy Cheng T. M. . . 26762 1 5 Francesc Miralles F. . . . 26762 1 6 Paul Bates P. A. . . 26762 1 7 Philipp Selenko P. . . . 26762 1 8 Richard Treisman R. . . . 26762 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26762 _Assembly.ID 1 _Assembly.Name Elk1 _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 . _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 Elk1 1 $Elk1 A . yes native no no . . . 26762 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Elk1 _Entity.Sf_category entity _Entity.Sf_framecode Elk1 _Entity.Entry_ID 26762 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Elk1 _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 ; GTQPQKGRKPRDLELPLSPS LLGGQGPERTPGSGTSSGLQ APGPALTPSLLPTHTLTPVL LTPSSLPPSIHFWSTLSPIA PRSPAKLSFQFPSSGSAQVH IPSISVDGLSTPVVLSPGPQ KP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; Elk1 fragment 309-429. The sequence numbering corresponds to mouse Elk1 shifted (+1) according to human Elk1, to be consistent with the related paper. ; _Entity.Polymer_author_seq_details ; There is one supplementary glycine at the N-terminus (for improved TEV cleavage of the initial construct). ; _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 1 308 GLY . 26762 1 2 309 THR . 26762 1 3 310 GLN . 26762 1 4 311 PRO . 26762 1 5 312 GLN . 26762 1 6 313 LYS . 26762 1 7 314 GLY . 26762 1 8 315 ARG . 26762 1 9 316 LYS . 26762 1 10 317 PRO . 26762 1 11 318 ARG . 26762 1 12 319 ASP . 26762 1 13 320 LEU . 26762 1 14 321 GLU . 26762 1 15 322 LEU . 26762 1 16 323 PRO . 26762 1 17 324 LEU . 26762 1 18 325 SER . 26762 1 19 326 PRO . 26762 1 20 327 SER . 26762 1 21 328 LEU . 26762 1 22 329 LEU . 26762 1 23 330 GLY . 26762 1 24 331 GLY . 26762 1 25 332 GLN . 26762 1 26 333 GLY . 26762 1 27 334 PRO . 26762 1 28 335 GLU . 26762 1 29 336 ARG . 26762 1 30 337 THR . 26762 1 31 338 PRO . 26762 1 32 339 GLY . 26762 1 33 340 SER . 26762 1 34 341 GLY . 26762 1 35 342 THR . 26762 1 36 343 SER . 26762 1 37 344 SER . 26762 1 38 345 GLY . 26762 1 39 346 LEU . 26762 1 40 347 GLN . 26762 1 41 348 ALA . 26762 1 42 349 PRO . 26762 1 43 350 GLY . 26762 1 44 351 PRO . 26762 1 45 352 ALA . 26762 1 46 353 LEU . 26762 1 47 354 THR . 26762 1 48 355 PRO . 26762 1 49 356 SER . 26762 1 50 357 LEU . 26762 1 51 358 LEU . 26762 1 52 359 PRO . 26762 1 53 360 THR . 26762 1 54 361 HIS . 26762 1 55 362 THR . 26762 1 56 363 LEU . 26762 1 57 364 THR . 26762 1 58 365 PRO . 26762 1 59 366 VAL . 26762 1 60 367 LEU . 26762 1 61 368 LEU . 26762 1 62 369 THR . 26762 1 63 370 PRO . 26762 1 64 371 SER . 26762 1 65 372 SER . 26762 1 66 373 LEU . 26762 1 67 374 PRO . 26762 1 68 375 PRO . 26762 1 69 376 SER . 26762 1 70 377 ILE . 26762 1 71 378 HIS . 26762 1 72 379 PHE . 26762 1 73 380 TRP . 26762 1 74 381 SER . 26762 1 75 382 THR . 26762 1 76 383 LEU . 26762 1 77 384 SER . 26762 1 78 385 PRO . 26762 1 79 386 ILE . 26762 1 80 387 ALA . 26762 1 81 388 PRO . 26762 1 82 389 ARG . 26762 1 83 390 SER . 26762 1 84 391 PRO . 26762 1 85 392 ALA . 26762 1 86 393 LYS . 26762 1 87 394 LEU . 26762 1 88 395 SER . 26762 1 89 396 PHE . 26762 1 90 397 GLN . 26762 1 91 398 PHE . 26762 1 92 399 PRO . 26762 1 93 400 SER . 26762 1 94 401 SER . 26762 1 95 402 GLY . 26762 1 96 403 SER . 26762 1 97 404 ALA . 26762 1 98 405 GLN . 26762 1 99 406 VAL . 26762 1 100 407 HIS . 26762 1 101 408 ILE . 26762 1 102 409 PRO . 26762 1 103 410 SER . 26762 1 104 411 ILE . 26762 1 105 412 SER . 26762 1 106 413 VAL . 26762 1 107 414 ASP . 26762 1 108 415 GLY . 26762 1 109 416 LEU . 26762 1 110 417 SER . 26762 1 111 418 THR . 26762 1 112 419 PRO . 26762 1 113 420 VAL . 26762 1 114 421 VAL . 26762 1 115 422 LEU . 26762 1 116 423 SER . 26762 1 117 424 PRO . 26762 1 118 425 GLY . 26762 1 119 426 PRO . 26762 1 120 427 GLN . 26762 1 121 428 LYS . 26762 1 122 429 PRO . 26762 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26762 1 . THR 2 2 26762 1 . GLN 3 3 26762 1 . PRO 4 4 26762 1 . GLN 5 5 26762 1 . LYS 6 6 26762 1 . GLY 7 7 26762 1 . ARG 8 8 26762 1 . LYS 9 9 26762 1 . PRO 10 10 26762 1 . ARG 11 11 26762 1 . ASP 12 12 26762 1 . LEU 13 13 26762 1 . GLU 14 14 26762 1 . LEU 15 15 26762 1 . PRO 16 16 26762 1 . LEU 17 17 26762 1 . SER 18 18 26762 1 . PRO 19 19 26762 1 . SER 20 20 26762 1 . LEU 21 21 26762 1 . LEU 22 22 26762 1 . GLY 23 23 26762 1 . GLY 24 24 26762 1 . GLN 25 25 26762 1 . GLY 26 26 26762 1 . PRO 27 27 26762 1 . GLU 28 28 26762 1 . ARG 29 29 26762 1 . THR 30 30 26762 1 . PRO 31 31 26762 1 . GLY 32 32 26762 1 . SER 33 33 26762 1 . GLY 34 34 26762 1 . THR 35 35 26762 1 . SER 36 36 26762 1 . SER 37 37 26762 1 . GLY 38 38 26762 1 . LEU 39 39 26762 1 . GLN 40 40 26762 1 . ALA 41 41 26762 1 . PRO 42 42 26762 1 . GLY 43 43 26762 1 . PRO 44 44 26762 1 . ALA 45 45 26762 1 . LEU 46 46 26762 1 . THR 47 47 26762 1 . PRO 48 48 26762 1 . SER 49 49 26762 1 . LEU 50 50 26762 1 . LEU 51 51 26762 1 . PRO 52 52 26762 1 . THR 53 53 26762 1 . HIS 54 54 26762 1 . THR 55 55 26762 1 . LEU 56 56 26762 1 . THR 57 57 26762 1 . PRO 58 58 26762 1 . VAL 59 59 26762 1 . LEU 60 60 26762 1 . LEU 61 61 26762 1 . THR 62 62 26762 1 . PRO 63 63 26762 1 . SER 64 64 26762 1 . SER 65 65 26762 1 . LEU 66 66 26762 1 . PRO 67 67 26762 1 . PRO 68 68 26762 1 . SER 69 69 26762 1 . ILE 70 70 26762 1 . HIS 71 71 26762 1 . PHE 72 72 26762 1 . TRP 73 73 26762 1 . SER 74 74 26762 1 . THR 75 75 26762 1 . LEU 76 76 26762 1 . SER 77 77 26762 1 . PRO 78 78 26762 1 . ILE 79 79 26762 1 . ALA 80 80 26762 1 . PRO 81 81 26762 1 . ARG 82 82 26762 1 . SER 83 83 26762 1 . PRO 84 84 26762 1 . ALA 85 85 26762 1 . LYS 86 86 26762 1 . LEU 87 87 26762 1 . SER 88 88 26762 1 . PHE 89 89 26762 1 . GLN 90 90 26762 1 . PHE 91 91 26762 1 . PRO 92 92 26762 1 . SER 93 93 26762 1 . SER 94 94 26762 1 . GLY 95 95 26762 1 . SER 96 96 26762 1 . ALA 97 97 26762 1 . GLN 98 98 26762 1 . VAL 99 99 26762 1 . HIS 100 100 26762 1 . ILE 101 101 26762 1 . PRO 102 102 26762 1 . SER 103 103 26762 1 . ILE 104 104 26762 1 . SER 105 105 26762 1 . VAL 106 106 26762 1 . ASP 107 107 26762 1 . GLY 108 108 26762 1 . LEU 109 109 26762 1 . SER 110 110 26762 1 . THR 111 111 26762 1 . PRO 112 112 26762 1 . VAL 113 113 26762 1 . VAL 114 114 26762 1 . LEU 115 115 26762 1 . SER 116 116 26762 1 . PRO 117 117 26762 1 . GLY 118 118 26762 1 . PRO 119 119 26762 1 . GLN 120 120 26762 1 . LYS 121 121 26762 1 . PRO 122 122 26762 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 26762 _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 $Elk1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . 'Sequence numbering is shifted (+1) according to human Elk1, to be consistent with the related paper.' 26762 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 26762 _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 $Elk1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-29 . . . 26762 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26762 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'phosphate: 10 mM (at pH6.9: (HPO4)2- ~2.5mM and (PO4)3- ~ 7.5 mM )' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 Elk1 '[U-99% 13C; U-99% 15N]' . . 1 $Elk1 . . 400 . . uM . . . . 26762 1 2 'Na phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26762 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 26762 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 26762 _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' 50 . mM 26762 1 pH 6.9 . pH 26762 1 pressure 1 . atm 26762 1 temperature 277 . K 26762 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26762 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26762 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26762 1 processing 26762 1 stop_ save_ save_CcpNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNMR_Analysis _Software.Entry_ID 26762 _Software.ID 2 _Software.Name CcpNMR_Analysis _Software.Version 2.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26762 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26762 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 26762 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 26762 _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 Bruker Avance . 750 . . . 26762 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 26762 _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 . . . . . . . . . . . . . . . . 26762 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26762 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26762 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 26762 _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 0.00 na indirect 0.251449530 . . . . . 26762 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26762 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26762 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 26762 _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 0.003 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _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 '13C chemical shift error: CACB:0.2; C:0.03' _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' . . . 26762 1 2 '3D HNCO' . . . 26762 1 3 '3D HNCACB' . . . 26762 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CcpNMR_Analysis . . 26762 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 THR C C 13 174.655 0.03 . 1 . . . . 309 THR C . 26762 1 2 . 1 1 2 2 THR CA C 13 61.885 0.2 . 1 . . . . 309 THR CA . 26762 1 3 . 1 1 2 2 THR CB C 13 69.885 0.2 . 1 . . . . 309 THR CB . 26762 1 4 . 1 1 3 3 GLN H H 1 8.745 0.003 . 1 . . . . 310 GLN H . 26762 1 5 . 1 1 3 3 GLN CA C 13 53.775 0.2 . 1 . . . . 310 GLN CA . 26762 1 6 . 1 1 3 3 GLN CB C 13 28.775 0.2 . 1 . . . . 310 GLN CB . 26762 1 7 . 1 1 3 3 GLN N N 15 124.655 0.03 . 1 . . . . 310 GLN N . 26762 1 8 . 1 1 4 4 PRO C C 13 176.845 0.03 . 1 . . . . 311 PRO C . 26762 1 9 . 1 1 4 4 PRO CA C 13 63.025 0.2 . 1 . . . . 311 PRO CA . 26762 1 10 . 1 1 4 4 PRO CB C 13 32.005 0.2 . 1 . . . . 311 PRO CB . 26762 1 11 . 1 1 5 5 GLN H H 1 8.715 0.003 . 1 . . . . 312 GLN H . 26762 1 12 . 1 1 5 5 GLN C C 13 176.165 0.03 . 1 . . . . 312 GLN C . 26762 1 13 . 1 1 5 5 GLN CA C 13 55.615 0.2 . 1 . . . . 312 GLN CA . 26762 1 14 . 1 1 5 5 GLN CB C 13 29.565 0.2 . 1 . . . . 312 GLN CB . 26762 1 15 . 1 1 5 5 GLN N N 15 121.535 0.03 . 1 . . . . 312 GLN N . 26762 1 16 . 1 1 6 6 LYS H H 1 8.615 0.003 . 1 . . . . 313 LYS H . 26762 1 17 . 1 1 6 6 LYS C C 13 177.135 0.03 . 1 . . . . 313 LYS C . 26762 1 18 . 1 1 6 6 LYS CA C 13 56.615 0.2 . 1 . . . . 313 LYS CA . 26762 1 19 . 1 1 6 6 LYS CB C 13 32.915 0.2 . 1 . . . . 313 LYS CB . 26762 1 20 . 1 1 6 6 LYS N N 15 123.695 0.03 . 1 . . . . 313 LYS N . 26762 1 21 . 1 1 7 7 GLY H H 1 8.645 0.003 . 1 . . . . 314 GLY H . 26762 1 22 . 1 1 7 7 GLY C C 13 173.845 0.03 . 1 . . . . 314 GLY C . 26762 1 23 . 1 1 7 7 GLY CA C 13 45.075 0.2 . 1 . . . . 314 GLY CA . 26762 1 24 . 1 1 7 7 GLY N N 15 110.835 0.03 . 1 . . . . 314 GLY N . 26762 1 25 . 1 1 8 8 ARG H H 1 8.315 0.003 . 1 . . . . 315 ARG H . 26762 1 26 . 1 1 8 8 ARG C C 13 176.315 0.03 . 1 . . . . 315 ARG C . 26762 1 27 . 1 1 8 8 ARG CA C 13 55.715 0.2 . 1 . . . . 315 ARG CA . 26762 1 28 . 1 1 8 8 ARG CB C 13 30.865 0.2 . 1 . . . . 315 ARG CB . 26762 1 29 . 1 1 8 8 ARG N N 15 120.835 0.03 . 1 . . . . 315 ARG N . 26762 1 30 . 1 1 9 9 LYS H H 1 8.685 0.003 . 1 . . . . 316 LYS H . 26762 1 31 . 1 1 9 9 LYS CA C 13 54.315 0.2 . 1 . . . . 316 LYS CA . 26762 1 32 . 1 1 9 9 LYS CB C 13 32.315 0.2 . 1 . . . . 316 LYS CB . 26762 1 33 . 1 1 9 9 LYS N N 15 125.285 0.03 . 1 . . . . 316 LYS N . 26762 1 34 . 1 1 10 10 PRO C C 13 177.035 0.03 . 1 . . . . 317 PRO C . 26762 1 35 . 1 1 10 10 PRO CA C 13 63.375 0.2 . 1 . . . . 317 PRO CA . 26762 1 36 . 1 1 10 10 PRO CB C 13 32.125 0.2 . 1 . . . . 317 PRO CB . 26762 1 37 . 1 1 11 11 ARG H H 1 8.565 0.003 . 1 . . . . 318 ARG H . 26762 1 38 . 1 1 11 11 ARG C C 13 176.315 0.03 . 1 . . . . 318 ARG C . 26762 1 39 . 1 1 11 11 ARG CA C 13 56.255 0.2 . 1 . . . . 318 ARG CA . 26762 1 40 . 1 1 11 11 ARG CB C 13 30.615 0.2 . 1 . . . . 318 ARG CB . 26762 1 41 . 1 1 11 11 ARG N N 15 120.965 0.03 . 1 . . . . 318 ARG N . 26762 1 42 . 1 1 12 12 ASP H H 1 8.425 0.003 . 1 . . . . 319 ASP H . 26762 1 43 . 1 1 12 12 ASP C C 13 176.335 0.03 . 1 . . . . 319 ASP C . 26762 1 44 . 1 1 12 12 ASP CA C 13 54.715 0.2 . 1 . . . . 319 ASP CA . 26762 1 45 . 1 1 12 12 ASP CB C 13 41.015 0.2 . 1 . . . . 319 ASP CB . 26762 1 46 . 1 1 12 12 ASP N N 15 121.655 0.03 . 1 . . . . 319 ASP N . 26762 1 47 . 1 1 13 13 LEU H H 1 8.305 0.003 . 1 . . . . 320 LEU H . 26762 1 48 . 1 1 13 13 LEU C C 13 177.315 0.03 . 1 . . . . 320 LEU C . 26762 1 49 . 1 1 13 13 LEU CA C 13 55.145 0.2 . 1 . . . . 320 LEU CA . 26762 1 50 . 1 1 13 13 LEU CB C 13 42.245 0.2 . 1 . . . . 320 LEU CB . 26762 1 51 . 1 1 13 13 LEU N N 15 122.105 0.03 . 1 . . . . 320 LEU N . 26762 1 52 . 1 1 14 14 GLU H H 1 8.385 0.003 . 1 . . . . 321 GLU H . 26762 1 53 . 1 1 14 14 GLU C C 13 176.165 0.03 . 1 . . . . 321 GLU C . 26762 1 54 . 1 1 14 14 GLU CA C 13 56.115 0.2 . 1 . . . . 321 GLU CA . 26762 1 55 . 1 1 14 14 GLU CB C 13 30.315 0.2 . 1 . . . . 321 GLU CB . 26762 1 56 . 1 1 14 14 GLU N N 15 121.625 0.03 . 1 . . . . 321 GLU N . 26762 1 57 . 1 1 15 15 LEU H H 1 8.335 0.003 . 1 . . . . 322 LEU H . 26762 1 58 . 1 1 15 15 LEU CA C 13 52.865 0.2 . 1 . . . . 322 LEU CA . 26762 1 59 . 1 1 15 15 LEU CB C 13 41.515 0.2 . 1 . . . . 322 LEU CB . 26762 1 60 . 1 1 15 15 LEU N N 15 124.995 0.03 . 1 . . . . 322 LEU N . 26762 1 61 . 1 1 16 16 PRO C C 13 176.845 0.03 . 1 . . . . 323 PRO C . 26762 1 62 . 1 1 16 16 PRO CA C 13 62.775 0.2 . 1 . . . . 323 PRO CA . 26762 1 63 . 1 1 17 17 LEU H H 1 8.515 0.003 . 1 . . . . 324 LEU H . 26762 1 64 . 1 1 17 17 LEU C C 13 177.435 0.03 . 1 . . . . 324 LEU C . 26762 1 65 . 1 1 17 17 LEU CA C 13 54.465 0.2 . 1 . . . . 324 LEU CA . 26762 1 66 . 1 1 17 17 LEU CB C 13 42.315 0.2 . 1 . . . . 324 LEU CB . 26762 1 67 . 1 1 17 17 LEU N N 15 122.735 0.03 . 1 . . . . 324 LEU N . 26762 1 68 . 1 1 18 18 SER H H 1 8.445 0.003 . 1 . . . . 325 SER H . 26762 1 69 . 1 1 18 18 SER CA C 13 56.215 0.2 . 1 . . . . 325 SER CA . 26762 1 70 . 1 1 18 18 SER CB C 13 63.515 0.2 . 1 . . . . 325 SER CB . 26762 1 71 . 1 1 18 18 SER N N 15 118.365 0.03 . 1 . . . . 325 SER N . 26762 1 72 . 1 1 19 19 PRO C C 13 177.195 0.03 . 1 . . . . 326 PRO C . 26762 1 73 . 1 1 19 19 PRO CB C 13 32.155 0.2 . 1 . . . . 326 PRO CB . 26762 1 74 . 1 1 20 20 SER H H 1 8.465 0.003 . 1 . . . . 327 SER H . 26762 1 75 . 1 1 20 20 SER C C 13 174.975 0.03 . 1 . . . . 327 SER C . 26762 1 76 . 1 1 20 20 SER CA C 13 58.515 0.2 . 1 . . . . 327 SER CA . 26762 1 77 . 1 1 20 20 SER CB C 13 63.615 0.2 . 1 . . . . 327 SER CB . 26762 1 78 . 1 1 20 20 SER N N 15 115.735 0.03 . 1 . . . . 327 SER N . 26762 1 79 . 1 1 21 21 LEU H H 1 8.415 0.003 . 1 . . . . 328 LEU H . 26762 1 80 . 1 1 21 21 LEU C C 13 177.685 0.03 . 1 . . . . 328 LEU C . 26762 1 81 . 1 1 21 21 LEU CA C 13 55.265 0.2 . 1 . . . . 328 LEU CA . 26762 1 82 . 1 1 21 21 LEU CB C 13 42.315 0.2 . 1 . . . . 328 LEU CB . 26762 1 83 . 1 1 21 21 LEU N N 15 124.635 0.03 . 1 . . . . 328 LEU N . 26762 1 84 . 1 1 22 22 LEU H H 1 8.265 0.003 . 1 . . . . 329 LEU H . 26762 1 85 . 1 1 22 22 LEU C C 13 178.075 0.03 . 1 . . . . 329 LEU C . 26762 1 86 . 1 1 22 22 LEU CA C 13 55.205 0.2 . 1 . . . . 329 LEU CA . 26762 1 87 . 1 1 22 22 LEU CB C 13 42.065 0.2 . 1 . . . . 329 LEU CB . 26762 1 88 . 1 1 22 22 LEU N N 15 122.295 0.03 . 1 . . . . 329 LEU N . 26762 1 89 . 1 1 23 23 GLY H H 1 8.485 0.003 . 1 . . . . 330 GLY H . 26762 1 90 . 1 1 23 23 GLY C C 13 174.895 0.03 . 1 . . . . 330 GLY C . 26762 1 91 . 1 1 23 23 GLY CA C 13 45.215 0.2 . 1 . . . . 330 GLY CA . 26762 1 92 . 1 1 23 23 GLY N N 15 109.645 0.03 . 1 . . . . 330 GLY N . 26762 1 93 . 1 1 24 24 GLY H H 1 8.385 0.003 . 1 . . . . 331 GLY H . 26762 1 94 . 1 1 24 24 GLY C C 13 174.245 0.03 . 1 . . . . 331 GLY C . 26762 1 95 . 1 1 24 24 GLY CA C 13 45.275 0.2 . 1 . . . . 331 GLY CA . 26762 1 96 . 1 1 24 24 GLY N N 15 108.795 0.03 . 1 . . . . 331 GLY N . 26762 1 97 . 1 1 25 25 GLN H H 1 8.445 0.003 . 1 . . . . 332 GLN H . 26762 1 98 . 1 1 25 25 GLN C C 13 176.275 0.03 . 1 . . . . 332 GLN C . 26762 1 99 . 1 1 25 25 GLN CA C 13 55.615 0.2 . 1 . . . . 332 GLN CA . 26762 1 100 . 1 1 25 25 GLN CB C 13 29.815 0.2 . 1 . . . . 332 GLN CB . 26762 1 101 . 1 1 25 25 GLN N N 15 119.595 0.03 . 1 . . . . 332 GLN N . 26762 1 102 . 1 1 26 26 GLY H H 1 8.515 0.003 . 1 . . . . 333 GLY H . 26762 1 103 . 1 1 26 26 GLY CA C 13 44.615 0.2 . 1 . . . . 333 GLY CA . 26762 1 104 . 1 1 26 26 GLY N N 15 110.605 0.03 . 1 . . . . 333 GLY N . 26762 1 105 . 1 1 27 27 PRO C C 13 177.165 0.03 . 1 . . . . 334 PRO C . 26762 1 106 . 1 1 27 27 PRO CA C 13 63.125 0.2 . 1 . . . . 334 PRO CA . 26762 1 107 . 1 1 27 27 PRO CB C 13 32.195 0.2 . 1 . . . . 334 PRO CB . 26762 1 108 . 1 1 28 28 GLU H H 1 8.725 0.003 . 1 . . . . 335 GLU H . 26762 1 109 . 1 1 28 28 GLU CA C 13 56.615 0.2 . 1 . . . . 335 GLU CA . 26762 1 110 . 1 1 28 28 GLU CB C 13 30.045 0.2 . 1 . . . . 335 GLU CB . 26762 1 111 . 1 1 28 28 GLU N N 15 121.285 0.03 . 1 . . . . 335 GLU N . 26762 1 112 . 1 1 29 29 ARG H H 1 8.505 0.003 . 1 . . . . 336 ARG H . 26762 1 113 . 1 1 29 29 ARG C C 13 176.275 0.03 . 1 . . . . 336 ARG C . 26762 1 114 . 1 1 29 29 ARG CA C 13 55.795 0.2 . 1 . . . . 336 ARG CA . 26762 1 115 . 1 1 29 29 ARG CB C 13 30.865 0.2 . 1 . . . . 336 ARG CB . 26762 1 116 . 1 1 29 29 ARG N N 15 122.785 0.03 . 1 . . . . 336 ARG N . 26762 1 117 . 1 1 30 30 THR H H 1 8.435 0.003 . 1 . . . . 337 THR H . 26762 1 118 . 1 1 30 30 THR CA C 13 59.955 0.2 . 1 . . . . 337 THR CA . 26762 1 119 . 1 1 30 30 THR CB C 13 69.665 0.2 . 1 . . . . 337 THR CB . 26762 1 120 . 1 1 30 30 THR N N 15 118.475 0.03 . 1 . . . . 337 THR N . 26762 1 121 . 1 1 31 31 PRO C C 13 177.645 0.03 . 1 . . . . 338 PRO C . 26762 1 122 . 1 1 31 31 PRO CA C 13 63.665 0.2 . 1 . . . . 338 PRO CA . 26762 1 123 . 1 1 31 31 PRO CB C 13 32.115 0.2 . 1 . . . . 338 PRO CB . 26762 1 124 . 1 1 32 32 GLY H H 1 8.705 0.003 . 1 . . . . 339 GLY H . 26762 1 125 . 1 1 32 32 GLY C C 13 174.455 0.03 . 1 . . . . 339 GLY C . 26762 1 126 . 1 1 32 32 GLY CA C 13 45.065 0.03 . 1 . . . . 339 GLY CA . 26762 1 127 . 1 1 32 32 GLY N N 15 110.325 0.03 . 1 . . . . 339 GLY N . 26762 1 128 . 1 1 33 33 SER H H 1 8.345 0.003 . 1 . . . . 340 SER H . 26762 1 129 . 1 1 33 33 SER C C 13 175.335 0.03 . 1 . . . . 340 SER C . 26762 1 130 . 1 1 33 33 SER CA C 13 58.515 0.2 . 1 . . . . 340 SER CA . 26762 1 131 . 1 1 33 33 SER CB C 13 63.915 0.2 . 1 . . . . 340 SER CB . 26762 1 132 . 1 1 33 33 SER N N 15 115.775 0.03 . 1 . . . . 340 SER N . 26762 1 133 . 1 1 34 34 GLY H H 1 8.705 0.003 . 1 . . . . 341 GLY H . 26762 1 134 . 1 1 34 34 GLY C C 13 174.545 0.03 . 1 . . . . 341 GLY C . 26762 1 135 . 1 1 34 34 GLY CA C 13 45.395 0.2 . 1 . . . . 341 GLY CA . 26762 1 136 . 1 1 34 34 GLY N N 15 111.295 0.03 . 1 . . . . 341 GLY N . 26762 1 137 . 1 1 35 35 THR H H 1 8.255 0.003 . 1 . . . . 342 THR H . 26762 1 138 . 1 1 35 35 THR C C 13 175.005 0.03 . 1 . . . . 342 THR C . 26762 1 139 . 1 1 35 35 THR CA C 13 61.715 0.2 . 1 . . . . 342 THR CA . 26762 1 140 . 1 1 35 35 THR CB C 13 69.915 0.2 . 1 . . . . 342 THR CB . 26762 1 141 . 1 1 35 35 THR N N 15 113.625 0.03 . 1 . . . . 342 THR N . 26762 1 142 . 1 1 36 36 SER H H 1 8.575 0.003 . 1 . . . . 343 SER H . 26762 1 143 . 1 1 36 36 SER C C 13 174.825 0.03 . 1 . . . . 343 SER C . 26762 1 144 . 1 1 36 36 SER CA C 13 58.415 0.2 . 1 . . . . 343 SER CA . 26762 1 145 . 1 1 36 36 SER CB C 13 63.785 0.2 . 1 . . . . 343 SER CB . 26762 1 146 . 1 1 36 36 SER N N 15 118.445 0.03 . 1 . . . . 343 SER N . 26762 1 147 . 1 1 37 37 SER H H 1 8.535 0.003 . 1 . . . . 344 SER H . 26762 1 148 . 1 1 37 37 SER C C 13 175.085 0.03 . 1 . . . . 344 SER C . 26762 1 149 . 1 1 37 37 SER CA C 13 58.515 0.2 . 1 . . . . 344 SER CA . 26762 1 150 . 1 1 37 37 SER CB C 13 63.715 0.2 . 1 . . . . 344 SER CB . 26762 1 151 . 1 1 37 37 SER N N 15 118.155 0.03 . 1 . . . . 344 SER N . 26762 1 152 . 1 1 38 38 GLY H H 1 8.485 0.003 . 1 . . . . 345 GLY H . 26762 1 153 . 1 1 38 38 GLY C C 13 174.055 0.03 . 1 . . . . 345 GLY C . 26762 1 154 . 1 1 38 38 GLY CA C 13 45.215 0.2 . 1 . . . . 345 GLY CA . 26762 1 155 . 1 1 38 38 GLY N N 15 110.845 0.03 . 1 . . . . 345 GLY N . 26762 1 156 . 1 1 39 39 LEU H H 1 8.185 0.003 . 1 . . . . 346 LEU H . 26762 1 157 . 1 1 39 39 LEU C C 13 177.445 0.03 . 1 . . . . 346 LEU C . 26762 1 158 . 1 1 39 39 LEU CA C 13 55.065 0.2 . 1 . . . . 346 LEU CA . 26762 1 159 . 1 1 39 39 LEU CB C 13 42.315 0.2 . 1 . . . . 346 LEU CB . 26762 1 160 . 1 1 39 39 LEU N N 15 121.715 0.03 . 1 . . . . 346 LEU N . 26762 1 161 . 1 1 40 40 GLN H H 1 8.525 0.003 . 1 . . . . 347 GLN H . 26762 1 162 . 1 1 40 40 GLN C C 13 175.325 0.03 . 1 . . . . 347 GLN C . 26762 1 163 . 1 1 40 40 GLN CA C 13 55.145 0.2 . 1 . . . . 347 GLN CA . 26762 1 164 . 1 1 40 40 GLN CB C 13 29.715 0.2 . 1 . . . . 347 GLN CB . 26762 1 165 . 1 1 40 40 GLN N N 15 121.975 0.03 . 1 . . . . 347 GLN N . 26762 1 166 . 1 1 41 41 ALA H H 1 8.535 0.003 . 1 . . . . 348 ALA H . 26762 1 167 . 1 1 41 41 ALA CA C 13 50.465 0.2 . 1 . . . . 348 ALA CA . 26762 1 168 . 1 1 41 41 ALA CB C 13 18.015 0.2 . 1 . . . . 348 ALA CB . 26762 1 169 . 1 1 41 41 ALA N N 15 127.705 0.03 . 1 . . . . 348 ALA N . 26762 1 170 . 1 1 42 42 PRO C C 13 177.255 0.03 . 1 . . . . 349 PRO C . 26762 1 171 . 1 1 42 42 PRO CA C 13 63.165 0.2 . 1 . . . . 349 PRO CA . 26762 1 172 . 1 1 42 42 PRO CB C 13 32.355 0.2 . 1 . . . . 349 PRO CB . 26762 1 173 . 1 1 43 43 GLY H H 1 8.415 0.003 . 1 . . . . 350 GLY H . 26762 1 174 . 1 1 43 43 GLY CA C 13 44.405 0.2 . 1 . . . . 350 GLY CA . 26762 1 175 . 1 1 43 43 GLY N N 15 109.475 0.03 . 1 . . . . 350 GLY N . 26762 1 176 . 1 1 44 44 PRO C C 13 176.715 0.03 . 1 . . . . 351 PRO C . 26762 1 177 . 1 1 44 44 PRO CA C 13 62.905 0.2 . 1 . . . . 351 PRO CA . 26762 1 178 . 1 1 44 44 PRO CB C 13 32.205 0.2 . 1 . . . . 351 PRO CB . 26762 1 179 . 1 1 45 45 ALA H H 1 8.525 0.003 . 1 . . . . 352 ALA H . 26762 1 180 . 1 1 45 45 ALA C C 13 177.815 0.03 . 1 . . . . 352 ALA C . 26762 1 181 . 1 1 45 45 ALA CA C 13 52.265 0.2 . 1 . . . . 352 ALA CA . 26762 1 182 . 1 1 45 45 ALA CB C 13 19.115 0.2 . 1 . . . . 352 ALA CB . 26762 1 183 . 1 1 45 45 ALA N N 15 124.415 0.03 . 1 . . . . 352 ALA N . 26762 1 184 . 1 1 46 46 LEU H H 1 8.445 0.003 . 1 . . . . 353 LEU H . 26762 1 185 . 1 1 46 46 LEU C C 13 177.415 0.03 . 1 . . . . 353 LEU C . 26762 1 186 . 1 1 46 46 LEU CA C 13 54.865 0.2 . 1 . . . . 353 LEU CA . 26762 1 187 . 1 1 46 46 LEU CB C 13 42.405 0.2 . 1 . . . . 353 LEU CB . 26762 1 188 . 1 1 46 46 LEU N N 15 122.255 0.03 . 1 . . . . 353 LEU N . 26762 1 189 . 1 1 47 47 THR H H 1 8.325 0.003 . 1 . . . . 354 THR H . 26762 1 190 . 1 1 47 47 THR CA C 13 59.715 0.2 . 1 . . . . 354 THR CA . 26762 1 191 . 1 1 47 47 THR CB C 13 69.715 0.2 . 1 . . . . 354 THR CB . 26762 1 192 . 1 1 47 47 THR N N 15 118.065 0.03 . 1 . . . . 354 THR N . 26762 1 193 . 1 1 48 48 PRO C C 13 176.905 0.03 . 1 . . . . 355 PRO C . 26762 1 194 . 1 1 48 48 PRO CA C 13 63.075 0.2 . 1 . . . . 355 PRO CA . 26762 1 195 . 1 1 48 48 PRO CB C 13 32.225 0.2 . 1 . . . . 355 PRO CB . 26762 1 196 . 1 1 49 49 SER H H 1 8.535 0.003 . 1 . . . . 356 SER H . 26762 1 197 . 1 1 49 49 SER C C 13 174.525 0.03 . 1 . . . . 356 SER C . 26762 1 198 . 1 1 49 49 SER CA C 13 58.305 0.2 . 1 . . . . 356 SER CA . 26762 1 199 . 1 1 49 49 SER CB C 13 63.725 0.2 . 1 . . . . 356 SER CB . 26762 1 200 . 1 1 49 49 SER N N 15 116.445 0.03 . 1 . . . . 356 SER N . 26762 1 201 . 1 1 50 50 LEU H H 1 8.465 0.003 . 1 . . . . 357 LEU H . 26762 1 202 . 1 1 50 50 LEU C C 13 177.155 0.03 . 1 . . . . 357 LEU C . 26762 1 203 . 1 1 50 50 LEU CA C 13 54.895 0.2 . 1 . . . . 357 LEU CA . 26762 1 204 . 1 1 50 50 LEU CB C 13 42.305 0.2 . 1 . . . . 357 LEU CB . 26762 1 205 . 1 1 50 50 LEU N N 15 124.735 0.03 . 1 . . . . 357 LEU N . 26762 1 206 . 1 1 51 51 LEU H H 1 8.305 0.003 . 1 . . . . 358 LEU H . 26762 1 207 . 1 1 51 51 LEU CA C 13 52.965 0.2 . 1 . . . . 358 LEU CA . 26762 1 208 . 1 1 51 51 LEU CB C 13 41.525 0.2 . 1 . . . . 358 LEU CB . 26762 1 209 . 1 1 51 51 LEU N N 15 124.545 0.03 . 1 . . . . 358 LEU N . 26762 1 210 . 1 1 52 52 PRO C C 13 177.155 0.03 . 1 . . . . 359 PRO C . 26762 1 211 . 1 1 52 52 PRO CA C 13 63.065 0.2 . 1 . . . . 359 PRO CA . 26762 1 212 . 1 1 52 52 PRO CB C 13 32.125 0.2 . 1 . . . . 359 PRO CB . 26762 1 213 . 1 1 53 53 THR H H 1 8.345 0.003 . 1 . . . . 360 THR H . 26762 1 214 . 1 1 53 53 THR C C 13 174.465 0.03 . 1 . . . . 360 THR C . 26762 1 215 . 1 1 53 53 THR CA C 13 61.915 0.2 . 1 . . . . 360 THR CA . 26762 1 216 . 1 1 53 53 THR CB C 13 69.855 0.2 . 1 . . . . 360 THR CB . 26762 1 217 . 1 1 53 53 THR N N 15 114.355 0.03 . 1 . . . . 360 THR N . 26762 1 218 . 1 1 54 54 HIS H H 1 8.410 0.003 . 1 . . . . 361 HIS H . 26762 1 219 . 1 1 54 54 HIS C C 13 175.055 0.03 . 1 . . . . 361 HIS C . 26762 1 220 . 1 1 54 54 HIS CA C 13 55.975 0.2 . 1 . . . . 361 HIS CA . 26762 1 221 . 1 1 54 54 HIS CB C 13 30.585 0.2 . 1 . . . . 361 HIS CB . 26762 1 222 . 1 1 54 54 HIS N N 15 121.665 0.03 . 1 . . . . 361 HIS N . 26762 1 223 . 1 1 55 55 THR H H 1 8.275 0.003 . 1 . . . . 362 THR H . 26762 1 224 . 1 1 55 55 THR C C 13 174.145 0.03 . 1 . . . . 362 THR C . 26762 1 225 . 1 1 55 55 THR CA C 13 61.935 0.2 . 1 . . . . 362 THR CA . 26762 1 226 . 1 1 55 55 THR CB C 13 69.875 0.2 . 1 . . . . 362 THR CB . 26762 1 227 . 1 1 55 55 THR N N 15 116.905 0.03 . 1 . . . . 362 THR N . 26762 1 228 . 1 1 56 56 LEU H H 1 8.555 0.003 . 1 . . . . 363 LEU H . 26762 1 229 . 1 1 56 56 LEU C C 13 177.245 0.03 . 1 . . . . 363 LEU C . 26762 1 230 . 1 1 56 56 LEU CA C 13 55.055 0.2 . 1 . . . . 363 LEU CA . 26762 1 231 . 1 1 56 56 LEU CB C 13 42.365 0.2 . 1 . . . . 363 LEU CB . 26762 1 232 . 1 1 56 56 LEU N N 15 125.555 0.03 . 1 . . . . 363 LEU N . 26762 1 233 . 1 1 57 57 THR H H 1 8.365 0.003 . 1 . . . . 364 THR H . 26762 1 234 . 1 1 57 57 THR CA C 13 59.875 0.2 . 1 . . . . 364 THR CA . 26762 1 235 . 1 1 57 57 THR CB C 13 69.685 0.2 . 1 . . . . 364 THR CB . 26762 1 236 . 1 1 57 57 THR N N 15 118.925 0.03 . 1 . . . . 364 THR N . 26762 1 237 . 1 1 58 58 PRO C C 13 176.655 0.03 . 1 . . . . 365 PRO C . 26762 1 238 . 1 1 58 58 PRO CA C 13 63.195 0.2 . 1 . . . . 365 PRO CA . 26762 1 239 . 1 1 58 58 PRO CB C 13 32.225 0.2 . 1 . . . . 365 PRO CB . 26762 1 240 . 1 1 59 59 VAL H H 1 8.415 0.003 . 1 . . . . 366 VAL H . 26762 1 241 . 1 1 59 59 VAL C C 13 176.065 0.03 . 1 . . . . 366 VAL C . 26762 1 242 . 1 1 59 59 VAL CA C 13 62.475 0.2 . 1 . . . . 366 VAL CA . 26762 1 243 . 1 1 59 59 VAL CB C 13 32.705 0.2 . 1 . . . . 366 VAL CB . 26762 1 244 . 1 1 59 59 VAL N N 15 121.945 0.03 . 1 . . . . 366 VAL N . 26762 1 245 . 1 1 60 60 LEU H H 1 8.495 0.003 . 1 . . . . 367 LEU H . 26762 1 246 . 1 1 60 60 LEU C C 13 176.895 0.03 . 1 . . . . 367 LEU C . 26762 1 247 . 1 1 60 60 LEU CA C 13 54.725 0.2 . 1 . . . . 367 LEU CA . 26762 1 248 . 1 1 60 60 LEU CB C 13 42.415 0.2 . 1 . . . . 367 LEU CB . 26762 1 249 . 1 1 60 60 LEU N N 15 127.485 0.03 . 1 . . . . 367 LEU N . 26762 1 250 . 1 1 61 61 LEU H H 1 8.485 0.003 . 1 . . . . 368 LEU H . 26762 1 251 . 1 1 61 61 LEU C C 13 177.115 0.03 . 1 . . . . 368 LEU C . 26762 1 252 . 1 1 61 61 LEU CA C 13 54.815 0.2 . 1 . . . . 368 LEU CA . 26762 1 253 . 1 1 61 61 LEU CB C 13 42.415 0.2 . 1 . . . . 368 LEU CB . 26762 1 254 . 1 1 61 61 LEU N N 15 124.585 0.03 . 1 . . . . 368 LEU N . 26762 1 255 . 1 1 62 62 THR H H 1 8.325 0.003 . 1 . . . . 369 THR H . 26762 1 256 . 1 1 62 62 THR CA C 13 59.815 0.2 . 1 . . . . 369 THR CA . 26762 1 257 . 1 1 62 62 THR CB C 13 69.815 0.2 . 1 . . . . 369 THR CB . 26762 1 258 . 1 1 62 62 THR N N 15 118.115 0.03 . 1 . . . . 369 THR N . 26762 1 259 . 1 1 63 63 PRO C C 13 177.055 0.03 . 1 . . . . 370 PRO C . 26762 1 260 . 1 1 63 63 PRO CA C 13 63.185 0.2 . 1 . . . . 370 PRO CA . 26762 1 261 . 1 1 63 63 PRO CB C 13 32.245 0.2 . 1 . . . . 370 PRO CB . 26762 1 262 . 1 1 64 64 SER H H 1 8.565 0.003 . 1 . . . . 371 SER H . 26762 1 263 . 1 1 64 64 SER C C 13 174.655 0.03 . 1 . . . . 371 SER C . 26762 1 264 . 1 1 64 64 SER CA C 13 58.425 0.2 . 1 . . . . 371 SER CA . 26762 1 265 . 1 1 64 64 SER CB C 13 63.875 0.2 . 1 . . . . 371 SER CB . 26762 1 266 . 1 1 64 64 SER N N 15 116.105 0.03 . 1 . . . . 371 SER N . 26762 1 267 . 1 1 65 65 SER H H 1 8.435 0.003 . 1 . . . . 372 SER H . 26762 1 268 . 1 1 65 65 SER C C 13 173.975 0.03 . 1 . . . . 372 SER C . 26762 1 269 . 1 1 65 65 SER CA C 13 58.165 0.2 . 1 . . . . 372 SER CA . 26762 1 270 . 1 1 65 65 SER CB C 13 63.915 0.2 . 1 . . . . 372 SER CB . 26762 1 271 . 1 1 65 65 SER N N 15 118.325 0.03 . 1 . . . . 372 SER N . 26762 1 272 . 1 1 66 66 LEU H H 1 8.335 0.003 . 1 . . . . 373 LEU H . 26762 1 273 . 1 1 66 66 LEU CA C 13 53.035 0.2 . 1 . . . . 373 LEU CA . 26762 1 274 . 1 1 66 66 LEU CB C 13 41.615 0.2 . 1 . . . . 373 LEU CB . 26762 1 275 . 1 1 66 66 LEU N N 15 125.265 0.03 . 1 . . . . 373 LEU N . 26762 1 276 . 1 1 68 68 PRO C C 13 176.895 0.03 . 1 . . . . 375 PRO C . 26762 1 277 . 1 1 68 68 PRO CA C 13 62.995 0.2 . 1 . . . . 375 PRO CA . 26762 1 278 . 1 1 68 68 PRO CB C 13 32.045 0.2 . 1 . . . . 375 PRO CB . 26762 1 279 . 1 1 69 69 SER H H 1 8.465 0.003 . 1 . . . . 376 SER H . 26762 1 280 . 1 1 69 69 SER C C 13 174.685 0.03 . 1 . . . . 376 SER C . 26762 1 281 . 1 1 69 69 SER CA C 13 58.145 0.2 . 1 . . . . 376 SER CA . 26762 1 282 . 1 1 69 69 SER CB C 13 63.775 0.2 . 1 . . . . 376 SER CB . 26762 1 283 . 1 1 69 69 SER N N 15 116.195 0.03 . 1 . . . . 376 SER N . 26762 1 284 . 1 1 70 70 ILE H H 1 8.205 0.003 . 1 . . . . 377 ILE H . 26762 1 285 . 1 1 70 70 ILE C C 13 175.865 0.03 . 1 . . . . 377 ILE C . 26762 1 286 . 1 1 70 70 ILE CA C 13 61.315 0.2 . 1 . . . . 377 ILE CA . 26762 1 287 . 1 1 70 70 ILE CB C 13 38.595 0.2 . 1 . . . . 377 ILE CB . 26762 1 288 . 1 1 70 70 ILE N N 15 122.315 0.03 . 1 . . . . 377 ILE N . 26762 1 289 . 1 1 71 71 HIS H H 1 8.315 0.003 . 1 . . . . 378 HIS H . 26762 1 290 . 1 1 71 71 HIS C C 13 174.865 0.03 . 1 . . . . 378 HIS C . 26762 1 291 . 1 1 71 71 HIS CA C 13 55.615 0.2 . 1 . . . . 378 HIS CA . 26762 1 292 . 1 1 71 71 HIS CB C 13 30.515 0.2 . 1 . . . . 378 HIS CB . 26762 1 293 . 1 1 71 71 HIS N N 15 122.975 0.03 . 1 . . . . 378 HIS N . 26762 1 294 . 1 1 72 72 PHE H H 1 8.175 0.003 . 1 . . . . 379 PHE H . 26762 1 295 . 1 1 72 72 PHE C C 13 175.345 0.03 . 1 . . . . 379 PHE C . 26762 1 296 . 1 1 72 72 PHE CA C 13 58.265 0.2 . 1 . . . . 379 PHE CA . 26762 1 297 . 1 1 72 72 PHE CB C 13 39.555 0.2 . 1 . . . . 379 PHE CB . 26762 1 298 . 1 1 72 72 PHE N N 15 122.065 0.03 . 1 . . . . 379 PHE N . 26762 1 299 . 1 1 73 73 TRP H H 1 8.075 0.003 . 1 . . . . 380 TRP H . 26762 1 300 . 1 1 73 73 TRP C C 13 176.025 0.03 . 1 . . . . 380 TRP C . 26762 1 301 . 1 1 73 73 TRP CA C 13 57.215 0.2 . 1 . . . . 380 TRP CA . 26762 1 302 . 1 1 73 73 TRP CB C 13 29.655 0.2 . 1 . . . . 380 TRP CB . 26762 1 303 . 1 1 73 73 TRP N N 15 122.315 0.03 . 1 . . . . 380 TRP N . 26762 1 304 . 1 1 74 74 SER H H 1 8.075 0.003 . 1 . . . . 381 SER H . 26762 1 305 . 1 1 74 74 SER C C 13 174.605 0.03 . 1 . . . . 381 SER C . 26762 1 306 . 1 1 74 74 SER CA C 13 58.375 0.2 . 1 . . . . 381 SER CA . 26762 1 307 . 1 1 74 74 SER CB C 13 63.925 0.2 . 1 . . . . 381 SER CB . 26762 1 308 . 1 1 74 74 SER N N 15 117.225 0.03 . 1 . . . . 381 SER N . 26762 1 309 . 1 1 75 75 THR H H 1 8.185 0.003 . 1 . . . . 382 THR H . 26762 1 310 . 1 1 75 75 THR C C 13 174.495 0.03 . 1 . . . . 382 THR C . 26762 1 311 . 1 1 75 75 THR CA C 13 62.155 0.2 . 1 . . . . 382 THR CA . 26762 1 312 . 1 1 75 75 THR CB C 13 69.565 0.2 . 1 . . . . 382 THR CB . 26762 1 313 . 1 1 75 75 THR N N 15 115.735 0.03 . 1 . . . . 382 THR N . 26762 1 314 . 1 1 76 76 LEU H H 1 8.175 0.003 . 1 . . . . 383 LEU H . 26762 1 315 . 1 1 76 76 LEU C C 13 177.235 0.03 . 1 . . . . 383 LEU C . 26762 1 316 . 1 1 76 76 LEU CA C 13 55.005 0.2 . 1 . . . . 383 LEU CA . 26762 1 317 . 1 1 76 76 LEU CB C 13 42.345 0.2 . 1 . . . . 383 LEU CB . 26762 1 318 . 1 1 76 76 LEU N N 15 123.955 0.03 . 1 . . . . 383 LEU N . 26762 1 319 . 1 1 77 77 SER H H 1 8.335 0.003 . 1 . . . . 384 SER H . 26762 1 320 . 1 1 77 77 SER CA C 13 56.325 0.2 . 1 . . . . 384 SER CA . 26762 1 321 . 1 1 77 77 SER CB C 13 63.245 0.2 . 1 . . . . 384 SER CB . 26762 1 322 . 1 1 77 77 SER N N 15 118.425 0.03 . 1 . . . . 384 SER N . 26762 1 323 . 1 1 78 78 PRO C C 13 176.765 0.03 . 1 . . . . 385 PRO C . 26762 1 324 . 1 1 78 78 PRO CA C 13 63.115 0.2 . 1 . . . . 385 PRO CA . 26762 1 325 . 1 1 78 78 PRO CB C 13 32.115 0.2 . 1 . . . . 385 PRO CB . 26762 1 326 . 1 1 79 79 ILE H H 1 8.235 0.003 . 1 . . . . 386 ILE H . 26762 1 327 . 1 1 79 79 ILE C C 13 175.815 0.03 . 1 . . . . 386 ILE C . 26762 1 328 . 1 1 79 79 ILE CA C 13 60.765 0.2 . 1 . . . . 386 ILE CA . 26762 1 329 . 1 1 79 79 ILE CB C 13 38.695 0.2 . 1 . . . . 386 ILE CB . 26762 1 330 . 1 1 79 79 ILE N N 15 120.995 0.03 . 1 . . . . 386 ILE N . 26762 1 331 . 1 1 80 80 ALA H H 1 8.445 0.003 . 1 . . . . 387 ALA H . 26762 1 332 . 1 1 80 80 ALA CA C 13 50.465 0.2 . 1 . . . . 387 ALA CA . 26762 1 333 . 1 1 80 80 ALA CB C 13 18.015 0.2 . 1 . . . . 387 ALA CB . 26762 1 334 . 1 1 80 80 ALA N N 15 130.365 0.03 . 1 . . . . 387 ALA N . 26762 1 335 . 1 1 81 81 PRO C C 13 176.875 0.03 . 1 . . . . 388 PRO C . 26762 1 336 . 1 1 81 81 PRO CA C 13 62.815 0.2 . 1 . . . . 388 PRO CA . 26762 1 337 . 1 1 81 81 PRO CB C 13 32.135 0.2 . 1 . . . . 388 PRO CB . 26762 1 338 . 1 1 82 82 ARG H H 1 8.595 0.003 . 1 . . . . 389 ARG H . 26762 1 339 . 1 1 82 82 ARG C C 13 176.345 0.03 . 1 . . . . 389 ARG C . 26762 1 340 . 1 1 82 82 ARG CA C 13 55.975 0.2 . 1 . . . . 389 ARG CA . 26762 1 341 . 1 1 82 82 ARG CB C 13 30.925 0.2 . 1 . . . . 389 ARG CB . 26762 1 342 . 1 1 82 82 ARG N N 15 121.835 0.03 . 1 . . . . 389 ARG N . 26762 1 343 . 1 1 83 83 SER H H 1 8.545 0.003 . 1 . . . . 390 SER H . 26762 1 344 . 1 1 83 83 SER CA C 13 56.375 0.2 . 1 . . . . 390 SER CA . 26762 1 345 . 1 1 83 83 SER CB C 13 63.235 0.2 . 1 . . . . 390 SER CB . 26762 1 346 . 1 1 83 83 SER N N 15 119.055 0.03 . 1 . . . . 390 SER N . 26762 1 347 . 1 1 84 84 PRO C C 13 176.605 0.03 . 1 . . . . 391 PRO C . 26762 1 348 . 1 1 84 84 PRO CA C 13 63.115 0.2 . 1 . . . . 391 PRO CA . 26762 1 349 . 1 1 84 84 PRO CB C 13 32.155 0.2 . 1 . . . . 391 PRO CB . 26762 1 350 . 1 1 85 85 ALA H H 1 8.475 0.003 . 1 . . . . 392 ALA H . 26762 1 351 . 1 1 85 85 ALA C C 13 177.855 0.03 . 1 . . . . 392 ALA C . 26762 1 352 . 1 1 85 85 ALA CA C 13 52.535 0.2 . 1 . . . . 392 ALA CA . 26762 1 353 . 1 1 85 85 ALA CB C 13 19.115 0.2 . 1 . . . . 392 ALA CB . 26762 1 354 . 1 1 85 85 ALA N N 15 124.755 0.03 . 1 . . . . 392 ALA N . 26762 1 355 . 1 1 86 86 LYS H H 1 8.435 0.003 . 1 . . . . 393 LYS H . 26762 1 356 . 1 1 86 86 LYS C C 13 176.585 0.03 . 1 . . . . 393 LYS C . 26762 1 357 . 1 1 86 86 LYS CA C 13 56.195 0.2 . 1 . . . . 393 LYS CA . 26762 1 358 . 1 1 86 86 LYS CB C 13 33.025 0.2 . 1 . . . . 393 LYS CB . 26762 1 359 . 1 1 86 86 LYS N N 15 121.265 0.03 . 1 . . . . 393 LYS N . 26762 1 360 . 1 1 87 87 LEU H H 1 8.405 0.003 . 1 . . . . 394 LEU H . 26762 1 361 . 1 1 87 87 LEU C C 13 177.315 0.03 . 1 . . . . 394 LEU C . 26762 1 362 . 1 1 87 87 LEU CA C 13 55.015 0.2 . 1 . . . . 394 LEU CA . 26762 1 363 . 1 1 87 87 LEU CB C 13 42.375 0.2 . 1 . . . . 394 LEU CB . 26762 1 364 . 1 1 87 87 LEU N N 15 124.085 0.03 . 1 . . . . 394 LEU N . 26762 1 365 . 1 1 88 88 SER H H 1 8.335 0.003 . 1 . . . . 395 SER H . 26762 1 366 . 1 1 88 88 SER C C 13 174.005 0.03 . 1 . . . . 395 SER C . 26762 1 367 . 1 1 88 88 SER CA C 13 58.115 0.2 . 1 . . . . 395 SER CA . 26762 1 368 . 1 1 88 88 SER CB C 13 63.875 0.2 . 1 . . . . 395 SER CB . 26762 1 369 . 1 1 88 88 SER N N 15 116.755 0.03 . 1 . . . . 395 SER N . 26762 1 370 . 1 1 89 89 PHE H H 1 8.305 0.003 . 1 . . . . 396 PHE H . 26762 1 371 . 1 1 89 89 PHE C C 13 175.145 0.03 . 1 . . . . 396 PHE C . 26762 1 372 . 1 1 89 89 PHE CA C 13 57.805 0.2 . 1 . . . . 396 PHE CA . 26762 1 373 . 1 1 89 89 PHE CB C 13 39.645 0.2 . 1 . . . . 396 PHE CB . 26762 1 374 . 1 1 89 89 PHE N N 15 122.355 0.03 . 1 . . . . 396 PHE N . 26762 1 375 . 1 1 90 90 GLN H H 1 8.125 0.003 . 1 . . . . 397 GLN H . 26762 1 376 . 1 1 90 90 GLN C C 13 174.795 0.03 . 1 . . . . 397 GLN C . 26762 1 377 . 1 1 90 90 GLN CA C 13 55.245 0.2 . 1 . . . . 397 GLN CA . 26762 1 378 . 1 1 90 90 GLN CB C 13 29.795 0.2 . 1 . . . . 397 GLN CB . 26762 1 379 . 1 1 90 90 GLN N N 15 122.325 0.03 . 1 . . . . 397 GLN N . 26762 1 380 . 1 1 91 91 PHE H H 1 8.345 0.003 . 1 . . . . 398 PHE H . 26762 1 381 . 1 1 91 91 PHE CA C 13 56.035 0.2 . 1 . . . . 398 PHE CA . 26762 1 382 . 1 1 91 91 PHE CB C 13 38.825 0.2 . 1 . . . . 398 PHE CB . 26762 1 383 . 1 1 91 91 PHE N N 15 122.545 0.03 . 1 . . . . 398 PHE N . 26762 1 384 . 1 1 92 92 PRO C C 13 177.025 0.03 . 1 . . . . 399 PRO C . 26762 1 385 . 1 1 92 92 PRO CA C 13 63.145 0.2 . 1 . . . . 399 PRO CA . 26762 1 386 . 1 1 92 92 PRO CB C 13 32.095 0.2 . 1 . . . . 399 PRO CB . 26762 1 387 . 1 1 93 93 SER H H 1 8.645 0.003 . 1 . . . . 400 SER H . 26762 1 388 . 1 1 93 93 SER C C 13 174.945 0.03 . 1 . . . . 400 SER C . 26762 1 389 . 1 1 93 93 SER CA C 13 58.355 0.2 . 1 . . . . 400 SER CA . 26762 1 390 . 1 1 93 93 SER CB C 13 63.825 0.2 . 1 . . . . 400 SER CB . 26762 1 391 . 1 1 93 93 SER N N 15 116.805 0.03 . 1 . . . . 400 SER N . 26762 1 392 . 1 1 94 94 SER H H 1 8.555 0.003 . 1 . . . . 401 SER H . 26762 1 393 . 1 1 94 94 SER C C 13 175.195 0.03 . 1 . . . . 401 SER C . 26762 1 394 . 1 1 94 94 SER CA C 13 58.645 0.2 . 1 . . . . 401 SER CA . 26762 1 395 . 1 1 94 94 SER CB C 13 63.865 0.2 . 1 . . . . 401 SER CB . 26762 1 396 . 1 1 94 94 SER N N 15 117.945 0.03 . 1 . . . . 401 SER N . 26762 1 397 . 1 1 95 95 GLY H H 1 8.565 0.003 . 1 . . . . 402 GLY H . 26762 1 398 . 1 1 95 95 GLY C C 13 174.295 0.03 . 1 . . . . 402 GLY C . 26762 1 399 . 1 1 95 95 GLY CA C 13 45.345 0.2 . 1 . . . . 402 GLY CA . 26762 1 400 . 1 1 95 95 GLY N N 15 111.085 0.03 . 1 . . . . 402 GLY N . 26762 1 401 . 1 1 96 96 SER H H 1 8.305 0.003 . 1 . . . . 403 SER H . 26762 1 402 . 1 1 96 96 SER C C 13 174.375 0.03 . 1 . . . . 403 SER C . 26762 1 403 . 1 1 96 96 SER CA C 13 58.365 0.2 . 1 . . . . 403 SER CA . 26762 1 404 . 1 1 96 96 SER CB C 13 63.955 0.2 . 1 . . . . 403 SER CB . 26762 1 405 . 1 1 96 96 SER N N 15 115.905 0.03 . 1 . . . . 403 SER N . 26762 1 406 . 1 1 97 97 ALA H H 1 8.475 0.003 . 1 . . . . 404 ALA H . 26762 1 407 . 1 1 97 97 ALA C C 13 177.655 0.03 . 1 . . . . 404 ALA C . 26762 1 408 . 1 1 97 97 ALA CA C 13 52.555 0.2 . 1 . . . . 404 ALA CA . 26762 1 409 . 1 1 97 97 ALA CB C 13 19.065 0.2 . 1 . . . . 404 ALA CB . 26762 1 410 . 1 1 97 97 ALA N N 15 126.005 0.03 . 1 . . . . 404 ALA N . 26762 1 411 . 1 1 98 98 GLN H H 1 8.415 0.003 . 1 . . . . 405 GLN H . 26762 1 412 . 1 1 98 98 GLN C C 13 175.825 0.03 . 1 . . . . 405 GLN C . 26762 1 413 . 1 1 98 98 GLN CA C 13 55.655 0.2 . 1 . . . . 405 GLN CA . 26762 1 414 . 1 1 98 98 GLN CB C 13 29.515 0.2 . 1 . . . . 405 GLN CB . 26762 1 415 . 1 1 98 98 GLN N N 15 120.055 0.03 . 1 . . . . 405 GLN N . 26762 1 416 . 1 1 99 99 VAL H H 1 8.275 0.003 . 1 . . . . 406 VAL H . 26762 1 417 . 1 1 99 99 VAL C C 13 175.675 0.03 . 1 . . . . 406 VAL C . 26762 1 418 . 1 1 99 99 VAL CA C 13 62.185 0.2 . 1 . . . . 406 VAL CA . 26762 1 419 . 1 1 99 99 VAL CB C 13 32.855 0.2 . 1 . . . . 406 VAL CB . 26762 1 420 . 1 1 99 99 VAL N N 15 122.325 0.03 . 1 . . . . 406 VAL N . 26762 1 421 . 1 1 100 100 HIS H H 1 8.665 0.003 . 1 . . . . 407 HIS H . 26762 1 422 . 1 1 100 100 HIS C C 13 174.575 0.03 . 1 . . . . 407 HIS C . 26762 1 423 . 1 1 100 100 HIS CA C 13 55.775 0.2 . 1 . . . . 407 HIS CA . 26762 1 424 . 1 1 100 100 HIS CB C 13 30.555 0.2 . 1 . . . . 407 HIS CB . 26762 1 425 . 1 1 100 100 HIS N N 15 124.675 0.03 . 1 . . . . 407 HIS N . 26762 1 426 . 1 1 101 101 ILE H H 1 8.385 0.003 . 1 . . . . 408 ILE H . 26762 1 427 . 1 1 101 101 ILE CA C 13 58.375 0.2 . 1 . . . . 408 ILE CA . 26762 1 428 . 1 1 101 101 ILE CB C 13 38.525 0.2 . 1 . . . . 408 ILE CB . 26762 1 429 . 1 1 101 101 ILE N N 15 126.585 0.03 . 1 . . . . 408 ILE N . 26762 1 430 . 1 1 102 102 PRO C C 13 176.755 0.03 . 1 . . . . 409 PRO C . 26762 1 431 . 1 1 102 102 PRO CA C 13 63.125 0.2 . 1 . . . . 409 PRO CA . 26762 1 432 . 1 1 102 102 PRO CB C 13 32.275 0.2 . 1 . . . . 409 PRO CB . 26762 1 433 . 1 1 103 103 SER H H 1 8.575 0.003 . 1 . . . . 410 SER H . 26762 1 434 . 1 1 103 103 SER C C 13 174.505 0.03 . 1 . . . . 410 SER C . 26762 1 435 . 1 1 103 103 SER CA C 13 58.205 0.2 . 1 . . . . 410 SER CA . 26762 1 436 . 1 1 103 103 SER CB C 13 63.775 0.2 . 1 . . . . 410 SER CB . 26762 1 437 . 1 1 103 103 SER N N 15 116.975 0.03 . 1 . . . . 410 SER N . 26762 1 438 . 1 1 104 104 ILE H H 1 8.335 0.003 . 1 . . . . 411 ILE H . 26762 1 439 . 1 1 104 104 ILE C C 13 176.195 0.03 . 1 . . . . 411 ILE C . 26762 1 440 . 1 1 104 104 ILE CA C 13 61.055 0.2 . 1 . . . . 411 ILE CA . 26762 1 441 . 1 1 104 104 ILE CB C 13 39.035 0.2 . 1 . . . . 411 ILE CB . 26762 1 442 . 1 1 104 104 ILE N N 15 122.785 0.03 . 1 . . . . 411 ILE N . 26762 1 443 . 1 1 105 105 SER H H 1 8.545 0.003 . 1 . . . . 412 SER H . 26762 1 444 . 1 1 105 105 SER C C 13 174.895 0.03 . 1 . . . . 412 SER C . 26762 1 445 . 1 1 105 105 SER CA C 13 57.955 0.2 . 1 . . . . 412 SER CA . 26762 1 446 . 1 1 105 105 SER CB C 13 63.945 0.2 . 1 . . . . 412 SER CB . 26762 1 447 . 1 1 105 105 SER N N 15 120.565 0.03 . 1 . . . . 412 SER N . 26762 1 448 . 1 1 106 106 VAL H H 1 8.495 0.003 . 1 . . . . 413 VAL H . 26762 1 449 . 1 1 106 106 VAL C C 13 176.155 0.03 . 1 . . . . 413 VAL C . 26762 1 450 . 1 1 106 106 VAL CA C 13 62.415 0.2 . 1 . . . . 413 VAL CA . 26762 1 451 . 1 1 106 106 VAL CB C 13 32.635 0.2 . 1 . . . . 413 VAL CB . 26762 1 452 . 1 1 106 106 VAL N N 15 122.405 0.03 . 1 . . . . 413 VAL N . 26762 1 453 . 1 1 107 107 ASP H H 1 8.435 0.003 . 1 . . . . 414 ASP H . 26762 1 454 . 1 1 107 107 ASP C C 13 176.815 0.03 . 1 . . . . 414 ASP C . 26762 1 455 . 1 1 107 107 ASP CA C 13 54.455 0.2 . 1 . . . . 414 ASP CA . 26762 1 456 . 1 1 107 107 ASP CB C 13 41.085 0.2 . 1 . . . . 414 ASP CB . 26762 1 457 . 1 1 107 107 ASP N N 15 123.155 0.03 . 1 . . . . 414 ASP N . 26762 1 458 . 1 1 108 108 GLY H H 1 8.395 0.003 . 1 . . . . 415 GLY H . 26762 1 459 . 1 1 108 108 GLY C C 13 174.315 0.03 . 1 . . . . 415 GLY C . 26762 1 460 . 1 1 108 108 GLY CA C 13 45.465 0.2 . 1 . . . . 415 GLY CA . 26762 1 461 . 1 1 108 108 GLY N N 15 109.365 0.03 . 1 . . . . 415 GLY N . 26762 1 462 . 1 1 109 109 LEU H H 1 8.175 0.003 . 1 . . . . 416 LEU H . 26762 1 463 . 1 1 109 109 LEU C C 13 177.665 0.03 . 1 . . . . 416 LEU C . 26762 1 464 . 1 1 109 109 LEU CA C 13 55.045 0.2 . 1 . . . . 416 LEU CA . 26762 1 465 . 1 1 109 109 LEU CB C 13 42.415 0.2 . 1 . . . . 416 LEU CB . 26762 1 466 . 1 1 109 109 LEU N N 15 121.435 0.03 . 1 . . . . 416 LEU N . 26762 1 467 . 1 1 110 110 SER H H 1 8.465 0.003 . 1 . . . . 417 SER H . 26762 1 468 . 1 1 110 110 SER C C 13 174.255 0.03 . 1 . . . . 417 SER C . 26762 1 469 . 1 1 110 110 SER CA C 13 58.205 0.2 . 1 . . . . 417 SER CA . 26762 1 470 . 1 1 110 110 SER CB C 13 63.755 0.2 . 1 . . . . 417 SER CB . 26762 1 471 . 1 1 110 110 SER N N 15 117.115 0.03 . 1 . . . . 417 SER N . 26762 1 472 . 1 1 111 111 THR H H 1 8.315 0.003 . 1 . . . . 418 THR H . 26762 1 473 . 1 1 111 111 THR CA C 13 59.965 0.2 . 1 . . . . 418 THR CA . 26762 1 474 . 1 1 111 111 THR CB C 13 69.845 0.2 . 1 . . . . 418 THR CB . 26762 1 475 . 1 1 111 111 THR N N 15 119.305 0.03 . 1 . . . . 418 THR N . 26762 1 476 . 1 1 112 112 PRO C C 13 176.715 0.03 . 1 . . . . 419 PRO C . 26762 1 477 . 1 1 112 112 PRO CA C 13 63.145 0.2 . 1 . . . . 419 PRO CA . 26762 1 478 . 1 1 112 112 PRO CB C 13 32.355 0.2 . 1 . . . . 419 PRO CB . 26762 1 479 . 1 1 113 113 VAL H H 1 8.455 0.003 . 1 . . . . 420 VAL H . 26762 1 480 . 1 1 113 113 VAL C C 13 176.145 0.03 . 1 . . . . 420 VAL C . 26762 1 481 . 1 1 113 113 VAL CA C 13 62.535 0.2 . 1 . . . . 420 VAL CA . 26762 1 482 . 1 1 113 113 VAL CB C 13 32.755 0.2 . 1 . . . . 420 VAL CB . 26762 1 483 . 1 1 113 113 VAL N N 15 122.295 0.03 . 1 . . . . 420 VAL N . 26762 1 484 . 1 1 114 114 VAL H H 1 8.495 0.003 . 1 . . . . 421 VAL H . 26762 1 485 . 1 1 114 114 VAL C C 13 175.935 0.03 . 1 . . . . 421 VAL C . 26762 1 486 . 1 1 114 114 VAL CA C 13 62.065 0.2 . 1 . . . . 421 VAL CA . 26762 1 487 . 1 1 114 114 VAL CB C 13 32.875 0.2 . 1 . . . . 421 VAL CB . 26762 1 488 . 1 1 114 114 VAL N N 15 126.695 0.03 . 1 . . . . 421 VAL N . 26762 1 489 . 1 1 115 115 LEU H H 1 8.615 0.003 . 1 . . . . 422 LEU H . 26762 1 490 . 1 1 115 115 LEU C C 13 177.055 0.03 . 1 . . . . 422 LEU C . 26762 1 491 . 1 1 115 115 LEU CA C 13 54.745 0.2 . 1 . . . . 422 LEU CA . 26762 1 492 . 1 1 115 115 LEU CB C 13 42.425 0.2 . 1 . . . . 422 LEU CB . 26762 1 493 . 1 1 115 115 LEU N N 15 128.075 0.03 . 1 . . . . 422 LEU N . 26762 1 494 . 1 1 116 116 SER H H 1 8.555 0.003 . 1 . . . . 423 SER H . 26762 1 495 . 1 1 116 116 SER CA C 13 56.195 0.2 . 1 . . . . 423 SER CA . 26762 1 496 . 1 1 116 116 SER CB C 13 63.275 0.2 . 1 . . . . 423 SER CB . 26762 1 497 . 1 1 116 116 SER N N 15 118.855 0.03 . 1 . . . . 423 SER N . 26762 1 498 . 1 1 117 117 PRO C C 13 177.195 0.03 . 1 . . . . 424 PRO C . 26762 1 499 . 1 1 117 117 PRO CA C 13 63.305 0.2 . 1 . . . . 424 PRO CA . 26762 1 500 . 1 1 117 117 PRO CB C 13 32.395 0.2 . 1 . . . . 424 PRO CB . 26762 1 501 . 1 1 118 118 GLY H H 1 8.385 0.003 . 1 . . . . 425 GLY H . 26762 1 502 . 1 1 118 118 GLY CA C 13 44.415 0.2 . 1 . . . . 425 GLY CA . 26762 1 503 . 1 1 118 118 GLY N N 15 109.325 0.03 . 1 . . . . 425 GLY N . 26762 1 504 . 1 1 119 119 PRO C C 13 177.145 0.03 . 1 . . . . 426 PRO C . 26762 1 505 . 1 1 119 119 PRO CA C 13 62.955 0.2 . 1 . . . . 426 PRO CA . 26762 1 506 . 1 1 119 119 PRO CB C 13 32.165 0.2 . 1 . . . . 426 PRO CB . 26762 1 507 . 1 1 120 120 GLN H H 1 8.695 0.003 . 1 . . . . 427 GLN H . 26762 1 508 . 1 1 120 120 GLN C C 13 175.815 0.03 . 1 . . . . 427 GLN C . 26762 1 509 . 1 1 120 120 GLN CA C 13 55.435 0.2 . 1 . . . . 427 GLN CA . 26762 1 510 . 1 1 120 120 GLN CB C 13 29.595 0.2 . 1 . . . . 427 GLN CB . 26762 1 511 . 1 1 120 120 GLN N N 15 121.525 0.03 . 1 . . . . 427 GLN N . 26762 1 512 . 1 1 121 121 LYS H H 1 8.565 0.003 . 1 . . . . 428 LYS H . 26762 1 513 . 1 1 121 121 LYS CA C 13 54.265 0.2 . 1 . . . . 428 LYS CA . 26762 1 514 . 1 1 121 121 LYS CB C 13 32.455 0.2 . 1 . . . . 428 LYS CB . 26762 1 515 . 1 1 121 121 LYS N N 15 125.465 0.03 . 1 . . . . 428 LYS N . 26762 1 stop_ save_