data_51952 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51952 _Entry.Title ; Human eIF4B first half of C-terminal region ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-05-04 _Entry.Accession_date 2023-05-04 _Entry.Last_release_date 2023-05-04 _Entry.Original_release_date 2023-05-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Somnath Mondal . . . 0000-0002-5657-8077 51952 2 Sabrina Rousseau . . . . 51952 3 Mikayel Aznauryan . . . 0000-0002-5395-3441 51952 4 Cameron Mackereth . D. . 0000-0002-0776-7947 51952 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51952 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 363 51952 '15N chemical shifts' 123 51952 '1H chemical shifts' 243 51952 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-11-14 2023-05-04 update BMRB 'update entry citation' 51952 1 . . 2023-05-13 2023-05-04 original author 'original release' 51952 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51953 'Human eIF4B second half of C-terminal region' 51952 BMRB 51957 'Human eIF4B C-terminal region' 51952 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51952 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37368134 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone resonance assignments of the C-terminal region of human translation initiation factor eIF4B ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 17 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 199 _Citation.Page_last 203 _Citation.Year 2023 _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 Somnath Mondal S. . . . 51952 1 2 Sabrina Rousseau S. . . . 51952 1 3 Vincent Talenton V. . . . 51952 1 4 'Cheikh Ahmadou Bamba' Thiam . . . . 51952 1 5 Mikayel Aznauryan M. . . . 51952 1 6 Cameron Mackereth C. D. . . 51952 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID IDP 51952 1 'intrinsically disordered region' 51952 1 'translation initiation' 51952 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51952 _Assembly.ID 1 _Assembly.Name CTRN _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 eIF4B-CTRN 1 $entity_1 . . yes native no no . . . 51952 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51952 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GCKLNLKPRSTPKEDDSSAS TSQSTRAASIFGGAKPVDTA AREREVEERLQKEQEKLQRQ LDEPKLERRPRERHPSWRSE ETQERERSRTGSESSQTGTS TTSSRNARRRESEKSLENET LNKEEDC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Gly-Cys- was added at the N-terminus' _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P23588 . IF4B_HUMAN . . . . . . . . . . . . . . 51952 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Translation initiation' 51952 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 51952 1 2 . CYS . 51952 1 3 333 LYS . 51952 1 4 334 LEU . 51952 1 5 335 ASN . 51952 1 6 336 LEU . 51952 1 7 337 LYS . 51952 1 8 338 PRO . 51952 1 9 339 ARG . 51952 1 10 340 SER . 51952 1 11 341 THR . 51952 1 12 342 PRO . 51952 1 13 343 LYS . 51952 1 14 344 GLU . 51952 1 15 345 ASP . 51952 1 16 346 ASP . 51952 1 17 347 SER . 51952 1 18 348 SER . 51952 1 19 349 ALA . 51952 1 20 350 SER . 51952 1 21 351 THR . 51952 1 22 352 SER . 51952 1 23 353 GLN . 51952 1 24 354 SER . 51952 1 25 355 THR . 51952 1 26 356 ARG . 51952 1 27 357 ALA . 51952 1 28 358 ALA . 51952 1 29 359 SER . 51952 1 30 360 ILE . 51952 1 31 361 PHE . 51952 1 32 362 GLY . 51952 1 33 363 GLY . 51952 1 34 364 ALA . 51952 1 35 365 LYS . 51952 1 36 366 PRO . 51952 1 37 367 VAL . 51952 1 38 368 ASP . 51952 1 39 369 THR . 51952 1 40 370 ALA . 51952 1 41 371 ALA . 51952 1 42 372 ARG . 51952 1 43 373 GLU . 51952 1 44 374 ARG . 51952 1 45 375 GLU . 51952 1 46 376 VAL . 51952 1 47 377 GLU . 51952 1 48 378 GLU . 51952 1 49 379 ARG . 51952 1 50 380 LEU . 51952 1 51 381 GLN . 51952 1 52 382 LYS . 51952 1 53 383 GLU . 51952 1 54 384 GLN . 51952 1 55 385 GLU . 51952 1 56 386 LYS . 51952 1 57 387 LEU . 51952 1 58 388 GLN . 51952 1 59 389 ARG . 51952 1 60 390 GLN . 51952 1 61 391 LEU . 51952 1 62 392 ASP . 51952 1 63 393 GLU . 51952 1 64 394 PRO . 51952 1 65 395 LYS . 51952 1 66 396 LEU . 51952 1 67 397 GLU . 51952 1 68 398 ARG . 51952 1 69 399 ARG . 51952 1 70 400 PRO . 51952 1 71 401 ARG . 51952 1 72 402 GLU . 51952 1 73 403 ARG . 51952 1 74 404 HIS . 51952 1 75 405 PRO . 51952 1 76 406 SER . 51952 1 77 407 TRP . 51952 1 78 408 ARG . 51952 1 79 409 SER . 51952 1 80 410 GLU . 51952 1 81 411 GLU . 51952 1 82 412 THR . 51952 1 83 413 GLN . 51952 1 84 414 GLU . 51952 1 85 415 ARG . 51952 1 86 416 GLU . 51952 1 87 417 ARG . 51952 1 88 418 SER . 51952 1 89 419 ARG . 51952 1 90 420 THR . 51952 1 91 421 GLY . 51952 1 92 422 SER . 51952 1 93 423 GLU . 51952 1 94 424 SER . 51952 1 95 425 SER . 51952 1 96 426 GLN . 51952 1 97 427 THR . 51952 1 98 428 GLY . 51952 1 99 429 THR . 51952 1 100 430 SER . 51952 1 101 431 THR . 51952 1 102 432 THR . 51952 1 103 433 SER . 51952 1 104 434 SER . 51952 1 105 435 ARG . 51952 1 106 436 ASN . 51952 1 107 437 ALA . 51952 1 108 438 ARG . 51952 1 109 439 ARG . 51952 1 110 440 ARG . 51952 1 111 441 GLU . 51952 1 112 442 SER . 51952 1 113 443 GLU . 51952 1 114 444 LYS . 51952 1 115 445 SER . 51952 1 116 446 LEU . 51952 1 117 447 GLU . 51952 1 118 448 ASN . 51952 1 119 449 GLU . 51952 1 120 450 THR . 51952 1 121 451 LEU . 51952 1 122 452 ASN . 51952 1 123 453 LYS . 51952 1 124 454 GLU . 51952 1 125 455 GLU . 51952 1 126 456 ASP . 51952 1 127 457 CYS . 51952 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 51952 1 . CYS 2 2 51952 1 . LYS 3 3 51952 1 . LEU 4 4 51952 1 . ASN 5 5 51952 1 . LEU 6 6 51952 1 . LYS 7 7 51952 1 . PRO 8 8 51952 1 . ARG 9 9 51952 1 . SER 10 10 51952 1 . THR 11 11 51952 1 . PRO 12 12 51952 1 . LYS 13 13 51952 1 . GLU 14 14 51952 1 . ASP 15 15 51952 1 . ASP 16 16 51952 1 . SER 17 17 51952 1 . SER 18 18 51952 1 . ALA 19 19 51952 1 . SER 20 20 51952 1 . THR 21 21 51952 1 . SER 22 22 51952 1 . GLN 23 23 51952 1 . SER 24 24 51952 1 . THR 25 25 51952 1 . ARG 26 26 51952 1 . ALA 27 27 51952 1 . ALA 28 28 51952 1 . SER 29 29 51952 1 . ILE 30 30 51952 1 . PHE 31 31 51952 1 . GLY 32 32 51952 1 . GLY 33 33 51952 1 . ALA 34 34 51952 1 . LYS 35 35 51952 1 . PRO 36 36 51952 1 . VAL 37 37 51952 1 . ASP 38 38 51952 1 . THR 39 39 51952 1 . ALA 40 40 51952 1 . ALA 41 41 51952 1 . ARG 42 42 51952 1 . GLU 43 43 51952 1 . ARG 44 44 51952 1 . GLU 45 45 51952 1 . VAL 46 46 51952 1 . GLU 47 47 51952 1 . GLU 48 48 51952 1 . ARG 49 49 51952 1 . LEU 50 50 51952 1 . GLN 51 51 51952 1 . LYS 52 52 51952 1 . GLU 53 53 51952 1 . GLN 54 54 51952 1 . GLU 55 55 51952 1 . LYS 56 56 51952 1 . LEU 57 57 51952 1 . GLN 58 58 51952 1 . ARG 59 59 51952 1 . GLN 60 60 51952 1 . LEU 61 61 51952 1 . ASP 62 62 51952 1 . GLU 63 63 51952 1 . PRO 64 64 51952 1 . LYS 65 65 51952 1 . LEU 66 66 51952 1 . GLU 67 67 51952 1 . ARG 68 68 51952 1 . ARG 69 69 51952 1 . PRO 70 70 51952 1 . ARG 71 71 51952 1 . GLU 72 72 51952 1 . ARG 73 73 51952 1 . HIS 74 74 51952 1 . PRO 75 75 51952 1 . SER 76 76 51952 1 . TRP 77 77 51952 1 . ARG 78 78 51952 1 . SER 79 79 51952 1 . GLU 80 80 51952 1 . GLU 81 81 51952 1 . THR 82 82 51952 1 . GLN 83 83 51952 1 . GLU 84 84 51952 1 . ARG 85 85 51952 1 . GLU 86 86 51952 1 . ARG 87 87 51952 1 . SER 88 88 51952 1 . ARG 89 89 51952 1 . THR 90 90 51952 1 . GLY 91 91 51952 1 . SER 92 92 51952 1 . GLU 93 93 51952 1 . SER 94 94 51952 1 . SER 95 95 51952 1 . GLN 96 96 51952 1 . THR 97 97 51952 1 . GLY 98 98 51952 1 . THR 99 99 51952 1 . SER 100 100 51952 1 . THR 101 101 51952 1 . THR 102 102 51952 1 . SER 103 103 51952 1 . SER 104 104 51952 1 . ARG 105 105 51952 1 . ASN 106 106 51952 1 . ALA 107 107 51952 1 . ARG 108 108 51952 1 . ARG 109 109 51952 1 . ARG 110 110 51952 1 . GLU 111 111 51952 1 . SER 112 112 51952 1 . GLU 113 113 51952 1 . LYS 114 114 51952 1 . SER 115 115 51952 1 . LEU 116 116 51952 1 . GLU 117 117 51952 1 . ASN 118 118 51952 1 . GLU 119 119 51952 1 . THR 120 120 51952 1 . LEU 121 121 51952 1 . ASN 122 122 51952 1 . LYS 123 123 51952 1 . GLU 124 124 51952 1 . GLU 125 125 51952 1 . ASP 126 126 51952 1 . CYS 127 127 51952 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51952 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51952 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51952 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 pLysY . plasmid . . 2B-T . . 'pET His6 TEV LIC cloning vector (Addgene #29666)' 51952 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51952 _Sample.ID 1 _Sample.Name 13C,15N _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CTRN '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 460 . . uM . . . . 51952 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51952 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51952 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51952 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 51952 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'sample condition' _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' 170 . mM 51952 1 pH 7.0 . pH 51952 1 pressure 1 . atm 51952 1 temperature 293 . K 51952 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51952 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51952 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51952 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51952 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51952 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51952 3 'data analysis' . 51952 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51952 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51952 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51952 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51952 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51952 1 4 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51952 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51952 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51952 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51952 1 8 '3D HA(CACO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51952 1 9 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51952 1 10 '3D N(COCA)NNH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51952 1 11 '3D HACAN' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51952 1 12 '3D HACA(CO)N' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51952 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51952 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name referencing _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . 51952 1 H 1 water protons . . . . ppm 4.821 internal direct 1 . . . . . 51952 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 51952 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51952 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name chemical_shifts _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1D 1H' . . . 51952 1 2 '2D 1H-15N HSQC' . . . 51952 1 3 '3D HNCO' . . . 51952 1 4 '3D HN(CA)CO' . . . 51952 1 5 '3D HNCACB' . . . 51952 1 6 '3D HNCA' . . . 51952 1 7 '3D CBCA(CO)NH' . . . 51952 1 8 '3D HA(CACO)NH' . . . 51952 1 9 '3D HNHA' . . . 51952 1 10 '3D N(COCA)NNH' . . . 51952 1 11 '3D HACAN' . . . 51952 1 12 '3D HACA(CO)N' . . . 51952 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51952 1 2 $software_2 . . 51952 1 3 $software_3 . . 51952 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 LYS HA H 1 4.305 0.02 . 1 . . . . . 333 LYS HA . 51952 1 2 . 1 . 1 3 3 LYS C C 13 176.368 0.2 . 1 . . . . . 333 LYS C . 51952 1 3 . 1 . 1 3 3 LYS CA C 13 56.524 0.032 . 1 . . . . . 333 LYS CA . 51952 1 4 . 1 . 1 3 3 LYS CB C 13 32.791 0.016 . 1 . . . . . 333 LYS CB . 51952 1 5 . 1 . 1 4 4 LEU H H 1 8.365 0.002 . 1 . . . . . 334 LEU H . 51952 1 6 . 1 . 1 4 4 LEU HA H 1 4.311 0.015 . 1 . . . . . 334 LEU HA . 51952 1 7 . 1 . 1 4 4 LEU C C 13 176.837 0.013 . 1 . . . . . 334 LEU C . 51952 1 8 . 1 . 1 4 4 LEU CA C 13 55.219 0.017 . 1 . . . . . 334 LEU CA . 51952 1 9 . 1 . 1 4 4 LEU CB C 13 42.49 0.065 . 1 . . . . . 334 LEU CB . 51952 1 10 . 1 . 1 4 4 LEU N N 15 123.805 0.039 . 1 . . . . . 334 LEU N . 51952 1 11 . 1 . 1 5 5 ASN H H 1 8.488 0.004 . 1 . . . . . 335 ASN H . 51952 1 12 . 1 . 1 5 5 ASN HA H 1 4.656 0.02 . 1 . . . . . 335 ASN HA . 51952 1 13 . 1 . 1 5 5 ASN C C 13 174.784 0.015 . 1 . . . . . 335 ASN C . 51952 1 14 . 1 . 1 5 5 ASN CA C 13 53.073 0.029 . 1 . . . . . 335 ASN CA . 51952 1 15 . 1 . 1 5 5 ASN CB C 13 38.619 0.053 . 1 . . . . . 335 ASN CB . 51952 1 16 . 1 . 1 5 5 ASN N N 15 119.961 0.046 . 1 . . . . . 335 ASN N . 51952 1 17 . 1 . 1 6 6 LEU H H 1 8.154 0.002 . 1 . . . . . 336 LEU H . 51952 1 18 . 1 . 1 6 6 LEU HA H 1 4.314 0.004 . 1 . . . . . 336 LEU HA . 51952 1 19 . 1 . 1 6 6 LEU C C 13 177.048 0.011 . 1 . . . . . 336 LEU C . 51952 1 20 . 1 . 1 6 6 LEU CA C 13 54.958 0.026 . 1 . . . . . 336 LEU CA . 51952 1 21 . 1 . 1 6 6 LEU CB C 13 42.372 0.006 . 1 . . . . . 336 LEU CB . 51952 1 22 . 1 . 1 6 6 LEU N N 15 122.769 0.049 . 1 . . . . . 336 LEU N . 51952 1 23 . 1 . 1 7 7 LYS H H 1 8.266 0.003 . 1 . . . . . 337 LYS H . 51952 1 24 . 1 . 1 7 7 LYS HA H 1 4.565 0.007 . 1 . . . . . 337 LYS HA . 51952 1 25 . 1 . 1 7 7 LYS C C 13 174.352 0.2 . 1 . . . . . 337 LYS C . 51952 1 26 . 1 . 1 7 7 LYS CA C 13 54.199 0.064 . 1 . . . . . 337 LYS CA . 51952 1 27 . 1 . 1 7 7 LYS CB C 13 32.532 0.2 . 1 . . . . . 337 LYS CB . 51952 1 28 . 1 . 1 7 7 LYS N N 15 123.535 0.063 . 1 . . . . . 337 LYS N . 51952 1 29 . 1 . 1 8 8 PRO HA H 1 4.394 0.007 . 1 . . . . . 338 PRO HA . 51952 1 30 . 1 . 1 8 8 PRO C C 13 176.887 0.2 . 1 . . . . . 338 PRO C . 51952 1 31 . 1 . 1 8 8 PRO CA C 13 63.119 0.096 . 1 . . . . . 338 PRO CA . 51952 1 32 . 1 . 1 8 8 PRO CB C 13 32.161 0.016 . 1 . . . . . 338 PRO CB . 51952 1 33 . 1 . 1 8 8 PRO N N 15 137.43 0.026 . 1 . . . . . 338 PRO N . 51952 1 34 . 1 . 1 9 9 ARG H H 1 8.521 0.004 . 1 . . . . . 339 ARG H . 51952 1 35 . 1 . 1 9 9 ARG HA H 1 4.332 0.013 . 1 . . . . . 339 ARG HA . 51952 1 36 . 1 . 1 9 9 ARG C C 13 176.452 0.024 . 1 . . . . . 339 ARG C . 51952 1 37 . 1 . 1 9 9 ARG CA C 13 56.189 0.013 . 1 . . . . . 339 ARG CA . 51952 1 38 . 1 . 1 9 9 ARG CB C 13 30.854 0.025 . 1 . . . . . 339 ARG CB . 51952 1 39 . 1 . 1 9 9 ARG N N 15 121.842 0.076 . 1 . . . . . 339 ARG N . 51952 1 40 . 1 . 1 10 10 SER H H 1 8.427 0.011 . 1 . . . . . 340 SER H . 51952 1 41 . 1 . 1 10 10 SER HA H 1 4.496 0.02 . 1 . . . . . 340 SER HA . 51952 1 42 . 1 . 1 10 10 SER C C 13 174.154 0.2 . 1 . . . . . 340 SER C . 51952 1 43 . 1 . 1 10 10 SER CA C 13 58.134 0.027 . 1 . . . . . 340 SER CA . 51952 1 44 . 1 . 1 10 10 SER CB C 13 63.879 0.099 . 1 . . . . . 340 SER CB . 51952 1 45 . 1 . 1 10 10 SER N N 15 117.533 0.139 . 1 . . . . . 340 SER N . 51952 1 46 . 1 . 1 11 11 THR H H 1 8.232 0.003 . 1 . . . . . 341 THR H . 51952 1 47 . 1 . 1 11 11 THR HA H 1 4.591 0.012 . 1 . . . . . 341 THR HA . 51952 1 48 . 1 . 1 11 11 THR C C 13 172.773 0.2 . 1 . . . . . 341 THR C . 51952 1 49 . 1 . 1 11 11 THR CA C 13 59.787 0.009 . 1 . . . . . 341 THR CA . 51952 1 50 . 1 . 1 11 11 THR CB C 13 69.739 0.2 . 1 . . . . . 341 THR CB . 51952 1 51 . 1 . 1 11 11 THR N N 15 118.311 0.053 . 1 . . . . . 341 THR N . 51952 1 52 . 1 . 1 12 12 PRO HA H 1 4.385 0.005 . 1 . . . . . 342 PRO HA . 51952 1 53 . 1 . 1 12 12 PRO C C 13 176.833 0.2 . 1 . . . . . 342 PRO C . 51952 1 54 . 1 . 1 12 12 PRO CA C 13 63.327 0.029 . 1 . . . . . 342 PRO CA . 51952 1 55 . 1 . 1 12 12 PRO CB C 13 32.252 0.073 . 1 . . . . . 342 PRO CB . 51952 1 56 . 1 . 1 12 12 PRO N N 15 138.99 0.004 . 1 . . . . . 342 PRO N . 51952 1 57 . 1 . 1 13 13 LYS H H 1 8.445 0.002 . 1 . . . . . 343 LYS H . 51952 1 58 . 1 . 1 13 13 LYS HA H 1 4.254 0.01 . 1 . . . . . 343 LYS HA . 51952 1 59 . 1 . 1 13 13 LYS C C 13 176.752 0.2 . 1 . . . . . 343 LYS C . 51952 1 60 . 1 . 1 13 13 LYS CA C 13 56.467 0.034 . 1 . . . . . 343 LYS CA . 51952 1 61 . 1 . 1 13 13 LYS CB C 13 33.072 0.03 . 1 . . . . . 343 LYS CB . 51952 1 62 . 1 . 1 13 13 LYS N N 15 122.135 0.036 . 1 . . . . . 343 LYS N . 51952 1 63 . 1 . 1 14 14 GLU H H 1 8.531 0.005 . 1 . . . . . 344 GLU H . 51952 1 64 . 1 . 1 14 14 GLU HA H 1 4.228 0.016 . 1 . . . . . 344 GLU HA . 51952 1 65 . 1 . 1 14 14 GLU C C 13 176.166 0.001 . 1 . . . . . 344 GLU C . 51952 1 66 . 1 . 1 14 14 GLU CA C 13 56.743 0.122 . 1 . . . . . 344 GLU CA . 51952 1 67 . 1 . 1 14 14 GLU CB C 13 30.166 0.018 . 1 . . . . . 344 GLU CB . 51952 1 68 . 1 . 1 14 14 GLU N N 15 122.612 0.076 . 1 . . . . . 344 GLU N . 51952 1 69 . 1 . 1 15 15 ASP H H 1 8.377 0.002 . 1 . . . . . 345 ASP H . 51952 1 70 . 1 . 1 15 15 ASP HA H 1 4.583 0.017 . 1 . . . . . 345 ASP HA . 51952 1 71 . 1 . 1 15 15 ASP C C 13 176.076 0.023 . 1 . . . . . 345 ASP C . 51952 1 72 . 1 . 1 15 15 ASP CA C 13 54.3 0.096 . 1 . . . . . 345 ASP CA . 51952 1 73 . 1 . 1 15 15 ASP CB C 13 41.172 0.013 . 1 . . . . . 345 ASP CB . 51952 1 74 . 1 . 1 15 15 ASP N N 15 121.395 0.038 . 1 . . . . . 345 ASP N . 51952 1 75 . 1 . 1 16 16 ASP H H 1 8.297 0.002 . 1 . . . . . 346 ASP H . 51952 1 76 . 1 . 1 16 16 ASP HA H 1 4.635 0.008 . 1 . . . . . 346 ASP HA . 51952 1 77 . 1 . 1 16 16 ASP C C 13 176.918 0.001 . 1 . . . . . 346 ASP C . 51952 1 78 . 1 . 1 16 16 ASP CA C 13 54.301 0.074 . 1 . . . . . 346 ASP CA . 51952 1 79 . 1 . 1 16 16 ASP CB C 13 41.09 0.034 . 1 . . . . . 346 ASP CB . 51952 1 80 . 1 . 1 16 16 ASP N N 15 121.768 0.059 . 1 . . . . . 346 ASP N . 51952 1 81 . 1 . 1 17 17 SER H H 1 8.451 0.003 . 1 . . . . . 347 SER H . 51952 1 82 . 1 . 1 17 17 SER HA H 1 4.427 0.022 . 1 . . . . . 347 SER HA . 51952 1 83 . 1 . 1 17 17 SER C C 13 175.241 0.012 . 1 . . . . . 347 SER C . 51952 1 84 . 1 . 1 17 17 SER CA C 13 59.255 0.021 . 1 . . . . . 347 SER CA . 51952 1 85 . 1 . 1 17 17 SER CB C 13 63.649 0.028 . 1 . . . . . 347 SER CB . 51952 1 86 . 1 . 1 17 17 SER N N 15 117.229 0.066 . 1 . . . . . 347 SER N . 51952 1 87 . 1 . 1 18 18 SER H H 1 8.371 0.004 . 1 . . . . . 348 SER H . 51952 1 88 . 1 . 1 18 18 SER HA H 1 4.426 0.032 . 1 . . . . . 348 SER HA . 51952 1 89 . 1 . 1 18 18 SER C C 13 174.652 0.2 . 1 . . . . . 348 SER C . 51952 1 90 . 1 . 1 18 18 SER CA C 13 59.044 0.067 . 1 . . . . . 348 SER CA . 51952 1 91 . 1 . 1 18 18 SER CB C 13 63.705 0.044 . 1 . . . . . 348 SER CB . 51952 1 92 . 1 . 1 18 18 SER N N 15 117.978 0.042 . 1 . . . . . 348 SER N . 51952 1 93 . 1 . 1 19 19 ALA H H 1 8.18 0.003 . 1 . . . . . 349 ALA H . 51952 1 94 . 1 . 1 19 19 ALA HA H 1 4.339 0.008 . 1 . . . . . 349 ALA HA . 51952 1 95 . 1 . 1 19 19 ALA C C 13 178.118 0.003 . 1 . . . . . 349 ALA C . 51952 1 96 . 1 . 1 19 19 ALA CA C 13 52.89 0.02 . 1 . . . . . 349 ALA CA . 51952 1 97 . 1 . 1 19 19 ALA CB C 13 19.118 0.009 . 1 . . . . . 349 ALA CB . 51952 1 98 . 1 . 1 19 19 ALA N N 15 125.517 0.051 . 1 . . . . . 349 ALA N . 51952 1 99 . 1 . 1 20 20 SER H H 1 8.25 0.003 . 1 . . . . . 350 SER H . 51952 1 100 . 1 . 1 20 20 SER HA H 1 4.422 0.017 . 1 . . . . . 350 SER HA . 51952 1 101 . 1 . 1 20 20 SER C C 13 175.274 0.006 . 1 . . . . . 350 SER C . 51952 1 102 . 1 . 1 20 20 SER CA C 13 58.656 0.078 . 1 . . . . . 350 SER CA . 51952 1 103 . 1 . 1 20 20 SER CB C 13 63.655 0.026 . 1 . . . . . 350 SER CB . 51952 1 104 . 1 . 1 20 20 SER N N 15 114.727 0.044 . 1 . . . . . 350 SER N . 51952 1 105 . 1 . 1 21 21 THR H H 1 8.142 0.002 . 1 . . . . . 351 THR H . 51952 1 106 . 1 . 1 21 21 THR HA H 1 4.378 0.02 . 1 . . . . . 351 THR HA . 51952 1 107 . 1 . 1 21 21 THR C C 13 174.981 0.019 . 1 . . . . . 351 THR C . 51952 1 108 . 1 . 1 21 21 THR CA C 13 62.061 0.064 . 1 . . . . . 351 THR CA . 51952 1 109 . 1 . 1 21 21 THR CB C 13 69.674 0.032 . 1 . . . . . 351 THR CB . 51952 1 110 . 1 . 1 21 21 THR N N 15 115.363 0.042 . 1 . . . . . 351 THR N . 51952 1 111 . 1 . 1 22 22 SER H H 1 8.304 0.006 . 1 . . . . . 352 SER H . 51952 1 112 . 1 . 1 22 22 SER HA H 1 4.325 0.02 . 1 . . . . . 352 SER HA . 51952 1 113 . 1 . 1 22 22 SER C C 13 174.796 0.043 . 1 . . . . . 352 SER C . 51952 1 114 . 1 . 1 22 22 SER CA C 13 58.609 0.175 . 1 . . . . . 352 SER CA . 51952 1 115 . 1 . 1 22 22 SER CB C 13 63.822 0.072 . 1 . . . . . 352 SER CB . 51952 1 116 . 1 . 1 22 22 SER N N 15 118.004 0.027 . 1 . . . . . 352 SER N . 51952 1 117 . 1 . 1 23 23 GLN H H 1 8.427 0.007 . 1 . . . . . 353 GLN H . 51952 1 118 . 1 . 1 23 23 GLN HA H 1 4.305 0.02 . 1 . . . . . 353 GLN HA . 51952 1 119 . 1 . 1 23 23 GLN C C 13 176.517 0.059 . 1 . . . . . 353 GLN C . 51952 1 120 . 1 . 1 23 23 GLN CA C 13 56.425 0.058 . 1 . . . . . 353 GLN CA . 51952 1 121 . 1 . 1 23 23 GLN CB C 13 29.301 0.064 . 1 . . . . . 353 GLN CB . 51952 1 122 . 1 . 1 23 23 GLN N N 15 122.158 0.02 . 1 . . . . . 353 GLN N . 51952 1 123 . 1 . 1 24 24 SER H H 1 8.345 0.003 . 1 . . . . . 354 SER H . 51952 1 124 . 1 . 1 24 24 SER HA H 1 4.452 0.02 . 1 . . . . . 354 SER HA . 51952 1 125 . 1 . 1 24 24 SER C C 13 174.957 0.186 . 1 . . . . . 354 SER C . 51952 1 126 . 1 . 1 24 24 SER CA C 13 58.752 0.056 . 1 . . . . . 354 SER CA . 51952 1 127 . 1 . 1 24 24 SER CB C 13 63.637 0.08 . 1 . . . . . 354 SER CB . 51952 1 128 . 1 . 1 24 24 SER N N 15 116.691 0.086 . 1 . . . . . 354 SER N . 51952 1 129 . 1 . 1 25 25 THR H H 1 8.166 0.005 . 1 . . . . . 355 THR H . 51952 1 130 . 1 . 1 25 25 THR HA H 1 4.231 0.054 . 1 . . . . . 355 THR HA . 51952 1 131 . 1 . 1 25 25 THR C C 13 174.81 0.002 . 1 . . . . . 355 THR C . 51952 1 132 . 1 . 1 25 25 THR CA C 13 62.374 0.06 . 1 . . . . . 355 THR CA . 51952 1 133 . 1 . 1 25 25 THR CB C 13 69.47 0.071 . 1 . . . . . 355 THR CB . 51952 1 134 . 1 . 1 25 25 THR N N 15 116.29 0.054 . 1 . . . . . 355 THR N . 51952 1 135 . 1 . 1 26 26 ARG H H 1 8.245 0.004 . 1 . . . . . 356 ARG H . 51952 1 136 . 1 . 1 26 26 ARG HA H 1 4.284 0.021 . 1 . . . . . 356 ARG HA . 51952 1 137 . 1 . 1 26 26 ARG C C 13 176.276 0.011 . 1 . . . . . 356 ARG C . 51952 1 138 . 1 . 1 26 26 ARG CA C 13 56.439 0.022 . 1 . . . . . 356 ARG CA . 51952 1 139 . 1 . 1 26 26 ARG CB C 13 30.759 0.032 . 1 . . . . . 356 ARG CB . 51952 1 140 . 1 . 1 26 26 ARG N N 15 123.55 0.056 . 1 . . . . . 356 ARG N . 51952 1 141 . 1 . 1 27 27 ALA H H 1 8.297 0.002 . 1 . . . . . 357 ALA H . 51952 1 142 . 1 . 1 27 27 ALA HA H 1 4.243 0.007 . 1 . . . . . 357 ALA HA . 51952 1 143 . 1 . 1 27 27 ALA C C 13 177.635 0.007 . 1 . . . . . 357 ALA C . 51952 1 144 . 1 . 1 27 27 ALA CA C 13 52.797 0.045 . 1 . . . . . 357 ALA CA . 51952 1 145 . 1 . 1 27 27 ALA CB C 13 19.047 0.045 . 1 . . . . . 357 ALA CB . 51952 1 146 . 1 . 1 27 27 ALA N N 15 125.267 0.057 . 1 . . . . . 357 ALA N . 51952 1 147 . 1 . 1 28 28 ALA H H 1 8.233 0.002 . 1 . . . . . 358 ALA H . 51952 1 148 . 1 . 1 28 28 ALA HA H 1 4.28 0.019 . 1 . . . . . 358 ALA HA . 51952 1 149 . 1 . 1 28 28 ALA C C 13 178.012 0.2 . 1 . . . . . 358 ALA C . 51952 1 150 . 1 . 1 28 28 ALA CA C 13 52.7 0.033 . 1 . . . . . 358 ALA CA . 51952 1 151 . 1 . 1 28 28 ALA CB C 13 19.16 0.033 . 1 . . . . . 358 ALA CB . 51952 1 152 . 1 . 1 28 28 ALA N N 15 122.965 0.055 . 1 . . . . . 358 ALA N . 51952 1 153 . 1 . 1 29 29 SER H H 1 8.205 0.003 . 1 . . . . . 359 SER H . 51952 1 154 . 1 . 1 29 29 SER HA H 1 4.383 0.004 . 1 . . . . . 359 SER HA . 51952 1 155 . 1 . 1 29 29 SER C C 13 174.716 0.016 . 1 . . . . . 359 SER C . 51952 1 156 . 1 . 1 29 29 SER CA C 13 58.368 0.055 . 1 . . . . . 359 SER CA . 51952 1 157 . 1 . 1 29 29 SER CB C 13 63.813 0.018 . 1 . . . . . 359 SER CB . 51952 1 158 . 1 . 1 29 29 SER N N 15 114.95 0.062 . 1 . . . . . 359 SER N . 51952 1 159 . 1 . 1 30 30 ILE H H 1 8.011 0.002 . 1 . . . . . 360 ILE H . 51952 1 160 . 1 . 1 30 30 ILE HA H 1 4.122 0.003 . 1 . . . . . 360 ILE HA . 51952 1 161 . 1 . 1 30 30 ILE C C 13 176.148 0.002 . 1 . . . . . 360 ILE C . 51952 1 162 . 1 . 1 30 30 ILE CA C 13 61.459 0.054 . 1 . . . . . 360 ILE CA . 51952 1 163 . 1 . 1 30 30 ILE CB C 13 38.609 0.065 . 1 . . . . . 360 ILE CB . 51952 1 164 . 1 . 1 30 30 ILE N N 15 121.983 0.067 . 1 . . . . . 360 ILE N . 51952 1 165 . 1 . 1 31 31 PHE H H 1 8.3 0.001 . 1 . . . . . 361 PHE H . 51952 1 166 . 1 . 1 31 31 PHE HA H 1 4.623 0.011 . 1 . . . . . 361 PHE HA . 51952 1 167 . 1 . 1 31 31 PHE C C 13 176.407 0.001 . 1 . . . . . 361 PHE C . 51952 1 168 . 1 . 1 31 31 PHE CA C 13 57.98 0.057 . 1 . . . . . 361 PHE CA . 51952 1 169 . 1 . 1 31 31 PHE CB C 13 39.414 0.012 . 1 . . . . . 361 PHE CB . 51952 1 170 . 1 . 1 31 31 PHE N N 15 123.789 0.055 . 1 . . . . . 361 PHE N . 51952 1 171 . 1 . 1 32 32 GLY H H 1 8.302 0.001 . 1 . . . . . 362 GLY H . 51952 1 172 . 1 . 1 32 32 GLY HA2 H 1 3.882 0.002 . 1 . . . . . 362 GLY QA . 51952 1 173 . 1 . 1 32 32 GLY HA3 H 1 3.882 0.002 . 1 . . . . . 362 GLY QA . 51952 1 174 . 1 . 1 32 32 GLY C C 13 174.51 0.001 . 1 . . . . . 362 GLY C . 51952 1 175 . 1 . 1 32 32 GLY CA C 13 45.445 0.012 . 1 . . . . . 362 GLY CA . 51952 1 176 . 1 . 1 32 32 GLY N N 15 111.417 0.078 . 1 . . . . . 362 GLY N . 51952 1 177 . 1 . 1 33 33 GLY H H 1 7.886 0.002 . 1 . . . . . 363 GLY H . 51952 1 178 . 1 . 1 33 33 GLY HA2 H 1 3.891 0.008 . 1 . . . . . 363 GLY QA . 51952 1 179 . 1 . 1 33 33 GLY HA3 H 1 3.891 0.008 . 1 . . . . . 363 GLY QA . 51952 1 180 . 1 . 1 33 33 GLY C C 13 173.591 0.004 . 1 . . . . . 363 GLY C . 51952 1 181 . 1 . 1 33 33 GLY CA C 13 45.014 0.036 . 1 . . . . . 363 GLY CA . 51952 1 182 . 1 . 1 33 33 GLY N N 15 108.493 0.076 . 1 . . . . . 363 GLY N . 51952 1 183 . 1 . 1 34 34 ALA H H 1 8.149 0.002 . 1 . . . . . 364 ALA H . 51952 1 184 . 1 . 1 34 34 ALA HA H 1 4.3 0.009 . 1 . . . . . 364 ALA HA . 51952 1 185 . 1 . 1 34 34 ALA C C 13 177.483 0.2 . 1 . . . . . 364 ALA C . 51952 1 186 . 1 . 1 34 34 ALA CA C 13 52.221 0.023 . 1 . . . . . 364 ALA CA . 51952 1 187 . 1 . 1 34 34 ALA CB C 13 19.389 0.007 . 1 . . . . . 364 ALA CB . 51952 1 188 . 1 . 1 34 34 ALA N N 15 123.689 0.047 . 1 . . . . . 364 ALA N . 51952 1 189 . 1 . 1 35 35 LYS H H 1 8.339 0.002 . 1 . . . . . 365 LYS H . 51952 1 190 . 1 . 1 35 35 LYS HA H 1 4.551 0.007 . 1 . . . . . 365 LYS HA . 51952 1 191 . 1 . 1 35 35 LYS C C 13 174.613 0.2 . 1 . . . . . 365 LYS C . 51952 1 192 . 1 . 1 35 35 LYS CA C 13 54.212 0.049 . 1 . . . . . 365 LYS CA . 51952 1 193 . 1 . 1 35 35 LYS CB C 13 32.669 0.2 . 1 . . . . . 365 LYS CB . 51952 1 194 . 1 . 1 35 35 LYS N N 15 122.427 0.058 . 1 . . . . . 365 LYS N . 51952 1 195 . 1 . 1 36 36 PRO HA H 1 4.417 0.004 . 1 . . . . . 366 PRO HA . 51952 1 196 . 1 . 1 36 36 PRO C C 13 176.995 0.2 . 1 . . . . . 366 PRO C . 51952 1 197 . 1 . 1 36 36 PRO CA C 13 63.065 0.038 . 1 . . . . . 366 PRO CA . 51952 1 198 . 1 . 1 36 36 PRO CB C 13 32.073 0.2 . 1 . . . . . 366 PRO CB . 51952 1 199 . 1 . 1 36 36 PRO N N 15 137.434 0.01 . 1 . . . . . 366 PRO N . 51952 1 200 . 1 . 1 37 37 VAL H H 1 8.278 0.002 . 1 . . . . . 367 VAL H . 51952 1 201 . 1 . 1 37 37 VAL HA H 1 4.025 0.003 . 1 . . . . . 367 VAL HA . 51952 1 202 . 1 . 1 37 37 VAL C C 13 176.02 0.013 . 1 . . . . . 367 VAL C . 51952 1 203 . 1 . 1 37 37 VAL CA C 13 62.634 0.144 . 1 . . . . . 367 VAL CA . 51952 1 204 . 1 . 1 37 37 VAL CB C 13 32.718 0.064 . 1 . . . . . 367 VAL CB . 51952 1 205 . 1 . 1 37 37 VAL N N 15 120.534 0.081 . 1 . . . . . 367 VAL N . 51952 1 206 . 1 . 1 38 38 ASP H H 1 8.421 0.002 . 1 . . . . . 368 ASP H . 51952 1 207 . 1 . 1 38 38 ASP HA H 1 4.697 0.009 . 1 . . . . . 368 ASP HA . 51952 1 208 . 1 . 1 38 38 ASP C C 13 176.767 0.007 . 1 . . . . . 368 ASP C . 51952 1 209 . 1 . 1 38 38 ASP CA C 13 53.995 0.029 . 1 . . . . . 368 ASP CA . 51952 1 210 . 1 . 1 38 38 ASP CB C 13 41.114 0.017 . 1 . . . . . 368 ASP CB . 51952 1 211 . 1 . 1 38 38 ASP N N 15 124.375 0.063 . 1 . . . . . 368 ASP N . 51952 1 212 . 1 . 1 39 39 THR H H 1 8.175 0.004 . 1 . . . . . 369 THR H . 51952 1 213 . 1 . 1 39 39 THR HA H 1 4.09 0.02 . 1 . . . . . 369 THR HA . 51952 1 214 . 1 . 1 39 39 THR C C 13 175.205 0.004 . 1 . . . . . 369 THR C . 51952 1 215 . 1 . 1 39 39 THR CA C 13 63.518 0.042 . 1 . . . . . 369 THR CA . 51952 1 216 . 1 . 1 39 39 THR CB C 13 69.171 0.087 . 1 . . . . . 369 THR CB . 51952 1 217 . 1 . 1 39 39 THR N N 15 116.309 0.042 . 1 . . . . . 369 THR N . 51952 1 218 . 1 . 1 40 40 ALA H H 1 8.291 0.002 . 1 . . . . . 370 ALA H . 51952 1 219 . 1 . 1 40 40 ALA HA H 1 4.25 0.015 . 1 . . . . . 370 ALA HA . 51952 1 220 . 1 . 1 40 40 ALA C C 13 178.806 0.002 . 1 . . . . . 370 ALA C . 51952 1 221 . 1 . 1 40 40 ALA CA C 13 53.737 0.096 . 1 . . . . . 370 ALA CA . 51952 1 222 . 1 . 1 40 40 ALA CB C 13 18.777 0.054 . 1 . . . . . 370 ALA CB . 51952 1 223 . 1 . 1 40 40 ALA N N 15 125.441 0.06 . 1 . . . . . 370 ALA N . 51952 1 224 . 1 . 1 41 41 ALA H H 1 8.053 0.003 . 1 . . . . . 371 ALA H . 51952 1 225 . 1 . 1 41 41 ALA HA H 1 4.15 0.017 . 1 . . . . . 371 ALA HA . 51952 1 226 . 1 . 1 41 41 ALA C C 13 179.154 0.2 . 1 . . . . . 371 ALA C . 51952 1 227 . 1 . 1 41 41 ALA CA C 13 53.794 0.065 . 1 . . . . . 371 ALA CA . 51952 1 228 . 1 . 1 41 41 ALA CB C 13 18.674 0.045 . 1 . . . . . 371 ALA CB . 51952 1 229 . 1 . 1 41 41 ALA N N 15 122.302 0.063 . 1 . . . . . 371 ALA N . 51952 1 230 . 1 . 1 42 42 ARG H H 1 8.114 0.003 . 1 . . . . . 372 ARG H . 51952 1 231 . 1 . 1 42 42 ARG HA H 1 4.213 0.005 . 1 . . . . . 372 ARG HA . 51952 1 232 . 1 . 1 42 42 ARG C C 13 177.724 0.011 . 1 . . . . . 372 ARG C . 51952 1 233 . 1 . 1 42 42 ARG CA C 13 57.523 0.045 . 1 . . . . . 372 ARG CA . 51952 1 234 . 1 . 1 42 42 ARG CB C 13 30.291 0.048 . 1 . . . . . 372 ARG CB . 51952 1 235 . 1 . 1 42 42 ARG N N 15 119.774 0.063 . 1 . . . . . 372 ARG N . 51952 1 236 . 1 . 1 43 43 GLU H H 1 8.333 0.003 . 1 . . . . . 373 GLU H . 51952 1 237 . 1 . 1 43 43 GLU HA H 1 4.164 0.02 . 1 . . . . . 373 GLU HA . 51952 1 238 . 1 . 1 43 43 GLU C C 13 178.096 0.024 . 1 . . . . . 373 GLU C . 51952 1 239 . 1 . 1 43 43 GLU CA C 13 58.294 0.095 . 1 . . . . . 373 GLU CA . 51952 1 240 . 1 . 1 43 43 GLU CB C 13 29.748 0.099 . 1 . . . . . 373 GLU CB . 51952 1 241 . 1 . 1 43 43 GLU N N 15 120.482 0.088 . 1 . . . . . 373 GLU N . 51952 1 242 . 1 . 1 44 44 ARG H H 1 8.153 0.006 . 1 . . . . . 374 ARG H . 51952 1 243 . 1 . 1 44 44 ARG HA H 1 4.214 0.03 . 1 . . . . . 374 ARG HA . 51952 1 244 . 1 . 1 44 44 ARG C C 13 177.51 0.024 . 1 . . . . . 374 ARG C . 51952 1 245 . 1 . 1 44 44 ARG CA C 13 57.903 0.12 . 1 . . . . . 374 ARG CA . 51952 1 246 . 1 . 1 44 44 ARG CB C 13 30.053 0.2 . 1 . . . . . 374 ARG CB . 51952 1 247 . 1 . 1 44 44 ARG N N 15 120.725 0.036 . 1 . . . . . 374 ARG N . 51952 1 248 . 1 . 1 45 45 GLU H H 1 8.161 0.003 . 1 . . . . . 375 GLU H . 51952 1 249 . 1 . 1 45 45 GLU HA H 1 4.164 0.02 . 1 . . . . . 375 GLU HA . 51952 1 250 . 1 . 1 45 45 GLU C C 13 178.343 0.011 . 1 . . . . . 375 GLU C . 51952 1 251 . 1 . 1 45 45 GLU CA C 13 58.461 0.129 . 1 . . . . . 375 GLU CA . 51952 1 252 . 1 . 1 45 45 GLU CB C 13 29.771 0.066 . 1 . . . . . 375 GLU CB . 51952 1 253 . 1 . 1 45 45 GLU N N 15 120.513 0.061 . 1 . . . . . 375 GLU N . 51952 1 254 . 1 . 1 46 46 VAL H H 1 7.92 0.004 . 1 . . . . . 376 VAL H . 51952 1 255 . 1 . 1 46 46 VAL HA H 1 3.75 0.003 . 1 . . . . . 376 VAL HA . 51952 1 256 . 1 . 1 46 46 VAL C C 13 177.457 0.003 . 1 . . . . . 376 VAL C . 51952 1 257 . 1 . 1 46 46 VAL CA C 13 65.157 0.053 . 1 . . . . . 376 VAL CA . 51952 1 258 . 1 . 1 46 46 VAL CB C 13 32.187 0.138 . 1 . . . . . 376 VAL CB . 51952 1 259 . 1 . 1 46 46 VAL N N 15 120.385 0.043 . 1 . . . . . 376 VAL N . 51952 1 260 . 1 . 1 47 47 GLU H H 1 8.114 0.003 . 1 . . . . . 377 GLU H . 51952 1 261 . 1 . 1 47 47 GLU HA H 1 4.089 0.021 . 1 . . . . . 377 GLU HA . 51952 1 262 . 1 . 1 47 47 GLU C C 13 178.478 0.009 . 1 . . . . . 377 GLU C . 51952 1 263 . 1 . 1 47 47 GLU CA C 13 58.616 0.033 . 1 . . . . . 377 GLU CA . 51952 1 264 . 1 . 1 47 47 GLU CB C 13 29.801 0.046 . 1 . . . . . 377 GLU CB . 51952 1 265 . 1 . 1 47 47 GLU N N 15 121.495 0.061 . 1 . . . . . 377 GLU N . 51952 1 266 . 1 . 1 48 48 GLU H H 1 8.431 0.002 . 1 . . . . . 378 GLU H . 51952 1 267 . 1 . 1 48 48 GLU HA H 1 4.111 0.022 . 1 . . . . . 378 GLU HA . 51952 1 268 . 1 . 1 48 48 GLU C C 13 178.228 0.024 . 1 . . . . . 378 GLU C . 51952 1 269 . 1 . 1 48 48 GLU CA C 13 58.667 0.026 . 1 . . . . . 378 GLU CA . 51952 1 270 . 1 . 1 48 48 GLU CB C 13 29.745 0.039 . 1 . . . . . 378 GLU CB . 51952 1 271 . 1 . 1 48 48 GLU N N 15 120.642 0.081 . 1 . . . . . 378 GLU N . 51952 1 272 . 1 . 1 49 49 ARG H H 1 8.078 0.003 . 1 . . . . . 379 ARG H . 51952 1 273 . 1 . 1 49 49 ARG HA H 1 4.11 0.02 . 1 . . . . . 379 ARG HA . 51952 1 274 . 1 . 1 49 49 ARG C C 13 178.267 0.014 . 1 . . . . . 379 ARG C . 51952 1 275 . 1 . 1 49 49 ARG CA C 13 58.619 0.058 . 1 . . . . . 379 ARG CA . 51952 1 276 . 1 . 1 49 49 ARG CB C 13 30.09 0.032 . 1 . . . . . 379 ARG CB . 51952 1 277 . 1 . 1 49 49 ARG N N 15 120.774 0.085 . 1 . . . . . 379 ARG N . 51952 1 278 . 1 . 1 50 50 LEU H H 1 8.166 0.003 . 1 . . . . . 380 LEU H . 51952 1 279 . 1 . 1 50 50 LEU HA H 1 4.184 0.013 . 1 . . . . . 380 LEU HA . 51952 1 280 . 1 . 1 50 50 LEU C C 13 179.147 0.003 . 1 . . . . . 380 LEU C . 51952 1 281 . 1 . 1 50 50 LEU CA C 13 57.094 0.05 . 1 . . . . . 380 LEU CA . 51952 1 282 . 1 . 1 50 50 LEU CB C 13 41.849 0.074 . 1 . . . . . 380 LEU CB . 51952 1 283 . 1 . 1 50 50 LEU N N 15 120.978 0.043 . 1 . . . . . 380 LEU N . 51952 1 284 . 1 . 1 51 51 GLN H H 1 8.169 0.003 . 1 . . . . . 381 GLN H . 51952 1 285 . 1 . 1 51 51 GLN HA H 1 4.157 0.02 . 1 . . . . . 381 GLN HA . 51952 1 286 . 1 . 1 51 51 GLN C C 13 177.982 0.018 . 1 . . . . . 381 GLN C . 51952 1 287 . 1 . 1 51 51 GLN CA C 13 58.037 0.029 . 1 . . . . . 381 GLN CA . 51952 1 288 . 1 . 1 51 51 GLN CB C 13 28.451 0.062 . 1 . . . . . 381 GLN CB . 51952 1 289 . 1 . 1 51 51 GLN N N 15 120.052 0.04 . 1 . . . . . 381 GLN N . 51952 1 290 . 1 . 1 52 52 LYS H H 1 8.116 0.003 . 1 . . . . . 382 LYS H . 51952 1 291 . 1 . 1 52 52 LYS HA H 1 4.162 0.009 . 1 . . . . . 382 LYS HA . 51952 1 292 . 1 . 1 52 52 LYS C C 13 178.834 0.015 . 1 . . . . . 382 LYS C . 51952 1 293 . 1 . 1 52 52 LYS CA C 13 58.207 0.007 . 1 . . . . . 382 LYS CA . 51952 1 294 . 1 . 1 52 52 LYS CB C 13 32.457 0.069 . 1 . . . . . 382 LYS CB . 51952 1 295 . 1 . 1 52 52 LYS N N 15 120.446 0.047 . 1 . . . . . 382 LYS N . 51952 1 296 . 1 . 1 53 53 GLU H H 1 8.218 0.002 . 1 . . . . . 383 GLU H . 51952 1 297 . 1 . 1 53 53 GLU HA H 1 4.136 0.008 . 1 . . . . . 383 GLU HA . 51952 1 298 . 1 . 1 53 53 GLU C C 13 178.334 0.009 . 1 . . . . . 383 GLU C . 51952 1 299 . 1 . 1 53 53 GLU CA C 13 58.387 0.029 . 1 . . . . . 383 GLU CA . 51952 1 300 . 1 . 1 53 53 GLU CB C 13 29.56 0.044 . 1 . . . . . 383 GLU CB . 51952 1 301 . 1 . 1 53 53 GLU N N 15 120.438 0.048 . 1 . . . . . 383 GLU N . 51952 1 302 . 1 . 1 54 54 GLN H H 1 8.178 0.002 . 1 . . . . . 384 GLN H . 51952 1 303 . 1 . 1 54 54 GLN HA H 1 4.137 0.007 . 1 . . . . . 384 GLN HA . 51952 1 304 . 1 . 1 54 54 GLN C C 13 177.774 0.015 . 1 . . . . . 384 GLN C . 51952 1 305 . 1 . 1 54 54 GLN CA C 13 57.773 0.066 . 1 . . . . . 384 GLN CA . 51952 1 306 . 1 . 1 54 54 GLN CB C 13 28.569 0.099 . 1 . . . . . 384 GLN CB . 51952 1 307 . 1 . 1 54 54 GLN N N 15 119.651 0.06 . 1 . . . . . 384 GLN N . 51952 1 308 . 1 . 1 55 55 GLU H H 1 8.181 0.004 . 1 . . . . . 385 GLU H . 51952 1 309 . 1 . 1 55 55 GLU HA H 1 4.107 0.017 . 1 . . . . . 385 GLU HA . 51952 1 310 . 1 . 1 55 55 GLU C C 13 177.882 0.015 . 1 . . . . . 385 GLU C . 51952 1 311 . 1 . 1 55 55 GLU CA C 13 58.341 0.05 . 1 . . . . . 385 GLU CA . 51952 1 312 . 1 . 1 55 55 GLU CB C 13 29.847 0.2 . 1 . . . . . 385 GLU CB . 51952 1 313 . 1 . 1 55 55 GLU N N 15 120.719 0.017 . 1 . . . . . 385 GLU N . 51952 1 314 . 1 . 1 56 56 LYS H H 1 7.896 0.003 . 1 . . . . . 386 LYS H . 51952 1 315 . 1 . 1 56 56 LYS HA H 1 4.111 0.006 . 1 . . . . . 386 LYS HA . 51952 1 316 . 1 . 1 56 56 LYS C C 13 177.867 0.2 . 1 . . . . . 386 LYS C . 51952 1 317 . 1 . 1 56 56 LYS CA C 13 58.12 0.034 . 1 . . . . . 386 LYS CA . 51952 1 318 . 1 . 1 56 56 LYS CB C 13 32.496 0.122 . 1 . . . . . 386 LYS CB . 51952 1 319 . 1 . 1 56 56 LYS N N 15 120.263 0.135 . 1 . . . . . 386 LYS N . 51952 1 320 . 1 . 1 57 57 LEU H H 1 7.895 0.006 . 1 . . . . . 387 LEU H . 51952 1 321 . 1 . 1 57 57 LEU HA H 1 4.195 0.011 . 1 . . . . . 387 LEU HA . 51952 1 322 . 1 . 1 57 57 LEU C C 13 178.284 0.2 . 1 . . . . . 387 LEU C . 51952 1 323 . 1 . 1 57 57 LEU CA C 13 56.378 0.029 . 1 . . . . . 387 LEU CA . 51952 1 324 . 1 . 1 57 57 LEU CB C 13 42.021 0.052 . 1 . . . . . 387 LEU CB . 51952 1 325 . 1 . 1 57 57 LEU N N 15 120.814 0.051 . 1 . . . . . 387 LEU N . 51952 1 326 . 1 . 1 58 58 GLN H H 1 8.13 0.004 . 1 . . . . . 388 GLN H . 51952 1 327 . 1 . 1 58 58 GLN HA H 1 4.15 0.014 . 1 . . . . . 388 GLN HA . 51952 1 328 . 1 . 1 58 58 GLN C C 13 176.766 0.01 . 1 . . . . . 388 GLN C . 51952 1 329 . 1 . 1 58 58 GLN CA C 13 56.772 0.055 . 1 . . . . . 388 GLN CA . 51952 1 330 . 1 . 1 58 58 GLN CB C 13 28.861 0.041 . 1 . . . . . 388 GLN CB . 51952 1 331 . 1 . 1 58 58 GLN N N 15 119.636 0.077 . 1 . . . . . 388 GLN N . 51952 1 332 . 1 . 1 59 59 ARG H H 1 8.081 0.003 . 1 . . . . . 389 ARG H . 51952 1 333 . 1 . 1 59 59 ARG HA H 1 4.215 0.004 . 1 . . . . . 389 ARG HA . 51952 1 334 . 1 . 1 59 59 ARG C C 13 176.942 0.029 . 1 . . . . . 389 ARG C . 51952 1 335 . 1 . 1 59 59 ARG CA C 13 57.034 0.044 . 1 . . . . . 389 ARG CA . 51952 1 336 . 1 . 1 59 59 ARG CB C 13 30.596 0.06 . 1 . . . . . 389 ARG CB . 51952 1 337 . 1 . 1 59 59 ARG N N 15 120.482 0.078 . 1 . . . . . 389 ARG N . 51952 1 338 . 1 . 1 60 60 GLN H H 1 8.189 0.006 . 1 . . . . . 390 GLN H . 51952 1 339 . 1 . 1 60 60 GLN HA H 1 4.229 0.01 . 1 . . . . . 390 GLN HA . 51952 1 340 . 1 . 1 60 60 GLN C C 13 176.543 0.012 . 1 . . . . . 390 GLN C . 51952 1 341 . 1 . 1 60 60 GLN CA C 13 56.507 0.064 . 1 . . . . . 390 GLN CA . 51952 1 342 . 1 . 1 60 60 GLN CB C 13 29.146 0.024 . 1 . . . . . 390 GLN CB . 51952 1 343 . 1 . 1 60 60 GLN N N 15 120.443 0.041 . 1 . . . . . 390 GLN N . 51952 1 344 . 1 . 1 61 61 LEU H H 1 8.138 0.003 . 1 . . . . . 391 LEU H . 51952 1 345 . 1 . 1 61 61 LEU HA H 1 4.271 0.04 . 1 . . . . . 391 LEU HA . 51952 1 346 . 1 . 1 61 61 LEU C C 13 177.344 0.012 . 1 . . . . . 391 LEU C . 51952 1 347 . 1 . 1 61 61 LEU CA C 13 55.65 0.099 . 1 . . . . . 391 LEU CA . 51952 1 348 . 1 . 1 61 61 LEU CB C 13 42.295 0.092 . 1 . . . . . 391 LEU CB . 51952 1 349 . 1 . 1 61 61 LEU N N 15 122.374 0.066 . 1 . . . . . 391 LEU N . 51952 1 350 . 1 . 1 62 62 ASP H H 1 8.165 0.003 . 1 . . . . . 392 ASP H . 51952 1 351 . 1 . 1 62 62 ASP HA H 1 4.578 0.008 . 1 . . . . . 392 ASP HA . 51952 1 352 . 1 . 1 62 62 ASP C C 13 175.894 0.009 . 1 . . . . . 392 ASP C . 51952 1 353 . 1 . 1 62 62 ASP CA C 13 54.24 0.196 . 1 . . . . . 392 ASP CA . 51952 1 354 . 1 . 1 62 62 ASP CB C 13 41.178 0.024 . 1 . . . . . 392 ASP CB . 51952 1 355 . 1 . 1 62 62 ASP N N 15 120.333 0.029 . 1 . . . . . 392 ASP N . 51952 1 356 . 1 . 1 63 63 GLU H H 1 8.056 0.003 . 1 . . . . . 393 GLU H . 51952 1 357 . 1 . 1 63 63 GLU HA H 1 4.522 0.003 . 1 . . . . . 393 GLU HA . 51952 1 358 . 1 . 1 63 63 GLU C C 13 174.419 0.2 . 1 . . . . . 393 GLU C . 51952 1 359 . 1 . 1 63 63 GLU CA C 13 54.746 0.046 . 1 . . . . . 393 GLU CA . 51952 1 360 . 1 . 1 63 63 GLU CB C 13 29.806 0.2 . 1 . . . . . 393 GLU CB . 51952 1 361 . 1 . 1 63 63 GLU N N 15 122.279 0.074 . 1 . . . . . 393 GLU N . 51952 1 362 . 1 . 1 64 64 PRO HA H 1 4.378 0.02 . 1 . . . . . 394 PRO HA . 51952 1 363 . 1 . 1 64 64 PRO C C 13 176.913 0.2 . 1 . . . . . 394 PRO C . 51952 1 364 . 1 . 1 64 64 PRO CA C 13 63.286 0.064 . 1 . . . . . 394 PRO CA . 51952 1 365 . 1 . 1 64 64 PRO CB C 13 32.113 0.2 . 1 . . . . . 394 PRO CB . 51952 1 366 . 1 . 1 64 64 PRO N N 15 137.405 0.157 . 1 . . . . . 394 PRO N . 51952 1 367 . 1 . 1 65 65 LYS H H 1 8.437 0.003 . 1 . . . . . 395 LYS H . 51952 1 368 . 1 . 1 65 65 LYS HA H 1 4.301 0.01 . 1 . . . . . 395 LYS HA . 51952 1 369 . 1 . 1 65 65 LYS C C 13 176.579 0.01 . 1 . . . . . 395 LYS C . 51952 1 370 . 1 . 1 65 65 LYS CA C 13 56.215 0.092 . 1 . . . . . 395 LYS CA . 51952 1 371 . 1 . 1 65 65 LYS CB C 13 32.679 0.069 . 1 . . . . . 395 LYS CB . 51952 1 372 . 1 . 1 65 65 LYS N N 15 121.561 0.09 . 1 . . . . . 395 LYS N . 51952 1 373 . 1 . 1 66 66 LEU H H 1 8.227 0.002 . 1 . . . . . 396 LEU H . 51952 1 374 . 1 . 1 66 66 LEU HA H 1 4.338 0.02 . 1 . . . . . 396 LEU HA . 51952 1 375 . 1 . 1 66 66 LEU C C 13 177.215 0.011 . 1 . . . . . 396 LEU C . 51952 1 376 . 1 . 1 66 66 LEU CA C 13 55.157 0.053 . 1 . . . . . 396 LEU CA . 51952 1 377 . 1 . 1 66 66 LEU CB C 13 42.394 0.027 . 1 . . . . . 396 LEU CB . 51952 1 378 . 1 . 1 66 66 LEU N N 15 123.627 0.031 . 1 . . . . . 396 LEU N . 51952 1 379 . 1 . 1 67 67 GLU H H 1 8.428 0.003 . 1 . . . . . 397 GLU H . 51952 1 380 . 1 . 1 67 67 GLU HA H 1 4.241 0.01 . 1 . . . . . 397 GLU HA . 51952 1 381 . 1 . 1 67 67 GLU C C 13 176.204 0.016 . 1 . . . . . 397 GLU C . 51952 1 382 . 1 . 1 67 67 GLU CA C 13 56.376 0.032 . 1 . . . . . 397 GLU CA . 51952 1 383 . 1 . 1 67 67 GLU CB C 13 30.332 0.003 . 1 . . . . . 397 GLU CB . 51952 1 384 . 1 . 1 67 67 GLU N N 15 122.326 0.046 . 1 . . . . . 397 GLU N . 51952 1 385 . 1 . 1 68 68 ARG H H 1 8.372 0.003 . 1 . . . . . 398 ARG H . 51952 1 386 . 1 . 1 68 68 ARG HA H 1 4.298 0.006 . 1 . . . . . 398 ARG HA . 51952 1 387 . 1 . 1 68 68 ARG C C 13 176.026 0.065 . 1 . . . . . 398 ARG C . 51952 1 388 . 1 . 1 68 68 ARG CA C 13 55.941 0.125 . 1 . . . . . 398 ARG CA . 51952 1 389 . 1 . 1 68 68 ARG CB C 13 30.806 0.056 . 1 . . . . . 398 ARG CB . 51952 1 390 . 1 . 1 68 68 ARG N N 15 122.746 0.046 . 1 . . . . . 398 ARG N . 51952 1 391 . 1 . 1 69 69 ARG H H 1 8.418 0.003 . 1 . . . . . 399 ARG H . 51952 1 392 . 1 . 1 69 69 ARG HA H 1 4.557 0.022 . 1 . . . . . 399 ARG HA . 51952 1 393 . 1 . 1 69 69 ARG C C 13 174.155 0.2 . 1 . . . . . 399 ARG C . 51952 1 394 . 1 . 1 69 69 ARG CA C 13 54.042 0.036 . 1 . . . . . 399 ARG CA . 51952 1 395 . 1 . 1 69 69 ARG CB C 13 30.172 0.2 . 1 . . . . . 399 ARG CB . 51952 1 396 . 1 . 1 69 69 ARG N N 15 123.646 0.08 . 1 . . . . . 399 ARG N . 51952 1 397 . 1 . 1 70 70 PRO HA H 1 4.386 0.003 . 1 . . . . . 400 PRO HA . 51952 1 398 . 1 . 1 70 70 PRO C C 13 176.9 0.2 . 1 . . . . . 400 PRO C . 51952 1 399 . 1 . 1 70 70 PRO CA C 13 63.181 0.05 . 1 . . . . . 400 PRO CA . 51952 1 400 . 1 . 1 70 70 PRO CB C 13 32.203 0.047 . 1 . . . . . 400 PRO CB . 51952 1 401 . 1 . 1 70 70 PRO N N 15 137.315 0.005 . 1 . . . . . 400 PRO N . 51952 1 402 . 1 . 1 71 71 ARG H H 1 8.466 0.004 . 1 . . . . . 401 ARG H . 51952 1 403 . 1 . 1 71 71 ARG HA H 1 4.197 0.006 . 1 . . . . . 401 ARG HA . 51952 1 404 . 1 . 1 71 71 ARG C C 13 176.416 0.005 . 1 . . . . . 401 ARG C . 51952 1 405 . 1 . 1 71 71 ARG CA C 13 56.371 0.037 . 1 . . . . . 401 ARG CA . 51952 1 406 . 1 . 1 71 71 ARG CB C 13 30.713 0.038 . 1 . . . . . 401 ARG CB . 51952 1 407 . 1 . 1 71 71 ARG N N 15 121.42 0.05 . 1 . . . . . 401 ARG N . 51952 1 408 . 1 . 1 72 72 GLU H H 1 8.388 0.003 . 1 . . . . . 402 GLU H . 51952 1 409 . 1 . 1 72 72 GLU HA H 1 4.164 0.02 . 1 . . . . . 402 GLU HA . 51952 1 410 . 1 . 1 72 72 GLU C C 13 176.14 0.2 . 1 . . . . . 402 GLU C . 51952 1 411 . 1 . 1 72 72 GLU CA C 13 56.393 0.053 . 1 . . . . . 402 GLU CA . 51952 1 412 . 1 . 1 72 72 GLU CB C 13 30.355 0.042 . 1 . . . . . 402 GLU CB . 51952 1 413 . 1 . 1 72 72 GLU N N 15 122.049 0.039 . 1 . . . . . 402 GLU N . 51952 1 414 . 1 . 1 73 73 ARG H H 1 8.317 0.002 . 1 . . . . . 403 ARG H . 51952 1 415 . 1 . 1 73 73 ARG HA H 1 4.264 0.02 . 1 . . . . . 403 ARG HA . 51952 1 416 . 1 . 1 73 73 ARG C C 13 175.662 0.2 . 1 . . . . . 403 ARG C . 51952 1 417 . 1 . 1 73 73 ARG CA C 13 56.092 0.186 . 1 . . . . . 403 ARG CA . 51952 1 418 . 1 . 1 73 73 ARG CB C 13 30.792 0.049 . 1 . . . . . 403 ARG CB . 51952 1 419 . 1 . 1 73 73 ARG N N 15 122.165 0.079 . 1 . . . . . 403 ARG N . 51952 1 420 . 1 . 1 74 74 HIS H H 1 8.284 0.005 . 1 . . . . . 404 HIS H . 51952 1 421 . 1 . 1 74 74 HIS HA H 1 4.771 0.001 . 1 . . . . . 404 HIS HA . 51952 1 422 . 1 . 1 74 74 HIS C C 13 173.954 0.2 . 1 . . . . . 404 HIS C . 51952 1 423 . 1 . 1 74 74 HIS CA C 13 53.659 0.058 . 1 . . . . . 404 HIS CA . 51952 1 424 . 1 . 1 74 74 HIS N N 15 122.71 0.164 . 1 . . . . . 404 HIS N . 51952 1 425 . 1 . 1 75 75 PRO HA H 1 4.36 0.004 . 1 . . . . . 405 PRO HA . 51952 1 426 . 1 . 1 75 75 PRO C C 13 177.266 0.2 . 1 . . . . . 405 PRO C . 51952 1 427 . 1 . 1 75 75 PRO CA C 13 63.869 0.056 . 1 . . . . . 405 PRO CA . 51952 1 428 . 1 . 1 75 75 PRO CB C 13 32.02 0.2 . 1 . . . . . 405 PRO CB . 51952 1 429 . 1 . 1 75 75 PRO N N 15 137.857 0.154 . 1 . . . . . 405 PRO N . 51952 1 430 . 1 . 1 76 76 SER H H 1 8.882 0.002 . 1 . . . . . 406 SER H . 51952 1 431 . 1 . 1 76 76 SER HA H 1 4.401 0.005 . 1 . . . . . 406 SER HA . 51952 1 432 . 1 . 1 76 76 SER C C 13 174.677 0.2 . 1 . . . . . 406 SER C . 51952 1 433 . 1 . 1 76 76 SER CA C 13 58.769 0.038 . 1 . . . . . 406 SER CA . 51952 1 434 . 1 . 1 76 76 SER CB C 13 63.52 0.044 . 1 . . . . . 406 SER CB . 51952 1 435 . 1 . 1 76 76 SER N N 15 115.972 0.043 . 1 . . . . . 406 SER N . 51952 1 436 . 1 . 1 77 77 TRP H H 1 8.041 0.001 . 1 . . . . . 407 TRP H . 51952 1 437 . 1 . 1 77 77 TRP HA H 1 4.569 0.003 . 1 . . . . . 407 TRP HA . 51952 1 438 . 1 . 1 77 77 TRP C C 13 176.15 0.001 . 1 . . . . . 407 TRP C . 51952 1 439 . 1 . 1 77 77 TRP CA C 13 57.86 0.048 . 1 . . . . . 407 TRP CA . 51952 1 440 . 1 . 1 77 77 TRP CB C 13 29.29 0.102 . 1 . . . . . 407 TRP CB . 51952 1 441 . 1 . 1 77 77 TRP N N 15 123.031 0.066 . 1 . . . . . 407 TRP N . 51952 1 442 . 1 . 1 78 78 ARG H H 1 7.843 0.002 . 1 . . . . . 408 ARG H . 51952 1 443 . 1 . 1 78 78 ARG HA H 1 4.151 0.006 . 1 . . . . . 408 ARG HA . 51952 1 444 . 1 . 1 78 78 ARG C C 13 175.852 0.002 . 1 . . . . . 408 ARG C . 51952 1 445 . 1 . 1 78 78 ARG CA C 13 55.942 0.069 . 1 . . . . . 408 ARG CA . 51952 1 446 . 1 . 1 78 78 ARG CB C 13 30.991 0.026 . 1 . . . . . 408 ARG CB . 51952 1 447 . 1 . 1 78 78 ARG N N 15 123.033 0.073 . 1 . . . . . 408 ARG N . 51952 1 448 . 1 . 1 79 79 SER H H 1 8.168 0.002 . 1 . . . . . 409 SER H . 51952 1 449 . 1 . 1 79 79 SER HA H 1 4.216 0.005 . 1 . . . . . 409 SER HA . 51952 1 450 . 1 . 1 79 79 SER C C 13 174.952 0.011 . 1 . . . . . 409 SER C . 51952 1 451 . 1 . 1 79 79 SER CA C 13 58.67 0.051 . 1 . . . . . 409 SER CA . 51952 1 452 . 1 . 1 79 79 SER CB C 13 63.687 0.016 . 1 . . . . . 409 SER CB . 51952 1 453 . 1 . 1 79 79 SER N N 15 117.047 0.076 . 1 . . . . . 409 SER N . 51952 1 454 . 1 . 1 80 80 GLU H H 1 8.587 0.002 . 1 . . . . . 410 GLU H . 51952 1 455 . 1 . 1 80 80 GLU HA H 1 4.228 0.002 . 1 . . . . . 410 GLU HA . 51952 1 456 . 1 . 1 80 80 GLU C C 13 176.935 0.032 . 1 . . . . . 410 GLU C . 51952 1 457 . 1 . 1 80 80 GLU CA C 13 57.28 0.044 . 1 . . . . . 410 GLU CA . 51952 1 458 . 1 . 1 80 80 GLU CB C 13 30.05 0.145 . 1 . . . . . 410 GLU CB . 51952 1 459 . 1 . 1 80 80 GLU N N 15 122.675 0.071 . 1 . . . . . 410 GLU N . 51952 1 460 . 1 . 1 81 81 GLU H H 1 8.374 0.002 . 1 . . . . . 411 GLU H . 51952 1 461 . 1 . 1 81 81 GLU HA H 1 4.272 0.013 . 1 . . . . . 411 GLU HA . 51952 1 462 . 1 . 1 81 81 GLU C C 13 177.156 0.024 . 1 . . . . . 411 GLU C . 51952 1 463 . 1 . 1 81 81 GLU CA C 13 57.201 0.03 . 1 . . . . . 411 GLU CA . 51952 1 464 . 1 . 1 81 81 GLU CB C 13 30.03 0.033 . 1 . . . . . 411 GLU CB . 51952 1 465 . 1 . 1 81 81 GLU N N 15 121.179 0.068 . 1 . . . . . 411 GLU N . 51952 1 466 . 1 . 1 82 82 THR H H 1 8.11 0.002 . 1 . . . . . 412 THR H . 51952 1 467 . 1 . 1 82 82 THR HA H 1 4.215 0.006 . 1 . . . . . 412 THR HA . 51952 1 468 . 1 . 1 82 82 THR C C 13 174.984 0.015 . 1 . . . . . 412 THR C . 51952 1 469 . 1 . 1 82 82 THR CA C 13 62.879 0.042 . 1 . . . . . 412 THR CA . 51952 1 470 . 1 . 1 82 82 THR CB C 13 69.469 0.007 . 1 . . . . . 412 THR CB . 51952 1 471 . 1 . 1 82 82 THR N N 15 115.28 0.044 . 1 . . . . . 412 THR N . 51952 1 472 . 1 . 1 83 83 GLN H H 1 8.354 0.003 . 1 . . . . . 413 GLN H . 51952 1 473 . 1 . 1 83 83 GLN HA H 1 4.237 0.007 . 1 . . . . . 413 GLN HA . 51952 1 474 . 1 . 1 83 83 GLN C C 13 176.587 0.009 . 1 . . . . . 413 GLN C . 51952 1 475 . 1 . 1 83 83 GLN CA C 13 56.562 0.071 . 1 . . . . . 413 GLN CA . 51952 1 476 . 1 . 1 83 83 GLN CB C 13 29.203 0.2 . 1 . . . . . 413 GLN CB . 51952 1 477 . 1 . 1 83 83 GLN N N 15 122.164 0.051 . 1 . . . . . 413 GLN N . 51952 1 478 . 1 . 1 84 84 GLU H H 1 8.404 0.005 . 1 . . . . . 414 GLU H . 51952 1 479 . 1 . 1 84 84 GLU HA H 1 4.185 0.009 . 1 . . . . . 414 GLU HA . 51952 1 480 . 1 . 1 84 84 GLU C C 13 177.163 0.008 . 1 . . . . . 414 GLU C . 51952 1 481 . 1 . 1 84 84 GLU CA C 13 57.307 0.1 . 1 . . . . . 414 GLU CA . 51952 1 482 . 1 . 1 84 84 GLU CB C 13 29.795 0.086 . 1 . . . . . 414 GLU CB . 51952 1 483 . 1 . 1 84 84 GLU N N 15 121.806 0.033 . 1 . . . . . 414 GLU N . 51952 1 484 . 1 . 1 85 85 ARG H H 1 8.26 0.005 . 1 . . . . . 415 ARG H . 51952 1 485 . 1 . 1 85 85 ARG HA H 1 4.235 0.003 . 1 . . . . . 415 ARG HA . 51952 1 486 . 1 . 1 85 85 ARG C C 13 177.046 0.001 . 1 . . . . . 415 ARG C . 51952 1 487 . 1 . 1 85 85 ARG CA C 13 56.933 0.055 . 1 . . . . . 415 ARG CA . 51952 1 488 . 1 . 1 85 85 ARG CB C 13 30.571 0.104 . 1 . . . . . 415 ARG CB . 51952 1 489 . 1 . 1 85 85 ARG N N 15 121.544 0.083 . 1 . . . . . 415 ARG N . 51952 1 490 . 1 . 1 86 86 GLU H H 1 8.339 0.002 . 1 . . . . . 416 GLU H . 51952 1 491 . 1 . 1 86 86 GLU HA H 1 4.204 0.014 . 1 . . . . . 416 GLU HA . 51952 1 492 . 1 . 1 86 86 GLU C C 13 177.05 0.024 . 1 . . . . . 416 GLU C . 51952 1 493 . 1 . 1 86 86 GLU CA C 13 57.105 0.057 . 1 . . . . . 416 GLU CA . 51952 1 494 . 1 . 1 86 86 GLU CB C 13 30.021 0.1 . 1 . . . . . 416 GLU CB . 51952 1 495 . 1 . 1 86 86 GLU N N 15 121.013 0.048 . 1 . . . . . 416 GLU N . 51952 1 496 . 1 . 1 87 87 ARG H H 1 8.25 0.004 . 1 . . . . . 417 ARG H . 51952 1 497 . 1 . 1 87 87 ARG HA H 1 4.286 0.007 . 1 . . . . . 417 ARG HA . 51952 1 498 . 1 . 1 87 87 ARG C C 13 176.774 0.023 . 1 . . . . . 417 ARG C . 51952 1 499 . 1 . 1 87 87 ARG CA C 13 56.807 0.061 . 1 . . . . . 417 ARG CA . 51952 1 500 . 1 . 1 87 87 ARG CB C 13 30.657 0.193 . 1 . . . . . 417 ARG CB . 51952 1 501 . 1 . 1 87 87 ARG N N 15 121.639 0.03 . 1 . . . . . 417 ARG N . 51952 1 502 . 1 . 1 88 88 SER H H 1 8.287 0.003 . 1 . . . . . 418 SER H . 51952 1 503 . 1 . 1 88 88 SER HA H 1 4.393 0.011 . 1 . . . . . 418 SER HA . 51952 1 504 . 1 . 1 88 88 SER C C 13 174.799 0.026 . 1 . . . . . 418 SER C . 51952 1 505 . 1 . 1 88 88 SER CA C 13 58.773 0.053 . 1 . . . . . 418 SER CA . 51952 1 506 . 1 . 1 88 88 SER CB C 13 63.702 0.06 . 1 . . . . . 418 SER CB . 51952 1 507 . 1 . 1 88 88 SER N N 15 116.434 0.057 . 1 . . . . . 418 SER N . 51952 1 508 . 1 . 1 89 89 ARG H H 1 8.354 0.002 . 1 . . . . . 419 ARG H . 51952 1 509 . 1 . 1 89 89 ARG HA H 1 4.406 0.005 . 1 . . . . . 419 ARG HA . 51952 1 510 . 1 . 1 89 89 ARG C C 13 176.711 0.042 . 1 . . . . . 419 ARG C . 51952 1 511 . 1 . 1 89 89 ARG CA C 13 56.469 0.088 . 1 . . . . . 419 ARG CA . 51952 1 512 . 1 . 1 89 89 ARG CB C 13 30.744 0.056 . 1 . . . . . 419 ARG CB . 51952 1 513 . 1 . 1 89 89 ARG N N 15 123.146 0.074 . 1 . . . . . 419 ARG N . 51952 1 514 . 1 . 1 90 90 THR H H 1 8.278 0.002 . 1 . . . . . 420 THR H . 51952 1 515 . 1 . 1 90 90 THR HA H 1 4.343 0.01 . 1 . . . . . 420 THR HA . 51952 1 516 . 1 . 1 90 90 THR C C 13 175.31 0.016 . 1 . . . . . 420 THR C . 51952 1 517 . 1 . 1 90 90 THR CA C 13 62.195 0.058 . 1 . . . . . 420 THR CA . 51952 1 518 . 1 . 1 90 90 THR CB C 13 69.868 0.042 . 1 . . . . . 420 THR CB . 51952 1 519 . 1 . 1 90 90 THR N N 15 114.601 0.059 . 1 . . . . . 420 THR N . 51952 1 520 . 1 . 1 91 91 GLY H H 1 8.496 0.003 . 1 . . . . . 421 GLY H . 51952 1 521 . 1 . 1 91 91 GLY HA2 H 1 4.054 0.004 . 1 . . . . . 421 GLY QA . 51952 1 522 . 1 . 1 91 91 GLY HA3 H 1 4.054 0.004 . 1 . . . . . 421 GLY QA . 51952 1 523 . 1 . 1 91 91 GLY C C 13 174.434 0.004 . 1 . . . . . 421 GLY C . 51952 1 524 . 1 . 1 91 91 GLY CA C 13 45.445 0.031 . 1 . . . . . 421 GLY CA . 51952 1 525 . 1 . 1 91 91 GLY N N 15 111.632 0.057 . 1 . . . . . 421 GLY N . 51952 1 526 . 1 . 1 92 92 SER H H 1 8.278 0.003 . 1 . . . . . 422 SER H . 51952 1 527 . 1 . 1 92 92 SER HA H 1 4.46 0.006 . 1 . . . . . 422 SER HA . 51952 1 528 . 1 . 1 92 92 SER C C 13 174.87 0.2 . 1 . . . . . 422 SER C . 51952 1 529 . 1 . 1 92 92 SER CA C 13 58.468 0.064 . 1 . . . . . 422 SER CA . 51952 1 530 . 1 . 1 92 92 SER CB C 13 63.889 0.073 . 1 . . . . . 422 SER CB . 51952 1 531 . 1 . 1 92 92 SER N N 15 115.869 0.04 . 1 . . . . . 422 SER N . 51952 1 532 . 1 . 1 93 93 GLU H H 1 8.648 0.002 . 1 . . . . . 423 GLU H . 51952 1 533 . 1 . 1 93 93 GLU HA H 1 4.306 0.003 . 1 . . . . . 423 GLU HA . 51952 1 534 . 1 . 1 93 93 GLU C C 13 176.843 0.006 . 1 . . . . . 423 GLU C . 51952 1 535 . 1 . 1 93 93 GLU CA C 13 57.071 0.075 . 1 . . . . . 423 GLU CA . 51952 1 536 . 1 . 1 93 93 GLU CB C 13 29.782 0.134 . 1 . . . . . 423 GLU CB . 51952 1 537 . 1 . 1 93 93 GLU N N 15 122.905 0.05 . 1 . . . . . 423 GLU N . 51952 1 538 . 1 . 1 94 94 SER H H 1 8.352 0.003 . 1 . . . . . 424 SER H . 51952 1 539 . 1 . 1 94 94 SER HA H 1 4.425 0.02 . 1 . . . . . 424 SER HA . 51952 1 540 . 1 . 1 94 94 SER C C 13 174.769 0.012 . 1 . . . . . 424 SER C . 51952 1 541 . 1 . 1 94 94 SER CA C 13 58.576 0.091 . 1 . . . . . 424 SER CA . 51952 1 542 . 1 . 1 94 94 SER CB C 13 63.689 0.2 . 1 . . . . . 424 SER CB . 51952 1 543 . 1 . 1 94 94 SER N N 15 116.528 0.048 . 1 . . . . . 424 SER N . 51952 1 544 . 1 . 1 95 95 SER H H 1 8.331 0.005 . 1 . . . . . 425 SER H . 51952 1 545 . 1 . 1 95 95 SER HA H 1 4.441 0.003 . 1 . . . . . 425 SER HA . 51952 1 546 . 1 . 1 95 95 SER C C 13 174.671 0.2 . 1 . . . . . 425 SER C . 51952 1 547 . 1 . 1 95 95 SER CA C 13 58.656 0.061 . 1 . . . . . 425 SER CA . 51952 1 548 . 1 . 1 95 95 SER CB C 13 63.786 0.2 . 1 . . . . . 425 SER CB . 51952 1 549 . 1 . 1 95 95 SER N N 15 117.843 0.032 . 1 . . . . . 425 SER N . 51952 1 550 . 1 . 1 96 96 GLN H H 1 8.434 0.008 . 1 . . . . . 426 GLN H . 51952 1 551 . 1 . 1 96 96 GLN HA H 1 4.417 0.007 . 1 . . . . . 426 GLN HA . 51952 1 552 . 1 . 1 96 96 GLN C C 13 176.301 0.2 . 1 . . . . . 426 GLN C . 51952 1 553 . 1 . 1 96 96 GLN CA C 13 55.965 0.081 . 1 . . . . . 426 GLN CA . 51952 1 554 . 1 . 1 96 96 GLN CB C 13 29.405 0.028 . 1 . . . . . 426 GLN CB . 51952 1 555 . 1 . 1 96 96 GLN N N 15 122.153 0.033 . 1 . . . . . 426 GLN N . 51952 1 556 . 1 . 1 97 97 THR H H 1 8.2 0.003 . 1 . . . . . 427 THR H . 51952 1 557 . 1 . 1 97 97 THR HA H 1 4.358 0.021 . 1 . . . . . 427 THR HA . 51952 1 558 . 1 . 1 97 97 THR C C 13 175.211 0.008 . 1 . . . . . 427 THR C . 51952 1 559 . 1 . 1 97 97 THR CA C 13 62.092 0.025 . 1 . . . . . 427 THR CA . 51952 1 560 . 1 . 1 97 97 THR CB C 13 69.78 0.064 . 1 . . . . . 427 THR CB . 51952 1 561 . 1 . 1 97 97 THR N N 15 114.705 0.09 . 1 . . . . . 427 THR N . 51952 1 562 . 1 . 1 98 98 GLY H H 1 8.448 0.003 . 1 . . . . . 428 GLY H . 51952 1 563 . 1 . 1 98 98 GLY HA2 H 1 4.033 0.004 . 1 . . . . . 428 GLY QA . 51952 1 564 . 1 . 1 98 98 GLY HA3 H 1 4.033 0.004 . 1 . . . . . 428 GLY QA . 51952 1 565 . 1 . 1 98 98 GLY C C 13 174.381 0.012 . 1 . . . . . 428 GLY C . 51952 1 566 . 1 . 1 98 98 GLY CA C 13 45.453 0.036 . 1 . . . . . 428 GLY CA . 51952 1 567 . 1 . 1 98 98 GLY N N 15 111.441 0.045 . 1 . . . . . 428 GLY N . 51952 1 568 . 1 . 1 99 99 THR H H 1 8.124 0.002 . 1 . . . . . 429 THR H . 51952 1 569 . 1 . 1 99 99 THR HA H 1 4.399 0.02 . 1 . . . . . 429 THR HA . 51952 1 570 . 1 . 1 99 99 THR C C 13 174.792 0.2 . 1 . . . . . 429 THR C . 51952 1 571 . 1 . 1 99 99 THR CA C 13 61.79 0.05 . 1 . . . . . 429 THR CA . 51952 1 572 . 1 . 1 99 99 THR CB C 13 69.971 0.2 . 1 . . . . . 429 THR CB . 51952 1 573 . 1 . 1 99 99 THR N N 15 113.532 0.051 . 1 . . . . . 429 THR N . 51952 1 574 . 1 . 1 100 100 SER N N 15 118.29 0.091 . 1 . . . . . 430 SER N . 51952 1 575 . 1 . 1 101 101 THR HA H 1 4.446 0.02 . 1 . . . . . 431 THR HA . 51952 1 576 . 1 . 1 101 101 THR C C 13 175.063 0.2 . 1 . . . . . 431 THR C . 51952 1 577 . 1 . 1 101 101 THR CA C 13 61.851 0.059 . 1 . . . . . 431 THR CA . 51952 1 578 . 1 . 1 101 101 THR CB C 13 69.733 0.2 . 1 . . . . . 431 THR CB . 51952 1 579 . 1 . 1 102 102 THR H H 1 8.21 0.002 . 1 . . . . . 432 THR H . 51952 1 580 . 1 . 1 102 102 THR HA H 1 4.395 0.002 . 1 . . . . . 432 THR HA . 51952 1 581 . 1 . 1 102 102 THR C C 13 174.788 0.2 . 1 . . . . . 432 THR C . 51952 1 582 . 1 . 1 102 102 THR CA C 13 62.002 0.189 . 1 . . . . . 432 THR CA . 51952 1 583 . 1 . 1 102 102 THR CB C 13 69.883 0.108 . 1 . . . . . 432 THR CB . 51952 1 584 . 1 . 1 102 102 THR N N 15 116.118 0.034 . 1 . . . . . 432 THR N . 51952 1 585 . 1 . 1 103 103 SER H H 1 8.454 0.003 . 1 . . . . . 433 SER H . 51952 1 586 . 1 . 1 103 103 SER HA H 1 4.556 0.02 . 1 . . . . . 433 SER HA . 51952 1 587 . 1 . 1 103 103 SER C C 13 174.939 0.2 . 1 . . . . . 433 SER C . 51952 1 588 . 1 . 1 103 103 SER CA C 13 58.381 0.006 . 1 . . . . . 433 SER CA . 51952 1 589 . 1 . 1 103 103 SER CB C 13 63.923 0.2 . 1 . . . . . 433 SER CB . 51952 1 590 . 1 . 1 103 103 SER N N 15 118.469 0.144 . 1 . . . . . 433 SER N . 51952 1 591 . 1 . 1 104 104 SER H H 1 7.932 0.02 . 1 . . . . . 434 SER H . 51952 1 592 . 1 . 1 104 104 SER HA H 1 4.456 0.002 . 1 . . . . . 434 SER HA . 51952 1 593 . 1 . 1 104 104 SER CA C 13 58.3 0.2 . 1 . . . . . 434 SER CA . 51952 1 594 . 1 . 1 104 104 SER N N 15 115.889 0.117 . 1 . . . . . 434 SER N . 51952 1 595 . 1 . 1 105 105 ARG HA H 1 4.254 0.001 . 1 . . . . . 435 ARG HA . 51952 1 596 . 1 . 1 105 105 ARG CA C 13 56.907 0.009 . 1 . . . . . 435 ARG CA . 51952 1 597 . 1 . 1 105 105 ARG N N 15 122.678 0.049 . 1 . . . . . 435 ARG N . 51952 1 598 . 1 . 1 106 106 ASN H H 1 8.337 0.005 . 1 . . . . . 436 ASN H . 51952 1 599 . 1 . 1 106 106 ASN HA H 1 4.64 0.007 . 1 . . . . . 436 ASN HA . 51952 1 600 . 1 . 1 106 106 ASN C C 13 175.203 0.2 . 1 . . . . . 436 ASN C . 51952 1 601 . 1 . 1 106 106 ASN CA C 13 53.496 0.035 . 1 . . . . . 436 ASN CA . 51952 1 602 . 1 . 1 106 106 ASN CB C 13 38.774 0.016 . 1 . . . . . 436 ASN CB . 51952 1 603 . 1 . 1 106 106 ASN N N 15 119.151 0.086 . 1 . . . . . 436 ASN N . 51952 1 604 . 1 . 1 107 107 ALA H H 1 8.143 0.003 . 1 . . . . . 437 ALA H . 51952 1 605 . 1 . 1 107 107 ALA HA H 1 4.245 0.005 . 1 . . . . . 437 ALA HA . 51952 1 606 . 1 . 1 107 107 ALA C C 13 177.879 0.003 . 1 . . . . . 437 ALA C . 51952 1 607 . 1 . 1 107 107 ALA CA C 13 53.035 0.065 . 1 . . . . . 437 ALA CA . 51952 1 608 . 1 . 1 107 107 ALA CB C 13 19.158 0.062 . 1 . . . . . 437 ALA CB . 51952 1 609 . 1 . 1 107 107 ALA N N 15 124.301 0.06 . 1 . . . . . 437 ALA N . 51952 1 610 . 1 . 1 108 108 ARG H H 1 8.217 0.003 . 1 . . . . . 438 ARG H . 51952 1 611 . 1 . 1 108 108 ARG HA H 1 4.258 0.013 . 1 . . . . . 438 ARG HA . 51952 1 612 . 1 . 1 108 108 ARG C C 13 176.599 0.005 . 1 . . . . . 438 ARG C . 51952 1 613 . 1 . 1 108 108 ARG CA C 13 56.283 0.106 . 1 . . . . . 438 ARG CA . 51952 1 614 . 1 . 1 108 108 ARG CB C 13 30.677 0.036 . 1 . . . . . 438 ARG CB . 51952 1 615 . 1 . 1 108 108 ARG N N 15 119.851 0.065 . 1 . . . . . 438 ARG N . 51952 1 616 . 1 . 1 109 109 ARG H H 1 8.294 0.004 . 1 . . . . . 439 ARG H . 51952 1 617 . 1 . 1 109 109 ARG HA H 1 4.271 0.02 . 1 . . . . . 439 ARG HA . 51952 1 618 . 1 . 1 109 109 ARG C C 13 176.546 0.009 . 1 . . . . . 439 ARG C . 51952 1 619 . 1 . 1 109 109 ARG CA C 13 56.407 0.04 . 1 . . . . . 439 ARG CA . 51952 1 620 . 1 . 1 109 109 ARG CB C 13 30.776 0.036 . 1 . . . . . 439 ARG CB . 51952 1 621 . 1 . 1 109 109 ARG N N 15 122.577 0.064 . 1 . . . . . 439 ARG N . 51952 1 622 . 1 . 1 110 110 ARG H H 1 8.464 0.003 . 1 . . . . . 440 ARG H . 51952 1 623 . 1 . 1 110 110 ARG HA H 1 4.286 0.02 . 1 . . . . . 440 ARG HA . 51952 1 624 . 1 . 1 110 110 ARG C C 13 176.836 0.012 . 1 . . . . . 440 ARG C . 51952 1 625 . 1 . 1 110 110 ARG CA C 13 56.607 0.058 . 1 . . . . . 440 ARG CA . 51952 1 626 . 1 . 1 110 110 ARG CB C 13 30.805 0.005 . 1 . . . . . 440 ARG CB . 51952 1 627 . 1 . 1 110 110 ARG N N 15 122.701 0.058 . 1 . . . . . 440 ARG N . 51952 1 628 . 1 . 1 111 111 GLU H H 1 8.574 0.001 . 1 . . . . . 441 GLU H . 51952 1 629 . 1 . 1 111 111 GLU HA H 1 4.211 0.02 . 1 . . . . . 441 GLU HA . 51952 1 630 . 1 . 1 111 111 GLU C C 13 176.877 0.006 . 1 . . . . . 441 GLU C . 51952 1 631 . 1 . 1 111 111 GLU CA C 13 57.206 0.067 . 1 . . . . . 441 GLU CA . 51952 1 632 . 1 . 1 111 111 GLU CB C 13 29.979 0.076 . 1 . . . . . 441 GLU CB . 51952 1 633 . 1 . 1 111 111 GLU N N 15 122.076 0.056 . 1 . . . . . 441 GLU N . 51952 1 634 . 1 . 1 112 112 SER H H 1 8.258 0.003 . 1 . . . . . 442 SER H . 51952 1 635 . 1 . 1 112 112 SER HA H 1 4.311 0.02 . 1 . . . . . 442 SER HA . 51952 1 636 . 1 . 1 112 112 SER C C 13 174.762 0.005 . 1 . . . . . 442 SER C . 51952 1 637 . 1 . 1 112 112 SER CA C 13 58.765 0.089 . 1 . . . . . 442 SER CA . 51952 1 638 . 1 . 1 112 112 SER CB C 13 63.67 0.034 . 1 . . . . . 442 SER CB . 51952 1 639 . 1 . 1 112 112 SER N N 15 115.696 0.067 . 1 . . . . . 442 SER N . 51952 1 640 . 1 . 1 113 113 GLU H H 1 8.348 0.004 . 1 . . . . . 443 GLU H . 51952 1 641 . 1 . 1 113 113 GLU HA H 1 4.248 0.003 . 1 . . . . . 443 GLU HA . 51952 1 642 . 1 . 1 113 113 GLU C C 13 176.615 0.04 . 1 . . . . . 443 GLU C . 51952 1 643 . 1 . 1 113 113 GLU CA C 13 56.842 0.065 . 1 . . . . . 443 GLU CA . 51952 1 644 . 1 . 1 113 113 GLU CB C 13 30.239 0.084 . 1 . . . . . 443 GLU CB . 51952 1 645 . 1 . 1 113 113 GLU N N 15 122.732 0.047 . 1 . . . . . 443 GLU N . 51952 1 646 . 1 . 1 114 114 LYS H H 1 8.238 0.003 . 1 . . . . . 444 LYS H . 51952 1 647 . 1 . 1 114 114 LYS HA H 1 4.301 0.004 . 1 . . . . . 444 LYS HA . 51952 1 648 . 1 . 1 114 114 LYS C C 13 176.712 0.2 . 1 . . . . . 444 LYS C . 51952 1 649 . 1 . 1 114 114 LYS CA C 13 56.601 0.092 . 1 . . . . . 444 LYS CA . 51952 1 650 . 1 . 1 114 114 LYS CB C 13 32.858 0.041 . 1 . . . . . 444 LYS CB . 51952 1 651 . 1 . 1 114 114 LYS N N 15 121.926 0.041 . 1 . . . . . 444 LYS N . 51952 1 652 . 1 . 1 115 115 SER H H 1 8.326 0.001 . 1 . . . . . 445 SER H . 51952 1 653 . 1 . 1 115 115 SER HA H 1 4.399 0.009 . 1 . . . . . 445 SER HA . 51952 1 654 . 1 . 1 115 115 SER C C 13 174.823 0.001 . 1 . . . . . 445 SER C . 51952 1 655 . 1 . 1 115 115 SER CA C 13 58.457 0.074 . 1 . . . . . 445 SER CA . 51952 1 656 . 1 . 1 115 115 SER CB C 13 63.672 0.048 . 1 . . . . . 445 SER CB . 51952 1 657 . 1 . 1 115 115 SER N N 15 117.119 0.059 . 1 . . . . . 445 SER N . 51952 1 658 . 1 . 1 116 116 LEU H H 1 8.345 0.002 . 1 . . . . . 446 LEU H . 51952 1 659 . 1 . 1 116 116 LEU HA H 1 4.332 0.006 . 1 . . . . . 446 LEU HA . 51952 1 660 . 1 . 1 116 116 LEU C C 13 177.77 0.001 . 1 . . . . . 446 LEU C . 51952 1 661 . 1 . 1 116 116 LEU CA C 13 55.511 0.059 . 1 . . . . . 446 LEU CA . 51952 1 662 . 1 . 1 116 116 LEU CB C 13 42.224 0.071 . 1 . . . . . 446 LEU CB . 51952 1 663 . 1 . 1 116 116 LEU N N 15 124.192 0.039 . 1 . . . . . 446 LEU N . 51952 1 664 . 1 . 1 117 117 GLU H H 1 8.338 0.003 . 1 . . . . . 447 GLU H . 51952 1 665 . 1 . 1 117 117 GLU HA H 1 4.194 0.003 . 1 . . . . . 447 GLU HA . 51952 1 666 . 1 . 1 117 117 GLU C C 13 176.423 0.007 . 1 . . . . . 447 GLU C . 51952 1 667 . 1 . 1 117 117 GLU CA C 13 57.076 0.065 . 1 . . . . . 447 GLU CA . 51952 1 668 . 1 . 1 117 117 GLU CB C 13 30.013 0.068 . 1 . . . . . 447 GLU CB . 51952 1 669 . 1 . 1 117 117 GLU N N 15 120.788 0.084 . 1 . . . . . 447 GLU N . 51952 1 670 . 1 . 1 118 118 ASN H H 1 8.342 0.002 . 1 . . . . . 448 ASN H . 51952 1 671 . 1 . 1 118 118 ASN HA H 1 4.66 0.008 . 1 . . . . . 448 ASN HA . 51952 1 672 . 1 . 1 118 118 ASN C C 13 175.337 0.015 . 1 . . . . . 448 ASN C . 51952 1 673 . 1 . 1 118 118 ASN CA C 13 53.514 0.052 . 1 . . . . . 448 ASN CA . 51952 1 674 . 1 . 1 118 118 ASN CB C 13 38.914 0.033 . 1 . . . . . 448 ASN CB . 51952 1 675 . 1 . 1 118 118 ASN N N 15 118.799 0.05 . 1 . . . . . 448 ASN N . 51952 1 676 . 1 . 1 119 119 GLU H H 1 8.373 0.002 . 1 . . . . . 449 GLU H . 51952 1 677 . 1 . 1 119 119 GLU HA H 1 4.315 0.023 . 1 . . . . . 449 GLU HA . 51952 1 678 . 1 . 1 119 119 GLU C C 13 176.725 0.018 . 1 . . . . . 449 GLU C . 51952 1 679 . 1 . 1 119 119 GLU CA C 13 57.026 0.104 . 1 . . . . . 449 GLU CA . 51952 1 680 . 1 . 1 119 119 GLU CB C 13 30.296 0.085 . 1 . . . . . 449 GLU CB . 51952 1 681 . 1 . 1 119 119 GLU N N 15 121.373 0.041 . 1 . . . . . 449 GLU N . 51952 1 682 . 1 . 1 120 120 THR H H 1 8.216 0.002 . 1 . . . . . 450 THR H . 51952 1 683 . 1 . 1 120 120 THR HA H 1 4.285 0.001 . 1 . . . . . 450 THR HA . 51952 1 684 . 1 . 1 120 120 THR C C 13 174.493 0.024 . 1 . . . . . 450 THR C . 51952 1 685 . 1 . 1 120 120 THR CA C 13 62.188 0.082 . 1 . . . . . 450 THR CA . 51952 1 686 . 1 . 1 120 120 THR CB C 13 69.663 0.023 . 1 . . . . . 450 THR CB . 51952 1 687 . 1 . 1 120 120 THR N N 15 115.303 0.058 . 1 . . . . . 450 THR N . 51952 1 688 . 1 . 1 121 121 LEU H H 1 8.175 0.002 . 1 . . . . . 451 LEU H . 51952 1 689 . 1 . 1 121 121 LEU HA H 1 4.319 0.004 . 1 . . . . . 451 LEU HA . 51952 1 690 . 1 . 1 121 121 LEU C C 13 176.93 0.006 . 1 . . . . . 451 LEU C . 51952 1 691 . 1 . 1 121 121 LEU CA C 13 55.197 0.074 . 1 . . . . . 451 LEU CA . 51952 1 692 . 1 . 1 121 121 LEU CB C 13 42.37 0.017 . 1 . . . . . 451 LEU CB . 51952 1 693 . 1 . 1 121 121 LEU N N 15 124.596 0.055 . 1 . . . . . 451 LEU N . 51952 1 694 . 1 . 1 122 122 ASN H H 1 8.438 0.003 . 1 . . . . . 452 ASN H . 51952 1 695 . 1 . 1 122 122 ASN HA H 1 4.662 0.008 . 1 . . . . . 452 ASN HA . 51952 1 696 . 1 . 1 122 122 ASN C C 13 174.969 0.011 . 1 . . . . . 452 ASN C . 51952 1 697 . 1 . 1 122 122 ASN CA C 13 53.2 0.096 . 1 . . . . . 452 ASN CA . 51952 1 698 . 1 . 1 122 122 ASN CB C 13 38.845 0.022 . 1 . . . . . 452 ASN CB . 51952 1 699 . 1 . 1 122 122 ASN N N 15 119.954 0.059 . 1 . . . . . 452 ASN N . 51952 1 700 . 1 . 1 123 123 LYS H H 1 8.313 0.003 . 1 . . . . . 453 LYS H . 51952 1 701 . 1 . 1 123 123 LYS HA H 1 4.284 0.021 . 1 . . . . . 453 LYS HA . 51952 1 702 . 1 . 1 123 123 LYS C C 13 176.546 0.024 . 1 . . . . . 453 LYS C . 51952 1 703 . 1 . 1 123 123 LYS CA C 13 56.42 0.2 . 1 . . . . . 453 LYS CA . 51952 1 704 . 1 . 1 123 123 LYS CB C 13 33.082 0.2 . 1 . . . . . 453 LYS CB . 51952 1 705 . 1 . 1 123 123 LYS N N 15 122.354 0.036 . 1 . . . . . 453 LYS N . 51952 1 706 . 1 . 1 124 124 GLU H H 1 8.514 0.003 . 1 . . . . . 454 GLU H . 51952 1 707 . 1 . 1 124 124 GLU HA H 1 4.237 0.007 . 1 . . . . . 454 GLU HA . 51952 1 708 . 1 . 1 124 124 GLU C C 13 176.55 0.001 . 1 . . . . . 454 GLU C . 51952 1 709 . 1 . 1 124 124 GLU CA C 13 56.72 0.03 . 1 . . . . . 454 GLU CA . 51952 1 710 . 1 . 1 124 124 GLU CB C 13 30.058 0.2 . 1 . . . . . 454 GLU CB . 51952 1 711 . 1 . 1 124 124 GLU N N 15 122.498 0.04 . 1 . . . . . 454 GLU N . 51952 1 712 . 1 . 1 125 125 GLU H H 1 8.405 0.005 . 1 . . . . . 455 GLU H . 51952 1 713 . 1 . 1 125 125 GLU HA H 1 4.274 0.011 . 1 . . . . . 455 GLU HA . 51952 1 714 . 1 . 1 125 125 GLU C C 13 176.143 0.003 . 1 . . . . . 455 GLU C . 51952 1 715 . 1 . 1 125 125 GLU CA C 13 56.571 0.004 . 1 . . . . . 455 GLU CA . 51952 1 716 . 1 . 1 125 125 GLU CB C 13 30.639 0.036 . 1 . . . . . 455 GLU CB . 51952 1 717 . 1 . 1 125 125 GLU N N 15 121.214 0.025 . 1 . . . . . 455 GLU N . 51952 1 718 . 1 . 1 126 126 ASP H H 1 8.423 0.003 . 1 . . . . . 456 ASP H . 51952 1 719 . 1 . 1 126 126 ASP HA H 1 4.627 0.007 . 1 . . . . . 456 ASP HA . 51952 1 720 . 1 . 1 126 126 ASP C C 13 175.173 0.005 . 1 . . . . . 456 ASP C . 51952 1 721 . 1 . 1 126 126 ASP CA C 13 54.492 0.081 . 1 . . . . . 456 ASP CA . 51952 1 722 . 1 . 1 126 126 ASP CB C 13 41.015 0.049 . 1 . . . . . 456 ASP CB . 51952 1 723 . 1 . 1 126 126 ASP N N 15 121.98 0.034 . 1 . . . . . 456 ASP N . 51952 1 724 . 1 . 1 127 127 CYS H H 1 7.882 0.002 . 1 . . . . . 457 CYS H . 51952 1 725 . 1 . 1 127 127 CYS HA H 1 4.367 0.02 . 1 . . . . . 457 CYS HA . 51952 1 726 . 1 . 1 127 127 CYS C C 13 178.748 0.2 . 1 . . . . . 457 CYS C . 51952 1 727 . 1 . 1 127 127 CYS CA C 13 59.406 0.029 . 1 . . . . . 457 CYS CA . 51952 1 728 . 1 . 1 127 127 CYS CB C 13 29.156 0.2 . 1 . . . . . 457 CYS CB . 51952 1 729 . 1 . 1 127 127 CYS N N 15 123.183 0.049 . 1 . . . . . 457 CYS N . 51952 1 stop_ save_