data_26990 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26990 _Entry.Title ; 1H, 15N and 13C Chemical Shift Assignments of the Regulatory Domain of Human Calcineurin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-05 _Entry.Accession_date 2017-01-05 _Entry.Last_release_date 2017-01-05 _Entry.Original_release_date 2017-01-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 . 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 Dinesh Yadav . K. . . 26990 2 'Sri Ramya' Tata . . . . 26990 3 John Hunt . . . . 26990 4 Erik Cook . C. . . 26990 5 Trevor Creamer . P. . . 26990 6 Nicholas Fitzkee . C. . . 26990 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Chemistry, Mississippi State University' . 26990 2 . 'Department of Molecular and Cellular Biochemistry, University of Kentucky' . 26990 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26990 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 376 26990 '15N chemical shifts' 95 26990 '1H chemical shifts' 285 26990 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 . . 2018-02-07 2017-01-05 update BMRB 'update entry citation' 26990 1 . . 2017-06-20 2017-01-05 original author 'original release' 26990 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26990 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28803387 _Citation.Full_citation . _Citation.Title ; 1H, 15N, and 13C chemical shift assignments of the regulatory domain of human calcineurin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 215 _Citation.Page_last 219 _Citation.Year 2017 _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 Dinesh Yadav . K. . . 26990 1 2 'Sri Ramya' Tata . . . . 26990 1 3 John Hunt . . . . 26990 1 4 Erik Cook . C. . . 26990 1 5 Trevor Creamer . P. . . 26990 1 6 Nicholas Fitzkee . C. . . 26990 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Calcineurin 26990 1 'Regulatory domain of calcineurin' 26990 1 'solution NMR' 26990 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26990 _Assembly.ID 1 _Assembly.Name 'Regulatory domain of Calcineurin' _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 10359.8 _Assembly.Enzyme_commission_number . _Assembly.Details '7 amino acid long linear polypeptide' _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 'Regulatory domain of Calcineurin' 1 $Regulatory_Domain_of_Calcineurin A . yes 'intrinsically disordered' no no . . . 26990 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1AUI . . X-ray 2.1 'Regulatory domain is one small fragment of this PDB entry' 'RD was not visible in this PDB entry' 26990 1 yes PDB 4Q5U . . X-ray 1.95 'Fragment of RD with Calmodulin' 'Crystal structure of fragment of RD with Calmodulin' 26990 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Regulatory_Domain_of_Calcineurin _Entity.Sf_category entity _Entity.Sf_framecode Regulatory_Domain_of_Calcineurin _Entity.Entry_ID 26990 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Regulatory_Domain_of_Calcineurin _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 ; MAGTAAARKEVIRNKIRAIG KMARVFSVLREESESVLTLK GLTPTGMLPSGVLSGGKQTL QSATVEAIEADEAIKGFSPQ HKITGWGGGLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq M,385 _Entity.Polymer_author_seq_details ; A partially disordered region of Calcineurin with Calmodulin binding sequence. The first 3 residues at the N-terminus, and the last 13 residues at the C-terminus, are extraneous and correspond to additional sequence used in the cloning vector. Residues 4 to 89 correspond to residues 388-468 of Calcineurin chain A isoform alpha (NCBI Reference Sequence NP_000935). ; _Entity.Ambiguous_conformational_states yes _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment RD _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10359.8 _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 PDB 1AUI . Calcineurin . . . . . . . . . . . . . . 26990 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Dephosphorylation of NFAT' 26990 1 "Inhibitor of Calmodulin activated cyclic 3',5'-nucleotide phosphodiesterase" 26990 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 1 385 MET . 26990 1 2 386 ALA . 26990 1 3 387 GLY . 26990 1 4 388 THR . 26990 1 5 389 ALA . 26990 1 6 390 ALA . 26990 1 7 391 ALA . 26990 1 8 392 ARG . 26990 1 9 393 LYS . 26990 1 10 394 GLU . 26990 1 11 395 VAL . 26990 1 12 396 ILE . 26990 1 13 397 ARG . 26990 1 14 398 ASN . 26990 1 15 399 LYS . 26990 1 16 400 ILE . 26990 1 17 401 ARG . 26990 1 18 402 ALA . 26990 1 19 403 ILE . 26990 1 20 404 GLY . 26990 1 21 405 LYS . 26990 1 22 406 MET . 26990 1 23 407 ALA . 26990 1 24 408 ARG . 26990 1 25 409 VAL . 26990 1 26 410 PHE . 26990 1 27 411 SER . 26990 1 28 412 VAL . 26990 1 29 413 LEU . 26990 1 30 414 ARG . 26990 1 31 415 GLU . 26990 1 32 416 GLU . 26990 1 33 417 SER . 26990 1 34 418 GLU . 26990 1 35 419 SER . 26990 1 36 420 VAL . 26990 1 37 421 LEU . 26990 1 38 422 THR . 26990 1 39 423 LEU . 26990 1 40 424 LYS . 26990 1 41 425 GLY . 26990 1 42 426 LEU . 26990 1 43 427 THR . 26990 1 44 428 PRO . 26990 1 45 429 THR . 26990 1 46 430 GLY . 26990 1 47 431 MET . 26990 1 48 432 LEU . 26990 1 49 433 PRO . 26990 1 50 434 SER . 26990 1 51 435 GLY . 26990 1 52 436 VAL . 26990 1 53 437 LEU . 26990 1 54 438 SER . 26990 1 55 439 GLY . 26990 1 56 440 GLY . 26990 1 57 441 LYS . 26990 1 58 442 GLN . 26990 1 59 443 THR . 26990 1 60 444 LEU . 26990 1 61 445 GLN . 26990 1 62 446 SER . 26990 1 63 447 ALA . 26990 1 64 448 THR . 26990 1 65 449 VAL . 26990 1 66 450 GLU . 26990 1 67 451 ALA . 26990 1 68 452 ILE . 26990 1 69 453 GLU . 26990 1 70 454 ALA . 26990 1 71 455 ASP . 26990 1 72 456 GLU . 26990 1 73 457 ALA . 26990 1 74 458 ILE . 26990 1 75 459 LYS . 26990 1 76 460 GLY . 26990 1 77 461 PHE . 26990 1 78 462 SER . 26990 1 79 463 PRO . 26990 1 80 464 GLN . 26990 1 81 465 HIS . 26990 1 82 466 LYS . 26990 1 83 467 ILE . 26990 1 84 468 THR . 26990 1 85 469 GLY . 26990 1 86 470 TRP . 26990 1 87 471 GLY . 26990 1 88 472 GLY . 26990 1 89 473 GLY . 26990 1 90 474 LEU . 26990 1 91 475 GLU . 26990 1 92 476 HIS . 26990 1 93 477 HIS . 26990 1 94 478 HIS . 26990 1 95 479 HIS . 26990 1 96 480 HIS . 26990 1 97 481 HIS . 26990 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26990 1 . ALA 2 2 26990 1 . GLY 3 3 26990 1 . THR 4 4 26990 1 . ALA 5 5 26990 1 . ALA 6 6 26990 1 . ALA 7 7 26990 1 . ARG 8 8 26990 1 . LYS 9 9 26990 1 . GLU 10 10 26990 1 . VAL 11 11 26990 1 . ILE 12 12 26990 1 . ARG 13 13 26990 1 . ASN 14 14 26990 1 . LYS 15 15 26990 1 . ILE 16 16 26990 1 . ARG 17 17 26990 1 . ALA 18 18 26990 1 . ILE 19 19 26990 1 . GLY 20 20 26990 1 . LYS 21 21 26990 1 . MET 22 22 26990 1 . ALA 23 23 26990 1 . ARG 24 24 26990 1 . VAL 25 25 26990 1 . PHE 26 26 26990 1 . SER 27 27 26990 1 . VAL 28 28 26990 1 . LEU 29 29 26990 1 . ARG 30 30 26990 1 . GLU 31 31 26990 1 . GLU 32 32 26990 1 . SER 33 33 26990 1 . GLU 34 34 26990 1 . SER 35 35 26990 1 . VAL 36 36 26990 1 . LEU 37 37 26990 1 . THR 38 38 26990 1 . LEU 39 39 26990 1 . LYS 40 40 26990 1 . GLY 41 41 26990 1 . LEU 42 42 26990 1 . THR 43 43 26990 1 . PRO 44 44 26990 1 . THR 45 45 26990 1 . GLY 46 46 26990 1 . MET 47 47 26990 1 . LEU 48 48 26990 1 . PRO 49 49 26990 1 . SER 50 50 26990 1 . GLY 51 51 26990 1 . VAL 52 52 26990 1 . LEU 53 53 26990 1 . SER 54 54 26990 1 . GLY 55 55 26990 1 . GLY 56 56 26990 1 . LYS 57 57 26990 1 . GLN 58 58 26990 1 . THR 59 59 26990 1 . LEU 60 60 26990 1 . GLN 61 61 26990 1 . SER 62 62 26990 1 . ALA 63 63 26990 1 . THR 64 64 26990 1 . VAL 65 65 26990 1 . GLU 66 66 26990 1 . ALA 67 67 26990 1 . ILE 68 68 26990 1 . GLU 69 69 26990 1 . ALA 70 70 26990 1 . ASP 71 71 26990 1 . GLU 72 72 26990 1 . ALA 73 73 26990 1 . ILE 74 74 26990 1 . LYS 75 75 26990 1 . GLY 76 76 26990 1 . PHE 77 77 26990 1 . SER 78 78 26990 1 . PRO 79 79 26990 1 . GLN 80 80 26990 1 . HIS 81 81 26990 1 . LYS 82 82 26990 1 . ILE 83 83 26990 1 . THR 84 84 26990 1 . GLY 85 85 26990 1 . TRP 86 86 26990 1 . GLY 87 87 26990 1 . GLY 88 88 26990 1 . GLY 89 89 26990 1 . LEU 90 90 26990 1 . GLU 91 91 26990 1 . HIS 92 92 26990 1 . HIS 93 93 26990 1 . HIS 94 94 26990 1 . HIS 95 95 26990 1 . HIS 96 96 26990 1 . HIS 97 97 26990 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 26990 _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 $Regulatory_Domain_of_Calcineurin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26990 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 26990 _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 $Regulatory_Domain_of_Calcineurin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETRD . . . 26990 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26990 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '94% H2O/6% 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 D2O '[U-100% 2H]' . . . . . . 6 . . % . . . . 26990 1 2 'Regulatory Domain of Calcineurin' '[U-100% 13C; U-100% 15N]' . . 1 $Regulatory_Domain_of_Calcineurin . . 0.2 . . mM . . . . 26990 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 26990 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 26990 1 5 'PIPES Buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 26990 1 6 H2O 'natural abundance' . . . . . . 94 . . % . . . . 26990 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26990 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/6% 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 D2O '[U-100% 2H]' . . . . . . 6 . . % . . . . 26990 2 2 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 26990 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 26990 2 4 'PIPES Buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 26990 2 5 'Regulatory Domain of Calcineurin' '[U-100% 13C; U-100% 15N]' . . 1 $Regulatory_Domain_of_Calcineurin . . 250 . . mM . . . . 26990 2 6 H2O 'natural abundance' . . . . . . 94 . . % . . . . 26990 2 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 26990 _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' 0.1 . M 26990 1 pH 5.5 . pH 26990 1 pressure 1 . atm 26990 1 temperature 288 . K 26990 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26990 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26990 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26990 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26990 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26990 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26990 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26990 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26990 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26990 3 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 26990 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; Bruker AVANCE III 600 MHz spectrometer, equipped with multinuclear biomolecular (QCI) Cryo-probe ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26990 _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 . 600 ; Bruker AVANCE III 600 MHz spectrometer, equipped with multinuclear biomolecular (QCI) Cryo-probe ; . . 26990 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 26990 _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 . . . . . . . . . . . . . . . . 26990 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26990 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26990 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26990 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26990 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26990 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26990 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26990 1 9 '3D (HACA)N(CA)CON' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26990 1 10 '2D HACACON' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26990 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 26990 _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 'insert at center of experimental sample tube' cylindrical parallel . . 26990 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'insert at center of experimental sample tube' cylindrical parallel . . 26990 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'insert at center of experimental sample tube' cylindrical parallel . . 26990 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 26990 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method 'Standard Deviation from mean' _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26990 1 2 '3D HNCO' . . . 26990 1 3 '3D HNCA' . . . 26990 1 4 '3D HNCACB' . . . 26990 1 5 '3D CBCA(CO)NH' . . . 26990 1 6 '3D HN(CO)CA' . . . 26990 1 7 '3D 1H-15N TOCSY' . . . 26990 1 8 '3D H(CCO)NH' . . . 26990 1 9 '3D (HACA)N(CA)CON' . . . 26990 1 10 '2D HACACON' . . . 26990 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 $SPARKY . . 26990 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.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 2 2 ALA C C 13 174.149 0.005 . . . . . . . 386 ALA C . 26990 1 2 . 1 1 2 2 ALA CA C 13 51.849 0.043 . . . . . . . 386 ALA CA . 26990 1 3 . 1 1 2 2 ALA CB C 13 19.337 0.035 . . . . . . . 386 ALA CB . 26990 1 4 . 1 1 3 3 GLY H H 1 8.7 0.005 . . . . . . . 387 GLY HN . 26990 1 5 . 1 1 3 3 GLY HA2 H 1 4.058 0 . . . . . . . 387 GLY HA . 26990 1 6 . 1 1 3 3 GLY HA3 H 1 4.058 0 . . . . . . . 387 GLY HA . 26990 1 7 . 1 1 3 3 GLY C C 13 173.968 0.001 . . . . . . . 387 GLY C . 26990 1 8 . 1 1 3 3 GLY CA C 13 45.048 0.028 . . . . . . . 387 GLY CA . 26990 1 9 . 1 1 3 3 GLY N N 15 108.66 0.035 . . . . . . . 387 GLY N . 26990 1 10 . 1 1 4 4 THR H H 1 8.26 0.006 . . . . . . . 388 THR HN . 26990 1 11 . 1 1 4 4 THR HA H 1 4.322 0 . . . . . . . 388 THR HA . 26990 1 12 . 1 1 4 4 THR HB H 1 4.267 0 . . . . . . . 388 THR HB . 26990 1 13 . 1 1 4 4 THR C C 13 174.421 0.004 . . . . . . . 388 THR C . 26990 1 14 . 1 1 4 4 THR CA C 13 61.736 0.028 . . . . . . . 388 THR CA . 26990 1 15 . 1 1 4 4 THR CB C 13 70.009 0.217 . . . . . . . 388 THR CB . 26990 1 16 . 1 1 4 4 THR CG2 C 13 21.58 0 . . . . . . . 388 THR CG2 . 26990 1 17 . 1 1 4 4 THR N N 15 114.252 0.048 . . . . . . . 388 THR N . 26990 1 18 . 1 1 5 5 ALA H H 1 8.484 0.004 . . . . . . . 389 ALA HN . 26990 1 19 . 1 1 5 5 ALA HA H 1 4.269 0 . . . . . . . 389 ALA HA . 26990 1 20 . 1 1 5 5 ALA HB1 H 1 1.373 0 . . . . . . . 389 ALA HB . 26990 1 21 . 1 1 5 5 ALA HB2 H 1 1.373 0 . . . . . . . 389 ALA HB . 26990 1 22 . 1 1 5 5 ALA HB3 H 1 1.373 0 . . . . . . . 389 ALA HB . 26990 1 23 . 1 1 5 5 ALA C C 13 177.59 0.013 . . . . . . . 389 ALA C . 26990 1 24 . 1 1 5 5 ALA CA C 13 52.743 0.037 . . . . . . . 389 ALA CA . 26990 1 25 . 1 1 5 5 ALA CB C 13 19.127 0.022 . . . . . . . 389 ALA CB . 26990 1 26 . 1 1 5 5 ALA N N 15 127.013 0.042 . . . . . . . 389 ALA N . 26990 1 27 . 1 1 6 6 ALA H H 1 8.314 0.004 . . . . . . . 390 ALA HN . 26990 1 28 . 1 1 6 6 ALA HA H 1 4.169 0 . . . . . . . 390 ALA HA . 26990 1 29 . 1 1 6 6 ALA HB1 H 1 1.369 0 . . . . . . . 390 ALA HB . 26990 1 30 . 1 1 6 6 ALA HB2 H 1 1.369 0 . . . . . . . 390 ALA HB . 26990 1 31 . 1 1 6 6 ALA HB3 H 1 1.369 0 . . . . . . . 390 ALA HB . 26990 1 32 . 1 1 6 6 ALA C C 13 177.589 0.013 . . . . . . . 390 ALA C . 26990 1 33 . 1 1 6 6 ALA CA C 13 52.521 0.048 . . . . . . . 390 ALA CA . 26990 1 34 . 1 1 6 6 ALA CB C 13 19.113 0.013 . . . . . . . 390 ALA CB . 26990 1 35 . 1 1 6 6 ALA N N 15 123.599 0.037 . . . . . . . 390 ALA N . 26990 1 36 . 1 1 7 7 ALA H H 1 8.247 0.005 . . . . . . . 391 ALA HN . 26990 1 37 . 1 1 7 7 ALA HA H 1 4.241 0 . . . . . . . 391 ALA HA . 26990 1 38 . 1 1 7 7 ALA HB1 H 1 1.379 0 . . . . . . . 391 ALA HB . 26990 1 39 . 1 1 7 7 ALA HB2 H 1 1.379 0 . . . . . . . 391 ALA HB . 26990 1 40 . 1 1 7 7 ALA HB3 H 1 1.379 0 . . . . . . . 391 ALA HB . 26990 1 41 . 1 1 7 7 ALA C C 13 177.781 0.017 . . . . . . . 391 ALA C . 26990 1 42 . 1 1 7 7 ALA CA C 13 52.5 0.045 . . . . . . . 391 ALA CA . 26990 1 43 . 1 1 7 7 ALA CB C 13 19.182 0.048 . . . . . . . 391 ALA CB . 26990 1 44 . 1 1 7 7 ALA N N 15 123.546 0.045 . . . . . . . 391 ALA N . 26990 1 45 . 1 1 8 8 ARG H H 1 8.289 0.005 . . . . . . . 392 ARG HN . 26990 1 46 . 1 1 8 8 ARG HA H 1 4.262 0 . . . . . . . 392 ARG HA . 26990 1 47 . 1 1 8 8 ARG HB2 H 1 1.769 0 . . . . . . . 392 ARG HB . 26990 1 48 . 1 1 8 8 ARG HB3 H 1 1.769 0 . . . . . . . 392 ARG HB . 26990 1 49 . 1 1 8 8 ARG C C 13 176.293 0.023 . . . . . . . 392 ARG C . 26990 1 50 . 1 1 8 8 ARG CA C 13 56.217 0.066 . . . . . . . 392 ARG CA . 26990 1 51 . 1 1 8 8 ARG CB C 13 30.828 0.036 . . . . . . . 392 ARG CB . 26990 1 52 . 1 1 8 8 ARG CG C 13 27.838 0 . . . . . . . 392 ARG CG . 26990 1 53 . 1 1 8 8 ARG CD C 13 43.409 0 . . . . . . . 392 ARG CD . 26990 1 54 . 1 1 8 8 ARG N N 15 120.761 0.043 . . . . . . . 392 ARG N . 26990 1 55 . 1 1 9 9 LYS H H 1 8.376 0.005 . . . . . . . 393 LYS HN . 26990 1 56 . 1 1 9 9 LYS HA H 1 4.255 0 . . . . . . . 393 LYS HA . 26990 1 57 . 1 1 9 9 LYS HB2 H 1 1.742 0 . . . . . . . 393 LYS HB . 26990 1 58 . 1 1 9 9 LYS HB3 H 1 1.742 0 . . . . . . . 393 LYS HB . 26990 1 59 . 1 1 9 9 LYS HG2 H 1 1.333 0 . . . . . . . 393 LYS HG . 26990 1 60 . 1 1 9 9 LYS HG3 H 1 1.333 0 . . . . . . . 393 LYS HG . 26990 1 61 . 1 1 9 9 LYS C C 13 176.407 0.024 . . . . . . . 393 LYS C . 26990 1 62 . 1 1 9 9 LYS CA C 13 56.42 0.095 . . . . . . . 393 LYS CA . 26990 1 63 . 1 1 9 9 LYS CB C 13 32.988 0.023 . . . . . . . 393 LYS CB . 26990 1 64 . 1 1 9 9 LYS CG C 13 24.822 0 . . . . . . . 393 LYS CG . 26990 1 65 . 1 1 9 9 LYS CD C 13 29.058 0 . . . . . . . 393 LYS CD . 26990 1 66 . 1 1 9 9 LYS CE C 13 42.14 0 . . . . . . . 393 LYS CE . 26990 1 67 . 1 1 9 9 LYS N N 15 123.097 0.096 . . . . . . . 393 LYS N . 26990 1 68 . 1 1 10 10 GLU H H 1 8.449 0.006 . . . . . . . 394 GLU HN . 26990 1 69 . 1 1 10 10 GLU HA H 1 4.265 0 . . . . . . . 394 GLU HA . 26990 1 70 . 1 1 10 10 GLU HB2 H 1 1.953 0 . . . . . . . 394 GLU HB . 26990 1 71 . 1 1 10 10 GLU HB3 H 1 1.953 0 . . . . . . . 394 GLU HB . 26990 1 72 . 1 1 10 10 GLU C C 13 176.178 0.019 . . . . . . . 394 GLU C . 26990 1 73 . 1 1 10 10 GLU CA C 13 56.489 0.069 . . . . . . . 394 GLU CA . 26990 1 74 . 1 1 10 10 GLU CB C 13 30.266 0.056 . . . . . . . 394 GLU CB . 26990 1 75 . 1 1 10 10 GLU CG C 13 36.041 0 . . . . . . . 394 GLU CG . 26990 1 76 . 1 1 10 10 GLU N N 15 122.812 0.051 . . . . . . . 394 GLU N . 26990 1 77 . 1 1 11 11 VAL H H 1 8.284 0.009 . . . . . . . 395 VAL HN . 26990 1 78 . 1 1 11 11 VAL HA H 1 4.02 0 . . . . . . . 395 VAL HA . 26990 1 79 . 1 1 11 11 VAL HB H 1 2.044 0 . . . . . . . 395 VAL HB . 26990 1 80 . 1 1 11 11 VAL C C 13 176.104 0.03 . . . . . . . 395 VAL C . 26990 1 81 . 1 1 11 11 VAL CA C 13 62.625 0.071 . . . . . . . 395 VAL CA . 26990 1 82 . 1 1 11 11 VAL CB C 13 32.597 0.01 . . . . . . . 395 VAL CB . 26990 1 83 . 1 1 11 11 VAL CG1 C 13 21.015 0 . . . . . . . 395 VAL CG1 . 26990 1 84 . 1 1 11 11 VAL CG2 C 13 21.015 0 . . . . . . . 395 VAL CG2 . 26990 1 85 . 1 1 11 11 VAL N N 15 122.714 0.05 . . . . . . . 395 VAL N . 26990 1 86 . 1 1 12 12 ILE H H 1 8.302 0.006 . . . . . . . 396 ILE HN . 26990 1 87 . 1 1 12 12 ILE HA H 1 4.079 0 . . . . . . . 396 ILE HA . 26990 1 88 . 1 1 12 12 ILE HB H 1 1.826 0 . . . . . . . 396 ILE HB . 26990 1 89 . 1 1 12 12 ILE CA C 13 61.147 0.068 . . . . . . . 396 ILE CA . 26990 1 90 . 1 1 12 12 ILE CB C 13 38.077 0 . . . . . . . 396 ILE CB . 26990 1 91 . 1 1 12 12 ILE N N 15 125.826 0.084 . . . . . . . 396 ILE N . 26990 1 92 . 1 1 13 13 ARG C C 13 175.913 0.04 . . . . . . . 397 ARG C . 26990 1 93 . 1 1 13 13 ARG CA C 13 56.171 0.089 . . . . . . . 397 ARG CA . 26990 1 94 . 1 1 13 13 ARG CB C 13 30.84 0.005 . . . . . . . 397 ARG CB . 26990 1 95 . 1 1 13 13 ARG CG C 13 27.892 0 . . . . . . . 397 ARG CG . 26990 1 96 . 1 1 13 13 ARG CD C 13 43.365 0 . . . . . . . 397 ARG CD . 26990 1 97 . 1 1 13 13 ARG N N 15 125.761 0 . . . . . . . 397 ARG N . 26990 1 98 . 1 1 14 14 ASN H H 1 8.43 0.005 . . . . . . . 398 ASN HN . 26990 1 99 . 1 1 14 14 ASN HA H 1 4.629 0 . . . . . . . 398 ASN HA . 26990 1 100 . 1 1 14 14 ASN HB2 H 1 2.766 0 . . . . . . . 398 ASN HB . 26990 1 101 . 1 1 14 14 ASN HB3 H 1 2.766 0 . . . . . . . 398 ASN HB . 26990 1 102 . 1 1 14 14 ASN C C 13 175.024 0.039 . . . . . . . 398 ASN C . 26990 1 103 . 1 1 14 14 ASN CA C 13 53.375 0.038 . . . . . . . 398 ASN CA . 26990 1 104 . 1 1 14 14 ASN CB C 13 38.798 0.072 . . . . . . . 398 ASN CB . 26990 1 105 . 1 1 14 14 ASN N N 15 119.965 0.046 . . . . . . . 398 ASN N . 26990 1 106 . 1 1 15 15 LYS H H 1 8.317 0.006 . . . . . . . 399 LYS HN . 26990 1 107 . 1 1 15 15 LYS HA H 1 4.243 0 . . . . . . . 399 LYS HA . 26990 1 108 . 1 1 15 15 LYS HB2 H 1 1.75 0 . . . . . . . 399 LYS HB . 26990 1 109 . 1 1 15 15 LYS HB3 H 1 1.75 0 . . . . . . . 399 LYS HB . 26990 1 110 . 1 1 15 15 LYS C C 13 176.405 0.035 . . . . . . . 399 LYS C . 26990 1 111 . 1 1 15 15 LYS CA C 13 56.641 0.059 . . . . . . . 399 LYS CA . 26990 1 112 . 1 1 15 15 LYS CB C 13 32.964 0.027 . . . . . . . 399 LYS CB . 26990 1 113 . 1 1 15 15 LYS CG C 13 24.849 0 . . . . . . . 399 LYS CG . 26990 1 114 . 1 1 15 15 LYS CD C 13 29.175 0 . . . . . . . 399 LYS CD . 26990 1 115 . 1 1 15 15 LYS CE C 13 42.121 0 . . . . . . . 399 LYS CE . 26990 1 116 . 1 1 15 15 LYS N N 15 122.043 0.077 . . . . . . . 399 LYS N . 26990 1 117 . 1 1 16 16 ILE H H 1 8.174 0.007 . . . . . . . 400 ILE HN . 26990 1 118 . 1 1 16 16 ILE HA H 1 4.077 0 . . . . . . . 400 ILE HA . 26990 1 119 . 1 1 16 16 ILE HB H 1 1.829 0 . . . . . . . 400 ILE HB . 26990 1 120 . 1 1 16 16 ILE C C 13 176.169 0.006 . . . . . . . 400 ILE C . 26990 1 121 . 1 1 16 16 ILE CA C 13 61.136 0.121 . . . . . . . 400 ILE CA . 26990 1 122 . 1 1 16 16 ILE CB C 13 38.237 0.055 . . . . . . . 400 ILE CB . 26990 1 123 . 1 1 16 16 ILE CG1 C 13 27.436 0 . . . . . . . 400 ILE CG1 . 26990 1 124 . 1 1 16 16 ILE CG2 C 13 17.476 0 . . . . . . . 400 ILE CG2 . 26990 1 125 . 1 1 16 16 ILE CD1 C 13 12.529 0 . . . . . . . 400 ILE CD . 26990 1 126 . 1 1 16 16 ILE N N 15 122.413 0.081 . . . . . . . 400 ILE N . 26990 1 127 . 1 1 17 17 ARG H H 1 8.492 0.009 . . . . . . . 401 ARG HN . 26990 1 128 . 1 1 17 17 ARG HA H 1 4.305 0 . . . . . . . 401 ARG HA . 26990 1 129 . 1 1 17 17 ARG HB2 H 1 1.723 0 . . . . . . . 401 ARG HB . 26990 1 130 . 1 1 17 17 ARG HB3 H 1 1.723 0 . . . . . . . 401 ARG HB . 26990 1 131 . 1 1 17 17 ARG C C 13 175.608 0.012 . . . . . . . 401 ARG C . 26990 1 132 . 1 1 17 17 ARG CA C 13 56.056 0.063 . . . . . . . 401 ARG CA . 26990 1 133 . 1 1 17 17 ARG CB C 13 30.882 0.103 . . . . . . . 401 ARG CB . 26990 1 134 . 1 1 17 17 ARG CG C 13 27.876 0 . . . . . . . 401 ARG CG . 26990 1 135 . 1 1 17 17 ARG CD C 13 43.465 0 . . . . . . . 401 ARG CD . 26990 1 136 . 1 1 17 17 ARG N N 15 125.886 0.135 . . . . . . . 401 ARG N . 26990 1 137 . 1 1 18 18 ALA H H 1 8.336 0.013 . . . . . . . 402 ALA HN . 26990 1 138 . 1 1 18 18 ALA HA H 1 4.289 0 . . . . . . . 402 ALA HA . 26990 1 139 . 1 1 18 18 ALA HB1 H 1 1.357 0 . . . . . . . 402 ALA HB . 26990 1 140 . 1 1 18 18 ALA HB2 H 1 1.357 0 . . . . . . . 402 ALA HB . 26990 1 141 . 1 1 18 18 ALA HB3 H 1 1.357 0 . . . . . . . 402 ALA HB . 26990 1 142 . 1 1 18 18 ALA C C 13 177.6 0.017 . . . . . . . 402 ALA C . 26990 1 143 . 1 1 18 18 ALA CA C 13 52.439 0.116 . . . . . . . 402 ALA CA . 26990 1 144 . 1 1 18 18 ALA CB C 13 19.181 0.057 . . . . . . . 402 ALA CB . 26990 1 145 . 1 1 18 18 ALA N N 15 126.115 0.11 . . . . . . . 402 ALA N . 26990 1 146 . 1 1 19 19 ILE H H 1 8.172 0.008 . . . . . . . 403 ILE HN . 26990 1 147 . 1 1 19 19 ILE HA H 1 4.119 0 . . . . . . . 403 ILE HA . 26990 1 148 . 1 1 19 19 ILE HB H 1 1.852 0 . . . . . . . 403 ILE HB . 26990 1 149 . 1 1 19 19 ILE C C 13 176.719 0.004 . . . . . . . 403 ILE C . 26990 1 150 . 1 1 19 19 ILE CA C 13 61.313 0.092 . . . . . . . 403 ILE CA . 26990 1 151 . 1 1 19 19 ILE CB C 13 38.784 0.16 . . . . . . . 403 ILE CB . 26990 1 152 . 1 1 19 19 ILE CG1 C 13 27.268 0 . . . . . . . 403 ILE CG1 . 26990 1 153 . 1 1 19 19 ILE CG2 C 13 17.517 0 . . . . . . . 403 ILE CG2 . 26990 1 154 . 1 1 19 19 ILE CD1 C 13 13.052 0 . . . . . . . 403 ILE CD . 26990 1 155 . 1 1 19 19 ILE N N 15 120.774 0.059 . . . . . . . 403 ILE N . 26990 1 156 . 1 1 20 20 GLY H H 1 8.466 0.005 . . . . . . . 404 GLY HN . 26990 1 157 . 1 1 20 20 GLY C C 13 173.995 0.007 . . . . . . . 404 GLY C . 26990 1 158 . 1 1 20 20 GLY CA C 13 45.246 0.064 . . . . . . . 404 GLY CA . 26990 1 159 . 1 1 20 20 GLY N N 15 112.624 0.05 . . . . . . . 404 GLY N . 26990 1 160 . 1 1 21 21 LYS H H 1 8.285 0.007 . . . . . . . 405 LYS HN . 26990 1 161 . 1 1 21 21 LYS HA H 1 4.275 0 . . . . . . . 405 LYS HA . 26990 1 162 . 1 1 21 21 LYS C C 13 176.695 0.017 . . . . . . . 405 LYS C . 26990 1 163 . 1 1 21 21 LYS CA C 13 56.392 0.115 . . . . . . . 405 LYS CA . 26990 1 164 . 1 1 21 21 LYS CB C 13 33 0.094 . . . . . . . 405 LYS CB . 26990 1 165 . 1 1 21 21 LYS CG C 13 24.775 0 . . . . . . . 405 LYS CG . 26990 1 166 . 1 1 21 21 LYS CD C 13 29.096 0 . . . . . . . 405 LYS CD . 26990 1 167 . 1 1 21 21 LYS CE C 13 42.147 0 . . . . . . . 405 LYS CE . 26990 1 168 . 1 1 21 21 LYS N N 15 121.237 0.029 . . . . . . . 405 LYS N . 26990 1 169 . 1 1 22 22 MET H H 1 8.381 0.004 . . . . . . . 406 MET HN . 26990 1 170 . 1 1 22 22 MET C C 13 175.779 0.009 . . . . . . . 406 MET C . 26990 1 171 . 1 1 22 22 MET CA C 13 55.294 0.079 . . . . . . . 406 MET CA . 26990 1 172 . 1 1 22 22 MET CB C 13 32.66 0.05 . . . . . . . 406 MET CB . 26990 1 173 . 1 1 22 22 MET CG C 13 32.255 0 . . . . . . . 406 MET CG . 26990 1 174 . 1 1 22 22 MET N N 15 121.076 0.058 . . . . . . . 406 MET N . 26990 1 175 . 1 1 23 23 ALA H H 1 8.255 0.003 . . . . . . . 407 ALA HN . 26990 1 176 . 1 1 23 23 ALA C C 13 177.348 0.02 . . . . . . . 407 ALA C . 26990 1 177 . 1 1 23 23 ALA CA C 13 52.391 0.057 . . . . . . . 407 ALA CA . 26990 1 178 . 1 1 23 23 ALA CB C 13 19.181 0 . . . . . . . 407 ALA CB . 26990 1 179 . 1 1 23 23 ALA N N 15 125.392 0.036 . . . . . . . 407 ALA N . 26990 1 180 . 1 1 24 24 ARG H H 1 8.183 0.004 . . . . . . . 408 ARG HN . 26990 1 181 . 1 1 24 24 ARG C C 13 175.813 0.006 . . . . . . . 408 ARG C . 26990 1 182 . 1 1 24 24 ARG CA C 13 56.115 0.086 . . . . . . . 408 ARG CA . 26990 1 183 . 1 1 24 24 ARG CB C 13 30.877 0 . . . . . . . 408 ARG CB . 26990 1 184 . 1 1 24 24 ARG CD C 13 43.426 0 . . . . . . . 408 ARG CD . 26990 1 185 . 1 1 24 24 ARG N N 15 120.612 0.017 . . . . . . . 408 ARG N . 26990 1 186 . 1 1 25 25 VAL H H 1 8.101 0.002 . . . . . . . 409 VAL HN . 26990 1 187 . 1 1 25 25 VAL C C 13 175.611 0.028 . . . . . . . 409 VAL C . 26990 1 188 . 1 1 25 25 VAL CA C 13 62.126 0.049 . . . . . . . 409 VAL CA . 26990 1 189 . 1 1 25 25 VAL CB C 13 32.82 0 . . . . . . . 409 VAL CB . 26990 1 190 . 1 1 25 25 VAL CG1 C 13 20.81 0 . . . . . . . 409 VAL CG1 . 26990 1 191 . 1 1 25 25 VAL CG2 C 13 20.81 0 . . . . . . . 409 VAL CG2 . 26990 1 192 . 1 1 25 25 VAL N N 15 121.527 0.029 . . . . . . . 409 VAL N . 26990 1 193 . 1 1 26 26 PHE H H 1 8.409 0.006 . . . . . . . 410 PHE HN . 26990 1 194 . 1 1 26 26 PHE C C 13 175.324 0.069 . . . . . . . 410 PHE C . 26990 1 195 . 1 1 26 26 PHE CA C 13 57.682 0.077 . . . . . . . 410 PHE CA . 26990 1 196 . 1 1 26 26 PHE CB C 13 39.888 0.107 . . . . . . . 410 PHE CB . 26990 1 197 . 1 1 26 26 PHE N N 15 124.353 0.131 . . . . . . . 410 PHE N . 26990 1 198 . 1 1 27 27 SER H H 1 8.209 0.005 . . . . . . . 411 SER HN . 26990 1 199 . 1 1 27 27 SER HA H 1 4.427 0 . . . . . . . 411 SER HA . 26990 1 200 . 1 1 27 27 SER HB2 H 1 3.753 0 . . . . . . . 411 SER HB . 26990 1 201 . 1 1 27 27 SER HB3 H 1 3.753 0 . . . . . . . 411 SER HB . 26990 1 202 . 1 1 27 27 SER C C 13 173.96 0.003 . . . . . . . 411 SER C . 26990 1 203 . 1 1 27 27 SER CA C 13 57.913 0.114 . . . . . . . 411 SER CA . 26990 1 204 . 1 1 27 27 SER CB C 13 63.949 0 . . . . . . . 411 SER CB . 26990 1 205 . 1 1 27 27 SER N N 15 117.884 0.126 . . . . . . . 411 SER N . 26990 1 206 . 1 1 28 28 VAL H H 1 8.174 0.005 . . . . . . . 412 VAL HN . 26990 1 207 . 1 1 28 28 VAL HA H 1 4.34 0 . . . . . . . 412 VAL HA . 26990 1 208 . 1 1 28 28 VAL C C 13 175.865 0.019 . . . . . . . 412 VAL C . 26990 1 209 . 1 1 28 28 VAL CA C 13 62.522 0.129 . . . . . . . 412 VAL CA . 26990 1 210 . 1 1 28 28 VAL CB C 13 32.587 0 . . . . . . . 412 VAL CB . 26990 1 211 . 1 1 28 28 VAL CG1 C 13 20.996 0 . . . . . . . 412 VAL CG1 . 26990 1 212 . 1 1 28 28 VAL CG2 C 13 20.996 0 . . . . . . . 412 VAL CG2 . 26990 1 213 . 1 1 28 28 VAL N N 15 121.917 0.028 . . . . . . . 412 VAL N . 26990 1 214 . 1 1 29 29 LEU H H 1 8.29 0.006 . . . . . . . 413 LEU HN . 26990 1 215 . 1 1 29 29 LEU C C 13 177.01 0.034 . . . . . . . 413 LEU C . 26990 1 216 . 1 1 29 29 LEU CA C 13 55.149 0.04 . . . . . . . 413 LEU CA . 26990 1 217 . 1 1 29 29 LEU CB C 13 42.201 0 . . . . . . . 413 LEU CB . 26990 1 218 . 1 1 29 29 LEU CG C 13 27.006 0 . . . . . . . 413 LEU CG . 26990 1 219 . 1 1 29 29 LEU CD1 C 13 23.589 0 . . . . . . . 413 LEU CD . 26990 1 220 . 1 1 29 29 LEU CD2 C 13 23.589 0 . . . . . . . 413 LEU CD . 26990 1 221 . 1 1 29 29 LEU N N 15 125.601 0.073 . . . . . . . 413 LEU N . 26990 1 222 . 1 1 30 30 ARG H H 1 8.342 0.009 . . . . . . . 414 ARG HN . 26990 1 223 . 1 1 30 30 ARG HA H 1 4.193 0 . . . . . . . 414 ARG HA . 26990 1 224 . 1 1 30 30 ARG HB2 H 1 1.871 0 . . . . . . . 414 ARG HB . 26990 1 225 . 1 1 30 30 ARG HB3 H 1 1.871 0 . . . . . . . 414 ARG HB . 26990 1 226 . 1 1 30 30 ARG C C 13 176.022 0.027 . . . . . . . 414 ARG C . 26990 1 227 . 1 1 30 30 ARG CA C 13 56.487 0.05 . . . . . . . 414 ARG CA . 26990 1 228 . 1 1 30 30 ARG CB C 13 30.83 0 . . . . . . . 414 ARG CB . 26990 1 229 . 1 1 30 30 ARG CD C 13 43.348 0 . . . . . . . 414 ARG CD . 26990 1 230 . 1 1 30 30 ARG N N 15 122.611 0.045 . . . . . . . 414 ARG N . 26990 1 231 . 1 1 31 31 GLU H H 1 8.575 0.021 . . . . . . . 415 GLU HN . 26990 1 232 . 1 1 31 31 GLU HA H 1 4.364 0 . . . . . . . 415 GLU HA . 26990 1 233 . 1 1 31 31 GLU HB2 H 1 2.036 0 . . . . . . . 415 GLU HB . 26990 1 234 . 1 1 31 31 GLU HB3 H 1 2.036 0 . . . . . . . 415 GLU HB . 26990 1 235 . 1 1 31 31 GLU C C 13 176.544 0.022 . . . . . . . 415 GLU C . 26990 1 236 . 1 1 31 31 GLU CA C 13 56.624 0.111 . . . . . . . 415 GLU CA . 26990 1 237 . 1 1 31 31 GLU CB C 13 30.051 0.114 . . . . . . . 415 GLU CB . 26990 1 238 . 1 1 31 31 GLU CG C 13 36.243 0 . . . . . . . 415 GLU CG . 26990 1 239 . 1 1 31 31 GLU N N 15 122.522 0.066 . . . . . . . 415 GLU N . 26990 1 240 . 1 1 32 32 GLU H H 1 8.572 0.022 . . . . . . . 416 GLU HN . 26990 1 241 . 1 1 32 32 GLU HA H 1 4.377 0 . . . . . . . 416 GLU HA . 26990 1 242 . 1 1 32 32 GLU HB2 H 1 2.032 0 . . . . . . . 416 GLU HB . 26990 1 243 . 1 1 32 32 GLU HB3 H 1 2.032 0 . . . . . . . 416 GLU HB . 26990 1 244 . 1 1 32 32 GLU C C 13 176.514 0.015 . . . . . . . 416 GLU C . 26990 1 245 . 1 1 32 32 GLU CA C 13 56.649 0.12 . . . . . . . 416 GLU CA . 26990 1 246 . 1 1 32 32 GLU CB C 13 29.966 0.103 . . . . . . . 416 GLU CB . 26990 1 247 . 1 1 32 32 GLU CG C 13 36.165 0 . . . . . . . 416 GLU CG . 26990 1 248 . 1 1 32 32 GLU N N 15 122.104 0.074 . . . . . . . 416 GLU N . 26990 1 249 . 1 1 33 33 SER H H 1 8.369 0.011 . . . . . . . 417 SER HN . 26990 1 250 . 1 1 33 33 SER HA H 1 4.443 0 . . . . . . . 417 SER HA . 26990 1 251 . 1 1 33 33 SER HB2 H 1 3.856 0 . . . . . . . 417 SER HB . 26990 1 252 . 1 1 33 33 SER HB3 H 1 3.856 0 . . . . . . . 417 SER HB . 26990 1 253 . 1 1 33 33 SER C C 13 174.592 0.019 . . . . . . . 417 SER C . 26990 1 254 . 1 1 33 33 SER CA C 13 58.586 0.089 . . . . . . . 417 SER CA . 26990 1 255 . 1 1 33 33 SER CB C 13 63.914 0 . . . . . . . 417 SER CB . 26990 1 256 . 1 1 33 33 SER N N 15 116.55 0.023 . . . . . . . 417 SER N . 26990 1 257 . 1 1 34 34 GLU H H 1 8.476 0.006 . . . . . . . 418 GLU HN . 26990 1 258 . 1 1 34 34 GLU C C 13 176.624 0.03 . . . . . . . 418 GLU C . 26990 1 259 . 1 1 34 34 GLU CA C 13 56.772 0.121 . . . . . . . 418 GLU CA . 26990 1 260 . 1 1 34 34 GLU CB C 13 30.138 0.06 . . . . . . . 418 GLU CB . 26990 1 261 . 1 1 34 34 GLU CG C 13 36.202 0 . . . . . . . 418 GLU CG . 26990 1 262 . 1 1 34 34 GLU N N 15 122.698 0.031 . . . . . . . 418 GLU N . 26990 1 263 . 1 1 35 35 SER H H 1 8.368 0.012 . . . . . . . 419 SER HN . 26990 1 264 . 1 1 35 35 SER HA H 1 4.446 0 . . . . . . . 419 SER HA . 26990 1 265 . 1 1 35 35 SER HB2 H 1 3.854 0 . . . . . . . 419 SER HB . 26990 1 266 . 1 1 35 35 SER HB3 H 1 3.854 0 . . . . . . . 419 SER HB . 26990 1 267 . 1 1 35 35 SER C C 13 174.758 0.002 . . . . . . . 419 SER C . 26990 1 268 . 1 1 35 35 SER CA C 13 58.636 0.119 . . . . . . . 419 SER CA . 26990 1 269 . 1 1 35 35 SER CB C 13 63.808 0.089 . . . . . . . 419 SER CB . 26990 1 270 . 1 1 35 35 SER N N 15 116.691 0.063 . . . . . . . 419 SER N . 26990 1 271 . 1 1 36 36 VAL H H 1 8.121 0.025 . . . . . . . 420 VAL HN . 26990 1 272 . 1 1 36 36 VAL HA H 1 4.219 0 . . . . . . . 420 VAL HA . 26990 1 273 . 1 1 36 36 VAL HB H 1 1.777 0 . . . . . . . 420 VAL HB . 26990 1 274 . 1 1 36 36 VAL C C 13 176.349 0.007 . . . . . . . 420 VAL C . 26990 1 275 . 1 1 36 36 VAL CA C 13 63.036 0.027 . . . . . . . 420 VAL CA . 26990 1 276 . 1 1 36 36 VAL CB C 13 32.372 0 . . . . . . . 420 VAL CB . 26990 1 277 . 1 1 36 36 VAL CG1 C 13 20.908 0 . . . . . . . 420 VAL CG1 . 26990 1 278 . 1 1 36 36 VAL CG2 C 13 20.908 0 . . . . . . . 420 VAL CG2 . 26990 1 279 . 1 1 36 36 VAL N N 15 121.836 0.086 . . . . . . . 420 VAL N . 26990 1 280 . 1 1 37 37 LEU H H 1 8.234 0.009 . . . . . . . 421 LEU HN . 26990 1 281 . 1 1 37 37 LEU HA H 1 4.22 0 . . . . . . . 421 LEU HA . 26990 1 282 . 1 1 37 37 LEU C C 13 177.721 0.01 . . . . . . . 421 LEU C . 26990 1 283 . 1 1 37 37 LEU CA C 13 55.721 0.061 . . . . . . . 421 LEU CA . 26990 1 284 . 1 1 37 37 LEU CB C 13 42.247 0 . . . . . . . 421 LEU CB . 26990 1 285 . 1 1 37 37 LEU CG C 13 26.982 0 . . . . . . . 421 LEU CG . 26990 1 286 . 1 1 37 37 LEU CD1 C 13 24.899 0 . . . . . . . 421 LEU CD . 26990 1 287 . 1 1 37 37 LEU CD2 C 13 24.899 0 . . . . . . . 421 LEU CD . 26990 1 288 . 1 1 37 37 LEU N N 15 124.286 0.061 . . . . . . . 421 LEU N . 26990 1 289 . 1 1 38 38 THR H H 1 8.08 0.003 . . . . . . . 422 THR HN . 26990 1 290 . 1 1 38 38 THR C C 13 174.657 0.008 . . . . . . . 422 THR C . 26990 1 291 . 1 1 38 38 THR CA C 13 62.296 0.12 . . . . . . . 422 THR CA . 26990 1 292 . 1 1 38 38 THR CB C 13 69.733 0.158 . . . . . . . 422 THR CB . 26990 1 293 . 1 1 38 38 THR CG2 C 13 21.628 0 . . . . . . . 422 THR CG2 . 26990 1 294 . 1 1 38 38 THR N N 15 115.197 0.047 . . . . . . . 422 THR N . 26990 1 295 . 1 1 39 39 LEU H H 1 8.174 0.004 . . . . . . . 423 LEU HN . 26990 1 296 . 1 1 39 39 LEU C C 13 177.386 0.006 . . . . . . . 423 LEU C . 26990 1 297 . 1 1 39 39 LEU CA C 13 55.503 0.067 . . . . . . . 423 LEU CA . 26990 1 298 . 1 1 39 39 LEU CB C 13 42.199 0 . . . . . . . 423 LEU CB . 26990 1 299 . 1 1 39 39 LEU CG C 13 26.93 0 . . . . . . . 423 LEU CG . 26990 1 300 . 1 1 39 39 LEU CD1 C 13 24.904 0 . . . . . . . 423 LEU CD . 26990 1 301 . 1 1 39 39 LEU CD2 C 13 24.904 0 . . . . . . . 423 LEU CD . 26990 1 302 . 1 1 39 39 LEU N N 15 124.344 0.027 . . . . . . . 423 LEU N . 26990 1 303 . 1 1 40 40 LYS H H 1 8.227 0.022 . . . . . . . 424 LYS HN . 26990 1 304 . 1 1 40 40 LYS HA H 1 4.383 0 . . . . . . . 424 LYS HA . 26990 1 305 . 1 1 40 40 LYS HB2 H 1 1.613 0 . . . . . . . 424 LYS HB . 26990 1 306 . 1 1 40 40 LYS HB3 H 1 1.613 0 . . . . . . . 424 LYS HB . 26990 1 307 . 1 1 40 40 LYS C C 13 176.877 0.004 . . . . . . . 424 LYS C . 26990 1 308 . 1 1 40 40 LYS CA C 13 56.625 0.073 . . . . . . . 424 LYS CA . 26990 1 309 . 1 1 40 40 LYS CB C 13 32.926 0 . . . . . . . 424 LYS CB . 26990 1 310 . 1 1 40 40 LYS CG C 13 24.829 0 . . . . . . . 424 LYS CG . 26990 1 311 . 1 1 40 40 LYS CD C 13 29.085 0 . . . . . . . 424 LYS CD . 26990 1 312 . 1 1 40 40 LYS CE C 13 42.143 0 . . . . . . . 424 LYS CE . 26990 1 313 . 1 1 40 40 LYS N N 15 121.56 0.057 . . . . . . . 424 LYS N . 26990 1 314 . 1 1 41 41 GLY H H 1 8.317 0.024 . . . . . . . 425 GLY HN . 26990 1 315 . 1 1 41 41 GLY HA2 H 1 3.878 0 . . . . . . . 425 GLY HA . 26990 1 316 . 1 1 41 41 GLY HA3 H 1 3.878 0 . . . . . . . 425 GLY HA . 26990 1 317 . 1 1 41 41 GLY C C 13 173.777 0.002 . . . . . . . 425 GLY C . 26990 1 318 . 1 1 41 41 GLY CA C 13 45.264 0.073 . . . . . . . 425 GLY CA . 26990 1 319 . 1 1 41 41 GLY N N 15 109.53 0.05 . . . . . . . 425 GLY N . 26990 1 320 . 1 1 42 42 LEU H H 1 8.069 0.005 . . . . . . . 426 LEU HN . 26990 1 321 . 1 1 42 42 LEU C C 13 177.279 0.014 . . . . . . . 426 LEU C . 26990 1 322 . 1 1 42 42 LEU CA C 13 54.941 0.045 . . . . . . . 426 LEU CA . 26990 1 323 . 1 1 42 42 LEU CB C 13 42.924 0.223 . . . . . . . 426 LEU CB . 26990 1 324 . 1 1 42 42 LEU CG C 13 26.907 0 . . . . . . . 426 LEU CG . 26990 1 325 . 1 1 42 42 LEU CD1 C 13 24.942 0 . . . . . . . 426 LEU CD . 26990 1 326 . 1 1 42 42 LEU CD2 C 13 24.942 0 . . . . . . . 426 LEU CD . 26990 1 327 . 1 1 42 42 LEU N N 15 121.305 0.046 . . . . . . . 426 LEU N . 26990 1 328 . 1 1 43 43 THR H H 1 8.268 0.008 . . . . . . . 427 THR HN . 26990 1 329 . 1 1 43 43 THR HA H 1 4.6 0 . . . . . . . 427 THR HA . 26990 1 330 . 1 1 43 43 THR C C 13 172.851 0.002 . . . . . . . 427 THR C . 26990 1 331 . 1 1 43 43 THR CA C 13 59.981 0 . . . . . . . 427 THR CA . 26990 1 332 . 1 1 43 43 THR CB C 13 69.574 0 . . . . . . . 427 THR CB . 26990 1 333 . 1 1 43 43 THR N N 15 117.558 0.037 . . . . . . . 427 THR N . 26990 1 334 . 1 1 44 44 PRO C C 13 177.05 0.005 . . . . . . . 428 PRO C . 26990 1 335 . 1 1 44 44 PRO CA C 13 63.458 0.041 . . . . . . . 428 PRO CA . 26990 1 336 . 1 1 44 44 PRO CB C 13 32.216 0.057 . . . . . . . 428 PRO CB . 26990 1 337 . 1 1 44 44 PRO CG C 13 27.507 0 . . . . . . . 428 PRO CG . 26990 1 338 . 1 1 44 44 PRO CD C 13 51.164 0 . . . . . . . 428 PRO CD . 26990 1 339 . 1 1 44 44 PRO N N 15 106.698 0.024 . . . . . . . 428 PRO N . 26990 1 340 . 1 1 45 45 THR H H 1 8.254 0.006 . . . . . . . 429 THR HN . 26990 1 341 . 1 1 45 45 THR HA H 1 4.369 0 . . . . . . . 429 THR HA . 26990 1 342 . 1 1 45 45 THR HB H 1 4.222 0 . . . . . . . 429 THR HB . 26990 1 343 . 1 1 45 45 THR C C 13 175.154 0.007 . . . . . . . 429 THR C . 26990 1 344 . 1 1 45 45 THR CA C 13 62.167 0.114 . . . . . . . 429 THR CA . 26990 1 345 . 1 1 45 45 THR CB C 13 69.911 0.174 . . . . . . . 429 THR CB . 26990 1 346 . 1 1 45 45 THR CG2 C 13 21.544 0 . . . . . . . 429 THR CG2 . 26990 1 347 . 1 1 45 45 THR N N 15 113.791 0.056 . . . . . . . 429 THR N . 26990 1 348 . 1 1 46 46 GLY H H 1 8.436 0.009 . . . . . . . 430 GLY HN . 26990 1 349 . 1 1 46 46 GLY HA2 H 1 3.947 0 . . . . . . . 430 GLY HA . 26990 1 350 . 1 1 46 46 GLY HA3 H 1 3.947 0 . . . . . . . 430 GLY HA . 26990 1 351 . 1 1 46 46 GLY C C 13 173.681 0.012 . . . . . . . 430 GLY C . 26990 1 352 . 1 1 46 46 GLY CA C 13 45.313 0.082 . . . . . . . 430 GLY CA . 26990 1 353 . 1 1 46 46 GLY N N 15 111.157 0.068 . . . . . . . 430 GLY N . 26990 1 354 . 1 1 47 47 MET H H 1 8.125 0.009 . . . . . . . 431 MET HN . 26990 1 355 . 1 1 47 47 MET HA H 1 4.471 0 . . . . . . . 431 MET HA . 26990 1 356 . 1 1 47 47 MET HB2 H 1 1.97 0 . . . . . . . 431 MET HB . 26990 1 357 . 1 1 47 47 MET HB3 H 1 1.97 0 . . . . . . . 431 MET HB . 26990 1 358 . 1 1 47 47 MET C C 13 175.863 0.012 . . . . . . . 431 MET C . 26990 1 359 . 1 1 47 47 MET CA C 13 55.195 0.03 . . . . . . . 431 MET CA . 26990 1 360 . 1 1 47 47 MET CB C 13 33.069 0.094 . . . . . . . 431 MET CB . 26990 1 361 . 1 1 47 47 MET CG C 13 31.933 0 . . . . . . . 431 MET CG . 26990 1 362 . 1 1 47 47 MET N N 15 119.634 0.046 . . . . . . . 431 MET N . 26990 1 363 . 1 1 48 48 LEU H H 1 8.379 0.006 . . . . . . . 432 LEU HN . 26990 1 364 . 1 1 48 48 LEU HA H 1 4.369 0 . . . . . . . 432 LEU HA . 26990 1 365 . 1 1 48 48 LEU HB2 H 1 1.606 0 . . . . . . . 432 LEU HB . 26990 1 366 . 1 1 48 48 LEU HB3 H 1 1.606 0 . . . . . . . 432 LEU HB . 26990 1 367 . 1 1 48 48 LEU C C 13 175.236 0 . . . . . . . 432 LEU C . 26990 1 368 . 1 1 48 48 LEU CA C 13 55.245 0.077 . . . . . . . 432 LEU CA . 26990 1 369 . 1 1 48 48 LEU CB C 13 41.755 0 . . . . . . . 432 LEU CB . 26990 1 370 . 1 1 48 48 LEU N N 15 125.157 0.077 . . . . . . . 432 LEU N . 26990 1 371 . 1 1 49 49 PRO C C 13 176.748 0.008 . . . . . . . 433 PRO C . 26990 1 372 . 1 1 49 49 PRO CA C 13 63.227 0.036 . . . . . . . 433 PRO CA . 26990 1 373 . 1 1 49 49 PRO CB C 13 32.026 0.033 . . . . . . . 433 PRO CB . 26990 1 374 . 1 1 49 49 PRO CG C 13 27.442 0 . . . . . . . 433 PRO CG . 26990 1 375 . 1 1 49 49 PRO CD C 13 50.621 0 . . . . . . . 433 PRO CD . 26990 1 376 . 1 1 49 49 PRO N N 15 104.169 0.01 . . . . . . . 433 PRO N . 26990 1 377 . 1 1 50 50 SER H H 1 8.369 0.003 . . . . . . . 434 SER HN . 26990 1 378 . 1 1 50 50 SER HA H 1 4.34 0 . . . . . . . 434 SER HA . 26990 1 379 . 1 1 50 50 SER C C 13 175.177 0.007 . . . . . . . 434 SER C . 26990 1 380 . 1 1 50 50 SER CA C 13 58.516 0.048 . . . . . . . 434 SER CA . 26990 1 381 . 1 1 50 50 SER CB C 13 63.893 0.064 . . . . . . . 434 SER CB . 26990 1 382 . 1 1 50 50 SER N N 15 115.514 0.058 . . . . . . . 434 SER N . 26990 1 383 . 1 1 51 51 GLY H H 1 8.481 0.012 . . . . . . . 435 GLY HN . 26990 1 384 . 1 1 51 51 GLY HA2 H 1 3.964 0 . . . . . . . 435 GLY HA . 26990 1 385 . 1 1 51 51 GLY HA3 H 1 3.964 0 . . . . . . . 435 GLY HA . 26990 1 386 . 1 1 51 51 GLY C C 13 173.973 0 . . . . . . . 435 GLY C . 26990 1 387 . 1 1 51 51 GLY CA C 13 45.361 0.072 . . . . . . . 435 GLY CA . 26990 1 388 . 1 1 51 51 GLY N N 15 111.089 0.085 . . . . . . . 435 GLY N . 26990 1 389 . 1 1 52 52 VAL H H 1 7.926 0.013 . . . . . . . 436 VAL HN . 26990 1 390 . 1 1 52 52 VAL HA H 1 4.118 0 . . . . . . . 436 VAL HA . 26990 1 391 . 1 1 52 52 VAL HB H 1 2.074 0 . . . . . . . 436 VAL HB . 26990 1 392 . 1 1 52 52 VAL C C 13 176.172 0.017 . . . . . . . 436 VAL C . 26990 1 393 . 1 1 52 52 VAL CA C 13 62.444 0.053 . . . . . . . 436 VAL CA . 26990 1 394 . 1 1 52 52 VAL CB C 13 32.632 0.051 . . . . . . . 436 VAL CB . 26990 1 395 . 1 1 52 52 VAL CG1 C 13 20.923 0 . . . . . . . 436 VAL CG1 . 26990 1 396 . 1 1 52 52 VAL CG2 C 13 20.923 0 . . . . . . . 436 VAL CG2 . 26990 1 397 . 1 1 52 52 VAL N N 15 119.439 0.028 . . . . . . . 436 VAL N . 26990 1 398 . 1 1 53 53 LEU H H 1 8.412 0.008 . . . . . . . 437 LEU HN . 26990 1 399 . 1 1 53 53 LEU HA H 1 4.349 0 . . . . . . . 437 LEU HA . 26990 1 400 . 1 1 53 53 LEU HB2 H 1 1.64 0 . . . . . . . 437 LEU HB . 26990 1 401 . 1 1 53 53 LEU HB3 H 1 1.64 0 . . . . . . . 437 LEU HB . 26990 1 402 . 1 1 53 53 LEU C C 13 177.345 0.009 . . . . . . . 437 LEU C . 26990 1 403 . 1 1 53 53 LEU CA C 13 55.054 0.06 . . . . . . . 437 LEU CA . 26990 1 404 . 1 1 53 53 LEU CB C 13 42.22 0.042 . . . . . . . 437 LEU CB . 26990 1 405 . 1 1 53 53 LEU CG C 13 26.931 0 . . . . . . . 437 LEU CG . 26990 1 406 . 1 1 53 53 LEU CD1 C 13 24.947 0 . . . . . . . 437 LEU CD . 26990 1 407 . 1 1 53 53 LEU CD2 C 13 24.947 0 . . . . . . . 437 LEU CD . 26990 1 408 . 1 1 53 53 LEU N N 15 125.684 0.073 . . . . . . . 437 LEU N . 26990 1 409 . 1 1 54 54 SER H H 1 8.328 0.007 . . . . . . . 438 SER HN . 26990 1 410 . 1 1 54 54 SER HA H 1 4.352 0 . . . . . . . 438 SER HA . 26990 1 411 . 1 1 54 54 SER HB2 H 1 3.843 0 . . . . . . . 438 SER HB . 26990 1 412 . 1 1 54 54 SER HB3 H 1 3.843 0 . . . . . . . 438 SER HB . 26990 1 413 . 1 1 54 54 SER C C 13 174.992 0.008 . . . . . . . 438 SER C . 26990 1 414 . 1 1 54 54 SER CA C 13 58.451 0.058 . . . . . . . 438 SER CA . 26990 1 415 . 1 1 54 54 SER CB C 13 63.828 0.008 . . . . . . . 438 SER CB . 26990 1 416 . 1 1 54 54 SER N N 15 116.752 0.06 . . . . . . . 438 SER N . 26990 1 417 . 1 1 55 55 GLY H H 1 8.495 0.006 . . . . . . . 439 GLY HN . 26990 1 418 . 1 1 55 55 GLY HA2 H 1 3.98 0 . . . . . . . 439 GLY HA . 26990 1 419 . 1 1 55 55 GLY HA3 H 1 3.98 0 . . . . . . . 439 GLY HA . 26990 1 420 . 1 1 55 55 GLY C C 13 174.593 0.007 . . . . . . . 439 GLY C . 26990 1 421 . 1 1 55 55 GLY CA C 13 45.4 0.132 . . . . . . . 439 GLY CA . 26990 1 422 . 1 1 55 55 GLY N N 15 111.118 0.055 . . . . . . . 439 GLY N . 26990 1 423 . 1 1 56 56 GLY H H 1 8.298 0.009 . . . . . . . 440 GLY HN . 26990 1 424 . 1 1 56 56 GLY HA2 H 1 3.952 0 . . . . . . . 440 GLY HA . 26990 1 425 . 1 1 56 56 GLY HA3 H 1 3.952 0 . . . . . . . 440 GLY HA . 26990 1 426 . 1 1 56 56 GLY C C 13 173.977 0.005 . . . . . . . 440 GLY C . 26990 1 427 . 1 1 56 56 GLY CA C 13 45.147 0.062 . . . . . . . 440 GLY CA . 26990 1 428 . 1 1 56 56 GLY N N 15 108.605 0.028 . . . . . . . 440 GLY N . 26990 1 429 . 1 1 57 57 LYS H H 1 8.235 0.008 . . . . . . . 441 LYS HN . 26990 1 430 . 1 1 57 57 LYS HA H 1 4.294 0 . . . . . . . 441 LYS HA . 26990 1 431 . 1 1 57 57 LYS C C 13 176.523 0 . . . . . . . 441 LYS C . 26990 1 432 . 1 1 57 57 LYS CA C 13 56.326 0.091 . . . . . . . 441 LYS CA . 26990 1 433 . 1 1 57 57 LYS CB C 13 33.07 0.038 . . . . . . . 441 LYS CB . 26990 1 434 . 1 1 57 57 LYS CG C 13 24.796 0 . . . . . . . 441 LYS CG . 26990 1 435 . 1 1 57 57 LYS CD C 13 29.052 0 . . . . . . . 441 LYS CD . 26990 1 436 . 1 1 57 57 LYS CE C 13 42.175 0 . . . . . . . 441 LYS CE . 26990 1 437 . 1 1 57 57 LYS N N 15 120.817 0.042 . . . . . . . 441 LYS N . 26990 1 438 . 1 1 58 58 GLN H H 1 8.561 0.008 . . . . . . . 442 GLN HN . 26990 1 439 . 1 1 58 58 GLN HA H 1 4.291 0 . . . . . . . 442 GLN HA . 26990 1 440 . 1 1 58 58 GLN C C 13 175.964 0.005 . . . . . . . 442 GLN C . 26990 1 441 . 1 1 58 58 GLN CA C 13 55.88 0.071 . . . . . . . 442 GLN CA . 26990 1 442 . 1 1 58 58 GLN CB C 13 29.539 0.043 . . . . . . . 442 GLN CB . 26990 1 443 . 1 1 58 58 GLN CG C 13 33.869 0 . . . . . . . 442 GLN CG . 26990 1 444 . 1 1 58 58 GLN N N 15 121.913 0.064 . . . . . . . 442 GLN N . 26990 1 445 . 1 1 59 59 THR H H 1 8.28 0.004 . . . . . . . 443 THR HN . 26990 1 446 . 1 1 59 59 THR HA H 1 4.302 0 . . . . . . . 443 THR HA . 26990 1 447 . 1 1 59 59 THR C C 13 174.284 0.003 . . . . . . . 443 THR C . 26990 1 448 . 1 1 59 59 THR CA C 13 61.89 0.032 . . . . . . . 443 THR CA . 26990 1 449 . 1 1 59 59 THR CB C 13 69.87 0.233 . . . . . . . 443 THR CB . 26990 1 450 . 1 1 59 59 THR CG2 C 13 21.638 0 . . . . . . . 443 THR CG2 . 26990 1 451 . 1 1 59 59 THR N N 15 116.478 0.064 . . . . . . . 443 THR N . 26990 1 452 . 1 1 60 60 LEU H H 1 8.379 0.006 . . . . . . . 444 LEU HN . 26990 1 453 . 1 1 60 60 LEU HA H 1 4.373 0 . . . . . . . 444 LEU HA . 26990 1 454 . 1 1 60 60 LEU HB2 H 1 1.619 0 . . . . . . . 444 LEU HB . 26990 1 455 . 1 1 60 60 LEU HB3 H 1 1.619 0 . . . . . . . 444 LEU HB . 26990 1 456 . 1 1 60 60 LEU C C 13 177.192 0.004 . . . . . . . 444 LEU C . 26990 1 457 . 1 1 60 60 LEU CA C 13 55.232 0.052 . . . . . . . 444 LEU CA . 26990 1 458 . 1 1 60 60 LEU CB C 13 42.201 0.14 . . . . . . . 444 LEU CB . 26990 1 459 . 1 1 60 60 LEU CG C 13 27.001 0 . . . . . . . 444 LEU CG . 26990 1 460 . 1 1 60 60 LEU CD1 C 13 24.727 0 . . . . . . . 444 LEU CD . 26990 1 461 . 1 1 60 60 LEU CD2 C 13 24.727 0 . . . . . . . 444 LEU CD . 26990 1 462 . 1 1 60 60 LEU N N 15 124.906 0.048 . . . . . . . 444 LEU N . 26990 1 463 . 1 1 61 61 GLN H H 1 8.473 0.006 . . . . . . . 445 GLN HN . 26990 1 464 . 1 1 61 61 GLN HA H 1 4.363 0 . . . . . . . 445 GLN HA . 26990 1 465 . 1 1 61 61 GLN C C 13 175.859 0.004 . . . . . . . 445 GLN C . 26990 1 466 . 1 1 61 61 GLN CA C 13 55.921 0.073 . . . . . . . 445 GLN CA . 26990 1 467 . 1 1 61 61 GLN CB C 13 29.411 0.052 . . . . . . . 445 GLN CB . 26990 1 468 . 1 1 61 61 GLN CG C 13 33.816 0 . . . . . . . 445 GLN CG . 26990 1 469 . 1 1 61 61 GLN N N 15 121.814 0.088 . . . . . . . 445 GLN N . 26990 1 470 . 1 1 62 62 SER H H 1 8.361 0.015 . . . . . . . 446 SER HN . 26990 1 471 . 1 1 62 62 SER HA H 1 4.438 0 . . . . . . . 446 SER HA . 26990 1 472 . 1 1 62 62 SER HB2 H 1 3.826 0 . . . . . . . 446 SER HB . 26990 1 473 . 1 1 62 62 SER HB3 H 1 3.826 0 . . . . . . . 446 SER HB . 26990 1 474 . 1 1 62 62 SER C C 13 174.066 0.011 . . . . . . . 446 SER C . 26990 1 475 . 1 1 62 62 SER CA C 13 58.362 0.056 . . . . . . . 446 SER CA . 26990 1 476 . 1 1 62 62 SER CB C 13 63.831 0.018 . . . . . . . 446 SER CB . 26990 1 477 . 1 1 62 62 SER N N 15 117.319 0.072 . . . . . . . 446 SER N . 26990 1 478 . 1 1 63 63 ALA H H 1 8.401 0.008 . . . . . . . 447 ALA HN . 26990 1 479 . 1 1 63 63 ALA HA H 1 4.296 0 . . . . . . . 447 ALA HA . 26990 1 480 . 1 1 63 63 ALA HB1 H 1 1.346 0 . . . . . . . 447 ALA HB . 26990 1 481 . 1 1 63 63 ALA HB2 H 1 1.346 0 . . . . . . . 447 ALA HB . 26990 1 482 . 1 1 63 63 ALA HB3 H 1 1.346 0 . . . . . . . 447 ALA HB . 26990 1 483 . 1 1 63 63 ALA C C 13 177.745 0.009 . . . . . . . 447 ALA C . 26990 1 484 . 1 1 63 63 ALA CA C 13 52.62 0.091 . . . . . . . 447 ALA CA . 26990 1 485 . 1 1 63 63 ALA CB C 13 19.337 0.07 . . . . . . . 447 ALA CB . 26990 1 486 . 1 1 63 63 ALA N N 15 126.052 0.027 . . . . . . . 447 ALA N . 26990 1 487 . 1 1 64 64 THR H H 1 8.155 0.002 . . . . . . . 448 THR HN . 26990 1 488 . 1 1 64 64 THR C C 13 174.401 0.004 . . . . . . . 448 THR C . 26990 1 489 . 1 1 64 64 THR CA C 13 61.998 0.044 . . . . . . . 448 THR CA . 26990 1 490 . 1 1 64 64 THR CB C 13 69.992 0.182 . . . . . . . 448 THR CB . 26990 1 491 . 1 1 64 64 THR CG2 C 13 21.682 0 . . . . . . . 448 THR CG2 . 26990 1 492 . 1 1 64 64 THR N N 15 114.175 0.034 . . . . . . . 448 THR N . 26990 1 493 . 1 1 65 65 VAL H H 1 8.217 0.012 . . . . . . . 449 VAL HN . 26990 1 494 . 1 1 65 65 VAL HA H 1 4.155 0 . . . . . . . 449 VAL HA . 26990 1 495 . 1 1 65 65 VAL HB H 1 2.104 0 . . . . . . . 449 VAL HB . 26990 1 496 . 1 1 65 65 VAL C C 13 176.038 0.007 . . . . . . . 449 VAL C . 26990 1 497 . 1 1 65 65 VAL CA C 13 62.601 0.063 . . . . . . . 449 VAL CA . 26990 1 498 . 1 1 65 65 VAL CB C 13 32.617 0.125 . . . . . . . 449 VAL CB . 26990 1 499 . 1 1 65 65 VAL CG1 C 13 20.927 0 . . . . . . . 449 VAL CG1 . 26990 1 500 . 1 1 65 65 VAL CG2 C 13 20.927 0 . . . . . . . 449 VAL CG2 . 26990 1 501 . 1 1 65 65 VAL N N 15 122.913 0.033 . . . . . . . 449 VAL N . 26990 1 502 . 1 1 66 66 GLU H H 1 8.503 0.007 . . . . . . . 450 GLU HN . 26990 1 503 . 1 1 66 66 GLU HA H 1 4.251 0 . . . . . . . 450 GLU HA . 26990 1 504 . 1 1 66 66 GLU C C 13 176.1 0.013 . . . . . . . 450 GLU C . 26990 1 505 . 1 1 66 66 GLU CA C 13 56.719 0.069 . . . . . . . 450 GLU CA . 26990 1 506 . 1 1 66 66 GLU CB C 13 30.042 0.082 . . . . . . . 450 GLU CB . 26990 1 507 . 1 1 66 66 GLU CG C 13 36.163 0 . . . . . . . 450 GLU CG . 26990 1 508 . 1 1 66 66 GLU N N 15 124.572 0.048 . . . . . . . 450 GLU N . 26990 1 509 . 1 1 67 67 ALA H H 1 8.317 0.006 . . . . . . . 451 ALA HN . 26990 1 510 . 1 1 67 67 ALA HA H 1 4.085 0 . . . . . . . 451 ALA HA . 26990 1 511 . 1 1 67 67 ALA HB1 H 1 1.376 0 . . . . . . . 451 ALA HB . 26990 1 512 . 1 1 67 67 ALA HB2 H 1 1.376 0 . . . . . . . 451 ALA HB . 26990 1 513 . 1 1 67 67 ALA HB3 H 1 1.376 0 . . . . . . . 451 ALA HB . 26990 1 514 . 1 1 67 67 ALA C C 13 177.319 0.03 . . . . . . . 451 ALA C . 26990 1 515 . 1 1 67 67 ALA CA C 13 52.39 0.164 . . . . . . . 451 ALA CA . 26990 1 516 . 1 1 67 67 ALA CB C 13 19.218 0.05 . . . . . . . 451 ALA CB . 26990 1 517 . 1 1 67 67 ALA N N 15 125.605 0.068 . . . . . . . 451 ALA N . 26990 1 518 . 1 1 68 68 ILE H H 1 8.193 0.006 . . . . . . . 452 ILE HN . 26990 1 519 . 1 1 68 68 ILE HA H 1 4.109 0 . . . . . . . 452 ILE HA . 26990 1 520 . 1 1 68 68 ILE HB H 1 1.845 0 . . . . . . . 452 ILE HB . 26990 1 521 . 1 1 68 68 ILE C C 13 176.523 0.006 . . . . . . . 452 ILE C . 26990 1 522 . 1 1 68 68 ILE CA C 13 61.301 0.106 . . . . . . . 452 ILE CA . 26990 1 523 . 1 1 68 68 ILE CB C 13 38.708 0.059 . . . . . . . 452 ILE CB . 26990 1 524 . 1 1 68 68 ILE CG1 C 13 27.492 0 . . . . . . . 452 ILE CG1 . 26990 1 525 . 1 1 68 68 ILE CG2 C 13 17.472 0 . . . . . . . 452 ILE CG2 . 26990 1 526 . 1 1 68 68 ILE CD1 C 13 12.98 0 . . . . . . . 452 ILE CD . 26990 1 527 . 1 1 68 68 ILE N N 15 120.779 0.092 . . . . . . . 452 ILE N . 26990 1 528 . 1 1 69 69 GLU H H 1 8.515 0.007 . . . . . . . 453 GLU HN . 26990 1 529 . 1 1 69 69 GLU HA H 1 4.239 0 . . . . . . . 453 GLU HA . 26990 1 530 . 1 1 69 69 GLU HB2 H 1 2.233 0 . . . . . . . 453 GLU HB . 26990 1 531 . 1 1 69 69 GLU HB3 H 1 2.233 0 . . . . . . . 453 GLU HB . 26990 1 532 . 1 1 69 69 GLU C C 13 176.376 0.005 . . . . . . . 453 GLU C . 26990 1 533 . 1 1 69 69 GLU CA C 13 56.662 0.075 . . . . . . . 453 GLU CA . 26990 1 534 . 1 1 69 69 GLU CB C 13 30.017 0.034 . . . . . . . 453 GLU CB . 26990 1 535 . 1 1 69 69 GLU CG C 13 36.094 0 . . . . . . . 453 GLU CG . 26990 1 536 . 1 1 69 69 GLU N N 15 124.916 0.083 . . . . . . . 453 GLU N . 26990 1 537 . 1 1 70 70 ALA H H 1 8.363 0.011 . . . . . . . 454 ALA HN . 26990 1 538 . 1 1 70 70 ALA HA H 1 4.619 0 . . . . . . . 454 ALA HA . 26990 1 539 . 1 1 70 70 ALA HB1 H 1 1.594 0 . . . . . . . 454 ALA HB . 26990 1 540 . 1 1 70 70 ALA HB2 H 1 1.594 0 . . . . . . . 454 ALA HB . 26990 1 541 . 1 1 70 70 ALA HB3 H 1 1.594 0 . . . . . . . 454 ALA HB . 26990 1 542 . 1 1 70 70 ALA C C 13 177.661 0.006 . . . . . . . 454 ALA C . 26990 1 543 . 1 1 70 70 ALA CA C 13 52.968 0.064 . . . . . . . 454 ALA CA . 26990 1 544 . 1 1 70 70 ALA CB C 13 19.295 0.049 . . . . . . . 454 ALA CB . 26990 1 545 . 1 1 70 70 ALA N N 15 125.104 0.086 . . . . . . . 454 ALA N . 26990 1 546 . 1 1 71 71 ASP H H 1 8.29 0.009 . . . . . . . 455 ASP HN . 26990 1 547 . 1 1 71 71 ASP HA H 1 4.524 0 . . . . . . . 455 ASP HA . 26990 1 548 . 1 1 71 71 ASP HB2 H 1 2.661 0 . . . . . . . 455 ASP HB . 26990 1 549 . 1 1 71 71 ASP HB3 H 1 2.661 0 . . . . . . . 455 ASP HB . 26990 1 550 . 1 1 71 71 ASP C C 13 176.683 0.013 . . . . . . . 455 ASP C . 26990 1 551 . 1 1 71 71 ASP CA C 13 54.758 0.058 . . . . . . . 455 ASP CA . 26990 1 552 . 1 1 71 71 ASP CB C 13 41.319 0.366 . . . . . . . 455 ASP CB . 26990 1 553 . 1 1 71 71 ASP N N 15 119.605 0.073 . . . . . . . 455 ASP N . 26990 1 554 . 1 1 72 72 GLU H H 1 8.327 0.004 . . . . . . . 456 GLU HN . 26990 1 555 . 1 1 72 72 GLU HA H 1 4.124 0 . . . . . . . 456 GLU HA . 26990 1 556 . 1 1 72 72 GLU HB2 H 1 1.871 0 . . . . . . . 456 GLU HB . 26990 1 557 . 1 1 72 72 GLU HB3 H 1 1.871 0 . . . . . . . 456 GLU HB . 26990 1 558 . 1 1 72 72 GLU C C 13 176.702 0.009 . . . . . . . 456 GLU C . 26990 1 559 . 1 1 72 72 GLU CA C 13 57.168 0.095 . . . . . . . 456 GLU CA . 26990 1 560 . 1 1 72 72 GLU CB C 13 29.908 0.029 . . . . . . . 456 GLU CB . 26990 1 561 . 1 1 72 72 GLU CG C 13 36.104 0 . . . . . . . 456 GLU CG . 26990 1 562 . 1 1 72 72 GLU N N 15 121.208 0.055 . . . . . . . 456 GLU N . 26990 1 563 . 1 1 73 73 ALA H H 1 8.226 0.01 . . . . . . . 457 ALA HN . 26990 1 564 . 1 1 73 73 ALA HA H 1 4.241 0 . . . . . . . 457 ALA HA . 26990 1 565 . 1 1 73 73 ALA HB1 H 1 1.371 0 . . . . . . . 457 ALA HB . 26990 1 566 . 1 1 73 73 ALA HB2 H 1 1.371 0 . . . . . . . 457 ALA HB . 26990 1 567 . 1 1 73 73 ALA HB3 H 1 1.371 0 . . . . . . . 457 ALA HB . 26990 1 568 . 1 1 73 73 ALA C C 13 178.23 0.008 . . . . . . . 457 ALA C . 26990 1 569 . 1 1 73 73 ALA CA C 13 53.173 0.055 . . . . . . . 457 ALA CA . 26990 1 570 . 1 1 73 73 ALA CB C 13 18.937 0.013 . . . . . . . 457 ALA CB . 26990 1 571 . 1 1 73 73 ALA N N 15 123.634 0.063 . . . . . . . 457 ALA N . 26990 1 572 . 1 1 74 74 ILE H H 1 7.884 0.006 . . . . . . . 458 ILE HN . 26990 1 573 . 1 1 74 74 ILE HA H 1 4.051 0 . . . . . . . 458 ILE HA . 26990 1 574 . 1 1 74 74 ILE C C 13 176.539 0.002 . . . . . . . 458 ILE C . 26990 1 575 . 1 1 74 74 ILE CA C 13 61.453 0.05 . . . . . . . 458 ILE CA . 26990 1 576 . 1 1 74 74 ILE CB C 13 38.275 0.08 . . . . . . . 458 ILE CB . 26990 1 577 . 1 1 74 74 ILE CG1 C 13 27.509 0 . . . . . . . 458 ILE CG1 . 26990 1 578 . 1 1 74 74 ILE CG2 C 13 17.535 0 . . . . . . . 458 ILE CG2 . 26990 1 579 . 1 1 74 74 ILE CD1 C 13 12.952 0 . . . . . . . 458 ILE CD . 26990 1 580 . 1 1 74 74 ILE N N 15 118.828 0.035 . . . . . . . 458 ILE N . 26990 1 581 . 1 1 75 75 LYS H H 1 8.207 0.007 . . . . . . . 459 LYS HN . 26990 1 582 . 1 1 75 75 LYS HA H 1 4.217 0 . . . . . . . 459 LYS HA . 26990 1 583 . 1 1 75 75 LYS C C 13 176.964 0.004 . . . . . . . 459 LYS C . 26990 1 584 . 1 1 75 75 LYS CA C 13 56.837 0.067 . . . . . . . 459 LYS CA . 26990 1 585 . 1 1 75 75 LYS CB C 13 32.781 0.078 . . . . . . . 459 LYS CB . 26990 1 586 . 1 1 75 75 LYS CG C 13 24.862 0 . . . . . . . 459 LYS CG . 26990 1 587 . 1 1 75 75 LYS CD C 13 29.145 0 . . . . . . . 459 LYS CD . 26990 1 588 . 1 1 75 75 LYS CE C 13 42.162 0 . . . . . . . 459 LYS CE . 26990 1 589 . 1 1 75 75 LYS N N 15 124.432 0.038 . . . . . . . 459 LYS N . 26990 1 590 . 1 1 76 76 GLY H H 1 8.267 0.008 . . . . . . . 460 GLY HN . 26990 1 591 . 1 1 76 76 GLY HA2 H 1 3.91 0 . . . . . . . 460 GLY HA . 26990 1 592 . 1 1 76 76 GLY HA3 H 1 3.91 0 . . . . . . . 460 GLY HA . 26990 1 593 . 1 1 76 76 GLY C C 13 173.468 0.004 . . . . . . . 460 GLY C . 26990 1 594 . 1 1 76 76 GLY CA C 13 45.107 0.037 . . . . . . . 460 GLY CA . 26990 1 595 . 1 1 76 76 GLY N N 15 109.29 0.073 . . . . . . . 460 GLY N . 26990 1 596 . 1 1 77 77 PHE H H 1 8.061 0.007 . . . . . . . 461 PHE HN . 26990 1 597 . 1 1 77 77 PHE HA H 1 4.624 0 . . . . . . . 461 PHE HA . 26990 1 598 . 1 1 77 77 PHE HB2 H 1 3.032 0 . . . . . . . 461 PHE HB . 26990 1 599 . 1 1 77 77 PHE HB3 H 1 3.032 0 . . . . . . . 461 PHE HB . 26990 1 600 . 1 1 77 77 PHE C C 13 175.312 0.006 . . . . . . . 461 PHE C . 26990 1 601 . 1 1 77 77 PHE CA C 13 57.603 0.051 . . . . . . . 461 PHE CA . 26990 1 602 . 1 1 77 77 PHE CB C 13 39.931 0.065 . . . . . . . 461 PHE CB . 26990 1 603 . 1 1 77 77 PHE N N 15 120.014 0.049 . . . . . . . 461 PHE N . 26990 1 604 . 1 1 78 78 SER H H 1 8.259 0.007 . . . . . . . 462 SER HN . 26990 1 605 . 1 1 78 78 SER HA H 1 4.693 0 . . . . . . . 462 SER HA . 26990 1 606 . 1 1 78 78 SER HB2 H 1 3.75 0 . . . . . . . 462 SER HB . 26990 1 607 . 1 1 78 78 SER HB3 H 1 3.75 0 . . . . . . . 462 SER HB . 26990 1 608 . 1 1 78 78 SER C C 13 172.37 0.002 . . . . . . . 462 SER C . 26990 1 609 . 1 1 78 78 SER CA C 13 55.817 0.041 . . . . . . . 462 SER CA . 26990 1 610 . 1 1 78 78 SER CB C 13 63.325 0 . . . . . . . 462 SER CB . 26990 1 611 . 1 1 78 78 SER N N 15 119.639 0.075 . . . . . . . 462 SER N . 26990 1 612 . 1 1 79 79 PRO C C 13 176.815 0.003 . . . . . . . 463 PRO C . 26990 1 613 . 1 1 79 79 PRO CA C 13 63.428 0.013 . . . . . . . 463 PRO CA . 26990 1 614 . 1 1 79 79 PRO CB C 13 32.009 0.035 . . . . . . . 463 PRO CB . 26990 1 615 . 1 1 79 79 PRO CG C 13 27.27 0 . . . . . . . 463 PRO CG . 26990 1 616 . 1 1 79 79 PRO CD C 13 50.751 0 . . . . . . . 463 PRO CD . 26990 1 617 . 1 1 79 79 PRO N N 15 105.52 0.02 . . . . . . . 463 PRO N . 26990 1 618 . 1 1 80 80 GLN H H 1 8.368 0.005 . . . . . . . 464 GLN HN . 26990 1 619 . 1 1 80 80 GLN HA H 1 4.186 0 . . . . . . . 464 GLN HA . 26990 1 620 . 1 1 80 80 GLN HB2 H 1 1.894 0 . . . . . . . 464 GLN HB . 26990 1 621 . 1 1 80 80 GLN HB3 H 1 1.894 0 . . . . . . . 464 GLN HB . 26990 1 622 . 1 1 80 80 GLN C C 13 175.703 0.001 . . . . . . . 464 GLN C . 26990 1 623 . 1 1 80 80 GLN CA C 13 56.044 0.054 . . . . . . . 464 GLN CA . 26990 1 624 . 1 1 80 80 GLN CB C 13 29.261 0.078 . . . . . . . 464 GLN CB . 26990 1 625 . 1 1 80 80 GLN CG C 13 33.924 0 . . . . . . . 464 GLN CG . 26990 1 626 . 1 1 80 80 GLN N N 15 119.273 0.066 . . . . . . . 464 GLN N . 26990 1 627 . 1 1 81 81 HIS H H 1 8.325 0.008 . . . . . . . 465 HIS HN . 26990 1 628 . 1 1 81 81 HIS HA H 1 4.593 0 . . . . . . . 465 HIS HA . 26990 1 629 . 1 1 81 81 HIS HB2 H 1 3.074 0 . . . . . . . 465 HIS HB . 26990 1 630 . 1 1 81 81 HIS HB3 H 1 3.074 0 . . . . . . . 465 HIS HB . 26990 1 631 . 1 1 81 81 HIS C C 13 174.065 0.036 . . . . . . . 465 HIS C . 26990 1 632 . 1 1 81 81 HIS CA C 13 55.182 0.084 . . . . . . . 465 HIS CA . 26990 1 633 . 1 1 81 81 HIS CB C 13 29.175 0.069 . . . . . . . 465 HIS CB . 26990 1 634 . 1 1 81 81 HIS N N 15 119.417 0.064 . . . . . . . 465 HIS N . 26990 1 635 . 1 1 82 82 LYS H H 1 8.337 0.007 . . . . . . . 466 LYS HN . 26990 1 636 . 1 1 82 82 LYS HA H 1 4.198 0 . . . . . . . 466 LYS HA . 26990 1 637 . 1 1 82 82 LYS HB2 H 1 1.805 0 . . . . . . . 466 LYS HB . 26990 1 638 . 1 1 82 82 LYS HB3 H 1 1.805 0 . . . . . . . 466 LYS HB . 26990 1 639 . 1 1 82 82 LYS C C 13 176.21 0.011 . . . . . . . 466 LYS C . 26990 1 640 . 1 1 82 82 LYS CA C 13 56.351 0.099 . . . . . . . 466 LYS CA . 26990 1 641 . 1 1 82 82 LYS CB C 13 33.142 0.023 . . . . . . . 466 LYS CB . 26990 1 642 . 1 1 82 82 LYS CG C 13 24.817 0 . . . . . . . 466 LYS CG . 26990 1 643 . 1 1 82 82 LYS CD C 13 29.058 0 . . . . . . . 466 LYS CD . 26990 1 644 . 1 1 82 82 LYS CE C 13 42.131 0 . . . . . . . 466 LYS CE . 26990 1 645 . 1 1 82 82 LYS N N 15 123.036 0.079 . . . . . . . 466 LYS N . 26990 1 646 . 1 1 83 83 ILE H H 1 8.324 0.036 . . . . . . . 467 ILE HN . 26990 1 647 . 1 1 83 83 ILE HA H 1 4.212 0 . . . . . . . 467 ILE HA . 26990 1 648 . 1 1 83 83 ILE HB H 1 1.865 0 . . . . . . . 467 ILE HB . 26990 1 649 . 1 1 83 83 ILE C C 13 176.329 0.004 . . . . . . . 467 ILE C . 26990 1 650 . 1 1 83 83 ILE CA C 13 61.132 0.072 . . . . . . . 467 ILE CA . 26990 1 651 . 1 1 83 83 ILE CB C 13 38.547 0.062 . . . . . . . 467 ILE CB . 26990 1 652 . 1 1 83 83 ILE CG1 C 13 27.237 0 . . . . . . . 467 ILE CG1 . 26990 1 653 . 1 1 83 83 ILE CG2 C 13 17.498 0 . . . . . . . 467 ILE CG2 . 26990 1 654 . 1 1 83 83 ILE CD1 C 13 12.854 0 . . . . . . . 467 ILE CD . 26990 1 655 . 1 1 83 83 ILE N N 15 122.718 0.098 . . . . . . . 467 ILE N . 26990 1 656 . 1 1 84 84 THR H H 1 8.261 0.005 . . . . . . . 468 THR HN . 26990 1 657 . 1 1 84 84 THR HA H 1 4.616 0 . . . . . . . 468 THR HA . 26990 1 658 . 1 1 84 84 THR HB H 1 4.273 0 . . . . . . . 468 THR HB . 26990 1 659 . 1 1 84 84 THR C C 13 174.775 0.003 . . . . . . . 468 THR C . 26990 1 660 . 1 1 84 84 THR CA C 13 62.032 0.053 . . . . . . . 468 THR CA . 26990 1 661 . 1 1 84 84 THR CB C 13 69.855 0.197 . . . . . . . 468 THR CB . 26990 1 662 . 1 1 84 84 THR CG2 C 13 21.461 0 . . . . . . . 468 THR CG2 . 26990 1 663 . 1 1 84 84 THR N N 15 118.534 0.099 . . . . . . . 468 THR N . 26990 1 664 . 1 1 85 85 GLY H H 1 8.42 0.004 . . . . . . . 469 GLY HN . 26990 1 665 . 1 1 85 85 GLY HA2 H 1 3.924 0 . . . . . . . 469 GLY HA . 26990 1 666 . 1 1 85 85 GLY HA3 H 1 3.924 0 . . . . . . . 469 GLY HA . 26990 1 667 . 1 1 85 85 GLY C C 13 173.727 0.011 . . . . . . . 469 GLY C . 26990 1 668 . 1 1 85 85 GLY CA C 13 45.228 0.056 . . . . . . . 469 GLY CA . 26990 1 669 . 1 1 85 85 GLY N N 15 111.391 0.051 . . . . . . . 469 GLY N . 26990 1 670 . 1 1 86 86 TRP H H 1 8.191 0.006 . . . . . . . 470 TRP HN . 26990 1 671 . 1 1 86 86 TRP HA H 1 4.629 0 . . . . . . . 470 TRP HA . 26990 1 672 . 1 1 86 86 TRP HB2 H 1 3.231 0 . . . . . . . 470 TRP HB . 26990 1 673 . 1 1 86 86 TRP HB3 H 1 3.231 0 . . . . . . . 470 TRP HB . 26990 1 674 . 1 1 86 86 TRP C C 13 176.86 0.008 . . . . . . . 470 TRP C . 26990 1 675 . 1 1 86 86 TRP CA C 13 57.533 0.06 . . . . . . . 470 TRP CA . 26990 1 676 . 1 1 86 86 TRP CB C 13 29.612 0.047 . . . . . . . 470 TRP CB . 26990 1 677 . 1 1 86 86 TRP N N 15 121.249 0.035 . . . . . . . 470 TRP N . 26990 1 678 . 1 1 87 87 GLY H H 1 8.424 0.005 . . . . . . . 471 GLY HN . 26990 1 679 . 1 1 87 87 GLY HA2 H 1 3.799 0 . . . . . . . 471 GLY HA . 26990 1 680 . 1 1 87 87 GLY HA3 H 1 3.799 0 . . . . . . . 471 GLY HA . 26990 1 681 . 1 1 87 87 GLY C C 13 174.534 0.006 . . . . . . . 471 GLY C . 26990 1 682 . 1 1 87 87 GLY CA C 13 45.441 0.103 . . . . . . . 471 GLY CA . 26990 1 683 . 1 1 87 87 GLY N N 15 111.927 0.067 . . . . . . . 471 GLY N . 26990 1 684 . 1 1 88 88 GLY H H 1 7.667 0.005 . . . . . . . 472 GLY HN . 26990 1 685 . 1 1 88 88 GLY HA2 H 1 3.78 0 . . . . . . . 472 GLY HA . 26990 1 686 . 1 1 88 88 GLY HA3 H 1 3.78 0 . . . . . . . 472 GLY HA . 26990 1 687 . 1 1 88 88 GLY C C 13 174.465 0.011 . . . . . . . 472 GLY C . 26990 1 688 . 1 1 88 88 GLY CA C 13 45.314 0.086 . . . . . . . 472 GLY CA . 26990 1 689 . 1 1 88 88 GLY N N 15 108.141 0.055 . . . . . . . 472 GLY N . 26990 1 690 . 1 1 89 89 GLY H H 1 8.278 0.006 . . . . . . . 473 GLY HN . 26990 1 691 . 1 1 89 89 GLY HA2 H 1 3.921 0 . . . . . . . 473 GLY HA . 26990 1 692 . 1 1 89 89 GLY HA3 H 1 3.921 0 . . . . . . . 473 GLY HA . 26990 1 693 . 1 1 89 89 GLY C C 13 174.164 0.008 . . . . . . . 473 GLY C . 26990 1 694 . 1 1 89 89 GLY CA C 13 45.223 0.105 . . . . . . . 473 GLY CA . 26990 1 695 . 1 1 89 89 GLY N N 15 108.829 0.042 . . . . . . . 473 GLY N . 26990 1 696 . 1 1 90 90 LEU H H 1 8.144 0.009 . . . . . . . 474 LEU HN . 26990 1 697 . 1 1 90 90 LEU HA H 1 4.335 0 . . . . . . . 474 LEU HA . 26990 1 698 . 1 1 90 90 LEU HB2 H 1 1.551 0 . . . . . . . 474 LEU HB . 26990 1 699 . 1 1 90 90 LEU HB3 H 1 1.551 0 . . . . . . . 474 LEU HB . 26990 1 700 . 1 1 90 90 LEU C C 13 177.405 0.003 . . . . . . . 474 LEU C . 26990 1 701 . 1 1 90 90 LEU CA C 13 55.347 0.014 . . . . . . . 474 LEU CA . 26990 1 702 . 1 1 90 90 LEU CB C 13 42.319 0.041 . . . . . . . 474 LEU CB . 26990 1 703 . 1 1 90 90 LEU CG C 13 26.917 0 . . . . . . . 474 LEU CG . 26990 1 704 . 1 1 90 90 LEU CD1 C 13 24.868 0 . . . . . . . 474 LEU CD . 26990 1 705 . 1 1 90 90 LEU CD2 C 13 24.868 0 . . . . . . . 474 LEU CD . 26990 1 706 . 1 1 90 90 LEU N N 15 121.333 0.051 . . . . . . . 474 LEU N . 26990 1 707 . 1 1 91 91 GLU H H 1 8.432 0.006 . . . . . . . 475 GLU HN . 26990 1 708 . 1 1 91 91 GLU HA H 1 4.089 0 . . . . . . . 475 GLU HA . 26990 1 709 . 1 1 91 91 GLU HB2 H 1 1.81 0 . . . . . . . 475 GLU HB . 26990 1 710 . 1 1 91 91 GLU HB3 H 1 1.81 0 . . . . . . . 475 GLU HB . 26990 1 711 . 1 1 91 91 GLU C C 13 176.132 0.007 . . . . . . . 475 GLU C . 26990 1 712 . 1 1 91 91 GLU CA C 13 56.679 0.052 . . . . . . . 475 GLU CA . 26990 1 713 . 1 1 91 91 GLU CB C 13 29.826 0.112 . . . . . . . 475 GLU CB . 26990 1 714 . 1 1 91 91 GLU CG C 13 36.001 0 . . . . . . . 475 GLU CG . 26990 1 715 . 1 1 91 91 GLU N N 15 120.794 0.042 . . . . . . . 475 GLU N . 26990 1 716 . 1 1 92 92 HIS H H 1 8.365 0.009 . . . . . . . 476 HIS HN . 26990 1 717 . 1 1 92 92 HIS HA H 1 4.552 0 . . . . . . . 476 HIS HA . 26990 1 718 . 1 1 92 92 HIS HB2 H 1 3.047 0 . . . . . . . 476 HIS HB . 26990 1 719 . 1 1 92 92 HIS HB3 H 1 3.047 0 . . . . . . . 476 HIS HB . 26990 1 720 . 1 1 92 92 HIS C C 13 174.28 0.025 . . . . . . . 476 HIS C . 26990 1 721 . 1 1 92 92 HIS CA C 13 55.314 0.046 . . . . . . . 476 HIS CA . 26990 1 722 . 1 1 92 92 HIS CB C 13 29.208 0.06 . . . . . . . 476 HIS CB . 26990 1 723 . 1 1 92 92 HIS N N 15 119.259 0.047 . . . . . . . 476 HIS N . 26990 1 724 . 1 1 93 93 HIS H H 1 8.411 0.013 . . . . . . . 477 HIS HN . 26990 1 725 . 1 1 93 93 HIS HA H 1 4.544 0 . . . . . . . 477 HIS HA . 26990 1 726 . 1 1 93 93 HIS HB2 H 1 3.048 0 . . . . . . . 477 HIS HB . 26990 1 727 . 1 1 93 93 HIS HB3 H 1 3.048 0 . . . . . . . 477 HIS HB . 26990 1 728 . 1 1 93 93 HIS C C 13 174.271 0.023 . . . . . . . 477 HIS C . 26990 1 729 . 1 1 93 93 HIS CA C 13 55.385 0.061 . . . . . . . 477 HIS CA . 26990 1 730 . 1 1 93 93 HIS CB C 13 29.245 0.065 . . . . . . . 477 HIS CB . 26990 1 731 . 1 1 93 93 HIS N N 15 119.255 0.061 . . . . . . . 477 HIS N . 26990 1 732 . 1 1 94 94 HIS H H 1 8.425 0.014 . . . . . . . 478 HIS HN . 26990 1 733 . 1 1 94 94 HIS HA H 1 4.611 0 . . . . . . . 478 HIS HA . 26990 1 734 . 1 1 94 94 HIS HB2 H 1 2.779 0 . . . . . . . 478 HIS HB . 26990 1 735 . 1 1 94 94 HIS HB3 H 1 2.779 0 . . . . . . . 478 HIS HB . 26990 1 736 . 1 1 94 94 HIS C C 13 174.185 0.026 . . . . . . . 478 HIS C . 26990 1 737 . 1 1 94 94 HIS CA C 13 55.473 0.069 . . . . . . . 478 HIS CA . 26990 1 738 . 1 1 94 94 HIS CB C 13 29.352 0.065 . . . . . . . 478 HIS CB . 26990 1 739 . 1 1 94 94 HIS N N 15 119.381 0.085 . . . . . . . 478 HIS N . 26990 1 740 . 1 1 95 95 HIS H H 1 8.567 0.013 . . . . . . . 479 HIS HN . 26990 1 741 . 1 1 95 95 HIS HA H 1 4.857 0 . . . . . . . 479 HIS HA . 26990 1 742 . 1 1 95 95 HIS C C 13 174.23 0.024 . . . . . . . 479 HIS C . 26990 1 743 . 1 1 95 95 HIS CA C 13 55.466 0.06 . . . . . . . 479 HIS CA . 26990 1 744 . 1 1 95 95 HIS CB C 13 29.503 0.091 . . . . . . . 479 HIS CB . 26990 1 745 . 1 1 95 95 HIS N N 15 120.069 0.234 . . . . . . . 479 HIS N . 26990 1 746 . 1 1 96 96 HIS H H 1 8.614 0.024 . . . . . . . 480 HIS HN . 26990 1 747 . 1 1 96 96 HIS HA H 1 4.857 0 . . . . . . . 480 HIS HA . 26990 1 748 . 1 1 96 96 HIS C C 13 174.053 0.031 . . . . . . . 480 HIS C . 26990 1 749 . 1 1 96 96 HIS CA C 13 55.433 0.065 . . . . . . . 480 HIS CA . 26990 1 750 . 1 1 96 96 HIS CB C 13 29.522 0.103 . . . . . . . 480 HIS CB . 26990 1 751 . 1 1 96 96 HIS N N 15 120.552 0.125 . . . . . . . 480 HIS N . 26990 1 752 . 1 1 97 97 HIS H H 1 8.576 0.017 . . . . . . . 481 HIS HN . 26990 1 753 . 1 1 97 97 HIS HA H 1 4.868 0 . . . . . . . 481 HIS HA . 26990 1 754 . 1 1 97 97 HIS CA C 13 55.499 0.001 . . . . . . . 481 HIS CA . 26990 1 755 . 1 1 97 97 HIS CB C 13 29.535 0 . . . . . . . 481 HIS CB . 26990 1 756 . 1 1 97 97 HIS N N 15 120.614 0.122 . . . . . . . 481 HIS N . 26990 1 stop_ save_