data_27321 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27321 _Entry.Title ; 1H, 13C and 15N Chemical Shift Assignments and 15N backbone relaxation data for intracellular loop 2 of the human ZIP4 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-11-30 _Entry.Accession_date 2017-11-30 _Entry.Last_release_date 2017-11-30 _Entry.Original_release_date 2017-11-30 _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 . _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 Elizabeth Bafaro . M. . . 27321 2 Mark Maciejewski . W. . . 27321 3 Jeffrey Hoch . C. . . 27321 4 Robert Dempski . E. . . 27321 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Worcester Polytechnic Institute' . 27321 2 . 'UConn Health' . 27321 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27321 heteronucl_NOEs 1 27321 heteronucl_T1_relaxation 1 27321 heteronucl_T2_relaxation 1 27321 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 350 27321 '15N chemical shifts' 156 27321 '1H chemical shifts' 385 27321 'T1 relaxation values' 79 27321 'T2 relaxation values' 79 27321 'heteronuclear NOE values' 80 27321 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-06-21 . original BMRB . 27321 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27321 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1002/pro.3591 _Citation.PubMed_ID 30793391 _Citation.Full_citation . _Citation.Title ; Concomitant disorder and high-affinity zinc binding in the human zinc- and iron-regulated transport protein 4 intracellular loop ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 28 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1469-896X _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 868 _Citation.Page_last 880 _Citation.Year 2019 _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 Elizabeth Bafaro . M. . . 27321 1 2 Mark Maciejewski . W. . . 27321 1 3 Jeffrey Hoch . C. . . 27321 1 4 Robert Dempski . E. . . 27321 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 27321 1 hZIP4 27321 1 'intracellular loop' 27321 1 'intrinsically disordered protein' 27321 1 'protein structure' 27321 1 transporter 27321 1 zinc 27321 1 'zinc sensing' 27321 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27321 _Assembly.ID 1 _Assembly.Name 'hZIP4 ICL2' _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 10950 _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 'hZIP4 ICL2' 1 $hZIP4_ICL2 A . yes native no no . . . 27321 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hZIP4_ICL2 _Entity.Sf_category entity _Entity.Sf_framecode hZIP4_ICL2 _Entity.Entry_ID 27321 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hZIP4_ICL2 _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 ; GDRGPEFELGTLPRDPEDLE DGPCGHSSHSHGGHSHGVSL QLAPSELRQPKPPHEGSRAD LVAEESPELLNPEPRRLSPE LRLLPYGHGLSAWSHPQFEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-11 represent a cloning scar. Residues 87-100 represent a non-native affinity tag. Residues 12-86 are the intracellular loop of a membrane protein. ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'intracellular loop 2 of hZIP4' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'zinc sensing' 27321 1 'zinc transport' 27321 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 1 413 GLY . 27321 1 2 414 ASP . 27321 1 3 415 ARG . 27321 1 4 416 GLY . 27321 1 5 417 PRO . 27321 1 6 418 GLU . 27321 1 7 419 PHE . 27321 1 8 420 GLU . 27321 1 9 421 LEU . 27321 1 10 422 GLY . 27321 1 11 423 THR . 27321 1 12 424 LEU . 27321 1 13 425 PRO . 27321 1 14 426 ARG . 27321 1 15 427 ASP . 27321 1 16 428 PRO . 27321 1 17 429 GLU . 27321 1 18 430 ASP . 27321 1 19 431 LEU . 27321 1 20 432 GLU . 27321 1 21 433 ASP . 27321 1 22 434 GLY . 27321 1 23 435 PRO . 27321 1 24 436 CYS . 27321 1 25 437 GLY . 27321 1 26 438 HIS . 27321 1 27 439 SER . 27321 1 28 440 SER . 27321 1 29 441 HIS . 27321 1 30 442 SER . 27321 1 31 443 HIS . 27321 1 32 444 GLY . 27321 1 33 445 GLY . 27321 1 34 446 HIS . 27321 1 35 447 SER . 27321 1 36 448 HIS . 27321 1 37 449 GLY . 27321 1 38 450 VAL . 27321 1 39 451 SER . 27321 1 40 452 LEU . 27321 1 41 453 GLN . 27321 1 42 454 LEU . 27321 1 43 455 ALA . 27321 1 44 456 PRO . 27321 1 45 457 SER . 27321 1 46 458 GLU . 27321 1 47 459 LEU . 27321 1 48 460 ARG . 27321 1 49 461 GLN . 27321 1 50 462 PRO . 27321 1 51 463 LYS . 27321 1 52 464 PRO . 27321 1 53 465 PRO . 27321 1 54 466 HIS . 27321 1 55 467 GLU . 27321 1 56 468 GLY . 27321 1 57 469 SER . 27321 1 58 470 ARG . 27321 1 59 471 ALA . 27321 1 60 472 ASP . 27321 1 61 473 LEU . 27321 1 62 474 VAL . 27321 1 63 475 ALA . 27321 1 64 476 GLU . 27321 1 65 477 GLU . 27321 1 66 478 SER . 27321 1 67 479 PRO . 27321 1 68 480 GLU . 27321 1 69 481 LEU . 27321 1 70 482 LEU . 27321 1 71 483 ASN . 27321 1 72 484 PRO . 27321 1 73 485 GLU . 27321 1 74 486 PRO . 27321 1 75 487 ARG . 27321 1 76 488 ARG . 27321 1 77 489 LEU . 27321 1 78 490 SER . 27321 1 79 491 PRO . 27321 1 80 492 GLU . 27321 1 81 493 LEU . 27321 1 82 494 ARG . 27321 1 83 495 LEU . 27321 1 84 496 LEU . 27321 1 85 497 PRO . 27321 1 86 498 TYR . 27321 1 87 499 GLY . 27321 1 88 500 HIS . 27321 1 89 501 GLY . 27321 1 90 502 LEU . 27321 1 91 503 SER . 27321 1 92 504 ALA . 27321 1 93 505 TRP . 27321 1 94 506 SER . 27321 1 95 507 HIS . 27321 1 96 508 PRO . 27321 1 97 509 GLN . 27321 1 98 510 PHE . 27321 1 99 511 GLU . 27321 1 100 512 LYS . 27321 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 27321 1 . ASP 2 2 27321 1 . ARG 3 3 27321 1 . GLY 4 4 27321 1 . PRO 5 5 27321 1 . GLU 6 6 27321 1 . PHE 7 7 27321 1 . GLU 8 8 27321 1 . LEU 9 9 27321 1 . GLY 10 10 27321 1 . THR 11 11 27321 1 . LEU 12 12 27321 1 . PRO 13 13 27321 1 . ARG 14 14 27321 1 . ASP 15 15 27321 1 . PRO 16 16 27321 1 . GLU 17 17 27321 1 . ASP 18 18 27321 1 . LEU 19 19 27321 1 . GLU 20 20 27321 1 . ASP 21 21 27321 1 . GLY 22 22 27321 1 . PRO 23 23 27321 1 . CYS 24 24 27321 1 . GLY 25 25 27321 1 . HIS 26 26 27321 1 . SER 27 27 27321 1 . SER 28 28 27321 1 . HIS 29 29 27321 1 . SER 30 30 27321 1 . HIS 31 31 27321 1 . GLY 32 32 27321 1 . GLY 33 33 27321 1 . HIS 34 34 27321 1 . SER 35 35 27321 1 . HIS 36 36 27321 1 . GLY 37 37 27321 1 . VAL 38 38 27321 1 . SER 39 39 27321 1 . LEU 40 40 27321 1 . GLN 41 41 27321 1 . LEU 42 42 27321 1 . ALA 43 43 27321 1 . PRO 44 44 27321 1 . SER 45 45 27321 1 . GLU 46 46 27321 1 . LEU 47 47 27321 1 . ARG 48 48 27321 1 . GLN 49 49 27321 1 . PRO 50 50 27321 1 . LYS 51 51 27321 1 . PRO 52 52 27321 1 . PRO 53 53 27321 1 . HIS 54 54 27321 1 . GLU 55 55 27321 1 . GLY 56 56 27321 1 . SER 57 57 27321 1 . ARG 58 58 27321 1 . ALA 59 59 27321 1 . ASP 60 60 27321 1 . LEU 61 61 27321 1 . VAL 62 62 27321 1 . ALA 63 63 27321 1 . GLU 64 64 27321 1 . GLU 65 65 27321 1 . SER 66 66 27321 1 . PRO 67 67 27321 1 . GLU 68 68 27321 1 . LEU 69 69 27321 1 . LEU 70 70 27321 1 . ASN 71 71 27321 1 . PRO 72 72 27321 1 . GLU 73 73 27321 1 . PRO 74 74 27321 1 . ARG 75 75 27321 1 . ARG 76 76 27321 1 . LEU 77 77 27321 1 . SER 78 78 27321 1 . PRO 79 79 27321 1 . GLU 80 80 27321 1 . LEU 81 81 27321 1 . ARG 82 82 27321 1 . LEU 83 83 27321 1 . LEU 84 84 27321 1 . PRO 85 85 27321 1 . TYR 86 86 27321 1 . GLY 87 87 27321 1 . HIS 88 88 27321 1 . GLY 89 89 27321 1 . LEU 90 90 27321 1 . SER 91 91 27321 1 . ALA 92 92 27321 1 . TRP 93 93 27321 1 . SER 94 94 27321 1 . HIS 95 95 27321 1 . PRO 96 96 27321 1 . GLN 97 97 27321 1 . PHE 98 98 27321 1 . GLU 99 99 27321 1 . LYS 100 100 27321 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 27321 _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 $hZIP4_ICL2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27321 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 27321 _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 $hZIP4_ICL2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pPRIBA . . . 27321 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27321 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '73% H2O/7% D2O/20% glycerol' _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 'hZIP4 intracellular loop 2' '[U-100% 13C; U-100% 15N]' . . 1 $hZIP4_ICL2 . . 0.3 . . mM . . . . 27321 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 27321 1 3 glycerol 'natural abundance' . . . . . . 20 . . '% v/v' . . . . 27321 1 4 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 27321 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 27321 1 6 D2O '[U-100% 2H]' . . . . . . 7 . . '% v/v' . . . . 27321 1 7 H2O 'natural abundance' . . . . . . 73 . . '% v/v' . . . . 27321 1 8 'protease inhibitors (Roche)' 'natural abundance' . . . . . . 1 . . tablet/10mL . . . . 27321 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27321 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '80% D2O/20% glycerol' _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 'hZIP4 intracellular loop 2' '[U-100% 13C; U-100% 15N]' . . 1 $hZIP4_ICL2 . . 0.3 . . mM . . . . 27321 2 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 27321 2 3 glycerol [U-2H] . . . . . . 20 . . '% v/v' . . . . 27321 2 4 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 27321 2 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 27321 2 6 D2O '[U-100% 2H]' . . . . . . 7 . . '% v/v' . . . . 27321 2 7 'protease inhibitors (Roche)' 'natural abundance' . . . . . . 1 . . tablet/10mL . . . . 27321 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 27321 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '73% H2O/7% D2O/20% glycerol' _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 'hZIP4 intracellular loop 2' '[U-100% 15N]' . . 1 $hZIP4_ICL2 . . 0.3 . . mM . . . . 27321 3 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 27321 3 3 glycerol 'natural abundance' . . . . . . 20 . . '% v/v' . . . . 27321 3 4 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 27321 3 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 27321 3 6 D2O '[U-100% 2H]' . . . . . . 7 . . '% v/v' . . . . 27321 3 7 H2O 'natural abundance' . . . . . . 73 . . '% v/v' . . . . 27321 3 8 'protease inhibitors (Roche)' 'natural abundance' . . . . . . 1 . . tablet/10mL . . . . 27321 3 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 27321 _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 pH 7.0 . pH 27321 1 pressure 1 . atm 27321 1 temperature 298 . K 27321 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 27321 _Sample_condition_list.ID 2 _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 pH 7.0 . pH 27321 2 pressure 1 . atm 27321 2 temperature 283 . K 27321 2 stop_ save_ ############################ # Computer software used # ############################ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 27321 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27321 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27321 1 stop_ save_ save_RNMRTK _Software.Sf_category software _Software.Sf_framecode RNMRTK _Software.Entry_ID 27321 _Software.ID 2 _Software.Type . _Software.Name RNMRTK _Software.Version v3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Alan Stern' . . 27321 2 'Jeffrey Hoch' . . 27321 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27321 2 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 27321 _Software.ID 3 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 27321 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27321 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 27321 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27321 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Agilent INOVA . 800 . . . 27321 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 27321 _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 . . . . . . . . . . . . . . . . 27321 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27321 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27321 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27321 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27321 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27321 1 7 '3D C(CO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27321 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27321 1 9 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27321 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27321 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27321 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27321 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27321 1 14 T1_relaxation_800 no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27321 1 15 T2_relaxation_800 no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27321 1 16 HetNOE_relaxation_800 no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27321 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 27321 _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 . indirect 0.251449530 . . . . . 27321 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external indirect 1.000000000 . . . . . 27321 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 27321 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 27321 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27321 1 2 '3D HNCO' . . . 27321 1 3 '3D HN(CA)CO' . . . 27321 1 4 '3D HNCACB' . . . 27321 1 5 '3D CBCA(CO)NH' . . . 27321 1 6 '3D HBHA(CO)NH' . . . 27321 1 7 '3D C(CO)NH-TOCSY' . . . 27321 1 8 '3D 1H-15N NOESY' . . . 27321 1 9 '2D 1H-13C HSQC aliphatic' . . . 27321 1 10 '3D HCCH-TOCSY' . . . 27321 1 11 '3D 1H-13C NOESY aliphatic' . . . 27321 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 ASP HA H 1 4.594 0.003 . 1 . . . . . 414 ASP HA . 27321 1 2 . 1 1 2 2 ASP HB2 H 1 2.632 0.007 . 2 . . . . . 414 ASP HB2 . 27321 1 3 . 1 1 2 2 ASP HB3 H 1 2.582 0.012 . 2 . . . . . 414 ASP HB3 . 27321 1 4 . 1 1 2 2 ASP C C 13 176.127 . . 1 . . . . . 414 ASP C . 27321 1 5 . 1 1 2 2 ASP CA C 13 54.413 0.073 . 1 . . . . . 414 ASP CA . 27321 1 6 . 1 1 2 2 ASP CB C 13 41.43 0.02 . 1 . . . . . 414 ASP CB . 27321 1 7 . 1 1 3 3 ARG H H 1 8.361 0.002 . 1 . . . . . 415 ARG H . 27321 1 8 . 1 1 3 3 ARG HA H 1 4.291 0.004 . 1 . . . . . 415 ARG HA . 27321 1 9 . 1 1 3 3 ARG HB2 H 1 2.317 . . 2 . . . . . 415 ARG HB2 . 27321 1 10 . 1 1 3 3 ARG C C 13 176.246 0.024 . 1 . . . . . 415 ARG C . 27321 1 11 . 1 1 3 3 ARG CA C 13 55.916 0.008 . 1 . . . . . 415 ARG CA . 27321 1 12 . 1 1 3 3 ARG CB C 13 30.991 0.031 . 1 . . . . . 415 ARG CB . 27321 1 13 . 1 1 3 3 ARG CG C 13 26.899 . . 1 . . . . . 415 ARG CG . 27321 1 14 . 1 1 3 3 ARG N N 15 120.422 0.009 . 1 . . . . . 415 ARG N . 27321 1 15 . 1 1 4 4 GLY H H 1 8.232 0.002 . 1 . . . . . 416 GLY H . 27321 1 16 . 1 1 4 4 GLY C C 13 172.093 . . 1 . . . . . 416 GLY C . 27321 1 17 . 1 1 4 4 GLY CA C 13 44.628 . . 1 . . . . . 416 GLY CA . 27321 1 18 . 1 1 4 4 GLY N N 15 109.9 0.01 . 1 . . . . . 416 GLY N . 27321 1 19 . 1 1 5 5 PRO HA H 1 4.304 0.006 . 1 . . . . . 417 PRO HA . 27321 1 20 . 1 1 5 5 PRO HB2 H 1 1.761 0.022 . 2 . . . . . 417 PRO HB2 . 27321 1 21 . 1 1 5 5 PRO HB3 H 1 2.183 0.025 . 2 . . . . . 417 PRO HB3 . 27321 1 22 . 1 1 5 5 PRO HD2 H 1 3.661 0.007 . 2 . . . . . 417 PRO HD2 . 27321 1 23 . 1 1 5 5 PRO C C 13 177.316 0.012 . 1 . . . . . 417 PRO C . 27321 1 24 . 1 1 5 5 PRO CA C 13 63.658 0.011 . 1 . . . . . 417 PRO CA . 27321 1 25 . 1 1 5 5 PRO CB C 13 32.009 0.045 . 1 . . . . . 417 PRO CB . 27321 1 26 . 1 1 5 5 PRO CG C 13 27.213 . . 1 . . . . . 417 PRO CG . 27321 1 27 . 1 1 5 5 PRO CD C 13 49.834 0.059 . 1 . . . . . 417 PRO CD . 27321 1 28 . 1 1 6 6 GLU H H 1 8.72 0.001 . 1 . . . . . 418 GLU H . 27321 1 29 . 1 1 6 6 GLU HA H 1 4.119 0.015 . 1 . . . . . 418 GLU HA . 27321 1 30 . 1 1 6 6 GLU HB2 H 1 1.814 0.013 . 2 . . . . . 418 GLU HB2 . 27321 1 31 . 1 1 6 6 GLU HB3 H 1 1.867 0.009 . 2 . . . . . 418 GLU HB3 . 27321 1 32 . 1 1 6 6 GLU HG2 H 1 2.022 0.012 . 2 . . . . . 418 GLU HG2 . 27321 1 33 . 1 1 6 6 GLU HG3 H 1 2.143 0.006 . 2 . . . . . 418 GLU HG3 . 27321 1 34 . 1 1 6 6 GLU C C 13 176.352 0.011 . 1 . . . . . 418 GLU C . 27321 1 35 . 1 1 6 6 GLU CA C 13 57.173 0.052 . 1 . . . . . 418 GLU CA . 27321 1 36 . 1 1 6 6 GLU CB C 13 29.536 0.027 . 1 . . . . . 418 GLU CB . 27321 1 37 . 1 1 6 6 GLU CG C 13 36.208 0.03 . 1 . . . . . 418 GLU CG . 27321 1 38 . 1 1 6 6 GLU N N 15 120.112 0.008 . 1 . . . . . 418 GLU N . 27321 1 39 . 1 1 7 7 PHE H H 1 7.884 0.002 . 1 . . . . . 419 PHE H . 27321 1 40 . 1 1 7 7 PHE HA H 1 4.529 0.016 . 1 . . . . . 419 PHE HA . 27321 1 41 . 1 1 7 7 PHE HB2 H 1 3.126 0.019 . 2 . . . . . 419 PHE HB2 . 27321 1 42 . 1 1 7 7 PHE HB3 H 1 2.94 0.017 . 2 . . . . . 419 PHE HB3 . 27321 1 43 . 1 1 7 7 PHE C C 13 175.652 0.011 . 1 . . . . . 419 PHE C . 27321 1 44 . 1 1 7 7 PHE CA C 13 57.894 0.086 . 1 . . . . . 419 PHE CA . 27321 1 45 . 1 1 7 7 PHE CB C 13 39.747 0.03 . 1 . . . . . 419 PHE CB . 27321 1 46 . 1 1 7 7 PHE N N 15 119.421 0.004 . 1 . . . . . 419 PHE N . 27321 1 47 . 1 1 8 8 GLU H H 1 8.1 0.001 . 1 . . . . . 420 GLU H . 27321 1 48 . 1 1 8 8 GLU HA H 1 4.236 0.013 . 1 . . . . . 420 GLU HA . 27321 1 49 . 1 1 8 8 GLU HB2 H 1 1.873 0.02 . 2 . . . . . 420 GLU HB2 . 27321 1 50 . 1 1 8 8 GLU HB3 H 1 2.006 0.024 . 2 . . . . . 420 GLU HB3 . 27321 1 51 . 1 1 8 8 GLU HG2 H 1 2.204 0.007 . 2 . . . . . 420 GLU HG2 . 27321 1 52 . 1 1 8 8 GLU C C 13 176.235 0.01 . 1 . . . . . 420 GLU C . 27321 1 53 . 1 1 8 8 GLU CA C 13 56.498 0.039 . 1 . . . . . 420 GLU CA . 27321 1 54 . 1 1 8 8 GLU CB C 13 30.338 0.039 . 1 . . . . . 420 GLU CB . 27321 1 55 . 1 1 8 8 GLU CG C 13 36.306 0.054 . 1 . . . . . 420 GLU CG . 27321 1 56 . 1 1 8 8 GLU N N 15 121.594 0.007 . 1 . . . . . 420 GLU N . 27321 1 57 . 1 1 9 9 LEU H H 1 8.118 0.002 . 1 . . . . . 421 LEU H . 27321 1 58 . 1 1 9 9 LEU HA H 1 4.253 0.041 . 1 . . . . . 421 LEU HA . 27321 1 59 . 1 1 9 9 LEU HB2 H 1 1.575 0.009 . 2 . . . . . 421 LEU HB2 . 27321 1 60 . 1 1 9 9 LEU C C 13 177.903 0.011 . 1 . . . . . 421 LEU C . 27321 1 61 . 1 1 9 9 LEU CA C 13 55.57 0.017 . 1 . . . . . 421 LEU CA . 27321 1 62 . 1 1 9 9 LEU CB C 13 42.334 0.011 . 1 . . . . . 421 LEU CB . 27321 1 63 . 1 1 9 9 LEU CG C 13 26.95 . . 1 . . . . . 421 LEU CG . 27321 1 64 . 1 1 9 9 LEU CD1 C 13 24.978 . . 2 . . . . . 421 LEU CD1 . 27321 1 65 . 1 1 9 9 LEU CD2 C 13 23.544 . . 2 . . . . . 421 LEU CD2 . 27321 1 66 . 1 1 9 9 LEU N N 15 122.696 0.009 . 1 . . . . . 421 LEU N . 27321 1 67 . 1 1 10 10 GLY H H 1 8.306 0.004 . 1 . . . . . 422 GLY H . 27321 1 68 . 1 1 10 10 GLY HA2 H 1 3.917 0.004 . 2 . . . . . 422 GLY HA2 . 27321 1 69 . 1 1 10 10 GLY C C 13 174.173 0.014 . 1 . . . . . 422 GLY C . 27321 1 70 . 1 1 10 10 GLY CA C 13 45.326 0.045 . 1 . . . . . 422 GLY CA . 27321 1 71 . 1 1 10 10 GLY N N 15 108.931 0.005 . 1 . . . . . 422 GLY N . 27321 1 72 . 1 1 11 11 THR H H 1 7.836 0.002 . 1 . . . . . 423 THR H . 27321 1 73 . 1 1 11 11 THR HA H 1 4.302 0.02 . 1 . . . . . 423 THR HA . 27321 1 74 . 1 1 11 11 THR HB H 1 4.153 0.013 . 1 . . . . . 423 THR HB . 27321 1 75 . 1 1 11 11 THR C C 13 174.212 0.019 . 1 . . . . . 423 THR C . 27321 1 76 . 1 1 11 11 THR CA C 13 61.568 0.047 . 1 . . . . . 423 THR CA . 27321 1 77 . 1 1 11 11 THR CB C 13 69.808 0.047 . 1 . . . . . 423 THR CB . 27321 1 78 . 1 1 11 11 THR CG2 C 13 21.709 0.016 . 1 . . . . . 423 THR CG2 . 27321 1 79 . 1 1 11 11 THR N N 15 113.071 0.013 . 1 . . . . . 423 THR N . 27321 1 80 . 1 1 12 12 LEU H H 1 8.093 0.002 . 1 . . . . . 424 LEU H . 27321 1 81 . 1 1 12 12 LEU HA H 1 4.59 0.005 . 1 . . . . . 424 LEU HA . 27321 1 82 . 1 1 12 12 LEU HB2 H 1 1.656 . . 2 . . . . . 424 LEU HB2 . 27321 1 83 . 1 1 12 12 LEU HB3 H 1 1.577 . . 2 . . . . . 424 LEU HB3 . 27321 1 84 . 1 1 12 12 LEU HG H 1 1.528 . . 1 . . . . . 424 LEU HG . 27321 1 85 . 1 1 12 12 LEU C C 13 174.974 . . 1 . . . . . 424 LEU C . 27321 1 86 . 1 1 12 12 LEU CA C 13 52.955 0.052 . 1 . . . . . 424 LEU CA . 27321 1 87 . 1 1 12 12 LEU CB C 13 41.824 . . 1 . . . . . 424 LEU CB . 27321 1 88 . 1 1 12 12 LEU N N 15 125.621 0.007 . 1 . . . . . 424 LEU N . 27321 1 89 . 1 1 13 13 PRO HA H 1 4.315 0.006 . 1 . . . . . 425 PRO HA . 27321 1 90 . 1 1 13 13 PRO HB2 H 1 2.169 . . 2 . . . . . 425 PRO HB2 . 27321 1 91 . 1 1 13 13 PRO HB3 H 1 1.808 . . 2 . . . . . 425 PRO HB3 . 27321 1 92 . 1 1 13 13 PRO HD2 H 1 3.714 0.002 . 2 . . . . . 425 PRO HD2 . 27321 1 93 . 1 1 13 13 PRO C C 13 176.368 0.003 . 1 . . . . . 425 PRO C . 27321 1 94 . 1 1 13 13 PRO CA C 13 62.856 0.02 . 1 . . . . . 425 PRO CA . 27321 1 95 . 1 1 13 13 PRO CB C 13 31.96 . . 1 . . . . . 425 PRO CB . 27321 1 96 . 1 1 13 13 PRO CG C 13 27.357 . . 1 . . . . . 425 PRO CG . 27321 1 97 . 1 1 13 13 PRO CD C 13 50.436 0.022 . 1 . . . . . 425 PRO CD . 27321 1 98 . 1 1 14 14 ARG H H 1 8.212 0.002 . 1 . . . . . 426 ARG H . 27321 1 99 . 1 1 14 14 ARG HA H 1 4.246 0.002 . 1 . . . . . 426 ARG HA . 27321 1 100 . 1 1 14 14 ARG HB2 H 1 1.683 . . 2 . . . . . 426 ARG HB2 . 27321 1 101 . 1 1 14 14 ARG C C 13 175.719 0.011 . 1 . . . . . 426 ARG C . 27321 1 102 . 1 1 14 14 ARG CA C 13 55.495 0.013 . 1 . . . . . 426 ARG CA . 27321 1 103 . 1 1 14 14 ARG CB C 13 31.433 0.048 . 1 . . . . . 426 ARG CB . 27321 1 104 . 1 1 14 14 ARG CG C 13 26.949 . . 1 . . . . . 426 ARG CG . 27321 1 105 . 1 1 14 14 ARG CD C 13 43.332 . . 1 . . . . . 426 ARG CD . 27321 1 106 . 1 1 14 14 ARG N N 15 121.211 0.014 . 1 . . . . . 426 ARG N . 27321 1 107 . 1 1 15 15 ASP H H 1 8.455 0.002 . 1 . . . . . 427 ASP H . 27321 1 108 . 1 1 15 15 ASP HA H 1 4.813 0.003 . 1 . . . . . 427 ASP HA . 27321 1 109 . 1 1 15 15 ASP HB2 H 1 2.488 0.006 . 2 . . . . . 427 ASP HB2 . 27321 1 110 . 1 1 15 15 ASP HB3 H 1 2.746 0.004 . 2 . . . . . 427 ASP HB3 . 27321 1 111 . 1 1 15 15 ASP C C 13 174.812 . . 1 . . . . . 427 ASP C . 27321 1 112 . 1 1 15 15 ASP CA C 13 52.528 0.013 . 1 . . . . . 427 ASP CA . 27321 1 113 . 1 1 15 15 ASP CB C 13 41.106 0.027 . 1 . . . . . 427 ASP CB . 27321 1 114 . 1 1 15 15 ASP N N 15 123.777 0.008 . 1 . . . . . 427 ASP N . 27321 1 115 . 1 1 16 16 PRO HA H 1 4.267 0.005 . 1 . . . . . 428 PRO HA . 27321 1 116 . 1 1 16 16 PRO HB2 H 1 2.201 0.016 . 2 . . . . . 428 PRO HB2 . 27321 1 117 . 1 1 16 16 PRO HB3 H 1 1.858 0.01 . 2 . . . . . 428 PRO HB3 . 27321 1 118 . 1 1 16 16 PRO HD2 H 1 3.847 0.003 . 2 . . . . . 428 PRO HD2 . 27321 1 119 . 1 1 16 16 PRO C C 13 177.196 0.013 . 1 . . . . . 428 PRO C . 27321 1 120 . 1 1 16 16 PRO CA C 13 63.807 0.025 . 1 . . . . . 428 PRO CA . 27321 1 121 . 1 1 16 16 PRO CB C 13 32.088 0.027 . 1 . . . . . 428 PRO CB . 27321 1 122 . 1 1 16 16 PRO CG C 13 27.392 . . 1 . . . . . 428 PRO CG . 27321 1 123 . 1 1 16 16 PRO CD C 13 50.721 0.017 . 1 . . . . . 428 PRO CD . 27321 1 124 . 1 1 17 17 GLU H H 1 8.513 0.002 . 1 . . . . . 429 GLU H . 27321 1 125 . 1 1 17 17 GLU HA H 1 4.198 0.031 . 1 . . . . . 429 GLU HA . 27321 1 126 . 1 1 17 17 GLU HB2 H 1 1.982 . . 2 . . . . . 429 GLU HB2 . 27321 1 127 . 1 1 17 17 GLU HB3 H 1 1.845 . . 2 . . . . . 429 GLU HB3 . 27321 1 128 . 1 1 17 17 GLU C C 13 176.218 0.012 . 1 . . . . . 429 GLU C . 27321 1 129 . 1 1 17 17 GLU CA C 13 56.718 0.06 . 1 . . . . . 429 GLU CA . 27321 1 130 . 1 1 17 17 GLU CB C 13 29.994 0.019 . 1 . . . . . 429 GLU CB . 27321 1 131 . 1 1 17 17 GLU CG C 13 36.547 . . 1 . . . . . 429 GLU CG . 27321 1 132 . 1 1 17 17 GLU N N 15 118.988 0.02 . 1 . . . . . 429 GLU N . 27321 1 133 . 1 1 18 18 ASP H H 1 8.063 0.002 . 1 . . . . . 430 ASP H . 27321 1 134 . 1 1 18 18 ASP HA H 1 4.586 0.017 . 1 . . . . . 430 ASP HA . 27321 1 135 . 1 1 18 18 ASP HB2 H 1 2.726 0.032 . 2 . . . . . 430 ASP HB2 . 27321 1 136 . 1 1 18 18 ASP HB3 H 1 2.598 0.02 . 2 . . . . . 430 ASP HB3 . 27321 1 137 . 1 1 18 18 ASP C C 13 176.012 0.01 . 1 . . . . . 430 ASP C . 27321 1 138 . 1 1 18 18 ASP CA C 13 54.161 0.018 . 1 . . . . . 430 ASP CA . 27321 1 139 . 1 1 18 18 ASP CB C 13 41.141 0.038 . 1 . . . . . 430 ASP CB . 27321 1 140 . 1 1 18 18 ASP N N 15 120.431 0.008 . 1 . . . . . 430 ASP N . 27321 1 141 . 1 1 19 19 LEU H H 1 7.967 0.002 . 1 . . . . . 431 LEU H . 27321 1 142 . 1 1 19 19 LEU HA H 1 4.287 0.024 . 1 . . . . . 431 LEU HA . 27321 1 143 . 1 1 19 19 LEU HB2 H 1 1.561 0.044 . 2 . . . . . 431 LEU HB2 . 27321 1 144 . 1 1 19 19 LEU HG H 1 1.56 . . 1 . . . . . 431 LEU HG . 27321 1 145 . 1 1 19 19 LEU C C 13 177.495 0.013 . 1 . . . . . 431 LEU C . 27321 1 146 . 1 1 19 19 LEU CA C 13 55.055 0.03 . 1 . . . . . 431 LEU CA . 27321 1 147 . 1 1 19 19 LEU CB C 13 42.436 0.027 . 1 . . . . . 431 LEU CB . 27321 1 148 . 1 1 19 19 LEU CG C 13 26.827 . . 1 . . . . . 431 LEU CG . 27321 1 149 . 1 1 19 19 LEU CD1 C 13 25.115 . . 2 . . . . . 431 LEU CD1 . 27321 1 150 . 1 1 19 19 LEU CD2 C 13 23.354 . . 2 . . . . . 431 LEU CD2 . 27321 1 151 . 1 1 19 19 LEU N N 15 122.16 0.018 . 1 . . . . . 431 LEU N . 27321 1 152 . 1 1 20 20 GLU H H 1 8.282 0.002 . 1 . . . . . 432 GLU H . 27321 1 153 . 1 1 20 20 GLU HA H 1 4.232 0.025 . 1 . . . . . 432 GLU HA . 27321 1 154 . 1 1 20 20 GLU HB2 H 1 1.918 . . 2 . . . . . 432 GLU HB2 . 27321 1 155 . 1 1 20 20 GLU C C 13 176.048 0.012 . 1 . . . . . 432 GLU C . 27321 1 156 . 1 1 20 20 GLU CA C 13 56.669 0.101 . 1 . . . . . 432 GLU CA . 27321 1 157 . 1 1 20 20 GLU CB C 13 30.225 0.018 . 1 . . . . . 432 GLU CB . 27321 1 158 . 1 1 20 20 GLU CG C 13 36.221 . . 1 . . . . . 432 GLU CG . 27321 1 159 . 1 1 20 20 GLU N N 15 120.901 0.007 . 1 . . . . . 432 GLU N . 27321 1 160 . 1 1 21 21 ASP H H 1 8.237 0.003 . 1 . . . . . 433 ASP H . 27321 1 161 . 1 1 21 21 ASP HA H 1 4.638 0.018 . 1 . . . . . 433 ASP HA . 27321 1 162 . 1 1 21 21 ASP HB2 H 1 2.6 0.011 . 2 . . . . . 433 ASP HB2 . 27321 1 163 . 1 1 21 21 ASP HB3 H 1 2.651 0.015 . 2 . . . . . 433 ASP HB3 . 27321 1 164 . 1 1 21 21 ASP C C 13 176.192 0.012 . 1 . . . . . 433 ASP C . 27321 1 165 . 1 1 21 21 ASP CA C 13 54.046 0.035 . 1 . . . . . 433 ASP CA . 27321 1 166 . 1 1 21 21 ASP CB C 13 41.391 0.04 . 1 . . . . . 433 ASP CB . 27321 1 167 . 1 1 21 21 ASP N N 15 120.667 0.023 . 1 . . . . . 433 ASP N . 27321 1 168 . 1 1 22 22 GLY H H 1 7.969 0.002 . 1 . . . . . 434 GLY H . 27321 1 169 . 1 1 22 22 GLY HA2 H 1 4.06 0.005 . 2 . . . . . 434 GLY HA2 . 27321 1 170 . 1 1 22 22 GLY C C 13 172.278 . . 1 . . . . . 434 GLY C . 27321 1 171 . 1 1 22 22 GLY CA C 13 44.875 0.033 . 1 . . . . . 434 GLY CA . 27321 1 172 . 1 1 22 22 GLY N N 15 108.462 0.008 . 1 . . . . . 434 GLY N . 27321 1 173 . 1 1 23 23 PRO HA H 1 4.367 0.015 . 1 . . . . . 435 PRO HA . 27321 1 174 . 1 1 23 23 PRO HB2 H 1 2.268 0.024 . 2 . . . . . 435 PRO HB2 . 27321 1 175 . 1 1 23 23 PRO HB3 H 1 1.924 0.022 . 2 . . . . . 435 PRO HB3 . 27321 1 176 . 1 1 23 23 PRO HG2 H 1 1.953 0.033 . 2 . . . . . 435 PRO HG2 . 27321 1 177 . 1 1 23 23 PRO HD2 H 1 3.593 0.005 . 2 . . . . . 435 PRO HD2 . 27321 1 178 . 1 1 23 23 PRO HD3 H 1 3.768 . . 2 . . . . . 435 PRO HD3 . 27321 1 179 . 1 1 23 23 PRO C C 13 177.369 0.012 . 1 . . . . . 435 PRO C . 27321 1 180 . 1 1 23 23 PRO CA C 13 63.702 0.042 . 1 . . . . . 435 PRO CA . 27321 1 181 . 1 1 23 23 PRO CB C 13 32.051 0.031 . 1 . . . . . 435 PRO CB . 27321 1 182 . 1 1 23 23 PRO CG C 13 27.202 . . 1 . . . . . 435 PRO CG . 27321 1 183 . 1 1 23 23 PRO CD C 13 49.803 0.031 . 1 . . . . . 435 PRO CD . 27321 1 184 . 1 1 24 24 CYS H H 1 8.418 0.001 . 1 . . . . . 436 CYS H . 27321 1 185 . 1 1 24 24 CYS HA H 1 4.422 0.013 . 1 . . . . . 436 CYS HA . 27321 1 186 . 1 1 24 24 CYS HB2 H 1 2.844 0.006 . 2 . . . . . 436 CYS HB2 . 27321 1 187 . 1 1 24 24 CYS HB3 H 1 2.948 0.007 . 2 . . . . . 436 CYS HB3 . 27321 1 188 . 1 1 24 24 CYS C C 13 175.165 0.017 . 1 . . . . . 436 CYS C . 27321 1 189 . 1 1 24 24 CYS CA C 13 58.69 0.052 . 1 . . . . . 436 CYS CA . 27321 1 190 . 1 1 24 24 CYS CB C 13 27.669 0.062 . 1 . . . . . 436 CYS CB . 27321 1 191 . 1 1 24 24 CYS N N 15 117.978 0.007 . 1 . . . . . 436 CYS N . 27321 1 192 . 1 1 25 25 GLY H H 1 8.197 0.002 . 1 . . . . . 437 GLY H . 27321 1 193 . 1 1 25 25 GLY HA2 H 1 3.863 0.011 . 2 . . . . . 437 GLY HA2 . 27321 1 194 . 1 1 25 25 GLY C C 13 173.998 0.02 . 1 . . . . . 437 GLY C . 27321 1 195 . 1 1 25 25 GLY CA C 13 45.365 0.142 . 1 . . . . . 437 GLY CA . 27321 1 196 . 1 1 25 25 GLY N N 15 110.219 0.01 . 1 . . . . . 437 GLY N . 27321 1 197 . 1 1 26 26 HIS H H 1 8.184 0.015 . 1 . . . . . 438 HIS H . 27321 1 198 . 1 1 26 26 HIS C C 13 175.3 . . 1 . . . . . 438 HIS C . 27321 1 199 . 1 1 26 26 HIS CA C 13 56.164 . . 1 . . . . . 438 HIS CA . 27321 1 200 . 1 1 26 26 HIS CB C 13 30.312 . . 1 . . . . . 438 HIS CB . 27321 1 201 . 1 1 26 26 HIS N N 15 119.066 0.131 . 1 . . . . . 438 HIS N . 27321 1 202 . 1 1 32 32 GLY H H 1 8.262 0.002 . 1 . . . . . 444 GLY H . 27321 1 203 . 1 1 32 32 GLY N N 15 108.63 0.018 . 1 . . . . . 444 GLY N . 27321 1 204 . 1 1 37 37 GLY HA2 H 1 3.888 0.017 . 2 . . . . . 449 GLY HA2 . 27321 1 205 . 1 1 37 37 GLY C C 13 173.935 0.009 . 1 . . . . . 449 GLY C . 27321 1 206 . 1 1 37 37 GLY CA C 13 45.239 0.076 . 1 . . . . . 449 GLY CA . 27321 1 207 . 1 1 38 38 VAL H H 1 7.922 0.002 . 1 . . . . . 450 VAL H . 27321 1 208 . 1 1 38 38 VAL HA H 1 4.136 0.023 . 1 . . . . . 450 VAL HA . 27321 1 209 . 1 1 38 38 VAL HB H 1 2.046 0.018 . 1 . . . . . 450 VAL HB . 27321 1 210 . 1 1 38 38 VAL C C 13 176.056 0.011 . 1 . . . . . 450 VAL C . 27321 1 211 . 1 1 38 38 VAL CA C 13 62.067 0.045 . 1 . . . . . 450 VAL CA . 27321 1 212 . 1 1 38 38 VAL CB C 13 32.853 0.06 . 1 . . . . . 450 VAL CB . 27321 1 213 . 1 1 38 38 VAL CG1 C 13 21.192 0.06 . 2 . . . . . 450 VAL CG1 . 27321 1 214 . 1 1 38 38 VAL CG2 C 13 20.478 0.052 . 2 . . . . . 450 VAL CG2 . 27321 1 215 . 1 1 38 38 VAL N N 15 119.048 0.007 . 1 . . . . . 450 VAL N . 27321 1 216 . 1 1 39 39 SER H H 1 8.297 0.001 . 1 . . . . . 451 SER H . 27321 1 217 . 1 1 39 39 SER HA H 1 4.373 0.004 . 1 . . . . . 451 SER HA . 27321 1 218 . 1 1 39 39 SER HB2 H 1 3.768 0.009 . 2 . . . . . 451 SER HB2 . 27321 1 219 . 1 1 39 39 SER C C 13 174.371 0.01 . 1 . . . . . 451 SER C . 27321 1 220 . 1 1 39 39 SER CA C 13 58.148 0.035 . 1 . . . . . 451 SER CA . 27321 1 221 . 1 1 39 39 SER CB C 13 63.68 0.072 . 1 . . . . . 451 SER CB . 27321 1 222 . 1 1 39 39 SER N N 15 119.217 0.009 . 1 . . . . . 451 SER N . 27321 1 223 . 1 1 40 40 LEU H H 1 8.193 0.002 . 1 . . . . . 452 LEU H . 27321 1 224 . 1 1 40 40 LEU HA H 1 4.301 0.018 . 1 . . . . . 452 LEU HA . 27321 1 225 . 1 1 40 40 LEU HB2 H 1 1.523 0.022 . 2 . . . . . 452 LEU HB2 . 27321 1 226 . 1 1 40 40 LEU HB3 H 1 1.566 0.003 . 2 . . . . . 452 LEU HB3 . 27321 1 227 . 1 1 40 40 LEU HG H 1 1.574 0.002 . 1 . . . . . 452 LEU HG . 27321 1 228 . 1 1 40 40 LEU C C 13 176.931 0.011 . 1 . . . . . 452 LEU C . 27321 1 229 . 1 1 40 40 LEU CA C 13 55.11 0.047 . 1 . . . . . 452 LEU CA . 27321 1 230 . 1 1 40 40 LEU CB C 13 42.333 0.061 . 1 . . . . . 452 LEU CB . 27321 1 231 . 1 1 40 40 LEU CG C 13 27.054 0.045 . 1 . . . . . 452 LEU CG . 27321 1 232 . 1 1 40 40 LEU CD1 C 13 24.995 0.081 . 2 . . . . . 452 LEU CD1 . 27321 1 233 . 1 1 40 40 LEU CD2 C 13 23.491 0.016 . 2 . . . . . 452 LEU CD2 . 27321 1 234 . 1 1 40 40 LEU N N 15 124.399 0.006 . 1 . . . . . 452 LEU N . 27321 1 235 . 1 1 41 41 GLN H H 1 8.221 0.002 . 1 . . . . . 453 GLN H . 27321 1 236 . 1 1 41 41 GLN HA H 1 4.284 0.02 . 1 . . . . . 453 GLN HA . 27321 1 237 . 1 1 41 41 GLN HB2 H 1 1.881 0.046 . 2 . . . . . 453 GLN HB2 . 27321 1 238 . 1 1 41 41 GLN HB3 H 1 2.014 0.051 . 2 . . . . . 453 GLN HB3 . 27321 1 239 . 1 1 41 41 GLN HG2 H 1 2.288 0.04 . 2 . . . . . 453 GLN HG2 . 27321 1 240 . 1 1 41 41 GLN HG3 H 1 2.288 0.04 . 2 . . . . . 453 GLN HG3 . 27321 1 241 . 1 1 41 41 GLN C C 13 175.426 0.011 . 1 . . . . . 453 GLN C . 27321 1 242 . 1 1 41 41 GLN CA C 13 55.583 0.106 . 1 . . . . . 453 GLN CA . 27321 1 243 . 1 1 41 41 GLN CB C 13 29.403 0.118 . 1 . . . . . 453 GLN CB . 27321 1 244 . 1 1 41 41 GLN CG C 13 33.766 0.039 . 1 . . . . . 453 GLN CG . 27321 1 245 . 1 1 41 41 GLN N N 15 120.819 0.013 . 1 . . . . . 453 GLN N . 27321 1 246 . 1 1 42 42 LEU H H 1 8.06 0.001 . 1 . . . . . 454 LEU H . 27321 1 247 . 1 1 42 42 LEU HA H 1 4.327 0.023 . 1 . . . . . 454 LEU HA . 27321 1 248 . 1 1 42 42 LEU HB2 H 1 1.534 0.019 . 2 . . . . . 454 LEU HB2 . 27321 1 249 . 1 1 42 42 LEU C C 13 176.501 0.01 . 1 . . . . . 454 LEU C . 27321 1 250 . 1 1 42 42 LEU CA C 13 54.582 0.049 . 1 . . . . . 454 LEU CA . 27321 1 251 . 1 1 42 42 LEU CB C 13 42.451 0.113 . 1 . . . . . 454 LEU CB . 27321 1 252 . 1 1 42 42 LEU CG C 13 26.903 . . 1 . . . . . 454 LEU CG . 27321 1 253 . 1 1 42 42 LEU CD1 C 13 25.089 . . 2 . . . . . 454 LEU CD1 . 27321 1 254 . 1 1 42 42 LEU CD2 C 13 23.41 . . 2 . . . . . 454 LEU CD2 . 27321 1 255 . 1 1 42 42 LEU N N 15 123.362 0.007 . 1 . . . . . 454 LEU N . 27321 1 256 . 1 1 43 43 ALA H H 1 8.268 0.002 . 1 . . . . . 455 ALA H . 27321 1 257 . 1 1 43 43 ALA HA H 1 4.555 0.002 . 1 . . . . . 455 ALA HA . 27321 1 258 . 1 1 43 43 ALA C C 13 175.53 . . 1 . . . . . 455 ALA C . 27321 1 259 . 1 1 43 43 ALA CA C 13 50.373 0.017 . 1 . . . . . 455 ALA CA . 27321 1 260 . 1 1 43 43 ALA CB C 13 18.163 0.018 . 1 . . . . . 455 ALA CB . 27321 1 261 . 1 1 43 43 ALA N N 15 125.786 0.006 . 1 . . . . . 455 ALA N . 27321 1 262 . 1 1 44 44 PRO HA H 1 4.356 0.013 . 1 . . . . . 456 PRO HA . 27321 1 263 . 1 1 44 44 PRO HB2 H 1 2.293 0.02 . 2 . . . . . 456 PRO HB2 . 27321 1 264 . 1 1 44 44 PRO HB3 H 1 1.847 0.006 . 2 . . . . . 456 PRO HB3 . 27321 1 265 . 1 1 44 44 PRO HG2 H 1 1.991 0.002 . 2 . . . . . 456 PRO HG2 . 27321 1 266 . 1 1 44 44 PRO HD2 H 1 3.584 0.011 . 2 . . . . . 456 PRO HD2 . 27321 1 267 . 1 1 44 44 PRO HD3 H 1 3.8 0.001 . 2 . . . . . 456 PRO HD3 . 27321 1 268 . 1 1 44 44 PRO C C 13 177.299 0.013 . 1 . . . . . 456 PRO C . 27321 1 269 . 1 1 44 44 PRO CA C 13 63.602 0.091 . 1 . . . . . 456 PRO CA . 27321 1 270 . 1 1 44 44 PRO CB C 13 32.018 0.034 . 1 . . . . . 456 PRO CB . 27321 1 271 . 1 1 44 44 PRO CG C 13 27.422 0.072 . 1 . . . . . 456 PRO CG . 27321 1 272 . 1 1 44 44 PRO CD C 13 50.527 0.049 . 1 . . . . . 456 PRO CD . 27321 1 273 . 1 1 45 45 SER H H 1 8.224 0.002 . 1 . . . . . 457 SER H . 27321 1 274 . 1 1 45 45 SER HA H 1 4.279 0.015 . 1 . . . . . 457 SER HA . 27321 1 275 . 1 1 45 45 SER HB2 H 1 3.809 0.007 . 2 . . . . . 457 SER HB2 . 27321 1 276 . 1 1 45 45 SER HB3 H 1 3.889 0.011 . 2 . . . . . 457 SER HB3 . 27321 1 277 . 1 1 45 45 SER C C 13 174.912 0.008 . 1 . . . . . 457 SER C . 27321 1 278 . 1 1 45 45 SER CA C 13 58.993 0.039 . 1 . . . . . 457 SER CA . 27321 1 279 . 1 1 45 45 SER CB C 13 63.503 0.138 . 1 . . . . . 457 SER CB . 27321 1 280 . 1 1 45 45 SER N N 15 114.78 0.011 . 1 . . . . . 457 SER N . 27321 1 281 . 1 1 46 46 GLU H H 1 8.355 0.003 . 1 . . . . . 458 GLU H . 27321 1 282 . 1 1 46 46 GLU HA H 1 4.257 0.017 . 1 . . . . . 458 GLU HA . 27321 1 283 . 1 1 46 46 GLU HB2 H 1 1.965 0.015 . 2 . . . . . 458 GLU HB2 . 27321 1 284 . 1 1 46 46 GLU HB3 H 1 2.059 0.003 . 2 . . . . . 458 GLU HB3 . 27321 1 285 . 1 1 46 46 GLU HG2 H 1 2.204 0.021 . 2 . . . . . 458 GLU HG2 . 27321 1 286 . 1 1 46 46 GLU C C 13 176.26 0.015 . 1 . . . . . 458 GLU C . 27321 1 287 . 1 1 46 46 GLU CA C 13 56.661 0.101 . 1 . . . . . 458 GLU CA . 27321 1 288 . 1 1 46 46 GLU CB C 13 30.172 0.065 . 1 . . . . . 458 GLU CB . 27321 1 289 . 1 1 46 46 GLU CG C 13 36.331 0.049 . 1 . . . . . 458 GLU CG . 27321 1 290 . 1 1 46 46 GLU N N 15 122.141 0.013 . 1 . . . . . 458 GLU N . 27321 1 291 . 1 1 47 47 LEU H H 1 7.951 0.003 . 1 . . . . . 459 LEU H . 27321 1 292 . 1 1 47 47 LEU HA H 1 4.249 0.005 . 1 . . . . . 459 LEU HA . 27321 1 293 . 1 1 47 47 LEU HB2 H 1 1.572 0.021 . 2 . . . . . 459 LEU HB2 . 27321 1 294 . 1 1 47 47 LEU C C 13 177.032 0.016 . 1 . . . . . 459 LEU C . 27321 1 295 . 1 1 47 47 LEU CA C 13 55.116 0.015 . 1 . . . . . 459 LEU CA . 27321 1 296 . 1 1 47 47 LEU CB C 13 42.005 0.187 . 1 . . . . . 459 LEU CB . 27321 1 297 . 1 1 47 47 LEU CG C 13 26.969 . . 1 . . . . . 459 LEU CG . 27321 1 298 . 1 1 47 47 LEU CD1 C 13 23.586 . . 2 . . . . . 459 LEU CD1 . 27321 1 299 . 1 1 47 47 LEU CD2 C 13 24.946 . . 2 . . . . . 459 LEU CD2 . 27321 1 300 . 1 1 47 47 LEU N N 15 121.969 0.016 . 1 . . . . . 459 LEU N . 27321 1 301 . 1 1 48 48 ARG H H 1 8.085 0.003 . 1 . . . . . 460 ARG H . 27321 1 302 . 1 1 48 48 ARG HA H 1 4.302 0.015 . 1 . . . . . 460 ARG HA . 27321 1 303 . 1 1 48 48 ARG HB2 H 1 1.716 0.01 . 2 . . . . . 460 ARG HB2 . 27321 1 304 . 1 1 48 48 ARG HB3 H 1 1.802 0.006 . 2 . . . . . 460 ARG HB3 . 27321 1 305 . 1 1 48 48 ARG HG2 H 1 1.568 0.012 . 2 . . . . . 460 ARG HG2 . 27321 1 306 . 1 1 48 48 ARG HD2 H 1 3.144 0.006 . 2 . . . . . 460 ARG HD2 . 27321 1 307 . 1 1 48 48 ARG C C 13 175.725 0.023 . 1 . . . . . 460 ARG C . 27321 1 308 . 1 1 48 48 ARG CA C 13 55.978 . . 1 . . . . . 460 ARG CA . 27321 1 309 . 1 1 48 48 ARG CB C 13 30.702 0.067 . 1 . . . . . 460 ARG CB . 27321 1 310 . 1 1 48 48 ARG CG C 13 27.118 0.07 . 1 . . . . . 460 ARG CG . 27321 1 311 . 1 1 48 48 ARG CD C 13 43.181 0.07 . 1 . . . . . 460 ARG CD . 27321 1 312 . 1 1 48 48 ARG N N 15 121.339 0.02 . 1 . . . . . 460 ARG N . 27321 1 313 . 1 1 49 49 GLN H H 1 8.191 0.005 . 1 . . . . . 461 GLN H . 27321 1 314 . 1 1 49 49 GLN HA H 1 4.584 0.004 . 1 . . . . . 461 GLN HA . 27321 1 315 . 1 1 49 49 GLN HB2 H 1 2.065 0.007 . 2 . . . . . 461 GLN HB2 . 27321 1 316 . 1 1 49 49 GLN HB3 H 1 1.896 0.003 . 2 . . . . . 461 GLN HB3 . 27321 1 317 . 1 1 49 49 GLN HG2 H 1 2.354 0.003 . 2 . . . . . 461 GLN HG2 . 27321 1 318 . 1 1 49 49 GLN HG3 H 1 2.354 0.003 . 2 . . . . . 461 GLN HG3 . 27321 1 319 . 1 1 49 49 GLN C C 13 173.712 . . 1 . . . . . 461 GLN C . 27321 1 320 . 1 1 49 49 GLN CA C 13 53.474 0.072 . 1 . . . . . 461 GLN CA . 27321 1 321 . 1 1 49 49 GLN CB C 13 29.042 0.073 . 1 . . . . . 461 GLN CB . 27321 1 322 . 1 1 49 49 GLN CG C 13 33.442 0.02 . 1 . . . . . 461 GLN CG . 27321 1 323 . 1 1 49 49 GLN N N 15 122.057 0.013 . 1 . . . . . 461 GLN N . 27321 1 324 . 1 1 50 50 PRO HA H 1 4.343 0.006 . 1 . . . . . 462 PRO HA . 27321 1 325 . 1 1 50 50 PRO HB2 H 1 1.798 . . 2 . . . . . 462 PRO HB2 . 27321 1 326 . 1 1 50 50 PRO HB3 H 1 2.184 . . 2 . . . . . 462 PRO HB3 . 27321 1 327 . 1 1 50 50 PRO C C 13 176.382 0.012 . 1 . . . . . 462 PRO C . 27321 1 328 . 1 1 50 50 PRO CA C 13 62.921 0.039 . 1 . . . . . 462 PRO CA . 27321 1 329 . 1 1 50 50 PRO CB C 13 32.062 0.007 . 1 . . . . . 462 PRO CB . 27321 1 330 . 1 1 50 50 PRO CG C 13 27.318 . . 1 . . . . . 462 PRO CG . 27321 1 331 . 1 1 50 50 PRO CD C 13 50.577 . . 1 . . . . . 462 PRO CD . 27321 1 332 . 1 1 51 51 LYS H H 1 8.27 0.003 . 1 . . . . . 463 LYS H . 27321 1 333 . 1 1 51 51 LYS HE2 H 1 3.153 0.002 . 2 . . . . . 463 LYS HE2 . 27321 1 334 . 1 1 51 51 LYS C C 13 174.021 . . 1 . . . . . 463 LYS C . 27321 1 335 . 1 1 51 51 LYS CA C 13 53.934 . . 1 . . . . . 463 LYS CA . 27321 1 336 . 1 1 51 51 LYS CB C 13 32.523 . . 1 . . . . . 463 LYS CB . 27321 1 337 . 1 1 51 51 LYS CE C 13 43.248 0.014 . 1 . . . . . 463 LYS CE . 27321 1 338 . 1 1 51 51 LYS N N 15 122.541 0.01 . 1 . . . . . 463 LYS N . 27321 1 339 . 1 1 53 53 PRO HA H 1 4.359 0.017 . 1 . . . . . 465 PRO HA . 27321 1 340 . 1 1 53 53 PRO HB2 H 1 1.84 0.015 . 2 . . . . . 465 PRO HB2 . 27321 1 341 . 1 1 53 53 PRO HB3 H 1 2.228 0.014 . 2 . . . . . 465 PRO HB3 . 27321 1 342 . 1 1 53 53 PRO HG2 H 1 1.987 0.005 . 2 . . . . . 465 PRO HG2 . 27321 1 343 . 1 1 53 53 PRO HD2 H 1 3.628 0.009 . 2 . . . . . 465 PRO HD2 . 27321 1 344 . 1 1 53 53 PRO HD3 H 1 3.774 0.013 . 2 . . . . . 465 PRO HD3 . 27321 1 345 . 1 1 53 53 PRO C C 13 176.622 0.008 . 1 . . . . . 465 PRO C . 27321 1 346 . 1 1 53 53 PRO CA C 13 63.187 0.068 . 1 . . . . . 465 PRO CA . 27321 1 347 . 1 1 53 53 PRO CB C 13 32.009 0.042 . 1 . . . . . 465 PRO CB . 27321 1 348 . 1 1 53 53 PRO CG C 13 27.336 0.036 . 1 . . . . . 465 PRO CG . 27321 1 349 . 1 1 53 53 PRO CD C 13 50.475 0.096 . 1 . . . . . 465 PRO CD . 27321 1 350 . 1 1 54 54 HIS H H 1 8.121 0.001 . 1 . . . . . 466 HIS H . 27321 1 351 . 1 1 54 54 HIS HA H 1 4.561 0.015 . 1 . . . . . 466 HIS HA . 27321 1 352 . 1 1 54 54 HIS HB2 H 1 3.091 0.022 . 2 . . . . . 466 HIS HB2 . 27321 1 353 . 1 1 54 54 HIS HB3 H 1 3.172 0.003 . 2 . . . . . 466 HIS HB3 . 27321 1 354 . 1 1 54 54 HIS C C 13 175.222 0.013 . 1 . . . . . 466 HIS C . 27321 1 355 . 1 1 54 54 HIS CA C 13 56.057 0.06 . 1 . . . . . 466 HIS CA . 27321 1 356 . 1 1 54 54 HIS CB C 13 30.464 0.118 . 1 . . . . . 466 HIS CB . 27321 1 357 . 1 1 54 54 HIS N N 15 118.162 0.009 . 1 . . . . . 466 HIS N . 27321 1 358 . 1 1 55 55 GLU H H 1 8.239 0.002 . 1 . . . . . 467 GLU H . 27321 1 359 . 1 1 55 55 GLU HA H 1 4.191 0.005 . 1 . . . . . 467 GLU HA . 27321 1 360 . 1 1 55 55 GLU HB2 H 1 1.872 . . 2 . . . . . 467 GLU HB2 . 27321 1 361 . 1 1 55 55 GLU C C 13 176.67 0.009 . 1 . . . . . 467 GLU C . 27321 1 362 . 1 1 55 55 GLU CA C 13 56.725 0.014 . 1 . . . . . 467 GLU CA . 27321 1 363 . 1 1 55 55 GLU CB C 13 30.284 0.016 . 1 . . . . . 467 GLU CB . 27321 1 364 . 1 1 55 55 GLU CG C 13 36.16 . . 1 . . . . . 467 GLU CG . 27321 1 365 . 1 1 55 55 GLU N N 15 122.586 0.022 . 1 . . . . . 467 GLU N . 27321 1 366 . 1 1 56 56 GLY H H 1 8.385 0.001 . 1 . . . . . 468 GLY H . 27321 1 367 . 1 1 56 56 GLY HA2 H 1 3.933 0.014 . 2 . . . . . 468 GLY HA2 . 27321 1 368 . 1 1 56 56 GLY C C 13 174.04 0.011 . 1 . . . . . 468 GLY C . 27321 1 369 . 1 1 56 56 GLY CA C 13 45.204 0.057 . 1 . . . . . 468 GLY CA . 27321 1 370 . 1 1 56 56 GLY N N 15 110.189 0.007 . 1 . . . . . 468 GLY N . 27321 1 371 . 1 1 57 57 SER H H 1 8.145 0.001 . 1 . . . . . 469 SER H . 27321 1 372 . 1 1 57 57 SER HA H 1 4.379 0.005 . 1 . . . . . 469 SER HA . 27321 1 373 . 1 1 57 57 SER HB2 H 1 3.777 0.008 . 2 . . . . . 469 SER HB2 . 27321 1 374 . 1 1 57 57 SER C C 13 174.587 0.012 . 1 . . . . . 469 SER C . 27321 1 375 . 1 1 57 57 SER CA C 13 58.311 0.043 . 1 . . . . . 469 SER CA . 27321 1 376 . 1 1 57 57 SER CB C 13 63.723 0.128 . 1 . . . . . 469 SER CB . 27321 1 377 . 1 1 57 57 SER N N 15 115.49 0.006 . 1 . . . . . 469 SER N . 27321 1 378 . 1 1 58 58 ARG H H 1 8.329 0.002 . 1 . . . . . 470 ARG H . 27321 1 379 . 1 1 58 58 ARG HA H 1 4.317 0.016 . 1 . . . . . 470 ARG HA . 27321 1 380 . 1 1 58 58 ARG HB2 H 1 1.73 0.015 . 2 . . . . . 470 ARG HB2 . 27321 1 381 . 1 1 58 58 ARG HB3 H 1 1.886 0.028 . 2 . . . . . 470 ARG HB3 . 27321 1 382 . 1 1 58 58 ARG HG2 H 1 1.6 0.004 . 2 . . . . . 470 ARG HG2 . 27321 1 383 . 1 1 58 58 ARG HD2 H 1 3.158 0.006 . 2 . . . . . 470 ARG HD2 . 27321 1 384 . 1 1 58 58 ARG C C 13 176.156 0.011 . 1 . . . . . 470 ARG C . 27321 1 385 . 1 1 58 58 ARG CA C 13 56.056 0.034 . 1 . . . . . 470 ARG CA . 27321 1 386 . 1 1 58 58 ARG CB C 13 30.789 0.039 . 1 . . . . . 470 ARG CB . 27321 1 387 . 1 1 58 58 ARG CG C 13 27.084 0.072 . 1 . . . . . 470 ARG CG . 27321 1 388 . 1 1 58 58 ARG CD C 13 43.218 0.045 . 1 . . . . . 470 ARG CD . 27321 1 389 . 1 1 58 58 ARG N N 15 122.794 0.011 . 1 . . . . . 470 ARG N . 27321 1 390 . 1 1 59 59 ALA H H 1 8.286 0.002 . 1 . . . . . 471 ALA H . 27321 1 391 . 1 1 59 59 ALA HA H 1 4.235 0.016 . 1 . . . . . 471 ALA HA . 27321 1 392 . 1 1 59 59 ALA C C 13 177.297 0.011 . 1 . . . . . 471 ALA C . 27321 1 393 . 1 1 59 59 ALA CA C 13 52.815 0.041 . 1 . . . . . 471 ALA CA . 27321 1 394 . 1 1 59 59 ALA CB C 13 19.213 0.044 . 1 . . . . . 471 ALA CB . 27321 1 395 . 1 1 59 59 ALA N N 15 124.735 0.011 . 1 . . . . . 471 ALA N . 27321 1 396 . 1 1 60 60 ASP H H 1 8.21 0.002 . 1 . . . . . 472 ASP H . 27321 1 397 . 1 1 60 60 ASP HA H 1 4.51 0.01 . 1 . . . . . 472 ASP HA . 27321 1 398 . 1 1 60 60 ASP HB2 H 1 2.605 0.015 . 2 . . . . . 472 ASP HB2 . 27321 1 399 . 1 1 60 60 ASP HB3 H 1 2.645 0.008 . 2 . . . . . 472 ASP HB3 . 27321 1 400 . 1 1 60 60 ASP C C 13 175.869 0.011 . 1 . . . . . 472 ASP C . 27321 1 401 . 1 1 60 60 ASP CA C 13 54.332 0.14 . 1 . . . . . 472 ASP CA . 27321 1 402 . 1 1 60 60 ASP CB C 13 40.769 0.044 . 1 . . . . . 472 ASP CB . 27321 1 403 . 1 1 60 60 ASP N N 15 117.911 0.004 . 1 . . . . . 472 ASP N . 27321 1 404 . 1 1 61 61 LEU H H 1 7.809 0.001 . 1 . . . . . 473 LEU H . 27321 1 405 . 1 1 61 61 LEU HA H 1 4.316 0.031 . 1 . . . . . 473 LEU HA . 27321 1 406 . 1 1 61 61 LEU HB2 H 1 1.627 0.039 . 2 . . . . . 473 LEU HB2 . 27321 1 407 . 1 1 61 61 LEU C C 13 177.064 0.015 . 1 . . . . . 473 LEU C . 27321 1 408 . 1 1 61 61 LEU CA C 13 55.084 0.069 . 1 . . . . . 473 LEU CA . 27321 1 409 . 1 1 61 61 LEU CB C 13 42.233 0.119 . 1 . . . . . 473 LEU CB . 27321 1 410 . 1 1 61 61 LEU CG C 13 26.849 . . 1 . . . . . 473 LEU CG . 27321 1 411 . 1 1 61 61 LEU CD1 C 13 25.049 . . 2 . . . . . 473 LEU CD1 . 27321 1 412 . 1 1 61 61 LEU CD2 C 13 23.509 . . 2 . . . . . 473 LEU CD2 . 27321 1 413 . 1 1 61 61 LEU N N 15 121.244 0.004 . 1 . . . . . 473 LEU N . 27321 1 414 . 1 1 62 62 VAL H H 1 7.953 0.002 . 1 . . . . . 474 VAL H . 27321 1 415 . 1 1 62 62 VAL HA H 1 4.052 0.017 . 1 . . . . . 474 VAL HA . 27321 1 416 . 1 1 62 62 VAL HB H 1 2.037 0.023 . 1 . . . . . 474 VAL HB . 27321 1 417 . 1 1 62 62 VAL C C 13 175.715 0.011 . 1 . . . . . 474 VAL C . 27321 1 418 . 1 1 62 62 VAL CA C 13 62.171 0.035 . 1 . . . . . 474 VAL CA . 27321 1 419 . 1 1 62 62 VAL CB C 13 32.68 0.049 . 1 . . . . . 474 VAL CB . 27321 1 420 . 1 1 62 62 VAL CG1 C 13 20.722 0.066 . 2 . . . . . 474 VAL CG1 . 27321 1 421 . 1 1 62 62 VAL CG2 C 13 21.047 0.061 . 2 . . . . . 474 VAL CG2 . 27321 1 422 . 1 1 62 62 VAL N N 15 120.773 0.007 . 1 . . . . . 474 VAL N . 27321 1 423 . 1 1 63 63 ALA H H 1 8.213 0.002 . 1 . . . . . 475 ALA H . 27321 1 424 . 1 1 63 63 ALA HA H 1 4.27 0.016 . 1 . . . . . 475 ALA HA . 27321 1 425 . 1 1 63 63 ALA C C 13 177.431 0.011 . 1 . . . . . 475 ALA C . 27321 1 426 . 1 1 63 63 ALA CA C 13 52.439 0.029 . 1 . . . . . 475 ALA CA . 27321 1 427 . 1 1 63 63 ALA CB C 13 19.299 0.044 . 1 . . . . . 475 ALA CB . 27321 1 428 . 1 1 63 63 ALA N N 15 127.473 0.009 . 1 . . . . . 475 ALA N . 27321 1 429 . 1 1 64 64 GLU H H 1 8.237 0.002 . 1 . . . . . 476 GLU H . 27321 1 430 . 1 1 64 64 GLU HA H 1 4.214 0.022 . 1 . . . . . 476 GLU HA . 27321 1 431 . 1 1 64 64 GLU HB2 H 1 1.897 0.006 . 2 . . . . . 476 GLU HB2 . 27321 1 432 . 1 1 64 64 GLU C C 13 176.253 0.013 . 1 . . . . . 476 GLU C . 27321 1 433 . 1 1 64 64 GLU CA C 13 56.561 0.02 . 1 . . . . . 476 GLU CA . 27321 1 434 . 1 1 64 64 GLU CB C 13 30.415 0.05 . 1 . . . . . 476 GLU CB . 27321 1 435 . 1 1 64 64 GLU CG C 13 36.343 . . 1 . . . . . 476 GLU CG . 27321 1 436 . 1 1 64 64 GLU N N 15 119.866 0.007 . 1 . . . . . 476 GLU N . 27321 1 437 . 1 1 65 65 GLU H H 1 8.276 0.002 . 1 . . . . . 477 GLU H . 27321 1 438 . 1 1 65 65 GLU HA H 1 4.231 0.004 . 1 . . . . . 477 GLU HA . 27321 1 439 . 1 1 65 65 GLU HB2 H 1 1.901 . . 2 . . . . . 477 GLU HB2 . 27321 1 440 . 1 1 65 65 GLU C C 13 175.985 0.009 . 1 . . . . . 477 GLU C . 27321 1 441 . 1 1 65 65 GLU CA C 13 56.258 0.082 . 1 . . . . . 477 GLU CA . 27321 1 442 . 1 1 65 65 GLU CB C 13 30.555 0.018 . 1 . . . . . 477 GLU CB . 27321 1 443 . 1 1 65 65 GLU CG C 13 36.294 . . 1 . . . . . 477 GLU CG . 27321 1 444 . 1 1 65 65 GLU N N 15 121.445 0.013 . 1 . . . . . 477 GLU N . 27321 1 445 . 1 1 66 66 SER H H 1 8.266 0.002 . 1 . . . . . 478 SER H . 27321 1 446 . 1 1 66 66 SER C C 13 173.194 . . 1 . . . . . 478 SER C . 27321 1 447 . 1 1 66 66 SER CB C 13 63.54 . . 1 . . . . . 478 SER CB . 27321 1 448 . 1 1 66 66 SER N N 15 117.574 0.011 . 1 . . . . . 478 SER N . 27321 1 449 . 1 1 67 67 PRO HA H 1 4.388 0.025 . 1 . . . . . 479 PRO HA . 27321 1 450 . 1 1 67 67 PRO HB2 H 1 1.91 0.028 . 2 . . . . . 479 PRO HB2 . 27321 1 451 . 1 1 67 67 PRO HB3 H 1 2.232 0.008 . 2 . . . . . 479 PRO HB3 . 27321 1 452 . 1 1 67 67 PRO HG2 H 1 1.978 . . 2 . . . . . 479 PRO HG2 . 27321 1 453 . 1 1 67 67 PRO HD2 H 1 3.769 0.005 . 2 . . . . . 479 PRO HD2 . 27321 1 454 . 1 1 67 67 PRO C C 13 177.179 0.009 . 1 . . . . . 479 PRO C . 27321 1 455 . 1 1 67 67 PRO CA C 13 63.732 0.045 . 1 . . . . . 479 PRO CA . 27321 1 456 . 1 1 67 67 PRO CB C 13 32 0.031 . 1 . . . . . 479 PRO CB . 27321 1 457 . 1 1 67 67 PRO CG C 13 27.279 0.006 . 1 . . . . . 479 PRO CG . 27321 1 458 . 1 1 67 67 PRO CD C 13 50.735 0.046 . 1 . . . . . 479 PRO CD . 27321 1 459 . 1 1 68 68 GLU H H 1 8.478 0.005 . 1 . . . . . 480 GLU H . 27321 1 460 . 1 1 68 68 GLU HA H 1 4.173 0.015 . 1 . . . . . 480 GLU HA . 27321 1 461 . 1 1 68 68 GLU HB2 H 1 1.904 0.007 . 2 . . . . . 480 GLU HB2 . 27321 1 462 . 1 1 68 68 GLU HB3 H 1 1.998 0.007 . 2 . . . . . 480 GLU HB3 . 27321 1 463 . 1 1 68 68 GLU HG2 H 1 2.241 0.011 . 2 . . . . . 480 GLU HG2 . 27321 1 464 . 1 1 68 68 GLU C C 13 176.528 0.01 . 1 . . . . . 480 GLU C . 27321 1 465 . 1 1 68 68 GLU CA C 13 57.084 0.04 . 1 . . . . . 480 GLU CA . 27321 1 466 . 1 1 68 68 GLU CB C 13 29.729 0.089 . 1 . . . . . 480 GLU CB . 27321 1 467 . 1 1 68 68 GLU CG C 13 36.328 0.066 . 1 . . . . . 480 GLU CG . 27321 1 468 . 1 1 68 68 GLU N N 15 119.63 0.011 . 1 . . . . . 480 GLU N . 27321 1 469 . 1 1 69 69 LEU H H 1 7.898 0.001 . 1 . . . . . 481 LEU H . 27321 1 470 . 1 1 69 69 LEU HA H 1 4.235 0.004 . 1 . . . . . 481 LEU HA . 27321 1 471 . 1 1 69 69 LEU HB2 H 1 1.536 . . 2 . . . . . 481 LEU HB2 . 27321 1 472 . 1 1 69 69 LEU C C 13 176.987 0.012 . 1 . . . . . 481 LEU C . 27321 1 473 . 1 1 69 69 LEU CA C 13 55.09 0.017 . 1 . . . . . 481 LEU CA . 27321 1 474 . 1 1 69 69 LEU CB C 13 42.171 0.073 . 1 . . . . . 481 LEU CB . 27321 1 475 . 1 1 69 69 LEU CG C 13 26 . . 1 . . . . . 481 LEU CG . 27321 1 476 . 1 1 69 69 LEU CD1 C 13 25.029 . . 2 . . . . . 481 LEU CD1 . 27321 1 477 . 1 1 69 69 LEU CD2 C 13 23.425 . . 2 . . . . . 481 LEU CD2 . 27321 1 478 . 1 1 69 69 LEU N N 15 121.762 0.015 . 1 . . . . . 481 LEU N . 27321 1 479 . 1 1 70 70 LEU H H 1 7.871 0.003 . 1 . . . . . 482 LEU H . 27321 1 480 . 1 1 70 70 LEU HA H 1 4.264 0.028 . 1 . . . . . 482 LEU HA . 27321 1 481 . 1 1 70 70 LEU HB2 H 1 1.603 0.039 . 2 . . . . . 482 LEU HB2 . 27321 1 482 . 1 1 70 70 LEU C C 13 176.584 0.013 . 1 . . . . . 482 LEU C . 27321 1 483 . 1 1 70 70 LEU CA C 13 55.037 0.006 . 1 . . . . . 482 LEU CA . 27321 1 484 . 1 1 70 70 LEU CB C 13 42.358 0.017 . 1 . . . . . 482 LEU CB . 27321 1 485 . 1 1 70 70 LEU CG C 13 26.923 . . 1 . . . . . 482 LEU CG . 27321 1 486 . 1 1 70 70 LEU CD1 C 13 24.918 . . 2 . . . . . 482 LEU CD1 . 27321 1 487 . 1 1 70 70 LEU CD2 C 13 23.41 . . 2 . . . . . 482 LEU CD2 . 27321 1 488 . 1 1 70 70 LEU N N 15 121.411 0.014 . 1 . . . . . 482 LEU N . 27321 1 489 . 1 1 71 71 ASN H H 1 8.142 0.002 . 1 . . . . . 483 ASN H . 27321 1 490 . 1 1 71 71 ASN HA H 1 4.918 0.003 . 1 . . . . . 483 ASN HA . 27321 1 491 . 1 1 71 71 ASN HB2 H 1 2.774 0.004 . 2 . . . . . 483 ASN HB2 . 27321 1 492 . 1 1 71 71 ASN HB3 H 1 2.635 0.003 . 2 . . . . . 483 ASN HB3 . 27321 1 493 . 1 1 71 71 ASN C C 13 172.88 . . 1 . . . . . 483 ASN C . 27321 1 494 . 1 1 71 71 ASN CA C 13 51.175 0.013 . 1 . . . . . 483 ASN CA . 27321 1 495 . 1 1 71 71 ASN CB C 13 39.027 0.028 . 1 . . . . . 483 ASN CB . 27321 1 496 . 1 1 71 71 ASN N N 15 119.415 0.015 . 1 . . . . . 483 ASN N . 27321 1 497 . 1 1 72 72 PRO HA H 1 4.343 0.006 . 1 . . . . . 484 PRO HA . 27321 1 498 . 1 1 72 72 PRO HB2 H 1 2.144 . . 2 . . . . . 484 PRO HB2 . 27321 1 499 . 1 1 72 72 PRO HB3 H 1 1.857 . . 2 . . . . . 484 PRO HB3 . 27321 1 500 . 1 1 72 72 PRO C C 13 176.582 0.012 . 1 . . . . . 484 PRO C . 27321 1 501 . 1 1 72 72 PRO CA C 13 63.204 0.033 . 1 . . . . . 484 PRO CA . 27321 1 502 . 1 1 72 72 PRO CB C 13 32.098 0.027 . 1 . . . . . 484 PRO CB . 27321 1 503 . 1 1 72 72 PRO CG C 13 27.069 . . 1 . . . . . 484 PRO CG . 27321 1 504 . 1 1 72 72 PRO CD C 13 50.509 . . 1 . . . . . 484 PRO CD . 27321 1 505 . 1 1 73 73 GLU H H 1 8.226 0.002 . 1 . . . . . 485 GLU H . 27321 1 506 . 1 1 73 73 GLU HB2 H 1 2.186 . . 2 . . . . . 485 GLU HB2 . 27321 1 507 . 1 1 73 73 GLU C C 13 174.433 . . 1 . . . . . 485 GLU C . 27321 1 508 . 1 1 73 73 GLU CA C 13 54.57 . . 1 . . . . . 485 GLU CA . 27321 1 509 . 1 1 73 73 GLU CB C 13 29.822 . . 1 . . . . . 485 GLU CB . 27321 1 510 . 1 1 73 73 GLU N N 15 121.774 0.006 . 1 . . . . . 485 GLU N . 27321 1 511 . 1 1 74 74 PRO HA H 1 4.295 0.009 . 1 . . . . . 486 PRO HA . 27321 1 512 . 1 1 74 74 PRO HB2 H 1 1.782 . . 2 . . . . . 486 PRO HB2 . 27321 1 513 . 1 1 74 74 PRO C C 13 176.93 0.011 . 1 . . . . . 486 PRO C . 27321 1 514 . 1 1 74 74 PRO CA C 13 63.419 0.024 . 1 . . . . . 486 PRO CA . 27321 1 515 . 1 1 74 74 PRO CB C 13 31.96 0.008 . 1 . . . . . 486 PRO CB . 27321 1 516 . 1 1 74 74 PRO CG C 13 27.402 . . 1 . . . . . 486 PRO CG . 27321 1 517 . 1 1 74 74 PRO CD C 13 50.55 . . 1 . . . . . 486 PRO CD . 27321 1 518 . 1 1 75 75 ARG H H 1 8.286 0.002 . 1 . . . . . 487 ARG H . 27321 1 519 . 1 1 75 75 ARG C C 13 176.164 0.012 . 1 . . . . . 487 ARG C . 27321 1 520 . 1 1 75 75 ARG CA C 13 56.127 . . 1 . . . . . 487 ARG CA . 27321 1 521 . 1 1 75 75 ARG CB C 13 30.614 . . 1 . . . . . 487 ARG CB . 27321 1 522 . 1 1 75 75 ARG N N 15 120.261 0.014 . 1 . . . . . 487 ARG N . 27321 1 523 . 1 1 76 76 ARG H H 1 8.204 0.001 . 1 . . . . . 488 ARG H . 27321 1 524 . 1 1 76 76 ARG HA H 1 4.288 0.034 . 1 . . . . . 488 ARG HA . 27321 1 525 . 1 1 76 76 ARG HB2 H 1 1.705 . . 2 . . . . . 488 ARG HB2 . 27321 1 526 . 1 1 76 76 ARG C C 13 175.897 0.014 . 1 . . . . . 488 ARG C . 27321 1 527 . 1 1 76 76 ARG CA C 13 55.828 0.116 . 1 . . . . . 488 ARG CA . 27321 1 528 . 1 1 76 76 ARG CB C 13 30.798 0.019 . 1 . . . . . 488 ARG CB . 27321 1 529 . 1 1 76 76 ARG CG C 13 27.267 . . 1 . . . . . 488 ARG CG . 27321 1 530 . 1 1 76 76 ARG CD C 13 43.353 . . 1 . . . . . 488 ARG CD . 27321 1 531 . 1 1 76 76 ARG N N 15 122.028 0.006 . 1 . . . . . 488 ARG N . 27321 1 532 . 1 1 77 77 LEU H H 1 8.175 0.002 . 1 . . . . . 489 LEU H . 27321 1 533 . 1 1 77 77 LEU HA H 1 4.362 0.02 . 1 . . . . . 489 LEU HA . 27321 1 534 . 1 1 77 77 LEU HB2 H 1 1.543 0.011 . 2 . . . . . 489 LEU HB2 . 27321 1 535 . 1 1 77 77 LEU C C 13 176.794 0.011 . 1 . . . . . 489 LEU C . 27321 1 536 . 1 1 77 77 LEU CA C 13 54.683 0.056 . 1 . . . . . 489 LEU CA . 27321 1 537 . 1 1 77 77 LEU CB C 13 42.085 0.336 . 1 . . . . . 489 LEU CB . 27321 1 538 . 1 1 77 77 LEU CG C 13 26.921 . . 1 . . . . . 489 LEU CG . 27321 1 539 . 1 1 77 77 LEU CD1 C 13 25.057 . . 2 . . . . . 489 LEU CD1 . 27321 1 540 . 1 1 77 77 LEU CD2 C 13 23.41 . . 2 . . . . . 489 LEU CD2 . 27321 1 541 . 1 1 77 77 LEU N N 15 123.121 0.012 . 1 . . . . . 489 LEU N . 27321 1 542 . 1 1 78 78 SER H H 1 8.115 0.002 . 1 . . . . . 490 SER H . 27321 1 543 . 1 1 78 78 SER C C 13 173.17 . . 1 . . . . . 490 SER C . 27321 1 544 . 1 1 78 78 SER CA C 13 56.334 . . 1 . . . . . 490 SER CA . 27321 1 545 . 1 1 78 78 SER CB C 13 63.346 . . 1 . . . . . 490 SER CB . 27321 1 546 . 1 1 78 78 SER N N 15 117.605 0.008 . 1 . . . . . 490 SER N . 27321 1 547 . 1 1 79 79 PRO HA H 1 4.31 0.018 . 1 . . . . . 491 PRO HA . 27321 1 548 . 1 1 79 79 PRO HB2 H 1 2.232 0.014 . 2 . . . . . 491 PRO HB2 . 27321 1 549 . 1 1 79 79 PRO HB3 H 1 1.852 . . 2 . . . . . 491 PRO HB3 . 27321 1 550 . 1 1 79 79 PRO C C 13 177.135 . . 1 . . . . . 491 PRO C . 27321 1 551 . 1 1 79 79 PRO CA C 13 63.931 0.057 . 1 . . . . . 491 PRO CA . 27321 1 552 . 1 1 79 79 PRO CB C 13 32.032 0.026 . 1 . . . . . 491 PRO CB . 27321 1 553 . 1 1 79 79 PRO CG C 13 27.398 . . 1 . . . . . 491 PRO CG . 27321 1 554 . 1 1 79 79 PRO CD C 13 50.664 . . 1 . . . . . 491 PRO CD . 27321 1 555 . 1 1 80 80 GLU H H 1 8.528 0.003 . 1 . . . . . 492 GLU H . 27321 1 556 . 1 1 80 80 GLU HA H 1 4.199 0.027 . 1 . . . . . 492 GLU HA . 27321 1 557 . 1 1 80 80 GLU HB2 H 1 1.897 0.01 . 2 . . . . . 492 GLU HB2 . 27321 1 558 . 1 1 80 80 GLU HB3 H 1 2.023 . . 2 . . . . . 492 GLU HB3 . 27321 1 559 . 1 1 80 80 GLU HG2 H 1 2.227 . . 2 . . . . . 492 GLU HG2 . 27321 1 560 . 1 1 80 80 GLU C C 13 176.553 0.011 . 1 . . . . . 492 GLU C . 27321 1 561 . 1 1 80 80 GLU CA C 13 56.784 0.17 . 1 . . . . . 492 GLU CA . 27321 1 562 . 1 1 80 80 GLU CB C 13 29.733 0.067 . 1 . . . . . 492 GLU CB . 27321 1 563 . 1 1 80 80 GLU CG C 13 36.257 0.008 . 1 . . . . . 492 GLU CG . 27321 1 564 . 1 1 80 80 GLU N N 15 119.161 0.031 . 1 . . . . . 492 GLU N . 27321 1 565 . 1 1 81 81 LEU H H 1 7.914 0.003 . 1 . . . . . 493 LEU H . 27321 1 566 . 1 1 81 81 LEU HA H 1 4.249 0.033 . 1 . . . . . 493 LEU HA . 27321 1 567 . 1 1 81 81 LEU HB2 H 1 1.538 . . 2 . . . . . 493 LEU HB2 . 27321 1 568 . 1 1 81 81 LEU C C 13 177.118 0.016 . 1 . . . . . 493 LEU C . 27321 1 569 . 1 1 81 81 LEU CA C 13 55.302 0.061 . 1 . . . . . 493 LEU CA . 27321 1 570 . 1 1 81 81 LEU CB C 13 42.114 0.022 . 1 . . . . . 493 LEU CB . 27321 1 571 . 1 1 81 81 LEU CG C 13 27.02 . . 1 . . . . . 493 LEU CG . 27321 1 572 . 1 1 81 81 LEU CD1 C 13 25.09 . . 2 . . . . . 493 LEU CD1 . 27321 1 573 . 1 1 81 81 LEU CD2 C 13 23.423 . . 2 . . . . . 493 LEU CD2 . 27321 1 574 . 1 1 81 81 LEU N N 15 122.123 0.023 . 1 . . . . . 493 LEU N . 27321 1 575 . 1 1 82 82 ARG H H 1 8.021 0.002 . 1 . . . . . 494 ARG H . 27321 1 576 . 1 1 82 82 ARG HA H 1 4.217 0.005 . 1 . . . . . 494 ARG HA . 27321 1 577 . 1 1 82 82 ARG HB2 H 1 1.691 . . 2 . . . . . 494 ARG HB2 . 27321 1 578 . 1 1 82 82 ARG C C 13 175.649 0.01 . 1 . . . . . 494 ARG C . 27321 1 579 . 1 1 82 82 ARG CA C 13 56.129 0.012 . 1 . . . . . 494 ARG CA . 27321 1 580 . 1 1 82 82 ARG CB C 13 30.712 0.008 . 1 . . . . . 494 ARG CB . 27321 1 581 . 1 1 82 82 ARG CG C 13 27.202 . . 1 . . . . . 494 ARG CG . 27321 1 582 . 1 1 82 82 ARG CD C 13 43.393 . . 1 . . . . . 494 ARG CD . 27321 1 583 . 1 1 82 82 ARG N N 15 120.586 0.016 . 1 . . . . . 494 ARG N . 27321 1 584 . 1 1 83 83 LEU H H 1 7.97 0.002 . 1 . . . . . 495 LEU H . 27321 1 585 . 1 1 83 83 LEU HA H 1 4.278 . . 1 . . . . . 495 LEU HA . 27321 1 586 . 1 1 83 83 LEU HB2 H 1 1.342 0.035 . 2 . . . . . 495 LEU HB2 . 27321 1 587 . 1 1 83 83 LEU C C 13 176.718 0.008 . 1 . . . . . 495 LEU C . 27321 1 588 . 1 1 83 83 LEU CA C 13 54.762 0.042 . 1 . . . . . 495 LEU CA . 27321 1 589 . 1 1 83 83 LEU CB C 13 41.93 0.143 . 1 . . . . . 495 LEU CB . 27321 1 590 . 1 1 83 83 LEU CG C 13 26.937 . . 1 . . . . . 495 LEU CG . 27321 1 591 . 1 1 83 83 LEU CD1 C 13 25.023 . . 2 . . . . . 495 LEU CD1 . 27321 1 592 . 1 1 83 83 LEU CD2 C 13 23.394 . . 2 . . . . . 495 LEU CD2 . 27321 1 593 . 1 1 83 83 LEU N N 15 121.688 0.025 . 1 . . . . . 495 LEU N . 27321 1 594 . 1 1 84 84 LEU H H 1 7.957 0.003 . 1 . . . . . 496 LEU H . 27321 1 595 . 1 1 84 84 LEU HA H 1 4.541 0.006 . 1 . . . . . 496 LEU HA . 27321 1 596 . 1 1 84 84 LEU HB2 H 1 1.545 . . 2 . . . . . 496 LEU HB2 . 27321 1 597 . 1 1 84 84 LEU HG H 1 1.33 . . 1 . . . . . 496 LEU HG . 27321 1 598 . 1 1 84 84 LEU C C 13 175.139 . . 1 . . . . . 496 LEU C . 27321 1 599 . 1 1 84 84 LEU CA C 13 52.796 0.01 . 1 . . . . . 496 LEU CA . 27321 1 600 . 1 1 84 84 LEU N N 15 123.554 0.011 . 1 . . . . . 496 LEU N . 27321 1 601 . 1 1 85 85 PRO HA H 1 4.373 0.035 . 1 . . . . . 497 PRO HA . 27321 1 602 . 1 1 85 85 PRO HB2 H 1 2.067 0.001 . 2 . . . . . 497 PRO HB2 . 27321 1 603 . 1 1 85 85 PRO HB3 H 1 1.655 0.002 . 2 . . . . . 497 PRO HB3 . 27321 1 604 . 1 1 85 85 PRO C C 13 176.288 . . 1 . . . . . 497 PRO C . 27321 1 605 . 1 1 85 85 PRO CA C 13 63.026 0.048 . 1 . . . . . 497 PRO CA . 27321 1 606 . 1 1 85 85 PRO CB C 13 31.649 0.031 . 1 . . . . . 497 PRO CB . 27321 1 607 . 1 1 85 85 PRO CG C 13 27.296 . . 1 . . . . . 497 PRO CG . 27321 1 608 . 1 1 85 85 PRO CD C 13 50.35 . . 1 . . . . . 497 PRO CD . 27321 1 609 . 1 1 86 86 TYR H H 1 7.968 0.002 . 1 . . . . . 498 TYR H . 27321 1 610 . 1 1 86 86 TYR HA H 1 4.429 0.015 . 1 . . . . . 498 TYR HA . 27321 1 611 . 1 1 86 86 TYR HB2 H 1 2.927 0.02 . 2 . . . . . 498 TYR HB2 . 27321 1 612 . 1 1 86 86 TYR C C 13 176.309 0.018 . 1 . . . . . 498 TYR C . 27321 1 613 . 1 1 86 86 TYR CA C 13 58.16 0.086 . 1 . . . . . 498 TYR CA . 27321 1 614 . 1 1 86 86 TYR CB C 13 38.594 0.014 . 1 . . . . . 498 TYR CB . 27321 1 615 . 1 1 86 86 TYR N N 15 119.393 0.009 . 1 . . . . . 498 TYR N . 27321 1 616 . 1 1 87 87 GLY H H 1 8.129 0.002 . 1 . . . . . 499 GLY H . 27321 1 617 . 1 1 87 87 GLY HA2 H 1 3.834 0.009 . 2 . . . . . 499 GLY HA2 . 27321 1 618 . 1 1 87 87 GLY C C 13 173.879 0.014 . 1 . . . . . 499 GLY C . 27321 1 619 . 1 1 87 87 GLY CA C 13 45.274 0.029 . 1 . . . . . 499 GLY CA . 27321 1 620 . 1 1 87 87 GLY N N 15 110.439 0.02 . 1 . . . . . 499 GLY N . 27321 1 621 . 1 1 88 88 HIS H H 1 7.973 0.001 . 1 . . . . . 500 HIS H . 27321 1 622 . 1 1 88 88 HIS C C 13 175.762 0.009 . 1 . . . . . 500 HIS C . 27321 1 623 . 1 1 88 88 HIS CA C 13 56.568 . . 1 . . . . . 500 HIS CA . 27321 1 624 . 1 1 88 88 HIS CB C 13 38.625 . . 1 . . . . . 500 HIS CB . 27321 1 625 . 1 1 88 88 HIS N N 15 119.053 0.013 . 1 . . . . . 500 HIS N . 27321 1 626 . 1 1 89 89 GLY H H 1 8.32 0.002 . 1 . . . . . 501 GLY H . 27321 1 627 . 1 1 89 89 GLY HA2 H 1 3.821 . . 2 . . . . . 501 GLY HA2 . 27321 1 628 . 1 1 89 89 GLY C C 13 174.065 0.013 . 1 . . . . . 501 GLY C . 27321 1 629 . 1 1 89 89 GLY CA C 13 45.413 0.013 . 1 . . . . . 501 GLY CA . 27321 1 630 . 1 1 89 89 GLY N N 15 109.862 0.036 . 1 . . . . . 501 GLY N . 27321 1 631 . 1 1 90 90 LEU H H 1 8.077 0.001 . 1 . . . . . 502 LEU H . 27321 1 632 . 1 1 90 90 LEU HA H 1 4.337 0.023 . 1 . . . . . 502 LEU HA . 27321 1 633 . 1 1 90 90 LEU HB2 H 1 1.523 0.01 . 2 . . . . . 502 LEU HB2 . 27321 1 634 . 1 1 90 90 LEU C C 13 177.432 0.015 . 1 . . . . . 502 LEU C . 27321 1 635 . 1 1 90 90 LEU CA C 13 55.098 0.17 . 1 . . . . . 502 LEU CA . 27321 1 636 . 1 1 90 90 LEU CB C 13 42.002 0.235 . 1 . . . . . 502 LEU CB . 27321 1 637 . 1 1 90 90 LEU CG C 13 26.898 . . 1 . . . . . 502 LEU CG . 27321 1 638 . 1 1 90 90 LEU CD1 C 13 25.044 . . 2 . . . . . 502 LEU CD1 . 27321 1 639 . 1 1 90 90 LEU CD2 C 13 23.402 0.001 . 2 . . . . . 502 LEU CD2 . 27321 1 640 . 1 1 90 90 LEU N N 15 121.36 0.003 . 1 . . . . . 502 LEU N . 27321 1 641 . 1 1 91 91 SER H H 1 8.185 0.003 . 1 . . . . . 503 SER H . 27321 1 642 . 1 1 91 91 SER HA H 1 4.307 0.007 . 1 . . . . . 503 SER HA . 27321 1 643 . 1 1 91 91 SER HB2 H 1 3.671 0.002 . 2 . . . . . 503 SER HB2 . 27321 1 644 . 1 1 91 91 SER C C 13 174.292 0.01 . 1 . . . . . 503 SER C . 27321 1 645 . 1 1 91 91 SER CA C 13 58.307 0.032 . 1 . . . . . 503 SER CA . 27321 1 646 . 1 1 91 91 SER CB C 13 63.852 0.031 . 1 . . . . . 503 SER CB . 27321 1 647 . 1 1 91 91 SER N N 15 115.912 0.013 . 1 . . . . . 503 SER N . 27321 1 648 . 1 1 92 92 ALA H H 1 8.122 0.003 . 1 . . . . . 504 ALA H . 27321 1 649 . 1 1 92 92 ALA HA H 1 4.179 0.017 . 1 . . . . . 504 ALA HA . 27321 1 650 . 1 1 92 92 ALA C C 13 177.148 0.011 . 1 . . . . . 504 ALA C . 27321 1 651 . 1 1 92 92 ALA CA C 13 52.752 0.031 . 1 . . . . . 504 ALA CA . 27321 1 652 . 1 1 92 92 ALA CB C 13 19.068 0.029 . 1 . . . . . 504 ALA CB . 27321 1 653 . 1 1 92 92 ALA N N 15 124.971 0.01 . 1 . . . . . 504 ALA N . 27321 1 654 . 1 1 93 93 TRP H H 1 7.834 0.003 . 1 . . . . . 505 TRP H . 27321 1 655 . 1 1 93 93 TRP HA H 1 4.595 0.014 . 1 . . . . . 505 TRP HA . 27321 1 656 . 1 1 93 93 TRP HB2 H 1 3.147 0.03 . 2 . . . . . 505 TRP HB2 . 27321 1 657 . 1 1 93 93 TRP HB3 H 1 3.248 0.002 . 2 . . . . . 505 TRP HB3 . 27321 1 658 . 1 1 93 93 TRP C C 13 175.927 0.007 . 1 . . . . . 505 TRP C . 27321 1 659 . 1 1 93 93 TRP CA C 13 57.129 0.058 . 1 . . . . . 505 TRP CA . 27321 1 660 . 1 1 93 93 TRP CB C 13 29.648 0.128 . 1 . . . . . 505 TRP CB . 27321 1 661 . 1 1 93 93 TRP N N 15 118.663 0.017 . 1 . . . . . 505 TRP N . 27321 1 662 . 1 1 94 94 SER H H 1 7.795 0.003 . 1 . . . . . 506 SER H . 27321 1 663 . 1 1 94 94 SER HA H 1 4.304 0.024 . 1 . . . . . 506 SER HA . 27321 1 664 . 1 1 94 94 SER HB2 H 1 3.647 0.027 . 2 . . . . . 506 SER HB2 . 27321 1 665 . 1 1 94 94 SER HB3 H 1 3.626 0.008 . 2 . . . . . 506 SER HB3 . 27321 1 666 . 1 1 94 94 SER C C 13 173.28 0.012 . 1 . . . . . 506 SER C . 27321 1 667 . 1 1 94 94 SER CA C 13 58.012 0.038 . 1 . . . . . 506 SER CA . 27321 1 668 . 1 1 94 94 SER CB C 13 63.865 0.038 . 1 . . . . . 506 SER CB . 27321 1 669 . 1 1 94 94 SER N N 15 116.526 0.011 . 1 . . . . . 506 SER N . 27321 1 670 . 1 1 95 95 HIS H H 1 7.993 0.003 . 1 . . . . . 507 HIS H . 27321 1 671 . 1 1 95 95 HIS C C 13 173.192 . . 1 . . . . . 507 HIS C . 27321 1 672 . 1 1 95 95 HIS CA C 13 54.313 . . 1 . . . . . 507 HIS CA . 27321 1 673 . 1 1 95 95 HIS CB C 13 30.188 . . 1 . . . . . 507 HIS CB . 27321 1 674 . 1 1 95 95 HIS N N 15 121.789 0.013 . 1 . . . . . 507 HIS N . 27321 1 675 . 1 1 96 96 PRO HA H 1 4.311 0.018 . 1 . . . . . 508 PRO HA . 27321 1 676 . 1 1 96 96 PRO HB2 H 1 2.172 0.013 . 2 . . . . . 508 PRO HB2 . 27321 1 677 . 1 1 96 96 PRO HB3 H 1 1.727 0.013 . 2 . . . . . 508 PRO HB3 . 27321 1 678 . 1 1 96 96 PRO HG2 H 1 1.916 0.005 . 2 . . . . . 508 PRO HG2 . 27321 1 679 . 1 1 96 96 PRO HG3 H 1 1.994 0.014 . 2 . . . . . 508 PRO HG3 . 27321 1 680 . 1 1 96 96 PRO HD2 H 1 3.385 0.005 . 2 . . . . . 508 PRO HD2 . 27321 1 681 . 1 1 96 96 PRO HD3 H 1 3.645 0.009 . 2 . . . . . 508 PRO HD3 . 27321 1 682 . 1 1 96 96 PRO C C 13 176.674 0.01 . 1 . . . . . 508 PRO C . 27321 1 683 . 1 1 96 96 PRO CA C 13 63.389 0.104 . 1 . . . . . 508 PRO CA . 27321 1 684 . 1 1 96 96 PRO CB C 13 32.051 0.029 . 1 . . . . . 508 PRO CB . 27321 1 685 . 1 1 96 96 PRO CG C 13 27.393 0.045 . 1 . . . . . 508 PRO CG . 27321 1 686 . 1 1 96 96 PRO CD C 13 50.576 0.063 . 1 . . . . . 508 PRO CD . 27321 1 687 . 1 1 97 97 GLN H H 1 8.571 0.003 . 1 . . . . . 509 GLN H . 27321 1 688 . 1 1 97 97 GLN HA H 1 4.218 0.021 . 1 . . . . . 509 GLN HA . 27321 1 689 . 1 1 97 97 GLN HB2 H 1 1.851 0.013 . 2 . . . . . 509 GLN HB2 . 27321 1 690 . 1 1 97 97 GLN HB3 H 1 1.914 0.01 . 2 . . . . . 509 GLN HB3 . 27321 1 691 . 1 1 97 97 GLN HG2 H 1 2.157 0.039 . 2 . . . . . 509 GLN HG2 . 27321 1 692 . 1 1 97 97 GLN HG3 H 1 2.169 0.008 . 2 . . . . . 509 GLN HG3 . 27321 1 693 . 1 1 97 97 GLN C C 13 175.468 0.01 . 1 . . . . . 509 GLN C . 27321 1 694 . 1 1 97 97 GLN CA C 13 55.846 0.044 . 1 . . . . . 509 GLN CA . 27321 1 695 . 1 1 97 97 GLN CB C 13 29.403 0.09 . 1 . . . . . 509 GLN CB . 27321 1 696 . 1 1 97 97 GLN CG C 13 33.693 0.03 . 1 . . . . . 509 GLN CG . 27321 1 697 . 1 1 97 97 GLN N N 15 120.248 0.01 . 1 . . . . . 509 GLN N . 27321 1 698 . 1 1 98 98 PHE H H 1 8.035 0.002 . 1 . . . . . 510 PHE H . 27321 1 699 . 1 1 98 98 PHE HA H 1 4.649 0.016 . 1 . . . . . 510 PHE HA . 27321 1 700 . 1 1 98 98 PHE HB2 H 1 3.175 0.019 . 2 . . . . . 510 PHE HB2 . 27321 1 701 . 1 1 98 98 PHE HB3 H 1 2.953 0.017 . 2 . . . . . 510 PHE HB3 . 27321 1 702 . 1 1 98 98 PHE C C 13 175.351 0.006 . 1 . . . . . 510 PHE C . 27321 1 703 . 1 1 98 98 PHE CA C 13 57.256 0.06 . 1 . . . . . 510 PHE CA . 27321 1 704 . 1 1 98 98 PHE CB C 13 39.733 0.027 . 1 . . . . . 510 PHE CB . 27321 1 705 . 1 1 98 98 PHE N N 15 120.094 0.007 . 1 . . . . . 510 PHE N . 27321 1 706 . 1 1 99 99 GLU H H 1 8.22 0.002 . 1 . . . . . 511 GLU H . 27321 1 707 . 1 1 99 99 GLU HA H 1 4.232 0.025 . 1 . . . . . 511 GLU HA . 27321 1 708 . 1 1 99 99 GLU HB2 H 1 1.886 . . 2 . . . . . 511 GLU HB2 . 27321 1 709 . 1 1 99 99 GLU C C 13 175.024 0.01 . 1 . . . . . 511 GLU C . 27321 1 710 . 1 1 99 99 GLU CA C 13 56.549 0.014 . 1 . . . . . 511 GLU CA . 27321 1 711 . 1 1 99 99 GLU CB C 13 30.551 0.02 . 1 . . . . . 511 GLU CB . 27321 1 712 . 1 1 99 99 GLU CG C 13 36.259 . . 1 . . . . . 511 GLU CG . 27321 1 713 . 1 1 99 99 GLU N N 15 122.346 0.02 . 1 . . . . . 511 GLU N . 27321 1 714 . 1 1 100 100 LYS H H 1 7.787 0.003 . 1 . . . . . 512 LYS H . 27321 1 715 . 1 1 100 100 LYS HA H 1 4.112 0.002 . 1 . . . . . 512 LYS HA . 27321 1 716 . 1 1 100 100 LYS HB2 H 1 1.799 0.008 . 2 . . . . . 512 LYS HB2 . 27321 1 717 . 1 1 100 100 LYS HB3 H 1 1.685 0.008 . 2 . . . . . 512 LYS HB3 . 27321 1 718 . 1 1 100 100 LYS HG2 H 1 1.362 0.002 . 2 . . . . . 512 LYS HG2 . 27321 1 719 . 1 1 100 100 LYS HD2 H 1 1.659 0.018 . 2 . . . . . 512 LYS HD2 . 27321 1 720 . 1 1 100 100 LYS HE2 H 1 2.952 0.003 . 2 . . . . . 512 LYS HE2 . 27321 1 721 . 1 1 100 100 LYS C C 13 180.954 . . 1 . . . . . 512 LYS C . 27321 1 722 . 1 1 100 100 LYS CA C 13 57.532 0.027 . 1 . . . . . 512 LYS CA . 27321 1 723 . 1 1 100 100 LYS CB C 13 33.789 0.05 . 1 . . . . . 512 LYS CB . 27321 1 724 . 1 1 100 100 LYS CG C 13 24.684 0.035 . 1 . . . . . 512 LYS CG . 27321 1 725 . 1 1 100 100 LYS CD C 13 29.113 . . 1 . . . . . 512 LYS CD . 27321 1 726 . 1 1 100 100 LYS CE C 13 41.974 0.008 . 1 . . . . . 512 LYS CE . 27321 1 727 . 1 1 100 100 LYS N N 15 126.719 0.006 . 1 . . . . . 512 LYS N . 27321 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27321 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 12 '2D 1H-15N HSQC' . . . 27321 2 13 '3D 1H-15N NOESY' . . . 27321 2 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 3 3 ARG H H 1 8.49 . . 1 . . . . . 415 ARG H . 27321 2 2 . 1 1 3 3 ARG N N 15 120.8 . . 1 . . . . . 415 ARG N . 27321 2 3 . 1 1 4 4 GLY H H 1 8.35 . . 1 . . . . . 416 GLY H . 27321 2 4 . 1 1 4 4 GLY N N 15 110.16 . . 1 . . . . . 416 GLY N . 27321 2 5 . 1 1 6 6 GLU H H 1 8.84 . . 1 . . . . . 418 GLU H . 27321 2 6 . 1 1 6 6 GLU N N 15 120.35 . . 1 . . . . . 418 GLU N . 27321 2 7 . 1 1 7 7 PHE H H 1 7.98 . . 1 . . . . . 419 PHE H . 27321 2 8 . 1 1 7 7 PHE N N 15 119.71 . . 1 . . . . . 419 PHE N . 27321 2 9 . 1 1 8 8 GLU H H 1 8.18 . . 1 . . . . . 420 GLU H . 27321 2 10 . 1 1 8 8 GLU N N 15 121.86 . . 1 . . . . . 420 GLU N . 27321 2 11 . 1 1 9 9 LEU H H 1 8.25 . . 1 . . . . . 421 LEU H . 27321 2 12 . 1 1 9 9 LEU N N 15 123.09 . . 1 . . . . . 421 LEU N . 27321 2 13 . 1 1 10 10 GLY H H 1 8.43 . . 1 . . . . . 422 GLY H . 27321 2 14 . 1 1 10 10 GLY N N 15 109.33 . . 1 . . . . . 422 GLY N . 27321 2 15 . 1 1 11 11 THR H H 1 7.94 . . 1 . . . . . 423 THR H . 27321 2 16 . 1 1 11 11 THR N N 15 113.37 . . 1 . . . . . 423 THR N . 27321 2 17 . 1 1 12 12 LEU H H 1 8.24 . . 1 . . . . . 424 LEU H . 27321 2 18 . 1 1 12 12 LEU N N 15 126.02 . . 1 . . . . . 424 LEU N . 27321 2 19 . 1 1 14 14 ARG H H 1 8.36 . . 1 . . . . . 426 ARG H . 27321 2 20 . 1 1 14 14 ARG N N 15 121.65 . . 1 . . . . . 426 ARG N . 27321 2 21 . 1 1 15 15 ASP H H 1 8.62 . . 1 . . . . . 427 ASP H . 27321 2 22 . 1 1 15 15 ASP N N 15 124.27 . . 1 . . . . . 427 ASP N . 27321 2 23 . 1 1 17 17 GLU H H 1 8.6 . . 1 . . . . . 429 GLU H . 27321 2 24 . 1 1 17 17 GLU N N 15 119.05 . . 1 . . . . . 429 GLU N . 27321 2 25 . 1 1 18 18 ASP H H 1 8.14 . . 1 . . . . . 430 ASP H . 27321 2 26 . 1 1 18 18 ASP N N 15 120.74 . . 1 . . . . . 430 ASP N . 27321 2 27 . 1 1 19 19 LEU H H 1 8.1 . . 1 . . . . . 431 LEU H . 27321 2 28 . 1 1 19 19 LEU N N 15 122.55 . . 1 . . . . . 431 LEU N . 27321 2 29 . 1 1 20 20 GLU H H 1 8.39 . . 1 . . . . . 432 GLU H . 27321 2 30 . 1 1 20 20 GLU N N 15 121.15 . . 1 . . . . . 432 GLU N . 27321 2 31 . 1 1 21 21 ASP H H 1 8.35 . . 1 . . . . . 433 ASP H . 27321 2 32 . 1 1 21 21 ASP N N 15 120.88 . . 1 . . . . . 433 ASP N . 27321 2 33 . 1 1 22 22 GLY H H 1 8.06 . . 1 . . . . . 434 GLY H . 27321 2 34 . 1 1 22 22 GLY N N 15 108.68 . . 1 . . . . . 434 GLY N . 27321 2 35 . 1 1 24 24 CYS H H 1 8.55 . . 1 . . . . . 436 CYS H . 27321 2 36 . 1 1 24 24 CYS N N 15 118.45 . . 1 . . . . . 436 CYS N . 27321 2 37 . 1 1 25 25 GLY H H 1 8.3 . . 1 . . . . . 437 GLY H . 27321 2 38 . 1 1 25 25 GLY N N 15 110.59 . . 1 . . . . . 437 GLY N . 27321 2 39 . 1 1 26 26 HIS H H 1 8.27 . . 1 . . . . . 438 HIS H . 27321 2 40 . 1 1 26 26 HIS N N 15 119.4 . . 1 . . . . . 438 HIS N . 27321 2 41 . 1 1 27 27 SER H H 1 8.37 . . 1 . . . . . 439 SER H . 27321 2 42 . 1 1 27 27 SER N N 15 117.1 . . 1 . . . . . 439 SER N . 27321 2 43 . 1 1 28 28 SER H H 1 8.49 . . 1 . . . . . 440 SER H . 27321 2 44 . 1 1 28 28 SER N N 15 118.04 . . 1 . . . . . 440 SER N . 27321 2 45 . 1 1 29 29 HIS H H 1 8.42 . . 1 . . . . . 441 HIS H . 27321 2 46 . 1 1 29 29 HIS N N 15 121.48 . . 1 . . . . . 441 HIS N . 27321 2 47 . 1 1 30 30 SER H H 1 8.18 . . 1 . . . . . 442 SER H . 27321 2 48 . 1 1 30 30 SER N N 15 116.35 . . 1 . . . . . 442 SER N . 27321 2 49 . 1 1 31 31 HIS H H 1 8.25 . . 1 . . . . . 443 HIS H . 27321 2 50 . 1 1 31 31 HIS N N 15 120.92 . . 1 . . . . . 443 HIS N . 27321 2 51 . 1 1 32 32 GLY H H 1 8.37 . . 1 . . . . . 444 GLY H . 27321 2 52 . 1 1 32 32 GLY N N 15 108.87 . . 1 . . . . . 444 GLY N . 27321 2 53 . 1 1 33 33 GLY H H 1 8.39 . . 1 . . . . . 445 GLY H . 27321 2 54 . 1 1 33 33 GLY N N 15 109.84 . . 1 . . . . . 445 GLY N . 27321 2 55 . 1 1 34 34 HIS H H 1 8.19 . . 1 . . . . . 446 HIS H . 27321 2 56 . 1 1 34 34 HIS N N 15 119.19 . . 1 . . . . . 446 HIS N . 27321 2 57 . 1 1 35 35 SER H H 1 8.35 . . 1 . . . . . 447 SER H . 27321 2 58 . 1 1 35 35 SER N N 15 116.99 . . 1 . . . . . 447 SER N . 27321 2 59 . 1 1 36 36 HIS H H 1 8.47 . . 1 . . . . . 448 HIS H . 27321 2 60 . 1 1 36 36 HIS N N 15 121.57 . . 1 . . . . . 448 HIS N . 27321 2 61 . 1 1 37 37 GLY H H 1 8.391 . . 1 . . . . . 449 GLY H . 27321 2 62 . 1 1 37 37 GLY N N 15 109.84 . . 1 . . . . . 449 GLY N . 27321 2 63 . 1 1 38 38 VAL H H 1 8.03 . . 1 . . . . . 450 VAL H . 27321 2 64 . 1 1 38 38 VAL N N 15 119.42 . . 1 . . . . . 450 VAL N . 27321 2 65 . 1 1 39 39 SER H H 1 8.43 . . 1 . . . . . 451 SER H . 27321 2 66 . 1 1 39 39 SER N N 15 119.64 . . 1 . . . . . 451 SER N . 27321 2 67 . 1 1 40 40 LEU H H 1 8.33 . . 1 . . . . . 452 LEU H . 27321 2 68 . 1 1 40 40 LEU N N 15 124.71 . . 1 . . . . . 452 LEU N . 27321 2 69 . 1 1 41 41 GLN H H 1 8.32 . . 1 . . . . . 453 GLN H . 27321 2 70 . 1 1 41 41 GLN N N 15 121.09 . . 1 . . . . . 453 GLN N . 27321 2 71 . 1 1 42 42 LEU H H 1 8.2 . . 1 . . . . . 454 LEU H . 27321 2 72 . 1 1 42 42 LEU N N 15 123.74 . . 1 . . . . . 454 LEU N . 27321 2 73 . 1 1 43 43 ALA H H 1 8.4 . . 1 . . . . . 455 ALA H . 27321 2 74 . 1 1 43 43 ALA N N 15 126.15 . . 1 . . . . . 455 ALA N . 27321 2 75 . 1 1 45 45 SER H H 1 8.36 . . 1 . . . . . 457 SER H . 27321 2 76 . 1 1 45 45 SER N N 15 115.2 . . 1 . . . . . 457 SER N . 27321 2 77 . 1 1 46 46 GLU H H 1 8.46 . . 1 . . . . . 458 GLU H . 27321 2 78 . 1 1 46 46 GLU N N 15 122.49 . . 1 . . . . . 458 GLU N . 27321 2 79 . 1 1 47 47 LEU H H 1 8.07 . . 1 . . . . . 459 LEU H . 27321 2 80 . 1 1 47 47 LEU N N 15 122.33 . . 1 . . . . . 459 LEU N . 27321 2 81 . 1 1 48 48 ARG H H 1 8.22 . . 1 . . . . . 460 ARG H . 27321 2 82 . 1 1 48 48 ARG N N 15 121.75 . . 1 . . . . . 460 ARG N . 27321 2 83 . 1 1 49 49 GLN H H 1 8.34 . . 1 . . . . . 461 GLN H . 27321 2 84 . 1 1 49 49 GLN N N 15 122.5 . . 1 . . . . . 461 GLN N . 27321 2 85 . 1 1 51 51 LYS H H 1 8.43 . . 1 . . . . . 463 LYS H . 27321 2 86 . 1 1 51 51 LYS N N 15 123.04 . . 1 . . . . . 463 LYS N . 27321 2 87 . 1 1 54 54 HIS H H 1 8.24 . . 1 . . . . . 466 HIS H . 27321 2 88 . 1 1 54 54 HIS N N 15 118.73 . . 1 . . . . . 466 HIS N . 27321 2 89 . 1 1 55 55 GLU H H 1 8.33 . . 1 . . . . . 467 GLU H . 27321 2 90 . 1 1 55 55 GLU N N 15 123.02 . . 1 . . . . . 467 GLU N . 27321 2 91 . 1 1 56 56 GLY H H 1 8.49 . . 1 . . . . . 468 GLY H . 27321 2 92 . 1 1 56 56 GLY N N 15 110.5 . . 1 . . . . . 468 GLY N . 27321 2 93 . 1 1 57 57 SER H H 1 8.25 . . 1 . . . . . 469 SER H . 27321 2 94 . 1 1 57 57 SER N N 15 115.75 . . 1 . . . . . 469 SER N . 27321 2 95 . 1 1 58 58 ARG H H 1 8.46 . . 1 . . . . . 470 ARG H . 27321 2 96 . 1 1 58 58 ARG N N 15 123.17 . . 1 . . . . . 470 ARG N . 27321 2 97 . 1 1 59 59 ALA H H 1 8.39 . . 1 . . . . . 471 ALA H . 27321 2 98 . 1 1 59 59 ALA N N 15 124.96 . . 1 . . . . . 471 ALA N . 27321 2 99 . 1 1 60 60 ASP H H 1 8.29 . . 1 . . . . . 472 ASP H . 27321 2 100 . 1 1 60 60 ASP N N 15 118.17 . . 1 . . . . . 472 ASP N . 27321 2 101 . 1 1 61 61 LEU H H 1 7.91 . . 1 . . . . . 473 LEU H . 27321 2 102 . 1 1 61 61 LEU N N 15 121.51 . . 1 . . . . . 473 LEU N . 27321 2 103 . 1 1 62 62 VAL H H 1 8.08 . . 1 . . . . . 474 VAL H . 27321 2 104 . 1 1 62 62 VAL N N 15 121.38 . . 1 . . . . . 474 VAL N . 27321 2 105 . 1 1 63 63 ALA H H 1 8.35 . . 1 . . . . . 475 ALA H . 27321 2 106 . 1 1 63 63 ALA N N 15 127.94 . . 1 . . . . . 475 ALA N . 27321 2 107 . 1 1 64 64 GLU H H 1 8.36 . . 1 . . . . . 476 GLU H . 27321 2 108 . 1 1 64 64 GLU N N 15 120.24 . . 1 . . . . . 476 GLU N . 27321 2 109 . 1 1 65 65 GLU H H 1 8.4 . . 1 . . . . . 477 GLU H . 27321 2 110 . 1 1 65 65 GLU N N 15 121.86 . . 1 . . . . . 477 GLU N . 27321 2 111 . 1 1 66 66 SER H H 1 8.41 . . 1 . . . . . 478 SER H . 27321 2 112 . 1 1 66 66 SER N N 15 117.99 . . 1 . . . . . 478 SER N . 27321 2 113 . 1 1 68 68 GLU H H 1 8.57 . . 1 . . . . . 480 GLU H . 27321 2 114 . 1 1 68 68 GLU N N 15 120.04 . . 1 . . . . . 480 GLU N . 27321 2 115 . 1 1 69 69 LEU H H 1 8.03 . . 1 . . . . . 481 LEU H . 27321 2 116 . 1 1 69 69 LEU N N 15 122.33 . . 1 . . . . . 481 LEU N . 27321 2 117 . 1 1 70 70 LEU H H 1 8 . . 1 . . . . . 482 LEU H . 27321 2 118 . 1 1 70 70 LEU N N 15 121.82 . . 1 . . . . . 482 LEU N . 27321 2 119 . 1 1 71 71 ASN H H 1 8.29 . . 1 . . . . . 483 ASN H . 27321 2 120 . 1 1 71 71 ASN N N 15 119.7 . . 1 . . . . . 483 ASN N . 27321 2 121 . 1 1 73 73 GLU H H 1 8.36 . . 1 . . . . . 485 GLU H . 27321 2 122 . 1 1 73 73 GLU N N 15 122.15 . . 1 . . . . . 485 GLU N . 27321 2 123 . 1 1 75 75 ARG H H 1 8.35 . . 1 . . . . . 487 ARG H . 27321 2 124 . 1 1 75 75 ARG N N 15 122.7 . . 1 . . . . . 487 ARG N . 27321 2 125 . 1 1 76 76 ARG H H 1 8.42 . . 1 . . . . . 488 ARG H . 27321 2 126 . 1 1 76 76 ARG N N 15 120.82 . . 1 . . . . . 488 ARG N . 27321 2 127 . 1 1 77 77 LEU H H 1 8.33 . . 1 . . . . . 489 LEU H . 27321 2 128 . 1 1 77 77 LEU N N 15 123.54 . . 1 . . . . . 489 LEU N . 27321 2 129 . 1 1 78 78 SER H H 1 8.26 . . 1 . . . . . 490 SER H . 27321 2 130 . 1 1 78 78 SER N N 15 117.98 . . 1 . . . . . 490 SER N . 27321 2 131 . 1 1 80 80 GLU H H 1 8.62 . . 1 . . . . . 492 GLU H . 27321 2 132 . 1 1 80 80 GLU N N 15 119.54 . . 1 . . . . . 492 GLU N . 27321 2 133 . 1 1 81 81 LEU H H 1 8.04 . . 1 . . . . . 493 LEU H . 27321 2 134 . 1 1 81 81 LEU N N 15 122.56 . . 1 . . . . . 493 LEU N . 27321 2 135 . 1 1 82 82 ARG H H 1 8.14 . . 1 . . . . . 494 ARG H . 27321 2 136 . 1 1 82 82 ARG N N 15 120.98 . . 1 . . . . . 494 ARG N . 27321 2 137 . 1 1 84 84 LEU H H 1 8.09 . . 1 . . . . . 496 LEU H . 27321 2 138 . 1 1 84 84 LEU N N 15 123.99 . . 1 . . . . . 496 LEU N . 27321 2 139 . 1 1 86 86 TYR H H 1 8.16 . . 1 . . . . . 498 TYR H . 27321 2 140 . 1 1 86 86 TYR N N 15 119.96 . . 1 . . . . . 498 TYR N . 27321 2 141 . 1 1 87 87 GLY H H 1 8.24 . . 1 . . . . . 499 GLY H . 27321 2 142 . 1 1 87 87 GLY N N 15 110.98 . . 1 . . . . . 499 GLY N . 27321 2 143 . 1 1 89 89 GLY H H 1 8.42 . . 1 . . . . . 501 GLY H . 27321 2 144 . 1 1 89 89 GLY N N 15 110.3 . . 1 . . . . . 501 GLY N . 27321 2 145 . 1 1 90 90 LEU H H 1 8.2 . . 1 . . . . . 502 LEU H . 27321 2 146 . 1 1 90 90 LEU N N 15 121.55 . . 1 . . . . . 502 LEU N . 27321 2 147 . 1 1 91 91 SER H H 1 8.3 . . 1 . . . . . 503 SER H . 27321 2 148 . 1 1 91 91 SER N N 15 116.18 . . 1 . . . . . 503 SER N . 27321 2 149 . 1 1 92 92 ALA H H 1 8.25 . . 1 . . . . . 504 ALA H . 27321 2 150 . 1 1 92 92 ALA N N 15 125.2 . . 1 . . . . . 504 ALA N . 27321 2 151 . 1 1 93 93 TRP H H 1 7.95 . . 1 . . . . . 505 TRP H . 27321 2 152 . 1 1 93 93 TRP N N 15 119.02 . . 1 . . . . . 505 TRP N . 27321 2 153 . 1 1 94 94 SER H H 1 7.87 . . 1 . . . . . 506 SER H . 27321 2 154 . 1 1 94 94 SER N N 15 116.89 . . 1 . . . . . 506 SER N . 27321 2 155 . 1 1 95 95 HIS H H 1 8.09 . . 1 . . . . . 507 HIS H . 27321 2 156 . 1 1 95 95 HIS N N 15 122.3 . . 1 . . . . . 507 HIS N . 27321 2 157 . 1 1 97 97 GLN H H 1 8.74 . . 1 . . . . . 509 GLN H . 27321 2 158 . 1 1 97 97 GLN N N 15 120.54 . . 1 . . . . . 509 GLN N . 27321 2 159 . 1 1 98 98 PHE H H 1 8.16 . . 1 . . . . . 510 PHE H . 27321 2 160 . 1 1 98 98 PHE N N 15 120.43 . . 1 . . . . . 510 PHE N . 27321 2 161 . 1 1 99 99 GLU H H 1 8.31 . . 1 . . . . . 511 GLU H . 27321 2 162 . 1 1 99 99 GLU N N 15 122.63 . . 1 . . . . . 511 GLU N . 27321 2 163 . 1 1 100 100 LYS H H 1 7.91 . . 1 . . . . . 512 LYS H . 27321 2 164 . 1 1 100 100 LYS N N 15 127.05 . . 1 . . . . . 512 LYS N . 27321 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 27321 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 2 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 16 HetNOE_relaxation_800 . . . 27321 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 ARG N N 15 . 1 1 3 3 ARG H H 1 0.32959 0.00326 . . . 415 ARG N . 415 ARG H 27321 1 2 . 1 1 4 4 GLY N N 15 . 1 1 4 4 GLY H H 1 0.35755 0.00293 . . . 416 GLY N . 416 GLY H 27321 1 3 . 1 1 6 6 GLU N N 15 . 1 1 6 6 GLU H H 1 0.45762 0.00419 . . . 418 GLU N . 418 GLU H 27321 1 4 . 1 1 7 7 PHE N N 15 . 1 1 7 7 PHE H H 1 0.60584 0.00456 . . . 419 PHE N . 419 PHE H 27321 1 5 . 1 1 8 8 GLU N N 15 . 1 1 8 8 GLU H H 1 0.60883 0.00435 . . . 420 GLU N . 420 GLU H 27321 1 6 . 1 1 9 9 LEU N N 15 . 1 1 9 9 LEU H H 1 0.52588 0.00454 . . . 421 LEU N . 421 LEU H 27321 1 7 . 1 1 10 10 GLY N N 15 . 1 1 10 10 GLY H H 1 0.52865 0.00511 . . . 422 GLY N . 422 GLY H 27321 1 8 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.52824 0.00494 . . . 423 THR N . 423 THR H 27321 1 9 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.50323 0.00521 . . . 424 LEU N . 424 LEU H 27321 1 10 . 1 1 14 14 ARG N N 15 . 1 1 14 14 ARG H H 1 0.48745 0.00543 . . . 426 ARG N . 426 ARG H 27321 1 11 . 1 1 15 15 ASP N N 15 . 1 1 15 15 ASP H H 1 0.52024 0.0062 . . . 427 ASP N . 427 ASP H 27321 1 12 . 1 1 17 17 GLU N N 15 . 1 1 17 17 GLU H H 1 0.50199 0.00617 . . . 429 GLU N . 429 GLU H 27321 1 13 . 1 1 18 18 ASP N N 15 . 1 1 18 18 ASP H H 1 0.55125 0.00598 . . . 430 ASP N . 430 ASP H 27321 1 14 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.49309 0.00484 . . . 431 LEU N . 431 LEU H 27321 1 15 . 1 1 20 20 GLU N N 15 . 1 1 20 20 GLU H H 1 0.54355 0.00537 . . . 432 GLU N . 432 GLU H 27321 1 16 . 1 1 21 21 ASP N N 15 . 1 1 21 21 ASP H H 1 0.48522 0.00503 . . . 433 ASP N . 433 ASP H 27321 1 17 . 1 1 22 22 GLY N N 15 . 1 1 22 22 GLY H H 1 0.39453 0.0041 . . . 434 GLY N . 434 GLY H 27321 1 18 . 1 1 24 24 CYS N N 15 . 1 1 24 24 CYS H H 1 0.46414 0.00567 . . . 436 CYS N . 436 CYS H 27321 1 19 . 1 1 25 25 GLY N N 15 . 1 1 25 25 GLY H H 1 0.49764 0.00753 . . . 437 GLY N . 437 GLY H 27321 1 20 . 1 1 26 26 HIS N N 15 . 1 1 26 26 HIS H H 1 0.58804 0.01034 . . . 438 HIS N . 438 HIS H 27321 1 21 . 1 1 27 27 SER N N 15 . 1 1 27 27 SER H H 1 0.52163 0.0108 . . . 439 SER N . 439 SER H 27321 1 22 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.51066 0.01175 . . . 440 SER N . 440 SER H 27321 1 23 . 1 1 29 29 HIS N N 15 . 1 1 29 29 HIS H H 1 0.55303 0.01606 . . . 441 HIS N . 441 HIS H 27321 1 24 . 1 1 30 30 SER N N 15 . 1 1 30 30 SER H H 1 0.53129 0.0138 . . . 442 SER N . 442 SER H 27321 1 25 . 1 1 31 31 HIS N N 15 . 1 1 31 31 HIS H H 1 0.55933 0.01602 . . . 443 HIS N . 443 HIS H 27321 1 26 . 1 1 32 32 GLY N N 15 . 1 1 32 32 GLY H H 1 0.51291 0.00575 . . . 444 GLY N . 444 GLY H 27321 1 27 . 1 1 34 34 HIS N N 15 . 1 1 34 34 HIS H H 1 0.51598 0.01249 . . . 446 HIS N . 446 HIS H 27321 1 28 . 1 1 35 35 SER N N 15 . 1 1 35 35 SER H H 1 0.49612 0.01371 . . . 447 SER N . 447 SER H 27321 1 29 . 1 1 36 36 HIS N N 15 . 1 1 36 36 HIS H H 1 0.51626 0.00519 . . . 448 HIS N . 448 HIS H 27321 1 30 . 1 1 37 37 GLY N N 15 . 1 1 37 37 GLY H H 1 0.4713 0.00848 . . . 449 GLY N . 449 GLY H 27321 1 31 . 1 1 38 38 VAL N N 15 . 1 1 38 38 VAL H H 1 0.49442 0.00301 . . . 450 VAL N . 450 VAL H 27321 1 32 . 1 1 39 39 SER N N 15 . 1 1 39 39 SER H H 1 0.47439 0.00455 . . . 451 SER N . 451 SER H 27321 1 33 . 1 1 40 40 LEU N N 15 . 1 1 40 40 LEU H H 1 0.42953 0.0045 . . . 452 LEU N . 452 LEU H 27321 1 34 . 1 1 41 41 GLN N N 15 . 1 1 41 41 GLN H H 1 0.41369 0.00407 . . . 453 GLN N . 453 GLN H 27321 1 35 . 1 1 42 42 LEU N N 15 . 1 1 42 42 LEU H H 1 0.4913 0.00495 . . . 454 LEU N . 454 LEU H 27321 1 36 . 1 1 43 43 ALA N N 15 . 1 1 43 43 ALA H H 1 0.46188 0.00437 . . . 455 ALA N . 455 ALA H 27321 1 37 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.44763 0.00551 . . . 457 SER N . 457 SER H 27321 1 38 . 1 1 46 46 GLU N N 15 . 1 1 46 46 GLU H H 1 0.52319 0.00566 . . . 458 GLU N . 458 GLU H 27321 1 39 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.48009 0.00432 . . . 459 LEU N . 459 LEU H 27321 1 40 . 1 1 48 48 ARG N N 15 . 1 1 48 48 ARG H H 1 0.51249 0.00614 . . . 460 ARG N . 460 ARG H 27321 1 41 . 1 1 49 49 GLN N N 15 . 1 1 49 49 GLN H H 1 0.45541 0.0054 . . . 461 GLN N . 461 GLN H 27321 1 42 . 1 1 51 51 LYS N N 15 . 1 1 51 51 LYS H H 1 0.52906 0.00612 . . . 463 LYS N . 463 LYS H 27321 1 43 . 1 1 54 54 HIS N N 15 . 1 1 54 54 HIS H H 1 0.49061 0.00763 . . . 466 HIS N . 466 HIS H 27321 1 44 . 1 1 55 55 GLU N N 15 . 1 1 55 55 GLU H H 1 0.46134 0.00695 . . . 467 GLU N . 467 GLU H 27321 1 45 . 1 1 56 56 GLY N N 15 . 1 1 56 56 GLY H H 1 0.4516 0.00557 . . . 468 GLY N . 468 GLY H 27321 1 46 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.49492 0.00539 . . . 469 SER N . 469 SER H 27321 1 47 . 1 1 58 58 ARG N N 15 . 1 1 58 58 ARG H H 1 0.50344 0.00554 . . . 470 ARG N . 470 ARG H 27321 1 48 . 1 1 59 59 ALA N N 15 . 1 1 59 59 ALA H H 1 0.53105 0.00481 . . . 471 ALA N . 471 ALA H 27321 1 49 . 1 1 60 60 ASP N N 15 . 1 1 60 60 ASP H H 1 0.44564 0.00377 . . . 472 ASP N . 472 ASP H 27321 1 50 . 1 1 61 61 LEU N N 15 . 1 1 61 61 LEU H H 1 0.50076 0.00377 . . . 473 LEU N . 473 LEU H 27321 1 51 . 1 1 62 62 VAL N N 15 . 1 1 62 62 VAL H H 1 0.37429 0.00368 . . . 474 VAL N . 474 VAL H 27321 1 52 . 1 1 63 63 ALA N N 15 . 1 1 63 63 ALA H H 1 0.3684 0.0038 . . . 475 ALA N . 475 ALA H 27321 1 53 . 1 1 64 64 GLU N N 15 . 1 1 64 64 GLU H H 1 0.38834 0.00377 . . . 476 GLU N . 476 GLU H 27321 1 54 . 1 1 65 65 GLU N N 15 . 1 1 65 65 GLU H H 1 0.48172 0.00452 . . . 477 GLU N . 477 GLU H 27321 1 55 . 1 1 66 66 SER N N 15 . 1 1 66 66 SER H H 1 0.46186 0.00493 . . . 478 SER N . 478 SER H 27321 1 56 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.44602 0.00543 . . . 480 GLU N . 480 GLU H 27321 1 57 . 1 1 69 69 LEU N N 15 . 1 1 69 69 LEU H H 1 0.51017 0.0059 . . . 481 LEU N . 481 LEU H 27321 1 58 . 1 1 70 70 LEU N N 15 . 1 1 70 70 LEU H H 1 0.5168 0.0068 . . . 482 LEU N . 482 LEU H 27321 1 59 . 1 1 71 71 ASN N N 15 . 1 1 71 71 ASN H H 1 0.4528 0.0063 . . . 483 ASN N . 483 ASN H 27321 1 60 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.45071 0.00594 . . . 485 GLU N . 485 GLU H 27321 1 61 . 1 1 75 75 ARG N N 15 . 1 1 75 75 ARG H H 1 0.53604 0.00851 . . . 487 ARG N . 487 ARG H 27321 1 62 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.4878 0.0086 . . . 489 LEU N . 489 LEU H 27321 1 63 . 1 1 78 78 SER N N 15 . 1 1 78 78 SER H H 1 0.4776 0.00773 . . . 490 SER N . 490 SER H 27321 1 64 . 1 1 80 80 GLU N N 15 . 1 1 80 80 GLU H H 1 0.52527 0.00872 . . . 492 GLU N . 492 GLU H 27321 1 65 . 1 1 81 81 LEU N N 15 . 1 1 81 81 LEU H H 1 0.54387 0.00821 . . . 493 LEU N . 493 LEU H 27321 1 66 . 1 1 82 82 ARG N N 15 . 1 1 82 82 ARG H H 1 0.54816 0.01037 . . . 494 ARG N . 494 ARG H 27321 1 67 . 1 1 84 84 LEU N N 15 . 1 1 84 84 LEU H H 1 0.52749 0.01014 . . . 496 LEU N . 496 LEU H 27321 1 68 . 1 1 86 86 TYR N N 15 . 1 1 86 86 TYR H H 1 0.58017 0.00751 . . . 498 TYR N . 498 TYR H 27321 1 69 . 1 1 87 87 GLY N N 15 . 1 1 87 87 GLY H H 1 0.55051 0.00947 . . . 499 GLY N . 499 GLY H 27321 1 70 . 1 1 89 89 GLY N N 15 . 1 1 89 89 GLY H H 1 0.53169 0.0087 . . . 501 GLY N . 501 GLY H 27321 1 71 . 1 1 90 90 LEU N N 15 . 1 1 90 90 LEU H H 1 0.58733 0.00809 . . . 502 LEU N . 502 LEU H 27321 1 72 . 1 1 91 91 SER N N 15 . 1 1 91 91 SER H H 1 0.47975 0.00672 . . . 503 SER N . 503 SER H 27321 1 73 . 1 1 92 92 ALA N N 15 . 1 1 92 92 ALA H H 1 0.54687 0.00765 . . . 504 ALA N . 504 ALA H 27321 1 74 . 1 1 93 93 TRP N N 15 . 1 1 93 93 TRP H H 1 0.58029 0.00775 . . . 505 TRP N . 505 TRP H 27321 1 75 . 1 1 94 94 SER N N 15 . 1 1 94 94 SER H H 1 0.58739 0.01021 . . . 506 SER N . 506 SER H 27321 1 76 . 1 1 95 95 HIS N N 15 . 1 1 95 95 HIS H H 1 0.5074 0.00416 . . . 507 HIS N . 507 HIS H 27321 1 77 . 1 1 97 97 GLN N N 15 . 1 1 97 97 GLN H H 1 0.57867 0.00685 . . . 509 GLN N . 509 GLN H 27321 1 78 . 1 1 98 98 PHE N N 15 . 1 1 98 98 PHE H H 1 0.52119 0.00436 . . . 510 PHE N . 510 PHE H 27321 1 79 . 1 1 99 99 GLU N N 15 . 1 1 99 99 GLU H H 1 0.39983 0.00343 . . . 511 GLU N . 511 GLU H 27321 1 80 . 1 1 100 100 LYS N N 15 . 1 1 100 100 LYS H H 1 0.35519 0.00269 . . . 512 LYS N . 512 LYS H 27321 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_list_1 _Heteronucl_T1_list.Entry_ID 27321 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 2 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T1_list.Spectrometer_frequency_1H 800 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 14 T1_relaxation_800 . . . 27321 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 ARG N N 15 629.76 1 . . 415 ARG N 27321 1 2 . 1 1 4 4 GLY N N 15 596.65 0.68 . . 416 GLY N 27321 1 3 . 1 1 6 6 GLU N N 15 596.95 1.09 . . 418 GLU N 27321 1 4 . 1 1 7 7 PHE N N 15 607.21 1.01 . . 419 PHE N 27321 1 5 . 1 1 8 8 GLU N N 15 623.51 1.06 . . 420 GLU N 27321 1 6 . 1 1 9 9 LEU N N 15 659.35 1.17 . . 421 LEU N 27321 1 7 . 1 1 10 10 GLY N N 15 659.43 1.36 . . 422 GLY N 27321 1 8 . 1 1 11 11 THR N N 15 696.63 1.48 . . 423 THR N 27321 1 9 . 1 1 12 12 LEU N N 15 708.29 1.49 . . 424 LEU N 27321 1 10 . 1 1 14 14 ARG N N 15 742.94 1.9 . . 426 ARG N 27321 1 11 . 1 1 15 15 ASP N N 15 752.64 2.29 . . 427 ASP N 27321 1 12 . 1 1 17 17 GLU N N 15 771.13 2.06 . . 429 GLU N 27321 1 13 . 1 1 18 18 ASP N N 15 777.7 2.1 . . 430 ASP N 27321 1 14 . 1 1 19 19 LEU N N 15 748.67 1.71 . . 431 LEU N 27321 1 15 . 1 1 20 20 GLU N N 15 722.94 1.76 . . 432 GLU N 27321 1 16 . 1 1 21 21 ASP N N 15 712.05 1.74 . . 433 ASP N 27321 1 17 . 1 1 22 22 GLY N N 15 728 1.23 . . 434 GLY N 27321 1 18 . 1 1 24 24 CYS N N 15 692.02 1.94 . . 436 CYS N 27321 1 19 . 1 1 25 25 GLY N N 15 694.09 2.47 . . 437 GLY N 27321 1 20 . 1 1 26 26 HIS N N 15 703.37 4.14 . . 438 HIS N 27321 1 21 . 1 1 27 27 SER N N 15 715.68 5.88 . . 439 SER N 27321 1 22 . 1 1 28 28 SER N N 15 694.53 6.41 . . 440 SER N 27321 1 23 . 1 1 29 29 HIS N N 15 695.43 10.35 . . 441 HIS N 27321 1 24 . 1 1 30 30 SER N N 15 708.88 7 . . 442 SER N 27321 1 25 . 1 1 31 31 HIS N N 15 707.53 9.03 . . 443 HIS N 27321 1 26 . 1 1 32 32 GLY N N 15 669.75 1.91 . . 444 GLY N 27321 1 27 . 1 1 34 34 HIS N N 15 692.54 3.6 . . 446 HIS N 27321 1 28 . 1 1 35 35 SER N N 15 709.42 7.82 . . 447 SER N 27321 1 29 . 1 1 36 36 HIS N N 15 685.7 7.53 . . 448 HIS N 27321 1 30 . 1 1 38 38 VAL N N 15 712.33 1 . . 450 VAL N 27321 1 31 . 1 1 39 39 SER N N 15 680.86 15.42 . . 451 SER N 27321 1 32 . 1 1 40 40 LEU N N 15 683.41 1.41 . . 452 LEU N 27321 1 33 . 1 1 41 41 GLN N N 15 696.46 14.07 . . 453 GLN N 27321 1 34 . 1 1 42 42 LEU N N 15 717.07 1.56 . . 454 LEU N 27321 1 35 . 1 1 43 43 ALA N N 15 722.9 1.46 . . 455 ALA N 27321 1 36 . 1 1 45 45 SER N N 15 735.02 2.15 . . 457 SER N 27321 1 37 . 1 1 46 46 GLU N N 15 697.7 2.01 . . 458 GLU N 27321 1 38 . 1 1 47 47 LEU N N 15 681.02 2.48 . . 459 LEU N 27321 1 39 . 1 1 48 48 ARG N N 15 711.32 2.13 . . 460 ARG N 27321 1 40 . 1 1 49 49 GLN N N 15 740.21 2.69 . . 461 GLN N 27321 1 41 . 1 1 51 51 LYS N N 15 753.57 2.27 . . 463 LYS N 27321 1 42 . 1 1 54 54 HIS N N 15 730.21 3.31 . . 466 HIS N 27321 1 43 . 1 1 55 55 GLU N N 15 714.9 2.92 . . 467 GLU N 27321 1 44 . 1 1 56 56 GLY N N 15 695.8 1.96 . . 468 GLY N 27321 1 45 . 1 1 57 57 SER N N 15 710.12 1.86 . . 469 SER N 27321 1 46 . 1 1 58 58 ARG N N 15 684.1 2.24 . . 470 ARG N 27321 1 47 . 1 1 59 59 ALA N N 15 683.84 1.6 . . 471 ALA N 27321 1 48 . 1 1 60 60 ASP N N 15 720.73 1.23 . . 472 ASP N 27321 1 49 . 1 1 61 61 LEU N N 15 729.41 1.19 . . 473 LEU N 27321 1 50 . 1 1 62 62 VAL N N 15 723.96 1.21 . . 474 VAL N 27321 1 51 . 1 1 63 63 ALA N N 15 709.07 1.3 . . 475 ALA N 27321 1 52 . 1 1 64 64 GLU N N 15 751.65 1.27 . . 476 GLU N 27321 1 53 . 1 1 65 65 GLU N N 15 714.25 1.44 . . 477 GLU N 27321 1 54 . 1 1 66 66 SER N N 15 730.6 1.68 . . 478 SER N 27321 1 55 . 1 1 68 68 GLU N N 15 752.14 2.09 . . 480 GLU N 27321 1 56 . 1 1 69 69 LEU N N 15 747.8 2.43 . . 481 LEU N 27321 1 57 . 1 1 70 70 LEU N N 15 745.14 2.51 . . 482 LEU N 27321 1 58 . 1 1 71 71 ASN N N 15 757.44 2.42 . . 483 ASN N 27321 1 59 . 1 1 75 75 ARG N N 15 787.84 2.59 . . 487 ARG N 27321 1 60 . 1 1 76 76 ARG N N 15 759.95 3.59 . . 488 ARG N 27321 1 61 . 1 1 77 77 LEU N N 15 762.03 3.68 . . 489 LEU N 27321 1 62 . 1 1 78 78 SER N N 15 794.41 3.28 . . 490 SER N 27321 1 63 . 1 1 80 80 GLU N N 15 790.5 4.08 . . 492 GLU N 27321 1 64 . 1 1 81 81 LEU N N 15 799.94 3.95 . . 493 LEU N 27321 1 65 . 1 1 82 82 ARG N N 15 788.63 4.41 . . 494 ARG N 27321 1 66 . 1 1 84 84 LEU N N 15 822.94 4.39 . . 496 LEU N 27321 1 67 . 1 1 86 86 TYR N N 15 762.14 2.9 . . 498 TYR N 27321 1 68 . 1 1 87 87 GLY N N 15 745.32 4.07 . . 499 GLY N 27321 1 69 . 1 1 89 89 GLY N N 15 735.35 3.92 . . 501 GLY N 27321 1 70 . 1 1 90 90 LEU N N 15 710.35 2.82 . . 502 LEU N 27321 1 71 . 1 1 91 91 SER N N 15 738.73 2.62 . . 503 SER N 27321 1 72 . 1 1 92 92 ALA N N 15 715.83 3 . . 504 ALA N 27321 1 73 . 1 1 93 93 TRP N N 15 730.11 2.61 . . 505 TRP N 27321 1 74 . 1 1 94 94 SER N N 15 696.33 3.82 . . 506 SER N 27321 1 75 . 1 1 95 95 HIS N N 15 735 2.07 . . 507 HIS N 27321 1 76 . 1 1 97 97 GLN N N 15 659.11 2.23 . . 509 GLN N 27321 1 77 . 1 1 98 98 PHE N N 15 641.54 1.08 . . 510 PHE N 27321 1 78 . 1 1 99 99 GLU N N 15 608.43 0.91 . . 511 GLU N 27321 1 79 . 1 1 100 100 LYS N N 15 658.6 0.66 . . 512 LYS N 27321 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 27321 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 2 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 800 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units ms _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 15 T2_relaxation_800 . . . 27321 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 ARG N N 15 247.30 0.88 . . . . 415 ARG N 27321 1 2 . 1 1 4 4 GLY N N 15 234.55 0.63 . . . . 416 GLY N 27321 1 3 . 1 1 6 6 GLU N N 15 152.27 0.48 . . . . 418 GLU N 27321 1 4 . 1 1 7 7 PHE N N 15 141.41 0.42 . . . . 419 PHE N 27321 1 5 . 1 1 8 8 GLU N N 15 141.26 0.43 . . . . 420 GLU N 27321 1 6 . 1 1 9 9 LEU N N 15 134.55 0.43 . . . . 421 LEU N 27321 1 7 . 1 1 10 10 GLY N N 15 160.42 0.65 . . . . 422 GLY N 27321 1 8 . 1 1 11 11 THR N N 15 133.80 0.52 . . . . 423 THR N 27321 1 9 . 1 1 12 12 LEU N N 15 136.90 0.53 . . . . 424 LEU N 27321 1 10 . 1 1 14 14 ARG N N 15 110.20 0.44 . . . . 426 ARG N 27321 1 11 . 1 1 15 15 ASP N N 15 104.83 0.48 . . . . 427 ASP N 27321 1 12 . 1 1 17 17 GLU N N 15 83.74 0.28 . . . . 429 GLU N 27321 1 13 . 1 1 18 18 ASP N N 15 89.58 0.32 . . . . 430 ASP N 27321 1 14 . 1 1 19 19 LEU N N 15 108.10 0.38 . . . . 431 LEU N 27321 1 15 . 1 1 20 20 GLU N N 15 103.33 0.35 . . . . 432 GLU N 27321 1 16 . 1 1 21 21 ASP N N 15 111.33 0.42 . . . . 433 ASP N 27321 1 17 . 1 1 22 22 GLY N N 15 163.85 0.56 . . . . 434 GLY N 27321 1 18 . 1 1 24 24 CYS N N 15 113.85 0.49 . . . . 436 CYS N 27321 1 19 . 1 1 25 25 GLY N N 15 128.92 0.79 . . . . 437 GLY N 27321 1 20 . 1 1 26 26 HIS N N 15 106.82 0.91 . . . . 438 HIS N 27321 1 21 . 1 1 27 27 SER N N 15 111.58 1.44 . . . . 439 SER N 27321 1 22 . 1 1 28 28 SER N N 15 108.51 1.48 . . . . 440 SER N 27321 1 23 . 1 1 29 29 HIS N N 15 111.34 2.34 . . . . 441 HIS N 27321 1 24 . 1 1 30 30 SER N N 15 112.57 1.73 . . . . 442 SER N 27321 1 25 . 1 1 31 31 HIS N N 15 108.86 2.11 . . . . 443 HIS N 27321 1 26 . 1 1 32 32 GLY N N 15 152.86 0.82 . . . . 444 GLY N 27321 1 27 . 1 1 34 34 HIS N N 15 119.65 1.01 . . . . 446 HIS N 27321 1 28 . 1 1 35 35 SER N N 15 119.42 2.10 . . . . 447 SER N 27321 1 29 . 1 1 36 36 HIS N N 15 115.95 1.83 . . . . 448 HIS N 27321 1 30 . 1 1 38 38 VAL N N 15 106.09 0.22 . . . . 450 VAL N 27321 1 31 . 1 1 39 39 SER N N 15 109.14 0.37 . . . . 451 SER N 27321 1 32 . 1 1 40 40 LEU N N 15 125.49 0.45 . . . . 452 LEU N 27321 1 33 . 1 1 41 41 GLN N N 15 111.34 0.35 . . . . 453 GLN N 27321 1 34 . 1 1 42 42 LEU N N 15 113.24 0.40 . . . . 454 LEU N 27321 1 35 . 1 1 43 43 ALA N N 15 119.58 0.39 . . . . 455 ALA N 27321 1 36 . 1 1 45 45 SER N N 15 86.04 0.33 . . . . 457 SER N 27321 1 37 . 1 1 46 46 GLU N N 15 97.17 0.39 . . . . 458 GLU N 27321 1 38 . 1 1 47 47 LEU N N 15 102.82 0.48 . . . . 459 LEU N 27321 1 39 . 1 1 48 48 ARG N N 15 99.59 0.42 . . . . 460 ARG N 27321 1 40 . 1 1 49 49 GLN N N 15 93.58 0.45 . . . . 461 GLN N 27321 1 41 . 1 1 51 51 LYS N N 15 99.68 0.42 . . . . 463 LYS N 27321 1 42 . 1 1 54 54 HIS N N 15 88.54 0.53 . . . . 466 HIS N 27321 1 43 . 1 1 55 55 GLU N N 15 102.84 0.59 . . . . 467 GLU N 27321 1 44 . 1 1 56 56 GLY N N 15 132.67 0.65 . . . . 468 GLY N 27321 1 45 . 1 1 57 57 SER N N 15 116.66 0.48 . . . . 469 SER N 27321 1 46 . 1 1 58 58 ARG N N 15 121.57 0.63 . . . . 470 ARG N 27321 1 47 . 1 1 59 59 ALA N N 15 117.18 0.43 . . . . 471 ALA N 27321 1 48 . 1 1 60 60 ASP N N 15 107.86 0.28 . . . . 472 ASP N 27321 1 49 . 1 1 61 61 LEU N N 15 114.08 0.29 . . . . 473 LEU N 27321 1 50 . 1 1 62 62 VAL N N 15 117.50 0.32 . . . . 474 VAL N 27321 1 51 . 1 1 63 63 ALA N N 15 126.16 0.40 . . . . 475 ALA N 27321 1 52 . 1 1 64 64 GLU N N 15 109.62 0.29 . . . . 476 GLU N 27321 1 53 . 1 1 65 65 GLU N N 15 112.00 0.35 . . . . 477 GLU N 27321 1 54 . 1 1 66 66 SER N N 15 105.00 0.36 . . . . 478 SER N 27321 1 55 . 1 1 68 68 GLU N N 15 87.82 0.32 . . . . 480 GLU N 27321 1 56 . 1 1 69 69 LEU N N 15 86.12 0.36 . . . . 481 LEU N 27321 1 57 . 1 1 70 70 LEU N N 15 99.42 0.48 . . . . 482 LEU N 27321 1 58 . 1 1 71 71 ASN N N 15 92.26 0.41 . . . . 483 ASN N 27321 1 59 . 1 1 75 75 ARG N N 15 86.40 0.38 . . . . 487 ARG N 27321 1 60 . 1 1 76 76 ARG N N 15 69.38 0.40 . . . . 488 ARG N 27321 1 61 . 1 1 77 77 LEU N N 15 80.87 0.50 . . . . 489 LEU N 27321 1 62 . 1 1 78 78 SER N N 15 79.13 0.41 . . . . 490 SER N 27321 1 63 . 1 1 80 80 GLU N N 15 64.61 0.42 . . . . 492 GLU N 27321 1 64 . 1 1 81 81 LEU N N 15 64.45 0.40 . . . . 493 LEU N 27321 1 65 . 1 1 82 82 ARG N N 15 69.91 0.48 . . . . 494 ARG N 27321 1 66 . 1 1 84 84 LEU N N 15 70.10 0.46 . . . . 496 LEU N 27321 1 67 . 1 1 86 86 TYR N N 15 70.51 0.34 . . . . 498 TYR N 27321 1 68 . 1 1 87 87 GLY N N 15 77.69 0.55 . . . . 499 GLY N 27321 1 69 . 1 1 89 89 GLY N N 15 99.81 0.75 . . . . 501 GLY N 27321 1 70 . 1 1 90 90 LEU N N 15 92.09 0.50 . . . . 502 LEU N 27321 1 71 . 1 1 91 91 SER N N 15 94.79 0.46 . . . . 503 SER N 27321 1 72 . 1 1 92 92 ALA N N 15 98.34 0.58 . . . . 504 ALA N 27321 1 73 . 1 1 93 93 TRP N N 15 79.94 0.36 . . . . 505 TRP N 27321 1 74 . 1 1 94 94 SER N N 15 90.29 0.64 . . . . 506 SER N 27321 1 75 . 1 1 95 95 HIS N N 15 79.11 0.30 . . . . 507 HIS N 27321 1 76 . 1 1 97 97 GLN N N 15 114.32 0.57 . . . . 509 GLN N 27321 1 77 . 1 1 98 98 PHE N N 15 126.76 0.35 . . . . 510 PHE N 27321 1 78 . 1 1 99 99 GLU N N 15 162.80 0.46 . . . . 511 GLU N 27321 1 79 . 1 1 100 100 LYS N N 15 251.58 0.61 . . . . 512 LYS N 27321 1 stop_ save_