data_34055 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34055 _Entry.Title ; C-terminal domain structure of VSG M1.1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-10-19 _Entry.Accession_date 2016-10-19 _Entry.Last_release_date 2016-11-11 _Entry.Original_release_date 2016-11-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 N. Jones N. G. . . 34055 2 H. Mott H. R. . . 34055 3 M. Carrington M. . . . 34055 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Membrane protein' . 34055 ; variant surface glycoprotein immune evasion Trypanosoma brucei GPI-anchored protein ; . 34055 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34055 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 81 34055 '1H chemical shifts' 490 34055 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-02-27 2016-10-19 update BMRB 'update entry citation' 34055 1 . . 2017-09-14 2016-10-19 original author 'original release' 34055 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5M4T 'BMRB Entry Tracking System' 34055 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34055 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28894098 _Citation.Full_citation . _Citation.Title ; Structural basis for the shielding function of the dynamic trypanosome variant surface glycoprotein coat ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Microbiol.' _Citation.Journal_name_full . _Citation.Journal_volume 2 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 1523 _Citation.Page_last 1532 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Thomas Bartossek T. . . . 34055 1 2 Nicola Jones N. G. . . 34055 1 3 Christin Schafer C. . . . 34055 1 4 Mislav Cvitkovic M. . . . 34055 1 5 Marius Glogger M. . . . 34055 1 6 Helen Mott H. R. . . 34055 1 7 Jochen Kuper J. . . . 34055 1 8 Martha Brennich M. . . . 34055 1 9 Mark Carrington M. . . . 34055 1 10 Ana-Suncana Smith A. S. . . 34055 1 11 Susanne Fenz S. . . . 34055 1 12 Caroline Kisker C. . . . 34055 1 13 Markus Engstler M. . . . 34055 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34055 _Assembly.ID 1 _Assembly.Name 'Variant surface glycoprotein MITAT 1.1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34055 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34055 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Variant surface glycoprotein MITAT 1.1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSKKQQTESAENKEKICNAA KDNQKACENLKEKGCVFNTE SNKCELKKDVKEKLEKESKE TEGKDEKANTTGS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8156.062 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID VSG na 34055 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 1 371 GLY . 34055 1 2 372 SER . 34055 1 3 373 LYS . 34055 1 4 374 LYS . 34055 1 5 375 GLN . 34055 1 6 376 GLN . 34055 1 7 377 THR . 34055 1 8 378 GLU . 34055 1 9 379 SER . 34055 1 10 380 ALA . 34055 1 11 381 GLU . 34055 1 12 382 ASN . 34055 1 13 383 LYS . 34055 1 14 384 GLU . 34055 1 15 385 LYS . 34055 1 16 386 ILE . 34055 1 17 387 CYS . 34055 1 18 388 ASN . 34055 1 19 389 ALA . 34055 1 20 390 ALA . 34055 1 21 391 LYS . 34055 1 22 392 ASP . 34055 1 23 393 ASN . 34055 1 24 394 GLN . 34055 1 25 395 LYS . 34055 1 26 396 ALA . 34055 1 27 397 CYS . 34055 1 28 398 GLU . 34055 1 29 399 ASN . 34055 1 30 400 LEU . 34055 1 31 401 LYS . 34055 1 32 402 GLU . 34055 1 33 403 LYS . 34055 1 34 404 GLY . 34055 1 35 405 CYS . 34055 1 36 406 VAL . 34055 1 37 407 PHE . 34055 1 38 408 ASN . 34055 1 39 409 THR . 34055 1 40 410 GLU . 34055 1 41 411 SER . 34055 1 42 412 ASN . 34055 1 43 413 LYS . 34055 1 44 414 CYS . 34055 1 45 415 GLU . 34055 1 46 416 LEU . 34055 1 47 417 LYS . 34055 1 48 418 LYS . 34055 1 49 419 ASP . 34055 1 50 420 VAL . 34055 1 51 421 LYS . 34055 1 52 422 GLU . 34055 1 53 423 LYS . 34055 1 54 424 LEU . 34055 1 55 425 GLU . 34055 1 56 426 LYS . 34055 1 57 427 GLU . 34055 1 58 428 SER . 34055 1 59 429 LYS . 34055 1 60 430 GLU . 34055 1 61 431 THR . 34055 1 62 432 GLU . 34055 1 63 433 GLY . 34055 1 64 434 LYS . 34055 1 65 435 ASP . 34055 1 66 436 GLU . 34055 1 67 437 LYS . 34055 1 68 438 ALA . 34055 1 69 439 ASN . 34055 1 70 440 THR . 34055 1 71 441 THR . 34055 1 72 442 GLY . 34055 1 73 443 SER . 34055 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 34055 1 . SER 2 2 34055 1 . LYS 3 3 34055 1 . LYS 4 4 34055 1 . GLN 5 5 34055 1 . GLN 6 6 34055 1 . THR 7 7 34055 1 . GLU 8 8 34055 1 . SER 9 9 34055 1 . ALA 10 10 34055 1 . GLU 11 11 34055 1 . ASN 12 12 34055 1 . LYS 13 13 34055 1 . GLU 14 14 34055 1 . LYS 15 15 34055 1 . ILE 16 16 34055 1 . CYS 17 17 34055 1 . ASN 18 18 34055 1 . ALA 19 19 34055 1 . ALA 20 20 34055 1 . LYS 21 21 34055 1 . ASP 22 22 34055 1 . ASN 23 23 34055 1 . GLN 24 24 34055 1 . LYS 25 25 34055 1 . ALA 26 26 34055 1 . CYS 27 27 34055 1 . GLU 28 28 34055 1 . ASN 29 29 34055 1 . LEU 30 30 34055 1 . LYS 31 31 34055 1 . GLU 32 32 34055 1 . LYS 33 33 34055 1 . GLY 34 34 34055 1 . CYS 35 35 34055 1 . VAL 36 36 34055 1 . PHE 37 37 34055 1 . ASN 38 38 34055 1 . THR 39 39 34055 1 . GLU 40 40 34055 1 . SER 41 41 34055 1 . ASN 42 42 34055 1 . LYS 43 43 34055 1 . CYS 44 44 34055 1 . GLU 45 45 34055 1 . LEU 46 46 34055 1 . LYS 47 47 34055 1 . LYS 48 48 34055 1 . ASP 49 49 34055 1 . VAL 50 50 34055 1 . LYS 51 51 34055 1 . GLU 52 52 34055 1 . LYS 53 53 34055 1 . LEU 54 54 34055 1 . GLU 55 55 34055 1 . LYS 56 56 34055 1 . GLU 57 57 34055 1 . SER 58 58 34055 1 . LYS 59 59 34055 1 . GLU 60 60 34055 1 . THR 61 61 34055 1 . GLU 62 62 34055 1 . GLY 63 63 34055 1 . LYS 64 64 34055 1 . ASP 65 65 34055 1 . GLU 66 66 34055 1 . LYS 67 67 34055 1 . ALA 68 68 34055 1 . ASN 69 69 34055 1 . THR 70 70 34055 1 . THR 71 71 34055 1 . GLY 72 72 34055 1 . SER 73 73 34055 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 34055 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 5702 organism . 'Trypanosoma brucei brucei' kinetoplastids . . Eukaryota . Trypanosoma brucei . . . . . . . . . . . . . 34055 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 34055 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34055 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34055 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-15N] Variant surface glycoprotein MITat1.1, 50 mM sodium phosphate, 150 mM sodium chloride, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Variant surface glycoprotein MITat1.1' [U-15N] . . 1 $entity_1 . . 0.5 . . mM . . . . 34055 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 34055 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34055 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 34055 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 34055 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34055 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM Variant surface glycoprotein MITat1.1, 50 mM sodium phosphate, 150 mM sodium chloride, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Variant surface glycoprotein MITat1.1' 'natural abundance' . . 1 $entity_1 . . 0.5 . . mM . . . . 34055 2 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 34055 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34055 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 34055 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 34055 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34055 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 34055 1 pH 6.0 . pH 34055 1 pressure 1 . atm 34055 1 temperature 298 . K 34055 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34055 _Software.ID 1 _Software.Type . _Software.Name ANSIG _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . . 34055 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34055 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34055 _Software.ID 2 _Software.Type . _Software.Name AZARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Boucher . . 34055 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34055 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34055 _Software.ID 3 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34055 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34055 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34055 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34055 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34055 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 34055 _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 NMR_spectrometer_1 Bruker DRX . 500 . . . 34055 1 2 NMR_spectrometer_2 Bruker DRX . 600 . . . 34055 1 3 NMR_spectrometer_3 Bruker DRX . 800 . . . 34055 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 34055 _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 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34055 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34055 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34055 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34055 1 5 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34055 1 6 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34055 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34055 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34055 _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 H 1 DSS protons . . . . ppm 0.00 external direct 1 . . . . . 34055 1 N 15 DSS nitrogen . . . . ppm 0.00 external indirect 0.101329118 . . . . . 34055 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34055 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0 _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _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 '3D HNHA' . . . 34055 1 2 '2D 1H-15N HSQC' . . . 34055 1 3 '3D 1H-15N TOCSY' . . . 34055 1 4 '3D 1H-15N NOESY' . . . 34055 1 5 '2D DQF-COSY' . . . 34055 1 6 '2D 1H-1H TOCSY' . . . 34055 1 7 '2D 1H-1H NOESY' . . . 34055 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 3 3 LYS H H 1 8.447 0.006 . 1 . . . . A 373 LYS H . 34055 1 2 . 1 1 3 3 LYS HA H 1 4.251 0.002 . 1 . . . . A 373 LYS HA . 34055 1 3 . 1 1 3 3 LYS HB2 H 1 1.704 0.034 . 1 . . . . A 373 LYS HB2 . 34055 1 4 . 1 1 3 3 LYS HB3 H 1 1.704 0.034 . 1 . . . . A 373 LYS HB3 . 34055 1 5 . 1 1 3 3 LYS HG2 H 1 1.358 0.000 . 1 . . . . A 373 LYS HG2 . 34055 1 6 . 1 1 3 3 LYS HG3 H 1 1.358 0.000 . 1 . . . . A 373 LYS HG3 . 34055 1 7 . 1 1 3 3 LYS HD2 H 1 1.596 0.001 . 1 . . . . A 373 LYS HD2 . 34055 1 8 . 1 1 3 3 LYS HD3 H 1 1.596 0.001 . 1 . . . . A 373 LYS HD3 . 34055 1 9 . 1 1 3 3 LYS HE2 H 1 2.910 0.002 . 1 . . . . A 373 LYS HE2 . 34055 1 10 . 1 1 3 3 LYS HE3 H 1 2.910 0.002 . 1 . . . . A 373 LYS HE3 . 34055 1 11 . 1 1 3 3 LYS N N 15 123.446 0.019 . 1 . . . . A 373 LYS N . 34055 1 12 . 1 1 4 4 LYS H H 1 8.315 0.003 . 1 . . . . A 374 LYS H . 34055 1 13 . 1 1 4 4 LYS HA H 1 4.189 0.000 . 1 . . . . A 374 LYS HA . 34055 1 14 . 1 1 4 4 LYS HB2 H 1 1.681 0.002 . 1 . . . . A 374 LYS HB2 . 34055 1 15 . 1 1 4 4 LYS HB3 H 1 1.681 0.002 . 1 . . . . A 374 LYS HB3 . 34055 1 16 . 1 1 4 4 LYS HG2 H 1 1.340 0.007 . 1 . . . . A 374 LYS HG2 . 34055 1 17 . 1 1 4 4 LYS HG3 H 1 1.340 0.007 . 1 . . . . A 374 LYS HG3 . 34055 1 18 . 1 1 4 4 LYS HD2 H 1 1.592 0.004 . 1 . . . . A 374 LYS HD2 . 34055 1 19 . 1 1 4 4 LYS HD3 H 1 1.592 0.004 . 1 . . . . A 374 LYS HD3 . 34055 1 20 . 1 1 4 4 LYS HE2 H 1 2.912 0.003 . 1 . . . . A 374 LYS HE2 . 34055 1 21 . 1 1 4 4 LYS HE3 H 1 2.912 0.003 . 1 . . . . A 374 LYS HE3 . 34055 1 22 . 1 1 4 4 LYS N N 15 122.829 0.016 . 1 . . . . A 374 LYS N . 34055 1 23 . 1 1 5 5 GLN H H 1 8.355 0.002 . 1 . . . . A 375 GLN H . 34055 1 24 . 1 1 5 5 GLN HA H 1 4.223 0.002 . 1 . . . . A 375 GLN HA . 34055 1 25 . 1 1 5 5 GLN HB2 H 1 1.998 0.001 . 2 . . . . A 375 GLN HB2 . 34055 1 26 . 1 1 5 5 GLN HB3 H 1 1.908 0.004 . 2 . . . . A 375 GLN HB3 . 34055 1 27 . 1 1 5 5 GLN HG2 H 1 2.285 0.001 . 1 . . . . A 375 GLN HG2 . 34055 1 28 . 1 1 5 5 GLN HG3 H 1 2.285 0.001 . 1 . . . . A 375 GLN HG3 . 34055 1 29 . 1 1 5 5 GLN HE21 H 1 7.476 0.002 . 1 . . . . A 375 GLN HE21 . 34055 1 30 . 1 1 5 5 GLN HE22 H 1 6.799 0.005 . 1 . . . . A 375 GLN HE22 . 34055 1 31 . 1 1 5 5 GLN N N 15 121.658 0.029 . 1 . . . . A 375 GLN N . 34055 1 32 . 1 1 5 5 GLN NE2 N 15 112.291 0.001 . 1 . . . . A 375 GLN NE2 . 34055 1 33 . 1 1 6 6 GLN H H 1 8.435 0.003 . 1 . . . . A 376 GLN H . 34055 1 34 . 1 1 6 6 GLN HA H 1 4.310 0.003 . 1 . . . . A 376 GLN HA . 34055 1 35 . 1 1 6 6 GLN HB2 H 1 2.043 0.009 . 2 . . . . A 376 GLN HB2 . 34055 1 36 . 1 1 6 6 GLN HB3 H 1 1.936 0.004 . 2 . . . . A 376 GLN HB3 . 34055 1 37 . 1 1 6 6 GLN HG2 H 1 2.297 0.002 . 1 . . . . A 376 GLN HG2 . 34055 1 38 . 1 1 6 6 GLN HG3 H 1 2.297 0.002 . 1 . . . . A 376 GLN HG3 . 34055 1 39 . 1 1 6 6 GLN HE21 H 1 7.487 0.004 . 1 . . . . A 376 GLN HE21 . 34055 1 40 . 1 1 6 6 GLN HE22 H 1 6.808 0.005 . 1 . . . . A 376 GLN HE22 . 34055 1 41 . 1 1 6 6 GLN N N 15 121.895 0.012 . 1 . . . . A 376 GLN N . 34055 1 42 . 1 1 6 6 GLN NE2 N 15 112.242 0.001 . 1 . . . . A 376 GLN NE2 . 34055 1 43 . 1 1 7 7 THR H H 1 8.166 0.004 . 1 . . . . A 377 THR H . 34055 1 44 . 1 1 7 7 THR HA H 1 4.213 0.002 . 1 . . . . A 377 THR HA . 34055 1 45 . 1 1 7 7 THR HB H 1 4.135 0.007 . 1 . . . . A 377 THR HB . 34055 1 46 . 1 1 7 7 THR HG21 H 1 1.130 0.004 . 1 . . . . A 377 THR HG21 . 34055 1 47 . 1 1 7 7 THR HG22 H 1 1.130 0.004 . 1 . . . . A 377 THR HG22 . 34055 1 48 . 1 1 7 7 THR HG23 H 1 1.130 0.004 . 1 . . . . A 377 THR HG23 . 34055 1 49 . 1 1 7 7 THR N N 15 115.633 0.012 . 1 . . . . A 377 THR N . 34055 1 50 . 1 1 8 8 GLU H H 1 8.378 0.004 . 1 . . . . A 378 GLU H . 34055 1 51 . 1 1 8 8 GLU HA H 1 4.297 0.005 . 1 . . . . A 378 GLU HA . 34055 1 52 . 1 1 8 8 GLU HB2 H 1 1.947 0.001 . 2 . . . . A 378 GLU HB2 . 34055 1 53 . 1 1 8 8 GLU HB3 H 1 1.883 0.004 . 2 . . . . A 378 GLU HB3 . 34055 1 54 . 1 1 8 8 GLU HG2 H 1 2.204 0.003 . 1 . . . . A 378 GLU HG2 . 34055 1 55 . 1 1 8 8 GLU HG3 H 1 2.204 0.003 . 1 . . . . A 378 GLU HG3 . 34055 1 56 . 1 1 8 8 GLU N N 15 123.237 0.010 . 1 . . . . A 378 GLU N . 34055 1 57 . 1 1 9 9 SER H H 1 8.325 0.003 . 1 . . . . A 379 SER H . 34055 1 58 . 1 1 9 9 SER HA H 1 4.358 0.003 . 1 . . . . A 379 SER HA . 34055 1 59 . 1 1 9 9 SER HB2 H 1 4.001 0.007 . 2 . . . . A 379 SER HB2 . 34055 1 60 . 1 1 9 9 SER HB3 H 1 3.844 0.005 . 2 . . . . A 379 SER HB3 . 34055 1 61 . 1 1 9 9 SER N N 15 116.993 0.022 . 1 . . . . A 379 SER N . 34055 1 62 . 1 1 10 10 ALA H H 1 8.601 0.007 . 1 . . . . A 380 ALA H . 34055 1 63 . 1 1 10 10 ALA HA H 1 4.040 0.007 . 1 . . . . A 380 ALA HA . 34055 1 64 . 1 1 10 10 ALA HB1 H 1 1.349 0.002 . 1 . . . . A 380 ALA HB1 . 34055 1 65 . 1 1 10 10 ALA HB2 H 1 1.349 0.002 . 1 . . . . A 380 ALA HB2 . 34055 1 66 . 1 1 10 10 ALA HB3 H 1 1.349 0.002 . 1 . . . . A 380 ALA HB3 . 34055 1 67 . 1 1 10 10 ALA N N 15 125.657 0.017 . 1 . . . . A 380 ALA N . 34055 1 68 . 1 1 11 11 GLU H H 1 8.383 0.002 . 1 . . . . A 381 GLU H . 34055 1 69 . 1 1 11 11 GLU HA H 1 4.032 0.004 . 1 . . . . A 381 GLU HA . 34055 1 70 . 1 1 11 11 GLU HB2 H 1 1.910 0.001 . 1 . . . . A 381 GLU HB2 . 34055 1 71 . 1 1 11 11 GLU HB3 H 1 1.910 0.001 . 1 . . . . A 381 GLU HB3 . 34055 1 72 . 1 1 11 11 GLU HG2 H 1 2.173 0.004 . 1 . . . . A 381 GLU HG2 . 34055 1 73 . 1 1 11 11 GLU HG3 H 1 2.173 0.004 . 1 . . . . A 381 GLU HG3 . 34055 1 74 . 1 1 11 11 GLU N N 15 118.121 0.031 . 1 . . . . A 381 GLU N . 34055 1 75 . 1 1 12 12 ASN H H 1 8.080 0.002 . 1 . . . . A 382 ASN H . 34055 1 76 . 1 1 12 12 ASN HA H 1 4.489 0.003 . 1 . . . . A 382 ASN HA . 34055 1 77 . 1 1 12 12 ASN HB2 H 1 2.790 0.002 . 1 . . . . A 382 ASN HB2 . 34055 1 78 . 1 1 12 12 ASN HB3 H 1 2.790 0.002 . 1 . . . . A 382 ASN HB3 . 34055 1 79 . 1 1 12 12 ASN HD21 H 1 7.687 0.003 . 1 . . . . A 382 ASN HD21 . 34055 1 80 . 1 1 12 12 ASN HD22 H 1 6.957 0.002 . 1 . . . . A 382 ASN HD22 . 34055 1 81 . 1 1 12 12 ASN N N 15 119.398 0.032 . 1 . . . . A 382 ASN N . 34055 1 82 . 1 1 12 12 ASN ND2 N 15 112.590 0.028 . 1 . . . . A 382 ASN ND2 . 34055 1 83 . 1 1 13 13 LYS H H 1 8.192 0.005 . 1 . . . . A 383 LYS H . 34055 1 84 . 1 1 13 13 LYS HA H 1 3.945 0.006 . 1 . . . . A 383 LYS HA . 34055 1 85 . 1 1 13 13 LYS HB2 H 1 1.764 0.006 . 2 . . . . A 383 LYS HB2 . 34055 1 86 . 1 1 13 13 LYS HB3 H 1 1.883 0.003 . 2 . . . . A 383 LYS HB3 . 34055 1 87 . 1 1 13 13 LYS HG2 H 1 1.385 0.003 . 1 . . . . A 383 LYS HG2 . 34055 1 88 . 1 1 13 13 LYS HG3 H 1 1.385 0.003 . 1 . . . . A 383 LYS HG3 . 34055 1 89 . 1 1 13 13 LYS HD2 H 1 1.603 0.005 . 1 . . . . A 383 LYS HD2 . 34055 1 90 . 1 1 13 13 LYS HD3 H 1 1.603 0.005 . 1 . . . . A 383 LYS HD3 . 34055 1 91 . 1 1 13 13 LYS HE2 H 1 2.906 0.004 . 1 . . . . A 383 LYS HE2 . 34055 1 92 . 1 1 13 13 LYS HE3 H 1 2.906 0.004 . 1 . . . . A 383 LYS HE3 . 34055 1 93 . 1 1 13 13 LYS N N 15 120.937 0.017 . 1 . . . . A 383 LYS N . 34055 1 94 . 1 1 14 14 GLU H H 1 8.312 0.003 . 1 . . . . A 384 GLU H . 34055 1 95 . 1 1 14 14 GLU HA H 1 3.812 0.003 . 1 . . . . A 384 GLU HA . 34055 1 96 . 1 1 14 14 GLU HB2 H 1 2.016 0.003 . 1 . . . . A 384 GLU HB2 . 34055 1 97 . 1 1 14 14 GLU HB3 H 1 2.016 0.003 . 1 . . . . A 384 GLU HB3 . 34055 1 98 . 1 1 14 14 GLU HG2 H 1 2.235 0.003 . 1 . . . . A 384 GLU HG2 . 34055 1 99 . 1 1 14 14 GLU HG3 H 1 2.235 0.003 . 1 . . . . A 384 GLU HG3 . 34055 1 100 . 1 1 14 14 GLU N N 15 118.821 0.013 . 1 . . . . A 384 GLU N . 34055 1 101 . 1 1 15 15 LYS H H 1 7.599 0.002 . 1 . . . . A 385 LYS H . 34055 1 102 . 1 1 15 15 LYS HA H 1 3.892 0.003 . 1 . . . . A 385 LYS HA . 34055 1 103 . 1 1 15 15 LYS HB2 H 1 1.836 0.002 . 1 . . . . A 385 LYS HB2 . 34055 1 104 . 1 1 15 15 LYS HB3 H 1 1.836 0.002 . 1 . . . . A 385 LYS HB3 . 34055 1 105 . 1 1 15 15 LYS HG2 H 1 1.373 0.003 . 2 . . . . A 385 LYS HG2 . 34055 1 106 . 1 1 15 15 LYS HG3 H 1 1.373 0.003 . 2 . . . . A 385 LYS HG3 . 34055 1 107 . 1 1 15 15 LYS HD2 H 1 1.534 0.004 . 2 . . . . A 385 LYS HD2 . 34055 1 108 . 1 1 15 15 LYS HD3 H 1 1.612 0.003 . 2 . . . . A 385 LYS HD3 . 34055 1 109 . 1 1 15 15 LYS HE2 H 1 2.889 0.001 . 1 . . . . A 385 LYS HE2 . 34055 1 110 . 1 1 15 15 LYS HE3 H 1 2.889 0.001 . 1 . . . . A 385 LYS HE3 . 34055 1 111 . 1 1 15 15 LYS N N 15 118.205 0.014 . 1 . . . . A 385 LYS N . 34055 1 112 . 1 1 16 16 ILE H H 1 7.454 0.003 . 1 . . . . A 386 ILE H . 34055 1 113 . 1 1 16 16 ILE HA H 1 3.667 0.005 . 1 . . . . A 386 ILE HA . 34055 1 114 . 1 1 16 16 ILE HB H 1 2.009 0.005 . 1 . . . . A 386 ILE HB . 34055 1 115 . 1 1 16 16 ILE HG12 H 1 1.197 0.004 . 2 . . . . A 386 ILE HG12 . 34055 1 116 . 1 1 16 16 ILE HG13 H 1 1.587 0.007 . 2 . . . . A 386 ILE HG13 . 34055 1 117 . 1 1 16 16 ILE HG21 H 1 0.845 0.002 . 1 . . . . A 386 ILE HG21 . 34055 1 118 . 1 1 16 16 ILE HG22 H 1 0.845 0.002 . 1 . . . . A 386 ILE HG22 . 34055 1 119 . 1 1 16 16 ILE HG23 H 1 0.845 0.002 . 1 . . . . A 386 ILE HG23 . 34055 1 120 . 1 1 16 16 ILE HD11 H 1 0.772 0.003 . 1 . . . . A 386 ILE HD11 . 34055 1 121 . 1 1 16 16 ILE HD12 H 1 0.772 0.003 . 1 . . . . A 386 ILE HD12 . 34055 1 122 . 1 1 16 16 ILE HD13 H 1 0.772 0.003 . 1 . . . . A 386 ILE HD13 . 34055 1 123 . 1 1 16 16 ILE N N 15 119.845 0.026 . 1 . . . . A 386 ILE N . 34055 1 124 . 1 1 17 17 CYS H H 1 7.426 0.002 . 1 . . . . A 387 CYS H . 34055 1 125 . 1 1 17 17 CYS HA H 1 4.455 0.002 . 1 . . . . A 387 CYS HA . 34055 1 126 . 1 1 17 17 CYS HB2 H 1 2.637 0.008 . 2 . . . . A 387 CYS HB2 . 34055 1 127 . 1 1 17 17 CYS HB3 H 1 2.472 0.004 . 2 . . . . A 387 CYS HB3 . 34055 1 128 . 1 1 17 17 CYS N N 15 115.622 0.023 . 1 . . . . A 387 CYS N . 34055 1 129 . 1 1 18 18 ASN H H 1 8.648 0.002 . 1 . . . . A 388 ASN H . 34055 1 130 . 1 1 18 18 ASN HA H 1 4.464 0.006 . 1 . . . . A 388 ASN HA . 34055 1 131 . 1 1 18 18 ASN HB2 H 1 2.750 0.002 . 1 . . . . A 388 ASN HB2 . 34055 1 132 . 1 1 18 18 ASN HB3 H 1 2.750 0.002 . 1 . . . . A 388 ASN HB3 . 34055 1 133 . 1 1 18 18 ASN HD21 H 1 7.713 0.002 . 1 . . . . A 388 ASN HD21 . 34055 1 134 . 1 1 18 18 ASN HD22 H 1 7.277 0.005 . 1 . . . . A 388 ASN HD22 . 34055 1 135 . 1 1 18 18 ASN N N 15 116.581 0.016 . 1 . . . . A 388 ASN N . 34055 1 136 . 1 1 18 18 ASN ND2 N 15 110.793 0.039 . 1 . . . . A 388 ASN ND2 . 34055 1 137 . 1 1 19 19 ALA H H 1 7.550 0.002 . 1 . . . . A 389 ALA H . 34055 1 138 . 1 1 19 19 ALA HA H 1 4.087 0.005 . 1 . . . . A 389 ALA HA . 34055 1 139 . 1 1 19 19 ALA HB1 H 1 1.443 0.003 . 1 . . . . A 389 ALA HB1 . 34055 1 140 . 1 1 19 19 ALA HB2 H 1 1.443 0.003 . 1 . . . . A 389 ALA HB2 . 34055 1 141 . 1 1 19 19 ALA HB3 H 1 1.443 0.003 . 1 . . . . A 389 ALA HB3 . 34055 1 142 . 1 1 19 19 ALA N N 15 121.630 0.028 . 1 . . . . A 389 ALA N . 34055 1 143 . 1 1 20 20 ALA H H 1 7.174 0.002 . 1 . . . . A 390 ALA H . 34055 1 144 . 1 1 20 20 ALA HA H 1 4.195 0.002 . 1 . . . . A 390 ALA HA . 34055 1 145 . 1 1 20 20 ALA HB1 H 1 1.358 0.002 . 1 . . . . A 390 ALA HB1 . 34055 1 146 . 1 1 20 20 ALA HB2 H 1 1.358 0.002 . 1 . . . . A 390 ALA HB2 . 34055 1 147 . 1 1 20 20 ALA HB3 H 1 1.358 0.002 . 1 . . . . A 390 ALA HB3 . 34055 1 148 . 1 1 20 20 ALA N N 15 117.831 0.013 . 1 . . . . A 390 ALA N . 34055 1 149 . 1 1 21 21 LYS H H 1 7.943 0.002 . 1 . . . . A 391 LYS H . 34055 1 150 . 1 1 21 21 LYS HA H 1 3.855 0.002 . 1 . . . . A 391 LYS HA . 34055 1 151 . 1 1 21 21 LYS HB2 H 1 1.854 0.006 . 2 . . . . A 391 LYS HB2 . 34055 1 152 . 1 1 21 21 LYS HB3 H 1 2.010 0.005 . 2 . . . . A 391 LYS HB3 . 34055 1 153 . 1 1 21 21 LYS HG2 H 1 1.470 0.039 . 1 . . . . A 391 LYS HG2 . 34055 1 154 . 1 1 21 21 LYS HG3 H 1 1.470 0.039 . 1 . . . . A 391 LYS HG3 . 34055 1 155 . 1 1 21 21 LYS HD2 H 1 1.690 0.001 . 1 . . . . A 391 LYS HD2 . 34055 1 156 . 1 1 21 21 LYS HD3 H 1 1.690 0.001 . 1 . . . . A 391 LYS HD3 . 34055 1 157 . 1 1 21 21 LYS HE2 H 1 2.963 0.003 . 1 . . . . A 391 LYS HE2 . 34055 1 158 . 1 1 21 21 LYS HE3 H 1 2.963 0.003 . 1 . . . . A 391 LYS HE3 . 34055 1 159 . 1 1 21 21 LYS N N 15 115.779 0.025 . 1 . . . . A 391 LYS N . 34055 1 160 . 1 1 22 22 ASP H H 1 8.580 0.003 . 1 . . . . A 392 ASP H . 34055 1 161 . 1 1 22 22 ASP HA H 1 4.801 0.005 . 1 . . . . A 392 ASP HA . 34055 1 162 . 1 1 22 22 ASP HB2 H 1 3.124 0.010 . 2 . . . . A 392 ASP HB2 . 34055 1 163 . 1 1 22 22 ASP HB3 H 1 2.707 0.009 . 2 . . . . A 392 ASP HB3 . 34055 1 164 . 1 1 22 22 ASP N N 15 119.520 0.023 . 1 . . . . A 392 ASP N . 34055 1 165 . 1 1 23 23 ASN H H 1 8.076 0.002 . 1 . . . . A 393 ASN H . 34055 1 166 . 1 1 23 23 ASN HA H 1 4.542 0.005 . 1 . . . . A 393 ASN HA . 34055 1 167 . 1 1 23 23 ASN HB2 H 1 3.307 0.007 . 2 . . . . A 393 ASN HB2 . 34055 1 168 . 1 1 23 23 ASN HB3 H 1 2.646 0.009 . 2 . . . . A 393 ASN HB3 . 34055 1 169 . 1 1 23 23 ASN HD21 H 1 7.666 0.002 . 1 . . . . A 393 ASN HD21 . 34055 1 170 . 1 1 23 23 ASN HD22 H 1 6.859 0.005 . 1 . . . . A 393 ASN HD22 . 34055 1 171 . 1 1 23 23 ASN N N 15 119.355 0.034 . 1 . . . . A 393 ASN N . 34055 1 172 . 1 1 23 23 ASN ND2 N 15 112.770 0.049 . 1 . . . . A 393 ASN ND2 . 34055 1 173 . 1 1 24 24 GLN H H 1 8.158 0.001 . 1 . . . . A 394 GLN H . 34055 1 174 . 1 1 24 24 GLN HA H 1 2.769 0.006 . 1 . . . . A 394 GLN HA . 34055 1 175 . 1 1 24 24 GLN HB2 H 1 1.067 0.282 . 1 . . . . A 394 GLN HB2 . 34055 1 176 . 1 1 24 24 GLN HB3 H 1 1.067 0.282 . 1 . . . . A 394 GLN HB3 . 34055 1 177 . 1 1 24 24 GLN HG2 H 1 1.321 0.106 . 1 . . . . A 394 GLN HG2 . 34055 1 178 . 1 1 24 24 GLN HG3 H 1 1.321 0.106 . 1 . . . . A 394 GLN HG3 . 34055 1 179 . 1 1 24 24 GLN HE21 H 1 7.395 0.004 . 1 . . . . A 394 GLN HE21 . 34055 1 180 . 1 1 24 24 GLN HE22 H 1 6.591 0.002 . 1 . . . . A 394 GLN HE22 . 34055 1 181 . 1 1 24 24 GLN N N 15 127.207 0.024 . 1 . . . . A 394 GLN N . 34055 1 182 . 1 1 24 24 GLN NE2 N 15 111.017 0.036 . 1 . . . . A 394 GLN NE2 . 34055 1 183 . 1 1 25 25 LYS H H 1 8.027 0.004 . 1 . . . . A 395 LYS H . 34055 1 184 . 1 1 25 25 LYS HA H 1 3.879 0.003 . 1 . . . . A 395 LYS HA . 34055 1 185 . 1 1 25 25 LYS HB2 H 1 1.722 0.003 . 1 . . . . A 395 LYS HB2 . 34055 1 186 . 1 1 25 25 LYS HB3 H 1 1.722 0.003 . 1 . . . . A 395 LYS HB3 . 34055 1 187 . 1 1 25 25 LYS HG2 H 1 1.309 0.003 . 1 . . . . A 395 LYS HG2 . 34055 1 188 . 1 1 25 25 LYS HG3 H 1 1.309 0.003 . 1 . . . . A 395 LYS HG3 . 34055 1 189 . 1 1 25 25 LYS HD2 H 1 1.570 0.005 . 1 . . . . A 395 LYS HD2 . 34055 1 190 . 1 1 25 25 LYS HD3 H 1 1.570 0.005 . 1 . . . . A 395 LYS HD3 . 34055 1 191 . 1 1 25 25 LYS HE2 H 1 2.873 0.002 . 1 . . . . A 395 LYS HE2 . 34055 1 192 . 1 1 25 25 LYS HE3 H 1 2.873 0.002 . 1 . . . . A 395 LYS HE3 . 34055 1 193 . 1 1 25 25 LYS N N 15 120.175 0.032 . 1 . . . . A 395 LYS N . 34055 1 194 . 1 1 26 26 ALA H H 1 7.776 0.002 . 1 . . . . A 396 ALA H . 34055 1 195 . 1 1 26 26 ALA HA H 1 3.973 0.004 . 1 . . . . A 396 ALA HA . 34055 1 196 . 1 1 26 26 ALA HB1 H 1 1.358 0.002 . 1 . . . . A 396 ALA HB1 . 34055 1 197 . 1 1 26 26 ALA HB2 H 1 1.358 0.002 . 1 . . . . A 396 ALA HB2 . 34055 1 198 . 1 1 26 26 ALA HB3 H 1 1.358 0.002 . 1 . . . . A 396 ALA HB3 . 34055 1 199 . 1 1 26 26 ALA N N 15 121.562 0.027 . 1 . . . . A 396 ALA N . 34055 1 200 . 1 1 27 27 CYS H H 1 8.013 0.002 . 1 . . . . A 397 CYS H . 34055 1 201 . 1 1 27 27 CYS HA H 1 4.071 0.006 . 1 . . . . A 397 CYS HA . 34055 1 202 . 1 1 27 27 CYS HB2 H 1 3.053 0.013 . 2 . . . . A 397 CYS HB2 . 34055 1 203 . 1 1 27 27 CYS HB3 H 1 2.899 0.009 . 2 . . . . A 397 CYS HB3 . 34055 1 204 . 1 1 27 27 CYS N N 15 117.205 0.028 . 1 . . . . A 397 CYS N . 34055 1 205 . 1 1 28 28 GLU H H 1 8.520 0.002 . 1 . . . . A 398 GLU H . 34055 1 206 . 1 1 28 28 GLU HA H 1 3.938 0.003 . 1 . . . . A 398 GLU HA . 34055 1 207 . 1 1 28 28 GLU HB2 H 1 2.066 0.046 . 1 . . . . A 398 GLU HB2 . 34055 1 208 . 1 1 28 28 GLU HB3 H 1 2.066 0.046 . 1 . . . . A 398 GLU HB3 . 34055 1 209 . 1 1 28 28 GLU HG2 H 1 2.285 0.066 . 1 . . . . A 398 GLU HG2 . 34055 1 210 . 1 1 28 28 GLU HG3 H 1 2.285 0.066 . 1 . . . . A 398 GLU HG3 . 34055 1 211 . 1 1 28 28 GLU N N 15 121.652 0.023 . 1 . . . . A 398 GLU N . 34055 1 212 . 1 1 29 29 ASN H H 1 7.625 0.002 . 1 . . . . A 399 ASN H . 34055 1 213 . 1 1 29 29 ASN HA H 1 4.617 0.002 . 1 . . . . A 399 ASN HA . 34055 1 214 . 1 1 29 29 ASN HB2 H 1 2.856 0.011 . 2 . . . . A 399 ASN HB2 . 34055 1 215 . 1 1 29 29 ASN HB3 H 1 2.796 0.012 . 2 . . . . A 399 ASN HB3 . 34055 1 216 . 1 1 29 29 ASN HD21 H 1 7.476 0.003 . 1 . . . . A 399 ASN HD21 . 34055 1 217 . 1 1 29 29 ASN HD22 H 1 6.792 0.002 . 1 . . . . A 399 ASN HD22 . 34055 1 218 . 1 1 29 29 ASN N N 15 117.296 0.021 . 1 . . . . A 399 ASN N . 34055 1 219 . 1 1 29 29 ASN ND2 N 15 111.600 0.024 . 1 . . . . A 399 ASN ND2 . 34055 1 220 . 1 1 30 30 LEU H H 1 7.475 0.003 . 1 . . . . A 400 LEU H . 34055 1 221 . 1 1 30 30 LEU HA H 1 4.454 0.003 . 1 . . . . A 400 LEU HA . 34055 1 222 . 1 1 30 30 LEU HB2 H 1 1.747 0.013 . 1 . . . . A 400 LEU HB2 . 34055 1 223 . 1 1 30 30 LEU HB3 H 1 1.747 0.013 . 1 . . . . A 400 LEU HB3 . 34055 1 224 . 1 1 30 30 LEU HG H 1 1.675 0.008 . 1 . . . . A 400 LEU HG . 34055 1 225 . 1 1 30 30 LEU HD11 H 1 0.712 0.002 . 2 . . . . A 400 LEU HD11 . 34055 1 226 . 1 1 30 30 LEU HD12 H 1 0.712 0.002 . 2 . . . . A 400 LEU HD12 . 34055 1 227 . 1 1 30 30 LEU HD13 H 1 0.712 0.002 . 2 . . . . A 400 LEU HD13 . 34055 1 228 . 1 1 30 30 LEU HD21 H 1 0.900 0.004 . 2 . . . . A 400 LEU HD21 . 34055 1 229 . 1 1 30 30 LEU HD22 H 1 0.900 0.004 . 2 . . . . A 400 LEU HD22 . 34055 1 230 . 1 1 30 30 LEU HD23 H 1 0.900 0.004 . 2 . . . . A 400 LEU HD23 . 34055 1 231 . 1 1 30 30 LEU N N 15 119.374 0.032 . 1 . . . . A 400 LEU N . 34055 1 232 . 1 1 31 31 LYS H H 1 7.559 0.003 . 1 . . . . A 401 LYS H . 34055 1 233 . 1 1 31 31 LYS HA H 1 4.258 0.003 . 1 . . . . A 401 LYS HA . 34055 1 234 . 1 1 31 31 LYS HB2 H 1 1.910 0.004 . 2 . . . . A 401 LYS HB2 . 34055 1 235 . 1 1 31 31 LYS HB3 H 1 2.151 0.006 . 2 . . . . A 401 LYS HB3 . 34055 1 236 . 1 1 31 31 LYS HG2 H 1 1.465 0.003 . 1 . . . . A 401 LYS HG2 . 34055 1 237 . 1 1 31 31 LYS HG3 H 1 1.465 0.003 . 1 . . . . A 401 LYS HG3 . 34055 1 238 . 1 1 31 31 LYS HD2 H 1 1.720 0.003 . 1 . . . . A 401 LYS HD2 . 34055 1 239 . 1 1 31 31 LYS HD3 H 1 1.720 0.003 . 1 . . . . A 401 LYS HD3 . 34055 1 240 . 1 1 31 31 LYS HE2 H 1 2.981 0.003 . 1 . . . . A 401 LYS HE2 . 34055 1 241 . 1 1 31 31 LYS HE3 H 1 2.981 0.003 . 1 . . . . A 401 LYS HE3 . 34055 1 242 . 1 1 31 31 LYS N N 15 124.520 0.009 . 1 . . . . A 401 LYS N . 34055 1 243 . 1 1 32 32 GLU H H 1 9.098 0.003 . 1 . . . . A 402 GLU H . 34055 1 244 . 1 1 32 32 GLU HA H 1 4.186 0.004 . 1 . . . . A 402 GLU HA . 34055 1 245 . 1 1 32 32 GLU HB2 H 1 2.061 0.006 . 2 . . . . A 402 GLU HB2 . 34055 1 246 . 1 1 32 32 GLU HB3 H 1 1.949 0.011 . 2 . . . . A 402 GLU HB3 . 34055 1 247 . 1 1 32 32 GLU HG2 H 1 2.243 0.005 . 1 . . . . A 402 GLU HG2 . 34055 1 248 . 1 1 32 32 GLU HG3 H 1 2.243 0.005 . 1 . . . . A 402 GLU HG3 . 34055 1 249 . 1 1 32 32 GLU N N 15 118.539 0.043 . 1 . . . . A 402 GLU N . 34055 1 250 . 1 1 33 33 LYS H H 1 7.587 0.002 . 1 . . . . A 403 LYS H . 34055 1 251 . 1 1 33 33 LYS HA H 1 4.353 0.002 . 1 . . . . A 403 LYS HA . 34055 1 252 . 1 1 33 33 LYS HB2 H 1 1.924 0.005 . 2 . . . . A 403 LYS HB2 . 34055 1 253 . 1 1 33 33 LYS HB3 H 1 2.104 0.011 . 2 . . . . A 403 LYS HB3 . 34055 1 254 . 1 1 33 33 LYS HG2 H 1 1.340 0.002 . 1 . . . . A 403 LYS HG2 . 34055 1 255 . 1 1 33 33 LYS HG3 H 1 1.340 0.002 . 1 . . . . A 403 LYS HG3 . 34055 1 256 . 1 1 33 33 LYS HD2 H 1 1.522 0.020 . 1 . . . . A 403 LYS HD2 . 34055 1 257 . 1 1 33 33 LYS HD3 H 1 1.522 0.020 . 1 . . . . A 403 LYS HD3 . 34055 1 258 . 1 1 33 33 LYS HE2 H 1 2.895 0.006 . 1 . . . . A 403 LYS HE2 . 34055 1 259 . 1 1 33 33 LYS HE3 H 1 2.895 0.006 . 1 . . . . A 403 LYS HE3 . 34055 1 260 . 1 1 33 33 LYS N N 15 117.009 0.010 . 1 . . . . A 403 LYS N . 34055 1 261 . 1 1 34 34 GLY H H 1 7.740 0.002 . 1 . . . . A 404 GLY H . 34055 1 262 . 1 1 34 34 GLY HA2 H 1 3.672 0.008 . 2 . . . . A 404 GLY HA2 . 34055 1 263 . 1 1 34 34 GLY HA3 H 1 4.199 0.010 . 2 . . . . A 404 GLY HA3 . 34055 1 264 . 1 1 34 34 GLY N N 15 132.741 0.014 . 1 . . . . A 404 GLY N . 34055 1 265 . 1 1 35 35 CYS H H 1 6.835 0.003 . 1 . . . . A 405 CYS H . 34055 1 266 . 1 1 35 35 CYS HA H 1 5.303 0.003 . 1 . . . . A 405 CYS HA . 34055 1 267 . 1 1 35 35 CYS HB2 H 1 3.003 0.008 . 2 . . . . A 405 CYS HB2 . 34055 1 268 . 1 1 35 35 CYS HB3 H 1 2.159 0.008 . 2 . . . . A 405 CYS HB3 . 34055 1 269 . 1 1 35 35 CYS N N 15 116.331 0.024 . 1 . . . . A 405 CYS N . 34055 1 270 . 1 1 36 36 VAL H H 1 9.686 0.002 . 1 . . . . A 406 VAL H . 34055 1 271 . 1 1 36 36 VAL HA H 1 4.362 0.003 . 1 . . . . A 406 VAL HA . 34055 1 272 . 1 1 36 36 VAL HB H 1 1.943 0.003 . 1 . . . . A 406 VAL HB . 34055 1 273 . 1 1 36 36 VAL HG11 H 1 0.812 0.003 . 1 . . . . A 406 VAL HG11 . 34055 1 274 . 1 1 36 36 VAL HG12 H 1 0.812 0.003 . 1 . . . . A 406 VAL HG12 . 34055 1 275 . 1 1 36 36 VAL HG13 H 1 0.812 0.003 . 1 . . . . A 406 VAL HG13 . 34055 1 276 . 1 1 36 36 VAL HG21 H 1 0.812 0.003 . 1 . . . . A 406 VAL HG21 . 34055 1 277 . 1 1 36 36 VAL HG22 H 1 0.812 0.003 . 1 . . . . A 406 VAL HG22 . 34055 1 278 . 1 1 36 36 VAL HG23 H 1 0.812 0.003 . 1 . . . . A 406 VAL HG23 . 34055 1 279 . 1 1 36 36 VAL N N 15 121.433 0.019 . 1 . . . . A 406 VAL N . 34055 1 280 . 1 1 37 37 PHE H H 1 9.046 0.003 . 1 . . . . A 407 PHE H . 34055 1 281 . 1 1 37 37 PHE HA H 1 4.560 0.003 . 1 . . . . A 407 PHE HA . 34055 1 282 . 1 1 37 37 PHE HB2 H 1 2.801 0.173 . 1 . . . . A 407 PHE HB2 . 34055 1 283 . 1 1 37 37 PHE HB3 H 1 2.801 0.173 . 1 . . . . A 407 PHE HB3 . 34055 1 284 . 1 1 37 37 PHE HD1 H 1 6.772 0.004 . 1 . . . . A 407 PHE HD1 . 34055 1 285 . 1 1 37 37 PHE HD2 H 1 6.772 0.004 . 1 . . . . A 407 PHE HD2 . 34055 1 286 . 1 1 37 37 PHE HE1 H 1 7.078 0.003 . 1 . . . . A 407 PHE HE1 . 34055 1 287 . 1 1 37 37 PHE HE2 H 1 7.078 0.003 . 1 . . . . A 407 PHE HE2 . 34055 1 288 . 1 1 37 37 PHE HZ H 1 6.920 0.007 . 1 . . . . A 407 PHE HZ . 34055 1 289 . 1 1 37 37 PHE N N 15 126.436 0.025 . 1 . . . . A 407 PHE N . 34055 1 290 . 1 1 38 38 ASN H H 1 7.999 0.005 . 1 . . . . A 408 ASN H . 34055 1 291 . 1 1 38 38 ASN HA H 1 4.576 0.004 . 1 . . . . A 408 ASN HA . 34055 1 292 . 1 1 38 38 ASN HB2 H 1 2.219 0.012 . 2 . . . . A 408 ASN HB2 . 34055 1 293 . 1 1 38 38 ASN HB3 H 1 3.056 0.003 . 2 . . . . A 408 ASN HB3 . 34055 1 294 . 1 1 38 38 ASN HD21 H 1 8.080 0.002 . 1 . . . . A 408 ASN HD21 . 34055 1 295 . 1 1 38 38 ASN HD22 H 1 6.866 0.002 . 1 . . . . A 408 ASN HD22 . 34055 1 296 . 1 1 38 38 ASN N N 15 128.639 0.025 . 1 . . . . A 408 ASN N . 34055 1 297 . 1 1 38 38 ASN ND2 N 15 113.365 0.027 . 1 . . . . A 408 ASN ND2 . 34055 1 298 . 1 1 39 39 THR H H 1 8.406 0.003 . 1 . . . . A 409 THR H . 34055 1 299 . 1 1 39 39 THR HA H 1 3.935 0.002 . 1 . . . . A 409 THR HA . 34055 1 300 . 1 1 39 39 THR HB H 1 4.332 0.007 . 1 . . . . A 409 THR HB . 34055 1 301 . 1 1 39 39 THR HG21 H 1 1.356 0.002 . 1 . . . . A 409 THR HG21 . 34055 1 302 . 1 1 39 39 THR HG22 H 1 1.356 0.002 . 1 . . . . A 409 THR HG22 . 34055 1 303 . 1 1 39 39 THR HG23 H 1 1.356 0.002 . 1 . . . . A 409 THR HG23 . 34055 1 304 . 1 1 39 39 THR N N 15 116.980 0.018 . 1 . . . . A 409 THR N . 34055 1 305 . 1 1 40 40 GLU H H 1 8.325 0.002 . 1 . . . . A 410 GLU H . 34055 1 306 . 1 1 40 40 GLU HA H 1 4.109 0.003 . 1 . . . . A 410 GLU HA . 34055 1 307 . 1 1 40 40 GLU HB2 H 1 2.017 0.009 . 1 . . . . A 410 GLU HB2 . 34055 1 308 . 1 1 40 40 GLU HB3 H 1 2.017 0.009 . 1 . . . . A 410 GLU HB3 . 34055 1 309 . 1 1 40 40 GLU HG2 H 1 2.136 0.013 . 1 . . . . A 410 GLU HG2 . 34055 1 310 . 1 1 40 40 GLU HG3 H 1 2.136 0.013 . 1 . . . . A 410 GLU HG3 . 34055 1 311 . 1 1 40 40 GLU N N 15 122.025 0.061 . 1 . . . . A 410 GLU N . 34055 1 312 . 1 1 41 41 SER H H 1 7.299 0.002 . 1 . . . . A 411 SER H . 34055 1 313 . 1 1 41 41 SER HA H 1 4.232 0.003 . 1 . . . . A 411 SER HA . 34055 1 314 . 1 1 41 41 SER HB2 H 1 3.559 0.003 . 1 . . . . A 411 SER HB2 . 34055 1 315 . 1 1 41 41 SER HB3 H 1 3.559 0.003 . 1 . . . . A 411 SER HB3 . 34055 1 316 . 1 1 41 41 SER N N 15 111.643 0.019 . 1 . . . . A 411 SER N . 34055 1 317 . 1 1 42 42 ASN H H 1 7.901 0.002 . 1 . . . . A 412 ASN H . 34055 1 318 . 1 1 42 42 ASN HA H 1 3.965 0.006 . 1 . . . . A 412 ASN HA . 34055 1 319 . 1 1 42 42 ASN HB2 H 1 3.183 0.012 . 2 . . . . A 412 ASN HB2 . 34055 1 320 . 1 1 42 42 ASN HB3 H 1 2.439 0.009 . 2 . . . . A 412 ASN HB3 . 34055 1 321 . 1 1 42 42 ASN HD21 H 1 7.444 0.003 . 1 . . . . A 412 ASN HD21 . 34055 1 322 . 1 1 42 42 ASN HD22 H 1 6.890 0.003 . 1 . . . . A 412 ASN HD22 . 34055 1 323 . 1 1 42 42 ASN N N 15 121.263 0.016 . 1 . . . . A 412 ASN N . 34055 1 324 . 1 1 42 42 ASN ND2 N 15 112.025 0.022 . 1 . . . . A 412 ASN ND2 . 34055 1 325 . 1 1 43 43 LYS H H 1 6.799 0.002 . 1 . . . . A 413 LYS H . 34055 1 326 . 1 1 43 43 LYS HA H 1 4.417 0.003 . 1 . . . . A 413 LYS HA . 34055 1 327 . 1 1 43 43 LYS HB2 H 1 1.444 0.008 . 1 . . . . A 413 LYS HB2 . 34055 1 328 . 1 1 43 43 LYS HB3 H 1 1.444 0.008 . 1 . . . . A 413 LYS HB3 . 34055 1 329 . 1 1 43 43 LYS HG2 H 1 1.060 0.005 . 1 . . . . A 413 LYS HG2 . 34055 1 330 . 1 1 43 43 LYS HG3 H 1 1.060 0.005 . 1 . . . . A 413 LYS HG3 . 34055 1 331 . 1 1 43 43 LYS HD2 H 1 1.337 0.010 . 1 . . . . A 413 LYS HD2 . 34055 1 332 . 1 1 43 43 LYS HD3 H 1 1.337 0.010 . 1 . . . . A 413 LYS HD3 . 34055 1 333 . 1 1 43 43 LYS HE2 H 1 2.823 0.002 . 1 . . . . A 413 LYS HE2 . 34055 1 334 . 1 1 43 43 LYS HE3 H 1 2.823 0.002 . 1 . . . . A 413 LYS HE3 . 34055 1 335 . 1 1 43 43 LYS N N 15 113.174 0.023 . 1 . . . . A 413 LYS N . 34055 1 336 . 1 1 44 44 CYS H H 1 8.281 0.002 . 1 . . . . A 414 CYS H . 34055 1 337 . 1 1 44 44 CYS HA H 1 4.854 0.004 . 1 . . . . A 414 CYS HA . 34055 1 338 . 1 1 44 44 CYS HB2 H 1 3.437 0.003 . 2 . . . . A 414 CYS HB2 . 34055 1 339 . 1 1 44 44 CYS HB3 H 1 2.677 0.008 . 2 . . . . A 414 CYS HB3 . 34055 1 340 . 1 1 44 44 CYS N N 15 122.482 0.041 . 1 . . . . A 414 CYS N . 34055 1 341 . 1 1 45 45 GLU H H 1 9.055 0.003 . 1 . . . . A 415 GLU H . 34055 1 342 . 1 1 45 45 GLU HA H 1 4.574 0.005 . 1 . . . . A 415 GLU HA . 34055 1 343 . 1 1 45 45 GLU HB2 H 1 1.956 0.007 . 1 . . . . A 415 GLU HB2 . 34055 1 344 . 1 1 45 45 GLU HB3 H 1 1.956 0.007 . 1 . . . . A 415 GLU HB3 . 34055 1 345 . 1 1 45 45 GLU HG2 H 1 1.816 0.013 . 1 . . . . A 415 GLU HG2 . 34055 1 346 . 1 1 45 45 GLU HG3 H 1 1.816 0.013 . 1 . . . . A 415 GLU HG3 . 34055 1 347 . 1 1 45 45 GLU N N 15 126.023 0.043 . 1 . . . . A 415 GLU N . 34055 1 348 . 1 1 46 46 LEU H H 1 8.656 0.005 . 1 . . . . A 416 LEU H . 34055 1 349 . 1 1 46 46 LEU HA H 1 4.499 0.003 . 1 . . . . A 416 LEU HA . 34055 1 350 . 1 1 46 46 LEU HB2 H 1 1.657 0.038 . 1 . . . . A 416 LEU HB2 . 34055 1 351 . 1 1 46 46 LEU HB3 H 1 1.657 0.038 . 1 . . . . A 416 LEU HB3 . 34055 1 352 . 1 1 46 46 LEU HG H 1 1.011 0.005 . 1 . . . . A 416 LEU HG . 34055 1 353 . 1 1 46 46 LEU HD11 H 1 0.859 0.002 . 2 . . . . A 416 LEU HD11 . 34055 1 354 . 1 1 46 46 LEU HD12 H 1 0.859 0.002 . 2 . . . . A 416 LEU HD12 . 34055 1 355 . 1 1 46 46 LEU HD13 H 1 0.859 0.002 . 2 . . . . A 416 LEU HD13 . 34055 1 356 . 1 1 46 46 LEU HD21 H 1 0.780 0.002 . 2 . . . . A 416 LEU HD21 . 34055 1 357 . 1 1 46 46 LEU HD22 H 1 0.780 0.002 . 2 . . . . A 416 LEU HD22 . 34055 1 358 . 1 1 46 46 LEU HD23 H 1 0.780 0.002 . 2 . . . . A 416 LEU HD23 . 34055 1 359 . 1 1 46 46 LEU N N 15 122.571 0.018 . 1 . . . . A 416 LEU N . 34055 1 360 . 1 1 47 47 LYS H H 1 8.519 0.002 . 1 . . . . A 417 LYS H . 34055 1 361 . 1 1 47 47 LYS HA H 1 4.074 0.005 . 1 . . . . A 417 LYS HA . 34055 1 362 . 1 1 47 47 LYS HB2 H 1 1.668 0.016 . 2 . . . . A 417 LYS HB2 . 34055 1 363 . 1 1 47 47 LYS HB3 H 1 1.786 0.008 . 2 . . . . A 417 LYS HB3 . 34055 1 364 . 1 1 47 47 LYS HG2 H 1 1.388 0.005 . 1 . . . . A 417 LYS HG2 . 34055 1 365 . 1 1 47 47 LYS HG3 H 1 1.388 0.005 . 1 . . . . A 417 LYS HG3 . 34055 1 366 . 1 1 47 47 LYS HD2 H 1 1.591 0.003 . 1 . . . . A 417 LYS HD2 . 34055 1 367 . 1 1 47 47 LYS HD3 H 1 1.591 0.003 . 1 . . . . A 417 LYS HD3 . 34055 1 368 . 1 1 47 47 LYS N N 15 127.652 0.024 . 1 . . . . A 417 LYS N . 34055 1 369 . 1 1 48 48 LYS H H 1 8.538 0.002 . 1 . . . . A 418 LYS H . 34055 1 370 . 1 1 48 48 LYS HA H 1 4.096 0.004 . 1 . . . . A 418 LYS HA . 34055 1 371 . 1 1 48 48 LYS HB2 H 1 1.718 0.003 . 1 . . . . A 418 LYS HB2 . 34055 1 372 . 1 1 48 48 LYS HB3 H 1 1.718 0.003 . 1 . . . . A 418 LYS HB3 . 34055 1 373 . 1 1 48 48 LYS HG2 H 1 1.356 0.004 . 1 . . . . A 418 LYS HG2 . 34055 1 374 . 1 1 48 48 LYS HG3 H 1 1.356 0.004 . 1 . . . . A 418 LYS HG3 . 34055 1 375 . 1 1 48 48 LYS HD2 H 1 1.584 0.002 . 1 . . . . A 418 LYS HD2 . 34055 1 376 . 1 1 48 48 LYS HD3 H 1 1.584 0.002 . 1 . . . . A 418 LYS HD3 . 34055 1 377 . 1 1 48 48 LYS HE2 H 1 2.897 0.003 . 1 . . . . A 418 LYS HE2 . 34055 1 378 . 1 1 48 48 LYS HE3 H 1 2.897 0.003 . 1 . . . . A 418 LYS HE3 . 34055 1 379 . 1 1 48 48 LYS N N 15 125.662 0.016 . 1 . . . . A 418 LYS N . 34055 1 380 . 1 1 49 49 ASP H H 1 8.477 0.002 . 1 . . . . A 419 ASP H . 34055 1 381 . 1 1 49 49 ASP HA H 1 4.448 0.003 . 1 . . . . A 419 ASP HA . 34055 1 382 . 1 1 49 49 ASP HB2 H 1 2.598 0.007 . 2 . . . . A 419 ASP HB2 . 34055 1 383 . 1 1 49 49 ASP HB3 H 1 2.490 0.009 . 2 . . . . A 419 ASP HB3 . 34055 1 384 . 1 1 49 49 ASP N N 15 119.506 0.011 . 1 . . . . A 419 ASP N . 34055 1 385 . 1 1 50 50 VAL H H 1 7.677 0.009 . 1 . . . . A 420 VAL H . 34055 1 386 . 1 1 50 50 VAL HA H 1 3.871 0.004 . 1 . . . . A 420 VAL HA . 34055 1 387 . 1 1 50 50 VAL HB H 1 2.038 0.005 . 1 . . . . A 420 VAL HB . 34055 1 388 . 1 1 50 50 VAL HG11 H 1 0.881 0.004 . 1 . . . . A 420 VAL HG11 . 34055 1 389 . 1 1 50 50 VAL HG12 H 1 0.881 0.004 . 1 . . . . A 420 VAL HG12 . 34055 1 390 . 1 1 50 50 VAL HG13 H 1 0.881 0.004 . 1 . . . . A 420 VAL HG13 . 34055 1 391 . 1 1 50 50 VAL HG21 H 1 0.881 0.004 . 1 . . . . A 420 VAL HG21 . 34055 1 392 . 1 1 50 50 VAL HG22 H 1 0.881 0.004 . 1 . . . . A 420 VAL HG22 . 34055 1 393 . 1 1 50 50 VAL HG23 H 1 0.881 0.004 . 1 . . . . A 420 VAL HG23 . 34055 1 394 . 1 1 50 50 VAL N N 15 120.612 0.017 . 1 . . . . A 420 VAL N . 34055 1 395 . 1 1 51 51 LYS H H 1 8.161 0.005 . 1 . . . . A 421 LYS H . 34055 1 396 . 1 1 51 51 LYS HA H 1 4.004 0.005 . 1 . . . . A 421 LYS HA . 34055 1 397 . 1 1 51 51 LYS HB2 H 1 1.649 0.007 . 2 . . . . A 421 LYS HB2 . 34055 1 398 . 1 1 51 51 LYS HB3 H 1 1.791 0.004 . 2 . . . . A 421 LYS HB3 . 34055 1 399 . 1 1 51 51 LYS HG2 H 1 1.315 0.002 . 1 . . . . A 421 LYS HG2 . 34055 1 400 . 1 1 51 51 LYS HG3 H 1 1.315 0.002 . 1 . . . . A 421 LYS HG3 . 34055 1 401 . 1 1 51 51 LYS HD2 H 1 1.589 0.000 . 1 . . . . A 421 LYS HD2 . 34055 1 402 . 1 1 51 51 LYS HD3 H 1 1.589 0.000 . 1 . . . . A 421 LYS HD3 . 34055 1 403 . 1 1 51 51 LYS HE2 H 1 2.883 0.002 . 1 . . . . A 421 LYS HE2 . 34055 1 404 . 1 1 51 51 LYS HE3 H 1 2.883 0.002 . 1 . . . . A 421 LYS HE3 . 34055 1 405 . 1 1 51 51 LYS N N 15 123.071 0.019 . 1 . . . . A 421 LYS N . 34055 1 406 . 1 1 52 52 GLU H H 1 8.293 0.002 . 1 . . . . A 422 GLU H . 34055 1 407 . 1 1 52 52 GLU HA H 1 4.071 0.004 . 1 . . . . A 422 GLU HA . 34055 1 408 . 1 1 52 52 GLU HB2 H 1 1.908 0.004 . 1 . . . . A 422 GLU HB2 . 34055 1 409 . 1 1 52 52 GLU HB3 H 1 1.908 0.004 . 1 . . . . A 422 GLU HB3 . 34055 1 410 . 1 1 52 52 GLU HG2 H 1 2.163 0.007 . 2 . . . . A 422 GLU HG2 . 34055 1 411 . 1 1 52 52 GLU HG3 H 1 2.247 0.004 . 2 . . . . A 422 GLU HG3 . 34055 1 412 . 1 1 52 52 GLU N N 15 119.918 0.024 . 1 . . . . A 422 GLU N . 34055 1 413 . 1 1 53 53 LYS H H 1 7.942 0.008 . 1 . . . . A 423 LYS H . 34055 1 414 . 1 1 53 53 LYS HA H 1 4.128 0.005 . 1 . . . . A 423 LYS HA . 34055 1 415 . 1 1 53 53 LYS HB2 H 1 1.784 0.008 . 2 . . . . A 423 LYS HB2 . 34055 1 416 . 1 1 53 53 LYS HB3 H 1 1.745 0.001 . 2 . . . . A 423 LYS HB3 . 34055 1 417 . 1 1 53 53 LYS HG2 H 1 1.358 0.043 . 1 . . . . A 423 LYS HG2 . 34055 1 418 . 1 1 53 53 LYS HG3 H 1 1.358 0.043 . 1 . . . . A 423 LYS HG3 . 34055 1 419 . 1 1 53 53 LYS HD2 H 1 1.594 0.003 . 1 . . . . A 423 LYS HD2 . 34055 1 420 . 1 1 53 53 LYS HD3 H 1 1.594 0.003 . 1 . . . . A 423 LYS HD3 . 34055 1 421 . 1 1 53 53 LYS HE2 H 1 2.905 0.003 . 1 . . . . A 423 LYS HE2 . 34055 1 422 . 1 1 53 53 LYS HE3 H 1 2.905 0.003 . 1 . . . . A 423 LYS HE3 . 34055 1 423 . 1 1 53 53 LYS N N 15 121.403 0.018 . 1 . . . . A 423 LYS N . 34055 1 424 . 1 1 54 54 LEU H H 1 8.103 0.005 . 1 . . . . A 424 LEU H . 34055 1 425 . 1 1 54 54 LEU HA H 1 4.194 0.003 . 1 . . . . A 424 LEU HA . 34055 1 426 . 1 1 54 54 LEU HB2 H 1 1.637 0.004 . 1 . . . . A 424 LEU HB2 . 34055 1 427 . 1 1 54 54 LEU HB3 H 1 1.637 0.004 . 1 . . . . A 424 LEU HB3 . 34055 1 428 . 1 1 54 54 LEU HG H 1 1.480 0.010 . 1 . . . . A 424 LEU HG . 34055 1 429 . 1 1 54 54 LEU HD11 H 1 0.788 0.004 . 1 . . . . A 424 LEU HD11 . 34055 1 430 . 1 1 54 54 LEU HD12 H 1 0.788 0.004 . 1 . . . . A 424 LEU HD12 . 34055 1 431 . 1 1 54 54 LEU HD13 H 1 0.788 0.004 . 1 . . . . A 424 LEU HD13 . 34055 1 432 . 1 1 54 54 LEU HD21 H 1 0.788 0.004 . 1 . . . . A 424 LEU HD21 . 34055 1 433 . 1 1 54 54 LEU HD22 H 1 0.788 0.004 . 1 . . . . A 424 LEU HD22 . 34055 1 434 . 1 1 54 54 LEU HD23 H 1 0.788 0.004 . 1 . . . . A 424 LEU HD23 . 34055 1 435 . 1 1 54 54 LEU N N 15 121.959 0.061 . 1 . . . . A 424 LEU N . 34055 1 436 . 1 1 55 55 GLU H H 1 8.252 0.003 . 1 . . . . A 425 GLU H . 34055 1 437 . 1 1 55 55 GLU HA H 1 4.143 0.005 . 1 . . . . A 425 GLU HA . 34055 1 438 . 1 1 55 55 GLU HB2 H 1 1.923 0.001 . 1 . . . . A 425 GLU HB2 . 34055 1 439 . 1 1 55 55 GLU HB3 H 1 1.923 0.001 . 1 . . . . A 425 GLU HB3 . 34055 1 440 . 1 1 55 55 GLU HG2 H 1 2.165 0.001 . 1 . . . . A 425 GLU HG2 . 34055 1 441 . 1 1 55 55 GLU HG3 H 1 2.165 0.001 . 1 . . . . A 425 GLU HG3 . 34055 1 442 . 1 1 55 55 GLU N N 15 120.976 0.012 . 1 . . . . A 425 GLU N . 34055 1 443 . 1 1 56 56 LYS H H 1 8.093 0.005 . 1 . . . . A 426 LYS H . 34055 1 444 . 1 1 56 56 LYS HA H 1 4.154 0.001 . 1 . . . . A 426 LYS HA . 34055 1 445 . 1 1 56 56 LYS HB2 H 1 1.764 0.005 . 1 . . . . A 426 LYS HB2 . 34055 1 446 . 1 1 56 56 LYS HB3 H 1 1.764 0.005 . 1 . . . . A 426 LYS HB3 . 34055 1 447 . 1 1 56 56 LYS HG2 H 1 1.398 0.010 . 1 . . . . A 426 LYS HG2 . 34055 1 448 . 1 1 56 56 LYS HG3 H 1 1.398 0.010 . 1 . . . . A 426 LYS HG3 . 34055 1 449 . 1 1 56 56 LYS HD2 H 1 1.609 0.002 . 1 . . . . A 426 LYS HD2 . 34055 1 450 . 1 1 56 56 LYS HD3 H 1 1.609 0.002 . 1 . . . . A 426 LYS HD3 . 34055 1 451 . 1 1 56 56 LYS HE2 H 1 2.911 0.001 . 1 . . . . A 426 LYS HE2 . 34055 1 452 . 1 1 56 56 LYS HE3 H 1 2.911 0.001 . 1 . . . . A 426 LYS HE3 . 34055 1 453 . 1 1 56 56 LYS N N 15 121.213 0.039 . 1 . . . . A 426 LYS N . 34055 1 454 . 1 1 57 57 GLU H H 1 8.259 0.006 . 1 . . . . A 427 GLU H . 34055 1 455 . 1 1 57 57 GLU HA H 1 4.178 0.011 . 1 . . . . A 427 GLU HA . 34055 1 456 . 1 1 57 57 GLU HB2 H 1 1.929 0.010 . 1 . . . . A 427 GLU HB2 . 34055 1 457 . 1 1 57 57 GLU HB3 H 1 1.929 0.010 . 1 . . . . A 427 GLU HB3 . 34055 1 458 . 1 1 57 57 GLU HG2 H 1 2.255 0.008 . 1 . . . . A 427 GLU HG2 . 34055 1 459 . 1 1 57 57 GLU HG3 H 1 2.255 0.008 . 1 . . . . A 427 GLU HG3 . 34055 1 460 . 1 1 57 57 GLU N N 15 120.841 0.015 . 1 . . . . A 427 GLU N . 34055 1 461 . 1 1 58 58 SER H H 1 8.187 0.005 . 1 . . . . A 428 SER H . 34055 1 462 . 1 1 58 58 SER HA H 1 4.351 0.004 . 1 . . . . A 428 SER HA . 34055 1 463 . 1 1 58 58 SER HB2 H 1 3.822 0.003 . 1 . . . . A 428 SER HB2 . 34055 1 464 . 1 1 58 58 SER HB3 H 1 3.822 0.003 . 1 . . . . A 428 SER HB3 . 34055 1 465 . 1 1 58 58 SER N N 15 116.427 0.024 . 1 . . . . A 428 SER N . 34055 1 466 . 1 1 59 59 LYS H H 1 8.184 0.005 . 1 . . . . A 429 LYS H . 34055 1 467 . 1 1 59 59 LYS HA H 1 4.262 0.002 . 1 . . . . A 429 LYS HA . 34055 1 468 . 1 1 59 59 LYS HB2 H 1 1.708 0.002 . 2 . . . . A 429 LYS HB2 . 34055 1 469 . 1 1 59 59 LYS HB3 H 1 1.794 0.002 . 2 . . . . A 429 LYS HB3 . 34055 1 470 . 1 1 59 59 LYS HG2 H 1 1.371 0.004 . 1 . . . . A 429 LYS HG2 . 34055 1 471 . 1 1 59 59 LYS HG3 H 1 1.371 0.004 . 1 . . . . A 429 LYS HG3 . 34055 1 472 . 1 1 59 59 LYS HD2 H 1 1.594 0.001 . 1 . . . . A 429 LYS HD2 . 34055 1 473 . 1 1 59 59 LYS HD3 H 1 1.594 0.001 . 1 . . . . A 429 LYS HD3 . 34055 1 474 . 1 1 59 59 LYS HE2 H 1 2.901 0.002 . 1 . . . . A 429 LYS HE2 . 34055 1 475 . 1 1 59 59 LYS HE3 H 1 2.901 0.002 . 1 . . . . A 429 LYS HE3 . 34055 1 476 . 1 1 59 59 LYS N N 15 122.721 0.014 . 1 . . . . A 429 LYS N . 34055 1 477 . 1 1 60 60 GLU H H 1 8.310 0.003 . 1 . . . . A 430 GLU H . 34055 1 478 . 1 1 60 60 GLU HA H 1 4.237 0.002 . 1 . . . . A 430 GLU HA . 34055 1 479 . 1 1 60 60 GLU HB2 H 1 1.937 0.042 . 1 . . . . A 430 GLU HB2 . 34055 1 480 . 1 1 60 60 GLU HB3 H 1 1.937 0.042 . 1 . . . . A 430 GLU HB3 . 34055 1 481 . 1 1 60 60 GLU HG2 H 1 2.222 0.011 . 1 . . . . A 430 GLU HG2 . 34055 1 482 . 1 1 60 60 GLU HG3 H 1 2.222 0.011 . 1 . . . . A 430 GLU HG3 . 34055 1 483 . 1 1 60 60 GLU N N 15 121.168 0.033 . 1 . . . . A 430 GLU N . 34055 1 484 . 1 1 61 61 THR H H 1 8.050 0.003 . 1 . . . . A 431 THR H . 34055 1 485 . 1 1 61 61 THR HA H 1 4.234 0.002 . 1 . . . . A 431 THR HA . 34055 1 486 . 1 1 61 61 THR HB H 1 4.171 0.003 . 1 . . . . A 431 THR HB . 34055 1 487 . 1 1 61 61 THR HG21 H 1 1.119 0.002 . 1 . . . . A 431 THR HG21 . 34055 1 488 . 1 1 61 61 THR HG22 H 1 1.119 0.002 . 1 . . . . A 431 THR HG22 . 34055 1 489 . 1 1 61 61 THR HG23 H 1 1.119 0.002 . 1 . . . . A 431 THR HG23 . 34055 1 490 . 1 1 61 61 THR N N 15 113.914 0.035 . 1 . . . . A 431 THR N . 34055 1 491 . 1 1 62 62 GLU H H 1 8.267 0.004 . 1 . . . . A 432 GLU H . 34055 1 492 . 1 1 62 62 GLU HA H 1 4.219 0.003 . 1 . . . . A 432 GLU HA . 34055 1 493 . 1 1 62 62 GLU HB2 H 1 1.940 0.037 . 1 . . . . A 432 GLU HB2 . 34055 1 494 . 1 1 62 62 GLU HB3 H 1 1.940 0.037 . 1 . . . . A 432 GLU HB3 . 34055 1 495 . 1 1 62 62 GLU HG2 H 1 2.194 0.003 . 1 . . . . A 432 GLU HG2 . 34055 1 496 . 1 1 62 62 GLU HG3 H 1 2.194 0.003 . 1 . . . . A 432 GLU HG3 . 34055 1 497 . 1 1 62 62 GLU N N 15 123.128 0.010 . 1 . . . . A 432 GLU N . 34055 1 498 . 1 1 63 63 GLY H H 1 8.421 0.005 . 1 . . . . A 433 GLY H . 34055 1 499 . 1 1 63 63 GLY HA2 H 1 3.870 0.006 . 1 . . . . A 433 GLY HA2 . 34055 1 500 . 1 1 63 63 GLY HA3 H 1 3.870 0.006 . 1 . . . . A 433 GLY HA3 . 34055 1 501 . 1 1 63 63 GLY N N 15 110.049 0.015 . 1 . . . . A 433 GLY N . 34055 1 502 . 1 1 64 64 LYS H H 1 8.069 0.003 . 1 . . . . A 434 LYS H . 34055 1 503 . 1 1 64 64 LYS HA H 1 4.234 0.004 . 1 . . . . A 434 LYS HA . 34055 1 504 . 1 1 64 64 LYS HB2 H 1 1.713 0.033 . 1 . . . . A 434 LYS HB2 . 34055 1 505 . 1 1 64 64 LYS HB3 H 1 1.713 0.033 . 1 . . . . A 434 LYS HB3 . 34055 1 506 . 1 1 64 64 LYS HG2 H 1 1.301 0.005 . 1 . . . . A 434 LYS HG2 . 34055 1 507 . 1 1 64 64 LYS HG3 H 1 1.301 0.005 . 1 . . . . A 434 LYS HG3 . 34055 1 508 . 1 1 64 64 LYS HD2 H 1 1.575 0.000 . 1 . . . . A 434 LYS HD2 . 34055 1 509 . 1 1 64 64 LYS HD3 H 1 1.575 0.000 . 1 . . . . A 434 LYS HD3 . 34055 1 510 . 1 1 64 64 LYS HE2 H 1 2.899 0.001 . 1 . . . . A 434 LYS HE2 . 34055 1 511 . 1 1 64 64 LYS HE3 H 1 2.899 0.001 . 1 . . . . A 434 LYS HE3 . 34055 1 512 . 1 1 64 64 LYS N N 15 120.476 0.011 . 1 . . . . A 434 LYS N . 34055 1 513 . 1 1 65 65 ASP H H 1 8.339 0.004 . 1 . . . . A 435 ASP H . 34055 1 514 . 1 1 65 65 ASP HA H 1 4.514 0.003 . 1 . . . . A 435 ASP HA . 34055 1 515 . 1 1 65 65 ASP HB2 H 1 2.638 0.008 . 2 . . . . A 435 ASP HB2 . 34055 1 516 . 1 1 65 65 ASP HB3 H 1 2.516 0.007 . 2 . . . . A 435 ASP HB3 . 34055 1 517 . 1 1 65 65 ASP N N 15 121.225 0.030 . 1 . . . . A 435 ASP N . 34055 1 518 . 1 1 66 66 GLU H H 1 8.330 0.004 . 1 . . . . A 436 GLU H . 34055 1 519 . 1 1 66 66 GLU HA H 1 4.164 0.001 . 1 . . . . A 436 GLU HA . 34055 1 520 . 1 1 66 66 GLU HB2 H 1 1.857 0.005 . 1 . . . . A 436 GLU HB2 . 34055 1 521 . 1 1 66 66 GLU HB3 H 1 1.857 0.005 . 1 . . . . A 436 GLU HB3 . 34055 1 522 . 1 1 66 66 GLU HG2 H 1 2.183 0.010 . 1 . . . . A 436 GLU HG2 . 34055 1 523 . 1 1 66 66 GLU HG3 H 1 2.183 0.010 . 1 . . . . A 436 GLU HG3 . 34055 1 524 . 1 1 66 66 GLU N N 15 121.882 0.020 . 1 . . . . A 436 GLU N . 34055 1 525 . 1 1 67 67 LYS H H 1 8.246 0.002 . 1 . . . . A 437 LYS H . 34055 1 526 . 1 1 67 67 LYS HA H 1 4.188 0.002 . 1 . . . . A 437 LYS HA . 34055 1 527 . 1 1 67 67 LYS HB2 H 1 1.703 0.001 . 2 . . . . A 437 LYS HB2 . 34055 1 528 . 1 1 67 67 LYS HB3 H 1 1.759 0.003 . 2 . . . . A 437 LYS HB3 . 34055 1 529 . 1 1 67 67 LYS HG2 H 1 1.343 0.008 . 1 . . . . A 437 LYS HG2 . 34055 1 530 . 1 1 67 67 LYS HG3 H 1 1.343 0.008 . 1 . . . . A 437 LYS HG3 . 34055 1 531 . 1 1 67 67 LYS HD2 H 1 1.596 0.006 . 1 . . . . A 437 LYS HD2 . 34055 1 532 . 1 1 67 67 LYS HD3 H 1 1.596 0.006 . 1 . . . . A 437 LYS HD3 . 34055 1 533 . 1 1 67 67 LYS HE2 H 1 2.914 0.002 . 1 . . . . A 437 LYS HE2 . 34055 1 534 . 1 1 67 67 LYS HE3 H 1 2.914 0.002 . 1 . . . . A 437 LYS HE3 . 34055 1 535 . 1 1 67 67 LYS N N 15 121.401 0.057 . 1 . . . . A 437 LYS N . 34055 1 536 . 1 1 68 68 ALA H H 1 8.098 0.003 . 1 . . . . A 438 ALA H . 34055 1 537 . 1 1 68 68 ALA HA H 1 4.198 0.003 . 1 . . . . A 438 ALA HA . 34055 1 538 . 1 1 68 68 ALA HB1 H 1 1.301 0.007 . 1 . . . . A 438 ALA HB1 . 34055 1 539 . 1 1 68 68 ALA HB2 H 1 1.301 0.007 . 1 . . . . A 438 ALA HB2 . 34055 1 540 . 1 1 68 68 ALA HB3 H 1 1.301 0.007 . 1 . . . . A 438 ALA HB3 . 34055 1 541 . 1 1 68 68 ALA N N 15 124.164 0.018 . 1 . . . . A 438 ALA N . 34055 1 542 . 1 1 69 69 ASN H H 1 8.320 0.003 . 1 . . . . A 439 ASN H . 34055 1 543 . 1 1 69 69 ASN HA H 1 4.687 0.008 . 1 . . . . A 439 ASN HA . 34055 1 544 . 1 1 69 69 ASN HB2 H 1 2.753 0.046 . 1 . . . . A 439 ASN HB2 . 34055 1 545 . 1 1 69 69 ASN HB3 H 1 2.753 0.046 . 1 . . . . A 439 ASN HB3 . 34055 1 546 . 1 1 69 69 ASN HD21 H 1 7.538 0.003 . 1 . . . . A 439 ASN HD21 . 34055 1 547 . 1 1 69 69 ASN HD22 H 1 6.846 0.003 . 1 . . . . A 439 ASN HD22 . 34055 1 548 . 1 1 69 69 ASN N N 15 117.728 0.025 . 1 . . . . A 439 ASN N . 34055 1 549 . 1 1 69 69 ASN ND2 N 15 112.683 0.034 . 1 . . . . A 439 ASN ND2 . 34055 1 550 . 1 1 70 70 THR H H 1 8.101 0.003 . 1 . . . . A 440 THR H . 34055 1 551 . 1 1 70 70 THR HA H 1 4.358 0.005 . 1 . . . . A 440 THR HA . 34055 1 552 . 1 1 70 70 THR HB H 1 4.235 0.004 . 1 . . . . A 440 THR HB . 34055 1 553 . 1 1 70 70 THR HG21 H 1 1.114 0.002 . 1 . . . . A 440 THR HG21 . 34055 1 554 . 1 1 70 70 THR HG22 H 1 1.114 0.002 . 1 . . . . A 440 THR HG22 . 34055 1 555 . 1 1 70 70 THR HG23 H 1 1.114 0.002 . 1 . . . . A 440 THR HG23 . 34055 1 556 . 1 1 70 70 THR N N 15 113.891 0.012 . 1 . . . . A 440 THR N . 34055 1 557 . 1 1 71 71 THR H H 1 8.134 0.002 . 1 . . . . A 441 THR H . 34055 1 558 . 1 1 71 71 THR HA H 1 4.300 0.003 . 1 . . . . A 441 THR HA . 34055 1 559 . 1 1 71 71 THR HB H 1 4.192 0.004 . 1 . . . . A 441 THR HB . 34055 1 560 . 1 1 71 71 THR HG21 H 1 1.140 0.003 . 1 . . . . A 441 THR HG21 . 34055 1 561 . 1 1 71 71 THR HG22 H 1 1.140 0.003 . 1 . . . . A 441 THR HG22 . 34055 1 562 . 1 1 71 71 THR HG23 H 1 1.140 0.003 . 1 . . . . A 441 THR HG23 . 34055 1 563 . 1 1 71 71 THR N N 15 115.499 0.016 . 1 . . . . A 441 THR N . 34055 1 564 . 1 1 72 72 GLY H H 1 8.347 0.004 . 1 . . . . A 442 GLY H . 34055 1 565 . 1 1 72 72 GLY HA2 H 1 3.927 0.005 . 1 . . . . A 442 GLY HA2 . 34055 1 566 . 1 1 72 72 GLY HA3 H 1 3.927 0.005 . 1 . . . . A 442 GLY HA3 . 34055 1 567 . 1 1 72 72 GLY N N 15 111.772 0.000 . 1 . . . . A 442 GLY N . 34055 1 568 . 1 1 73 73 SER H H 1 7.834 0.003 . 1 . . . . A 443 SER H . 34055 1 569 . 1 1 73 73 SER HA H 1 4.213 0.002 . 1 . . . . A 443 SER HA . 34055 1 570 . 1 1 73 73 SER HB2 H 1 3.757 0.001 . 1 . . . . A 443 SER HB2 . 34055 1 571 . 1 1 73 73 SER HB3 H 1 3.757 0.001 . 1 . . . . A 443 SER HB3 . 34055 1 572 . 1 1 73 73 SER N N 15 121.149 0.019 . 1 . . . . A 443 SER N . 34055 1 stop_ save_