data_15524 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15524 _Entry.Title ; 1H and 15N Resonance assignments for the human RLIP76 Ral binding domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-10-15 _Entry.Accession_date 2007-10-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Robert Fenwick . B. . 15524 2 Sunil Prasannan . . . 15524 3 Louise Campbell . J. . 15524 4 Katrina Evetts . A. . 15524 5 Daniel Nietlispach . . . 15524 6 Darerca Owen . . . 15524 7 Helen Mott . R. . 15524 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15524 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 60 15524 '1H chemical shifts' 419 15524 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 3 . . 2009-08-12 2007-10-15 update BMRB 'added PubMed ID' 15524 2 . . 2008-12-03 2007-10-15 update BMRB 'complete entry citation' 15524 1 . . 2008-10-14 2007-10-15 original author 'original release' 15524 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15525 'Ral binding domain of RLIP76 in complex with RalB' 15524 PDB 2KWH 'BMRB Entry Tracking System' 15524 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15524 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636902 _Citation.Full_citation . _Citation.Title 'Resonance assignments for the RLIP76 Ral binding domain in its free form and in complex with the small G protein RalB' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 2 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 191 _Citation.Page_last 194 _Citation.Year 2008 _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.Entry_ID _Citation_author.Citation_ID 1 'R Bryn' Fenwick . . . 15524 1 2 Sunil Prasannan . . . 15524 1 3 Louise Campbell . J. . 15524 1 4 Katrina Evetts . A. . 15524 1 5 Daniel Nietlispach . . . 15524 1 6 Darerca Owen . . . 15524 1 7 Helen Mott . R. . 15524 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15524 _Assembly.ID 1 _Assembly.Name RLIP76 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Ral binding domain of RLIP76' _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 RLIP76 1 $RLIP76 A . yes native no no . . . 15524 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RLIP76 _Entity.Sf_category entity _Entity.Sf_framecode RLIP76 _Entity.Entry_ID 15524 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RLIP76 _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 ; GSETQAGIKEEIRRQEFLLN SLHRDLQGGIKDLSKEERLW EVQRILTALKRKLREA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first two residues are a tag remnant. The protein starts at E393 and ends at A446' _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 56 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'RLIP76 Ral binding domain' _Entity.Mutation 'This protein contains the mutation C411S' _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15525 . RLIP76 . . . . . 100.00 56 100.00 100.00 5.68e-29 . . . . 15524 1 2 no PDB 2KWH . "Ral Binding Domain Of Rlip76 (Ralbp1)" . . . . . 100.00 56 100.00 100.00 5.68e-29 . . . . 15524 1 3 no PDB 2KWI . "Ralb-Rlip76 (Ralbp1) Complex" . . . . . 100.00 56 100.00 100.00 5.68e-29 . . . . 15524 1 4 no GB AAI45321 . "Ralbp1 protein [Mus musculus]" . . . . . 75.00 594 97.62 97.62 3.07e-17 . . . . 15524 1 5 no REF XP_004656898 . "PREDICTED: ralA-binding protein 1 isoform X2 [Jaculus jaculus]" . . . . . 75.00 601 97.62 97.62 3.21e-17 . . . . 15524 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 1 391 GLY . 15524 1 2 392 SER . 15524 1 3 393 GLU . 15524 1 4 394 THR . 15524 1 5 395 GLN . 15524 1 6 396 ALA . 15524 1 7 397 GLY . 15524 1 8 398 ILE . 15524 1 9 399 LYS . 15524 1 10 400 GLU . 15524 1 11 401 GLU . 15524 1 12 402 ILE . 15524 1 13 403 ARG . 15524 1 14 404 ARG . 15524 1 15 405 GLN . 15524 1 16 406 GLU . 15524 1 17 407 PHE . 15524 1 18 408 LEU . 15524 1 19 409 LEU . 15524 1 20 410 ASN . 15524 1 21 411 SER . 15524 1 22 412 LEU . 15524 1 23 413 HIS . 15524 1 24 414 ARG . 15524 1 25 415 ASP . 15524 1 26 416 LEU . 15524 1 27 417 GLN . 15524 1 28 418 GLY . 15524 1 29 419 GLY . 15524 1 30 420 ILE . 15524 1 31 421 LYS . 15524 1 32 422 ASP . 15524 1 33 423 LEU . 15524 1 34 424 SER . 15524 1 35 425 LYS . 15524 1 36 426 GLU . 15524 1 37 427 GLU . 15524 1 38 428 ARG . 15524 1 39 429 LEU . 15524 1 40 430 TRP . 15524 1 41 431 GLU . 15524 1 42 432 VAL . 15524 1 43 433 GLN . 15524 1 44 434 ARG . 15524 1 45 435 ILE . 15524 1 46 436 LEU . 15524 1 47 437 THR . 15524 1 48 438 ALA . 15524 1 49 439 LEU . 15524 1 50 440 LYS . 15524 1 51 441 ARG . 15524 1 52 442 LYS . 15524 1 53 443 LEU . 15524 1 54 444 ARG . 15524 1 55 445 GLU . 15524 1 56 446 ALA . 15524 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 15524 1 . SER 2 2 15524 1 . GLU 3 3 15524 1 . THR 4 4 15524 1 . GLN 5 5 15524 1 . ALA 6 6 15524 1 . GLY 7 7 15524 1 . ILE 8 8 15524 1 . LYS 9 9 15524 1 . GLU 10 10 15524 1 . GLU 11 11 15524 1 . ILE 12 12 15524 1 . ARG 13 13 15524 1 . ARG 14 14 15524 1 . GLN 15 15 15524 1 . GLU 16 16 15524 1 . PHE 17 17 15524 1 . LEU 18 18 15524 1 . LEU 19 19 15524 1 . ASN 20 20 15524 1 . SER 21 21 15524 1 . LEU 22 22 15524 1 . HIS 23 23 15524 1 . ARG 24 24 15524 1 . ASP 25 25 15524 1 . LEU 26 26 15524 1 . GLN 27 27 15524 1 . GLY 28 28 15524 1 . GLY 29 29 15524 1 . ILE 30 30 15524 1 . LYS 31 31 15524 1 . ASP 32 32 15524 1 . LEU 33 33 15524 1 . SER 34 34 15524 1 . LYS 35 35 15524 1 . GLU 36 36 15524 1 . GLU 37 37 15524 1 . ARG 38 38 15524 1 . LEU 39 39 15524 1 . TRP 40 40 15524 1 . GLU 41 41 15524 1 . VAL 42 42 15524 1 . GLN 43 43 15524 1 . ARG 44 44 15524 1 . ILE 45 45 15524 1 . LEU 46 46 15524 1 . THR 47 47 15524 1 . ALA 48 48 15524 1 . LEU 49 49 15524 1 . LYS 50 50 15524 1 . ARG 51 51 15524 1 . LYS 52 52 15524 1 . LEU 53 53 15524 1 . ARG 54 54 15524 1 . GLU 55 55 15524 1 . ALA 56 56 15524 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 15524 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RLIP76 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15524 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 15524 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RLIP76 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-2T . . . . . . 15524 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15524 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 RLIP76 '[U-98% 15N]' . . 1 $RLIP76 . . 0.8 . . mM . . . . 15524 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15524 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15524 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15524 1 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 15524 1 6 beta-mercaptoethanol 'natural abundance' . . . . . . 10 . . mM . . . . 15524 1 7 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 15524 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15524 _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 6.3 . pH 15524 1 pressure 1 . atm 15524 1 temperature 298 . K 15524 1 stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 15524 _Software.ID 1 _Software.Name AZARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Boucher . . 15524 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15524 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 15524 _Software.ID 2 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Vranken, Boucher, Stevens, Fogh, Pajon, Llinas, Ulrich, Markley, Ionides and Laue' . . 15524 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15524 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_DRX502 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode DRX502 _NMR_spectrometer.Entry_ID 15524 _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_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15524 _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 DRX502 Bruker DRX . 500 . . . 15524 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 15524 _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 $DRX502 . . . . . . . . . . . . . . . . 15524 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $DRX502 . . . . . . . . . . . . . . . . 15524 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $DRX502 . . . . . . . . . . . . . . . . 15524 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $DRX502 . . . . . . . . . . . . . . . . 15524 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $DRX502 . . . . . . . . . . . . . . . . 15524 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $DRX502 . . . . . . . . . . . . . . . . 15524 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 15524 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15524 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15524 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 15524 _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' . . . 15524 1 2 '2D 1H-1H TOCSY' . . . 15524 1 3 '2D DQF-COSY' . . . 15524 1 4 '2D 1H-1H NOESY' . . . 15524 1 5 '3D 1H-15N NOESY' . . . 15524 1 6 '3D 1H-15N TOCSY' . . . 15524 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $Analysis . . 15524 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLU H H 1 8.824 0.005 . 1 . . . . 393 GLU H . 15524 1 2 . 1 1 3 3 GLU HA H 1 4.349 0.012 . 1 . . . . 393 GLU HA . 15524 1 3 . 1 1 3 3 GLU HB2 H 1 1.931 0.009 . 2 . . . . 393 GLU HB2 . 15524 1 4 . 1 1 3 3 GLU HB3 H 1 2.047 0.006 . 2 . . . . 393 GLU HB3 . 15524 1 5 . 1 1 3 3 GLU HG2 H 1 2.239 0.008 . 1 . . . . 393 GLU HG2 . 15524 1 6 . 1 1 3 3 GLU HG3 H 1 2.239 0.008 . 1 . . . . 393 GLU HG3 . 15524 1 7 . 1 1 3 3 GLU N N 15 122.764 0.005 . 1 . . . . 393 GLU N . 15524 1 8 . 1 1 4 4 THR H H 1 8.147 0.002 . 1 . . . . 394 THR H . 15524 1 9 . 1 1 4 4 THR HA H 1 4.347 0.013 . 1 . . . . 394 THR HA . 15524 1 10 . 1 1 4 4 THR HB H 1 4.347 0.014 . 1 . . . . 394 THR HB . 15524 1 11 . 1 1 4 4 THR HG21 H 1 1.211 0.005 . 1 . . . . 394 THR HG21 . 15524 1 12 . 1 1 4 4 THR HG22 H 1 1.211 0.005 . 1 . . . . 394 THR HG22 . 15524 1 13 . 1 1 4 4 THR HG23 H 1 1.211 0.005 . 1 . . . . 394 THR HG23 . 15524 1 14 . 1 1 4 4 THR N N 15 113.957 0.037 . 1 . . . . 394 THR N . 15524 1 15 . 1 1 5 5 GLN H H 1 8.569 0.003 . 1 . . . . 395 GLN H . 15524 1 16 . 1 1 5 5 GLN HA H 1 3.981 0.013 . 1 . . . . 395 GLN HA . 15524 1 17 . 1 1 5 5 GLN HB2 H 1 2.042 0.008 . 1 . . . . 395 GLN HB2 . 15524 1 18 . 1 1 5 5 GLN HB3 H 1 2.042 0.008 . 1 . . . . 395 GLN HB3 . 15524 1 19 . 1 1 5 5 GLN HE21 H 1 6.896 0.009 . 1 . . . . 395 GLN HE21 . 15524 1 20 . 1 1 5 5 GLN HE22 H 1 7.633 0.002 . 1 . . . . 395 GLN HE22 . 15524 1 21 . 1 1 5 5 GLN HG2 H 1 2.305 0.006 . 2 . . . . 395 GLN HG2 . 15524 1 22 . 1 1 5 5 GLN HG3 H 1 2.380 0.014 . 2 . . . . 395 GLN HG3 . 15524 1 23 . 1 1 5 5 GLN N N 15 120.934 0.009 . 1 . . . . 395 GLN N . 15524 1 24 . 1 1 5 5 GLN NE2 N 15 112.495 0.032 . 1 . . . . 395 GLN NE2 . 15524 1 25 . 1 1 6 6 ALA H H 1 8.248 0.002 . 1 . . . . 396 ALA H . 15524 1 26 . 1 1 6 6 ALA HA H 1 3.999 0.015 . 1 . . . . 396 ALA HA . 15524 1 27 . 1 1 6 6 ALA HB1 H 1 1.380 0.003 . 1 . . . . 396 ALA HB1 . 15524 1 28 . 1 1 6 6 ALA HB2 H 1 1.380 0.003 . 1 . . . . 396 ALA HB2 . 15524 1 29 . 1 1 6 6 ALA HB3 H 1 1.380 0.003 . 1 . . . . 396 ALA HB3 . 15524 1 30 . 1 1 6 6 ALA N N 15 121.276 0.019 . 1 . . . . 396 ALA N . 15524 1 31 . 1 1 7 7 GLY H H 1 8.237 0.002 . 1 . . . . 397 GLY H . 15524 1 32 . 1 1 7 7 GLY HA2 H 1 3.848 0.015 . 2 . . . . 397 GLY HA2 . 15524 1 33 . 1 1 7 7 GLY HA3 H 1 3.961 0.008 . 2 . . . . 397 GLY HA3 . 15524 1 34 . 1 1 7 7 GLY N N 15 107.218 0.014 . 1 . . . . 397 GLY N . 15524 1 35 . 1 1 8 8 ILE H H 1 8.022 0.003 . 1 . . . . 398 ILE H . 15524 1 36 . 1 1 8 8 ILE HA H 1 3.804 0.015 . 1 . . . . 398 ILE HA . 15524 1 37 . 1 1 8 8 ILE HB H 1 1.814 0.008 . 1 . . . . 398 ILE HB . 15524 1 38 . 1 1 8 8 ILE HD11 H 1 0.720 0.012 . 1 . . . . 398 ILE HD11 . 15524 1 39 . 1 1 8 8 ILE HD12 H 1 0.720 0.012 . 1 . . . . 398 ILE HD12 . 15524 1 40 . 1 1 8 8 ILE HD13 H 1 0.720 0.012 . 1 . . . . 398 ILE HD13 . 15524 1 41 . 1 1 8 8 ILE HG12 H 1 0.987 0.012 . 1 . . . . 398 ILE HG12 . 15524 1 42 . 1 1 8 8 ILE HG13 H 1 0.987 0.012 . 1 . . . . 398 ILE HG13 . 15524 1 43 . 1 1 8 8 ILE HG21 H 1 0.854 0.004 . 1 . . . . 398 ILE HG21 . 15524 1 44 . 1 1 8 8 ILE HG22 H 1 0.854 0.004 . 1 . . . . 398 ILE HG22 . 15524 1 45 . 1 1 8 8 ILE HG23 H 1 0.854 0.004 . 1 . . . . 398 ILE HG23 . 15524 1 46 . 1 1 8 8 ILE N N 15 123.534 0.013 . 1 . . . . 398 ILE N . 15524 1 47 . 1 1 9 9 LYS H H 1 8.233 0.002 . 1 . . . . 399 LYS H . 15524 1 48 . 1 1 9 9 LYS HA H 1 3.832 0.018 . 1 . . . . 399 LYS HA . 15524 1 49 . 1 1 9 9 LYS HB2 H 1 1.827 0.006 . 2 . . . . 399 LYS HB2 . 15524 1 50 . 1 1 9 9 LYS HB3 H 1 1.859 0.002 . 2 . . . . 399 LYS HB3 . 15524 1 51 . 1 1 9 9 LYS HD2 H 1 1.608 0.002 . 2 . . . . 399 LYS HD2 . 15524 1 52 . 1 1 9 9 LYS HD3 H 1 1.608 0.002 . 2 . . . . 399 LYS HD3 . 15524 1 53 . 1 1 9 9 LYS HE2 H 1 2.755 0.007 . 1 . . . . 399 LYS HE2 . 15524 1 54 . 1 1 9 9 LYS HE3 H 1 2.755 0.007 . 1 . . . . 399 LYS HE3 . 15524 1 55 . 1 1 9 9 LYS HG2 H 1 1.362 0.012 . 1 . . . . 399 LYS HG2 . 15524 1 56 . 1 1 9 9 LYS HG3 H 1 1.362 0.012 . 1 . . . . 399 LYS HG3 . 15524 1 57 . 1 1 9 9 LYS N N 15 118.975 0.018 . 1 . . . . 399 LYS N . 15524 1 58 . 1 1 10 10 GLU H H 1 7.941 0.005 . 1 . . . . 400 GLU H . 15524 1 59 . 1 1 10 10 GLU HA H 1 4.113 0.013 . 1 . . . . 400 GLU HA . 15524 1 60 . 1 1 10 10 GLU HB2 H 1 2.108 0.009 . 1 . . . . 400 GLU HB2 . 15524 1 61 . 1 1 10 10 GLU HB3 H 1 2.108 0.009 . 1 . . . . 400 GLU HB3 . 15524 1 62 . 1 1 10 10 GLU HG2 H 1 2.288 0.007 . 1 . . . . 400 GLU HG2 . 15524 1 63 . 1 1 10 10 GLU HG3 H 1 2.288 0.007 . 1 . . . . 400 GLU HG3 . 15524 1 64 . 1 1 10 10 GLU N N 15 119.633 0.030 . 1 . . . . 400 GLU N . 15524 1 65 . 1 1 11 11 GLU H H 1 7.861 0.005 . 1 . . . . 401 GLU H . 15524 1 66 . 1 1 11 11 GLU HA H 1 4.125 0.008 . 1 . . . . 401 GLU HA . 15524 1 67 . 1 1 11 11 GLU HB2 H 1 2.093 0.013 . 1 . . . . 401 GLU HB2 . 15524 1 68 . 1 1 11 11 GLU HB3 H 1 2.093 0.013 . 1 . . . . 401 GLU HB3 . 15524 1 69 . 1 1 11 11 GLU HG2 H 1 2.278 0.005 . 1 . . . . 401 GLU HG2 . 15524 1 70 . 1 1 11 11 GLU HG3 H 1 2.278 0.005 . 1 . . . . 401 GLU HG3 . 15524 1 71 . 1 1 11 11 GLU N N 15 121.681 0.024 . 1 . . . . 401 GLU N . 15524 1 72 . 1 1 12 12 ILE H H 1 8.631 0.005 . 1 . . . . 402 ILE H . 15524 1 73 . 1 1 12 12 ILE HA H 1 3.385 0.005 . 1 . . . . 402 ILE HA . 15524 1 74 . 1 1 12 12 ILE HB H 1 1.871 0.009 . 1 . . . . 402 ILE HB . 15524 1 75 . 1 1 12 12 ILE HD11 H 1 0.737 0.013 . 1 . . . . 402 ILE HD11 . 15524 1 76 . 1 1 12 12 ILE HD12 H 1 0.737 0.013 . 1 . . . . 402 ILE HD12 . 15524 1 77 . 1 1 12 12 ILE HD13 H 1 0.737 0.013 . 1 . . . . 402 ILE HD13 . 15524 1 78 . 1 1 12 12 ILE HG12 H 1 0.748 0.006 . 2 . . . . 402 ILE HG12 . 15524 1 79 . 1 1 12 12 ILE HG13 H 1 0.759 0.012 . 2 . . . . 402 ILE HG13 . 15524 1 80 . 1 1 12 12 ILE HG21 H 1 0.760 0.012 . 1 . . . . 402 ILE HG21 . 15524 1 81 . 1 1 12 12 ILE HG22 H 1 0.760 0.012 . 1 . . . . 402 ILE HG22 . 15524 1 82 . 1 1 12 12 ILE HG23 H 1 0.760 0.012 . 1 . . . . 402 ILE HG23 . 15524 1 83 . 1 1 12 12 ILE N N 15 120.368 0.012 . 1 . . . . 402 ILE N . 15524 1 84 . 1 1 13 13 ARG H H 1 7.691 0.003 . 1 . . . . 403 ARG H . 15524 1 85 . 1 1 13 13 ARG HA H 1 4.035 0.009 . 1 . . . . 403 ARG HA . 15524 1 86 . 1 1 13 13 ARG HB2 H 1 1.887 0.011 . 2 . . . . 403 ARG HB2 . 15524 1 87 . 1 1 13 13 ARG HB3 H 1 1.892 0.004 . 2 . . . . 403 ARG HB3 . 15524 1 88 . 1 1 13 13 ARG HD2 H 1 3.172 0.009 . 1 . . . . 403 ARG HD2 . 15524 1 89 . 1 1 13 13 ARG HD3 H 1 3.172 0.009 . 1 . . . . 403 ARG HD3 . 15524 1 90 . 1 1 13 13 ARG HG2 H 1 1.716 0.004 . 1 . . . . 403 ARG HG2 . 15524 1 91 . 1 1 13 13 ARG HG3 H 1 1.716 0.004 . 1 . . . . 403 ARG HG3 . 15524 1 92 . 1 1 13 13 ARG N N 15 118.769 0.038 . 1 . . . . 403 ARG N . 15524 1 93 . 1 1 14 14 ARG H H 1 7.910 0.006 . 1 . . . . 404 ARG H . 15524 1 94 . 1 1 14 14 ARG HA H 1 4.029 0.005 . 1 . . . . 404 ARG HA . 15524 1 95 . 1 1 14 14 ARG HB2 H 1 1.969 0.012 . 1 . . . . 404 ARG HB2 . 15524 1 96 . 1 1 14 14 ARG HB3 H 1 1.969 0.012 . 1 . . . . 404 ARG HB3 . 15524 1 97 . 1 1 14 14 ARG HD2 H 1 3.169 0.007 . 2 . . . . 404 ARG HD2 . 15524 1 98 . 1 1 14 14 ARG HD3 H 1 3.172 0.008 . 2 . . . . 404 ARG HD3 . 15524 1 99 . 1 1 14 14 ARG HG2 H 1 1.516 0.007 . 2 . . . . 404 ARG HG2 . 15524 1 100 . 1 1 14 14 ARG HG3 H 1 1.772 0.014 . 2 . . . . 404 ARG HG3 . 15524 1 101 . 1 1 14 14 ARG N N 15 119.106 0.034 . 1 . . . . 404 ARG N . 15524 1 102 . 1 1 15 15 GLN H H 1 8.454 0.002 . 1 . . . . 405 GLN H . 15524 1 103 . 1 1 15 15 GLN HA H 1 4.180 0.006 . 1 . . . . 405 GLN HA . 15524 1 104 . 1 1 15 15 GLN HB2 H 1 1.964 0.009 . 1 . . . . 405 GLN HB2 . 15524 1 105 . 1 1 15 15 GLN HB3 H 1 1.964 0.009 . 1 . . . . 405 GLN HB3 . 15524 1 106 . 1 1 15 15 GLN HE21 H 1 6.153 0.003 . 1 . . . . 405 GLN HE21 . 15524 1 107 . 1 1 15 15 GLN HE22 H 1 7.299 0.002 . 1 . . . . 405 GLN HE22 . 15524 1 108 . 1 1 15 15 GLN HG2 H 1 2.160 0.008 . 2 . . . . 405 GLN HG2 . 15524 1 109 . 1 1 15 15 GLN HG3 H 1 2.630 0.004 . 2 . . . . 405 GLN HG3 . 15524 1 110 . 1 1 15 15 GLN N N 15 118.934 0.020 . 1 . . . . 405 GLN N . 15524 1 111 . 1 1 15 15 GLN NE2 N 15 108.307 0.030 . 1 . . . . 405 GLN NE2 . 15524 1 112 . 1 1 16 16 GLU H H 1 9.021 0.003 . 1 . . . . 406 GLU H . 15524 1 113 . 1 1 16 16 GLU HA H 1 3.860 0.010 . 1 . . . . 406 GLU HA . 15524 1 114 . 1 1 16 16 GLU HB2 H 1 2.114 0.002 . 2 . . . . 406 GLU HB2 . 15524 1 115 . 1 1 16 16 GLU HB3 H 1 2.162 0.002 . 2 . . . . 406 GLU HB3 . 15524 1 116 . 1 1 16 16 GLU HG2 H 1 1.889 0.006 . 2 . . . . 406 GLU HG2 . 15524 1 117 . 1 1 16 16 GLU HG3 H 1 2.498 0.012 . 2 . . . . 406 GLU HG3 . 15524 1 118 . 1 1 16 16 GLU N N 15 119.911 0.016 . 1 . . . . 406 GLU N . 15524 1 119 . 1 1 17 17 PHE H H 1 7.948 0.003 . 1 . . . . 407 PHE H . 15524 1 120 . 1 1 17 17 PHE HA H 1 4.265 0.007 . 1 . . . . 407 PHE HA . 15524 1 121 . 1 1 17 17 PHE HB2 H 1 3.230 0.006 . 1 . . . . 407 PHE HB2 . 15524 1 122 . 1 1 17 17 PHE HB3 H 1 3.230 0.006 . 1 . . . . 407 PHE HB3 . 15524 1 123 . 1 1 17 17 PHE HD1 H 1 7.246 0.003 . 3 . . . . 407 PHE HD1 . 15524 1 124 . 1 1 17 17 PHE HD2 H 1 7.246 0.003 . 3 . . . . 407 PHE HD2 . 15524 1 125 . 1 1 17 17 PHE HE1 H 1 7.292 0.001 . 3 . . . . 407 PHE HE1 . 15524 1 126 . 1 1 17 17 PHE HE2 H 1 7.292 0.001 . 3 . . . . 407 PHE HE2 . 15524 1 127 . 1 1 17 17 PHE N N 15 120.038 0.028 . 1 . . . . 407 PHE N . 15524 1 128 . 1 1 18 18 LEU H H 1 7.750 0.004 . 1 . . . . 408 LEU H . 15524 1 129 . 1 1 18 18 LEU HA H 1 4.023 0.006 . 1 . . . . 408 LEU HA . 15524 1 130 . 1 1 18 18 LEU HB2 H 1 1.778 0.022 . 1 . . . . 408 LEU HB2 . 15524 1 131 . 1 1 18 18 LEU HB3 H 1 1.778 0.022 . 1 . . . . 408 LEU HB3 . 15524 1 132 . 1 1 18 18 LEU HD11 H 1 0.898 0.008 . 1 . . . . 408 LEU HD11 . 15524 1 133 . 1 1 18 18 LEU HD12 H 1 0.898 0.008 . 1 . . . . 408 LEU HD12 . 15524 1 134 . 1 1 18 18 LEU HD13 H 1 0.898 0.008 . 1 . . . . 408 LEU HD13 . 15524 1 135 . 1 1 18 18 LEU HD21 H 1 0.898 0.008 . 1 . . . . 408 LEU HD21 . 15524 1 136 . 1 1 18 18 LEU HD22 H 1 0.898 0.008 . 1 . . . . 408 LEU HD22 . 15524 1 137 . 1 1 18 18 LEU HD23 H 1 0.898 0.008 . 1 . . . . 408 LEU HD23 . 15524 1 138 . 1 1 18 18 LEU HG H 1 1.656 0.000 . 1 . . . . 408 LEU HG . 15524 1 139 . 1 1 18 18 LEU N N 15 122.068 0.034 . 1 . . . . 408 LEU N . 15524 1 140 . 1 1 19 19 LEU H H 1 8.699 0.003 . 1 . . . . 409 LEU H . 15524 1 141 . 1 1 19 19 LEU HA H 1 3.751 0.004 . 1 . . . . 409 LEU HA . 15524 1 142 . 1 1 19 19 LEU HB2 H 1 1.854 0.011 . 1 . . . . 409 LEU HB2 . 15524 1 143 . 1 1 19 19 LEU HB3 H 1 1.854 0.011 . 1 . . . . 409 LEU HB3 . 15524 1 144 . 1 1 19 19 LEU HD11 H 1 0.805 0.016 . 2 . . . . 409 LEU HD11 . 15524 1 145 . 1 1 19 19 LEU HD12 H 1 0.805 0.016 . 2 . . . . 409 LEU HD12 . 15524 1 146 . 1 1 19 19 LEU HD13 H 1 0.805 0.016 . 2 . . . . 409 LEU HD13 . 15524 1 147 . 1 1 19 19 LEU HD21 H 1 0.814 0.016 . 2 . . . . 409 LEU HD21 . 15524 1 148 . 1 1 19 19 LEU HD22 H 1 0.814 0.016 . 2 . . . . 409 LEU HD22 . 15524 1 149 . 1 1 19 19 LEU HD23 H 1 0.814 0.016 . 2 . . . . 409 LEU HD23 . 15524 1 150 . 1 1 19 19 LEU HG H 1 1.604 0.010 . 1 . . . . 409 LEU HG . 15524 1 151 . 1 1 19 19 LEU N N 15 120.885 0.026 . 1 . . . . 409 LEU N . 15524 1 152 . 1 1 20 20 ASN H H 1 8.123 0.006 . 1 . . . . 410 ASN H . 15524 1 153 . 1 1 20 20 ASN HA H 1 4.365 0.003 . 1 . . . . 410 ASN HA . 15524 1 154 . 1 1 20 20 ASN HB2 H 1 2.664 0.006 . 2 . . . . 410 ASN HB2 . 15524 1 155 . 1 1 20 20 ASN HB3 H 1 2.735 0.013 . 2 . . . . 410 ASN HB3 . 15524 1 156 . 1 1 20 20 ASN HD21 H 1 6.907 0.002 . 1 . . . . 410 ASN HD21 . 15524 1 157 . 1 1 20 20 ASN HD22 H 1 7.509 0.001 . 1 . . . . 410 ASN HD22 . 15524 1 158 . 1 1 20 20 ASN N N 15 115.585 0.014 . 1 . . . . 410 ASN N . 15524 1 159 . 1 1 20 20 ASN ND2 N 15 112.729 0.031 . 1 . . . . 410 ASN ND2 . 15524 1 160 . 1 1 21 21 SER H H 1 7.870 0.003 . 1 . . . . 411 SER H . 15524 1 161 . 1 1 21 21 SER HA H 1 4.009 0.013 . 1 . . . . 411 SER HA . 15524 1 162 . 1 1 21 21 SER HB2 H 1 3.808 0.012 . 1 . . . . 411 SER HB2 . 15524 1 163 . 1 1 21 21 SER HB3 H 1 3.808 0.012 . 1 . . . . 411 SER HB3 . 15524 1 164 . 1 1 21 21 SER N N 15 116.443 0.018 . 1 . . . . 411 SER N . 15524 1 165 . 1 1 22 22 LEU H H 1 8.185 0.008 . 1 . . . . 412 LEU H . 15524 1 166 . 1 1 22 22 LEU HA H 1 4.056 0.012 . 1 . . . . 412 LEU HA . 15524 1 167 . 1 1 22 22 LEU HB2 H 1 1.871 0.008 . 1 . . . . 412 LEU HB2 . 15524 1 168 . 1 1 22 22 LEU HB3 H 1 1.871 0.008 . 1 . . . . 412 LEU HB3 . 15524 1 169 . 1 1 22 22 LEU HD11 H 1 0.825 0.007 . 2 . . . . 412 LEU HD11 . 15524 1 170 . 1 1 22 22 LEU HD12 H 1 0.825 0.007 . 2 . . . . 412 LEU HD12 . 15524 1 171 . 1 1 22 22 LEU HD13 H 1 0.825 0.007 . 2 . . . . 412 LEU HD13 . 15524 1 172 . 1 1 22 22 LEU HD21 H 1 0.826 0.009 . 2 . . . . 412 LEU HD21 . 15524 1 173 . 1 1 22 22 LEU HD22 H 1 0.826 0.009 . 2 . . . . 412 LEU HD22 . 15524 1 174 . 1 1 22 22 LEU HD23 H 1 0.826 0.009 . 2 . . . . 412 LEU HD23 . 15524 1 175 . 1 1 22 22 LEU HG H 1 1.158 0.002 . 1 . . . . 412 LEU HG . 15524 1 176 . 1 1 22 22 LEU N N 15 122.739 0.016 . 1 . . . . 412 LEU N . 15524 1 177 . 1 1 23 23 HIS H H 1 8.324 0.003 . 1 . . . . 413 HIS H . 15524 1 178 . 1 1 23 23 HIS HA H 1 4.166 0.013 . 1 . . . . 413 HIS HA . 15524 1 179 . 1 1 23 23 HIS HB2 H 1 3.114 0.015 . 2 . . . . 413 HIS HB2 . 15524 1 180 . 1 1 23 23 HIS HB3 H 1 3.158 0.012 . 2 . . . . 413 HIS HB3 . 15524 1 181 . 1 1 23 23 HIS HD2 H 1 6.972 0.001 . 1 . . . . 413 HIS HD2 . 15524 1 182 . 1 1 23 23 HIS HE1 H 1 8.003 0.001 . 1 . . . . 413 HIS HE1 . 15524 1 183 . 1 1 23 23 HIS N N 15 116.576 0.017 . 1 . . . . 413 HIS N . 15524 1 184 . 1 1 24 24 ARG H H 1 7.840 0.004 . 1 . . . . 414 ARG H . 15524 1 185 . 1 1 24 24 ARG HA H 1 3.985 0.006 . 1 . . . . 414 ARG HA . 15524 1 186 . 1 1 24 24 ARG HB2 H 1 1.888 0.006 . 1 . . . . 414 ARG HB2 . 15524 1 187 . 1 1 24 24 ARG HB3 H 1 1.888 0.006 . 1 . . . . 414 ARG HB3 . 15524 1 188 . 1 1 24 24 ARG HD2 H 1 3.138 0.011 . 1 . . . . 414 ARG HD2 . 15524 1 189 . 1 1 24 24 ARG HD3 H 1 3.138 0.011 . 1 . . . . 414 ARG HD3 . 15524 1 190 . 1 1 24 24 ARG HG2 H 1 1.538 0.004 . 2 . . . . 414 ARG HG2 . 15524 1 191 . 1 1 24 24 ARG HG3 H 1 1.731 0.014 . 2 . . . . 414 ARG HG3 . 15524 1 192 . 1 1 24 24 ARG N N 15 118.970 0.025 . 1 . . . . 414 ARG N . 15524 1 193 . 1 1 25 25 ASP H H 1 7.918 0.003 . 1 . . . . 415 ASP H . 15524 1 194 . 1 1 25 25 ASP HA H 1 4.402 0.007 . 1 . . . . 415 ASP HA . 15524 1 195 . 1 1 25 25 ASP HB2 H 1 2.588 0.009 . 2 . . . . 415 ASP HB2 . 15524 1 196 . 1 1 25 25 ASP HB3 H 1 2.771 0.007 . 2 . . . . 415 ASP HB3 . 15524 1 197 . 1 1 25 25 ASP N N 15 119.723 0.016 . 1 . . . . 415 ASP N . 15524 1 198 . 1 1 26 26 LEU H H 1 7.757 0.006 . 1 . . . . 416 LEU H . 15524 1 199 . 1 1 26 26 LEU HA H 1 4.248 0.001 . 1 . . . . 416 LEU HA . 15524 1 200 . 1 1 26 26 LEU HB2 H 1 1.689 0.011 . 2 . . . . 416 LEU HB2 . 15524 1 201 . 1 1 26 26 LEU HB3 H 1 1.689 0.011 . 2 . . . . 416 LEU HB3 . 15524 1 202 . 1 1 26 26 LEU HD11 H 1 0.736 0.006 . 2 . . . . 416 LEU HD11 . 15524 1 203 . 1 1 26 26 LEU HD12 H 1 0.736 0.006 . 2 . . . . 416 LEU HD12 . 15524 1 204 . 1 1 26 26 LEU HD13 H 1 0.736 0.006 . 2 . . . . 416 LEU HD13 . 15524 1 205 . 1 1 26 26 LEU HD21 H 1 0.844 0.008 . 2 . . . . 416 LEU HD21 . 15524 1 206 . 1 1 26 26 LEU HD22 H 1 0.844 0.008 . 2 . . . . 416 LEU HD22 . 15524 1 207 . 1 1 26 26 LEU HD23 H 1 0.844 0.008 . 2 . . . . 416 LEU HD23 . 15524 1 208 . 1 1 26 26 LEU HG H 1 1.609 0.013 . 1 . . . . 416 LEU HG . 15524 1 209 . 1 1 26 26 LEU N N 15 119.383 0.038 . 1 . . . . 416 LEU N . 15524 1 210 . 1 1 27 27 GLN H H 1 7.791 0.003 . 1 . . . . 417 GLN H . 15524 1 211 . 1 1 27 27 GLN HA H 1 4.140 0.002 . 1 . . . . 417 GLN HA . 15524 1 212 . 1 1 27 27 GLN HB2 H 1 2.048 0.008 . 1 . . . . 417 GLN HB2 . 15524 1 213 . 1 1 27 27 GLN HB3 H 1 2.048 0.008 . 1 . . . . 417 GLN HB3 . 15524 1 214 . 1 1 27 27 GLN HE21 H 1 6.742 0.002 . 1 . . . . 417 GLN HE21 . 15524 1 215 . 1 1 27 27 GLN HE22 H 1 7.348 0.002 . 1 . . . . 417 GLN HE22 . 15524 1 216 . 1 1 27 27 GLN HG2 H 1 2.355 0.004 . 1 . . . . 417 GLN HG2 . 15524 1 217 . 1 1 27 27 GLN HG3 H 1 2.355 0.004 . 1 . . . . 417 GLN HG3 . 15524 1 218 . 1 1 27 27 GLN N N 15 119.287 0.026 . 1 . . . . 417 GLN N . 15524 1 219 . 1 1 27 27 GLN NE2 N 15 111.774 0.015 . 1 . . . . 417 GLN NE2 . 15524 1 220 . 1 1 28 28 GLY H H 1 8.192 0.004 . 1 . . . . 418 GLY H . 15524 1 221 . 1 1 28 28 GLY HA2 H 1 3.924 0.009 . 1 . . . . 418 GLY HA2 . 15524 1 222 . 1 1 28 28 GLY HA3 H 1 3.924 0.009 . 1 . . . . 418 GLY HA3 . 15524 1 223 . 1 1 28 28 GLY N N 15 107.967 0.024 . 1 . . . . 418 GLY N . 15524 1 224 . 1 1 29 29 GLY H H 1 7.971 0.006 . 1 . . . . 419 GLY H . 15524 1 225 . 1 1 29 29 GLY HA2 H 1 3.849 0.005 . 2 . . . . 419 GLY HA2 . 15524 1 226 . 1 1 29 29 GLY HA3 H 1 3.959 0.006 . 2 . . . . 419 GLY HA3 . 15524 1 227 . 1 1 29 29 GLY N N 15 107.460 0.010 . 1 . . . . 419 GLY N . 15524 1 228 . 1 1 30 30 ILE H H 1 7.630 0.004 . 1 . . . . 420 ILE H . 15524 1 229 . 1 1 30 30 ILE HA H 1 4.017 0.009 . 1 . . . . 420 ILE HA . 15524 1 230 . 1 1 30 30 ILE HB H 1 1.787 0.006 . 1 . . . . 420 ILE HB . 15524 1 231 . 1 1 30 30 ILE HD11 H 1 0.783 0.003 . 1 . . . . 420 ILE HD11 . 15524 1 232 . 1 1 30 30 ILE HD12 H 1 0.783 0.003 . 1 . . . . 420 ILE HD12 . 15524 1 233 . 1 1 30 30 ILE HD13 H 1 0.783 0.003 . 1 . . . . 420 ILE HD13 . 15524 1 234 . 1 1 30 30 ILE HG12 H 1 1.132 0.009 . 2 . . . . 420 ILE HG12 . 15524 1 235 . 1 1 30 30 ILE HG13 H 1 1.392 0.012 . 2 . . . . 420 ILE HG13 . 15524 1 236 . 1 1 30 30 ILE HG21 H 1 0.824 0.006 . 1 . . . . 420 ILE HG21 . 15524 1 237 . 1 1 30 30 ILE HG22 H 1 0.824 0.006 . 1 . . . . 420 ILE HG22 . 15524 1 238 . 1 1 30 30 ILE HG23 H 1 0.824 0.006 . 1 . . . . 420 ILE HG23 . 15524 1 239 . 1 1 30 30 ILE N N 15 119.888 0.010 . 1 . . . . 420 ILE N . 15524 1 240 . 1 1 31 31 LYS H H 1 8.389 0.004 . 1 . . . . 421 LYS H . 15524 1 241 . 1 1 31 31 LYS HA H 1 4.252 0.006 . 1 . . . . 421 LYS HA . 15524 1 242 . 1 1 31 31 LYS HB2 H 1 1.695 0.009 . 1 . . . . 421 LYS HB2 . 15524 1 243 . 1 1 31 31 LYS HB3 H 1 1.695 0.009 . 1 . . . . 421 LYS HB3 . 15524 1 244 . 1 1 31 31 LYS HD2 H 1 1.615 0.000 . 1 . . . . 421 LYS HD2 . 15524 1 245 . 1 1 31 31 LYS HD3 H 1 1.615 0.000 . 1 . . . . 421 LYS HD3 . 15524 1 246 . 1 1 31 31 LYS HE2 H 1 2.910 0.008 . 1 . . . . 421 LYS HE2 . 15524 1 247 . 1 1 31 31 LYS HE3 H 1 2.910 0.008 . 1 . . . . 421 LYS HE3 . 15524 1 248 . 1 1 31 31 LYS HG2 H 1 1.341 0.014 . 1 . . . . 421 LYS HG2 . 15524 1 249 . 1 1 31 31 LYS HG3 H 1 1.341 0.014 . 1 . . . . 421 LYS HG3 . 15524 1 250 . 1 1 31 31 LYS N N 15 126.491 0.025 . 1 . . . . 421 LYS N . 15524 1 251 . 1 1 32 32 ASP H H 1 8.188 0.003 . 1 . . . . 422 ASP H . 15524 1 252 . 1 1 32 32 ASP HA H 1 4.590 0.009 . 1 . . . . 422 ASP HA . 15524 1 253 . 1 1 32 32 ASP HB2 H 1 2.468 0.014 . 2 . . . . 422 ASP HB2 . 15524 1 254 . 1 1 32 32 ASP HB3 H 1 2.670 0.013 . 2 . . . . 422 ASP HB3 . 15524 1 255 . 1 1 32 32 ASP N N 15 123.796 0.022 . 1 . . . . 422 ASP N . 15524 1 256 . 1 1 33 33 LEU H H 1 8.629 0.002 . 1 . . . . 423 LEU H . 15524 1 257 . 1 1 33 33 LEU HA H 1 4.053 0.005 . 1 . . . . 423 LEU HA . 15524 1 258 . 1 1 33 33 LEU HB2 H 1 1.630 0.008 . 1 . . . . 423 LEU HB2 . 15524 1 259 . 1 1 33 33 LEU HB3 H 1 1.630 0.008 . 1 . . . . 423 LEU HB3 . 15524 1 260 . 1 1 33 33 LEU HD11 H 1 0.844 0.013 . 1 . . . . 423 LEU HD11 . 15524 1 261 . 1 1 33 33 LEU HD12 H 1 0.844 0.013 . 1 . . . . 423 LEU HD12 . 15524 1 262 . 1 1 33 33 LEU HD13 H 1 0.844 0.013 . 1 . . . . 423 LEU HD13 . 15524 1 263 . 1 1 33 33 LEU HD21 H 1 0.844 0.013 . 1 . . . . 423 LEU HD21 . 15524 1 264 . 1 1 33 33 LEU HD22 H 1 0.844 0.013 . 1 . . . . 423 LEU HD22 . 15524 1 265 . 1 1 33 33 LEU HD23 H 1 0.844 0.013 . 1 . . . . 423 LEU HD23 . 15524 1 266 . 1 1 33 33 LEU N N 15 125.811 0.029 . 1 . . . . 423 LEU N . 15524 1 267 . 1 1 34 34 SER H H 1 8.294 0.003 . 1 . . . . 424 SER H . 15524 1 268 . 1 1 34 34 SER HA H 1 4.249 0.003 . 1 . . . . 424 SER HA . 15524 1 269 . 1 1 34 34 SER HB2 H 1 3.904 0.004 . 1 . . . . 424 SER HB2 . 15524 1 270 . 1 1 34 34 SER HB3 H 1 3.904 0.004 . 1 . . . . 424 SER HB3 . 15524 1 271 . 1 1 34 34 SER N N 15 114.762 0.035 . 1 . . . . 424 SER N . 15524 1 272 . 1 1 35 35 LYS H H 1 7.741 0.007 . 1 . . . . 425 LYS H . 15524 1 273 . 1 1 35 35 LYS HA H 1 3.961 0.015 . 1 . . . . 425 LYS HA . 15524 1 274 . 1 1 35 35 LYS HB2 H 1 1.670 0.009 . 2 . . . . 425 LYS HB2 . 15524 1 275 . 1 1 35 35 LYS HB3 H 1 1.826 0.003 . 2 . . . . 425 LYS HB3 . 15524 1 276 . 1 1 35 35 LYS HD2 H 1 1.445 0.012 . 1 . . . . 425 LYS HD2 . 15524 1 277 . 1 1 35 35 LYS HD3 H 1 1.445 0.012 . 1 . . . . 425 LYS HD3 . 15524 1 278 . 1 1 35 35 LYS HE2 H 1 2.885 0.000 . 1 . . . . 425 LYS HE2 . 15524 1 279 . 1 1 35 35 LYS HE3 H 1 2.885 0.000 . 1 . . . . 425 LYS HE3 . 15524 1 280 . 1 1 35 35 LYS HG2 H 1 1.249 0.007 . 1 . . . . 425 LYS HG2 . 15524 1 281 . 1 1 35 35 LYS HG3 H 1 1.249 0.007 . 1 . . . . 425 LYS HG3 . 15524 1 282 . 1 1 35 35 LYS N N 15 122.658 0.029 . 1 . . . . 425 LYS N . 15524 1 283 . 1 1 36 36 GLU H H 1 7.983 0.002 . 1 . . . . 426 GLU H . 15524 1 284 . 1 1 36 36 GLU HA H 1 3.705 0.008 . 1 . . . . 426 GLU HA . 15524 1 285 . 1 1 36 36 GLU HB2 H 1 1.952 0.006 . 1 . . . . 426 GLU HB2 . 15524 1 286 . 1 1 36 36 GLU HB3 H 1 1.952 0.006 . 1 . . . . 426 GLU HB3 . 15524 1 287 . 1 1 36 36 GLU HG2 H 1 2.224 0.006 . 1 . . . . 426 GLU HG2 . 15524 1 288 . 1 1 36 36 GLU HG3 H 1 2.224 0.006 . 1 . . . . 426 GLU HG3 . 15524 1 289 . 1 1 36 36 GLU N N 15 119.578 0.022 . 1 . . . . 426 GLU N . 15524 1 290 . 1 1 37 37 GLU H H 1 7.984 0.002 . 1 . . . . 427 GLU H . 15524 1 291 . 1 1 37 37 GLU HA H 1 3.931 0.007 . 1 . . . . 427 GLU HA . 15524 1 292 . 1 1 37 37 GLU HB2 H 1 2.030 0.011 . 1 . . . . 427 GLU HB2 . 15524 1 293 . 1 1 37 37 GLU HB3 H 1 2.030 0.011 . 1 . . . . 427 GLU HB3 . 15524 1 294 . 1 1 37 37 GLU HG2 H 1 2.221 0.005 . 2 . . . . 427 GLU HG2 . 15524 1 295 . 1 1 37 37 GLU HG3 H 1 2.367 0.008 . 2 . . . . 427 GLU HG3 . 15524 1 296 . 1 1 37 37 GLU N N 15 117.929 0.010 . 1 . . . . 427 GLU N . 15524 1 297 . 1 1 38 38 ARG H H 1 7.675 0.004 . 1 . . . . 428 ARG H . 15524 1 298 . 1 1 38 38 ARG HA H 1 4.073 0.015 . 1 . . . . 428 ARG HA . 15524 1 299 . 1 1 38 38 ARG HB2 H 1 1.888 0.003 . 1 . . . . 428 ARG HB2 . 15524 1 300 . 1 1 38 38 ARG HB3 H 1 1.888 0.003 . 1 . . . . 428 ARG HB3 . 15524 1 301 . 1 1 38 38 ARG HD2 H 1 3.105 0.000 . 1 . . . . 428 ARG HD2 . 15524 1 302 . 1 1 38 38 ARG HD3 H 1 3.105 0.000 . 1 . . . . 428 ARG HD3 . 15524 1 303 . 1 1 38 38 ARG HG2 H 1 1.703 0.009 . 1 . . . . 428 ARG HG2 . 15524 1 304 . 1 1 38 38 ARG HG3 H 1 1.703 0.009 . 1 . . . . 428 ARG HG3 . 15524 1 305 . 1 1 38 38 ARG N N 15 119.484 0.024 . 1 . . . . 428 ARG N . 15524 1 306 . 1 1 39 39 LEU H H 1 7.987 0.005 . 1 . . . . 429 LEU H . 15524 1 307 . 1 1 39 39 LEU HA H 1 3.766 0.007 . 1 . . . . 429 LEU HA . 15524 1 308 . 1 1 39 39 LEU HB2 H 1 1.717 0.008 . 1 . . . . 429 LEU HB2 . 15524 1 309 . 1 1 39 39 LEU HB3 H 1 1.717 0.008 . 1 . . . . 429 LEU HB3 . 15524 1 310 . 1 1 39 39 LEU HD11 H 1 0.604 0.008 . 1 . . . . 429 LEU HD11 . 15524 1 311 . 1 1 39 39 LEU HD12 H 1 0.604 0.008 . 1 . . . . 429 LEU HD12 . 15524 1 312 . 1 1 39 39 LEU HD13 H 1 0.604 0.008 . 1 . . . . 429 LEU HD13 . 15524 1 313 . 1 1 39 39 LEU HD21 H 1 0.604 0.008 . 1 . . . . 429 LEU HD21 . 15524 1 314 . 1 1 39 39 LEU HD22 H 1 0.604 0.008 . 1 . . . . 429 LEU HD22 . 15524 1 315 . 1 1 39 39 LEU HD23 H 1 0.604 0.008 . 1 . . . . 429 LEU HD23 . 15524 1 316 . 1 1 39 39 LEU HG H 1 1.438 0.015 . 1 . . . . 429 LEU HG . 15524 1 317 . 1 1 39 39 LEU N N 15 120.547 0.024 . 1 . . . . 429 LEU N . 15524 1 318 . 1 1 40 40 TRP H H 1 7.813 0.004 . 1 . . . . 430 TRP H . 15524 1 319 . 1 1 40 40 TRP HA H 1 4.449 0.008 . 1 . . . . 430 TRP HA . 15524 1 320 . 1 1 40 40 TRP HB2 H 1 3.345 0.004 . 1 . . . . 430 TRP HB2 . 15524 1 321 . 1 1 40 40 TRP HB3 H 1 3.345 0.004 . 1 . . . . 430 TRP HB3 . 15524 1 322 . 1 1 40 40 TRP HD1 H 1 7.209 0.001 . 1 . . . . 430 TRP HD1 . 15524 1 323 . 1 1 40 40 TRP HE1 H 1 10.136 0.005 . 1 . . . . 430 TRP HE1 . 15524 1 324 . 1 1 40 40 TRP HE3 H 1 7.573 0.003 . 1 . . . . 430 TRP HE3 . 15524 1 325 . 1 1 40 40 TRP HH2 H 1 7.125 0.007 . 1 . . . . 430 TRP HH2 . 15524 1 326 . 1 1 40 40 TRP HZ2 H 1 7.379 0.004 . 1 . . . . 430 TRP HZ2 . 15524 1 327 . 1 1 40 40 TRP HZ3 H 1 7.074 0.004 . 1 . . . . 430 TRP HZ3 . 15524 1 328 . 1 1 40 40 TRP N N 15 118.541 0.013 . 1 . . . . 430 TRP N . 15524 1 329 . 1 1 40 40 TRP NE1 N 15 128.518 0.072 . 1 . . . . 430 TRP NE1 . 15524 1 330 . 1 1 41 41 GLU H H 1 7.936 0.006 . 1 . . . . 431 GLU H . 15524 1 331 . 1 1 41 41 GLU HA H 1 4.078 0.009 . 1 . . . . 431 GLU HA . 15524 1 332 . 1 1 41 41 GLU HB2 H 1 2.181 0.008 . 1 . . . . 431 GLU HB2 . 15524 1 333 . 1 1 41 41 GLU HB3 H 1 2.181 0.008 . 1 . . . . 431 GLU HB3 . 15524 1 334 . 1 1 41 41 GLU HG2 H 1 2.308 0.016 . 1 . . . . 431 GLU HG2 . 15524 1 335 . 1 1 41 41 GLU HG3 H 1 2.308 0.016 . 1 . . . . 431 GLU HG3 . 15524 1 336 . 1 1 41 41 GLU N N 15 119.810 0.067 . 1 . . . . 431 GLU N . 15524 1 337 . 1 1 42 42 VAL H H 1 8.370 0.003 . 1 . . . . 432 VAL H . 15524 1 338 . 1 1 42 42 VAL HA H 1 3.619 0.010 . 1 . . . . 432 VAL HA . 15524 1 339 . 1 1 42 42 VAL HB H 1 2.068 0.005 . 1 . . . . 432 VAL HB . 15524 1 340 . 1 1 42 42 VAL HG11 H 1 1.027 0.006 . 2 . . . . 432 VAL HG11 . 15524 1 341 . 1 1 42 42 VAL HG12 H 1 1.027 0.006 . 2 . . . . 432 VAL HG12 . 15524 1 342 . 1 1 42 42 VAL HG13 H 1 1.027 0.006 . 2 . . . . 432 VAL HG13 . 15524 1 343 . 1 1 42 42 VAL HG21 H 1 1.029 0.010 . 2 . . . . 432 VAL HG21 . 15524 1 344 . 1 1 42 42 VAL HG22 H 1 1.029 0.010 . 2 . . . . 432 VAL HG22 . 15524 1 345 . 1 1 42 42 VAL HG23 H 1 1.029 0.010 . 2 . . . . 432 VAL HG23 . 15524 1 346 . 1 1 42 42 VAL N N 15 120.315 0.009 . 1 . . . . 432 VAL N . 15524 1 347 . 1 1 43 43 GLN H H 1 8.337 0.003 . 1 . . . . 433 GLN H . 15524 1 348 . 1 1 43 43 GLN HA H 1 3.962 0.005 . 1 . . . . 433 GLN HA . 15524 1 349 . 1 1 43 43 GLN HB2 H 1 2.056 0.014 . 2 . . . . 433 GLN HB2 . 15524 1 350 . 1 1 43 43 GLN HB3 H 1 2.200 0.011 . 2 . . . . 433 GLN HB3 . 15524 1 351 . 1 1 43 43 GLN HE21 H 1 6.716 0.002 . 1 . . . . 433 GLN HE21 . 15524 1 352 . 1 1 43 43 GLN HE22 H 1 7.048 0.007 . 1 . . . . 433 GLN HE22 . 15524 1 353 . 1 1 43 43 GLN HG2 H 1 2.269 0.004 . 2 . . . . 433 GLN HG2 . 15524 1 354 . 1 1 43 43 GLN HG3 H 1 2.431 0.008 . 2 . . . . 433 GLN HG3 . 15524 1 355 . 1 1 43 43 GLN N N 15 118.235 0.017 . 1 . . . . 433 GLN N . 15524 1 356 . 1 1 43 43 GLN NE2 N 15 110.399 0.032 . 1 . . . . 433 GLN NE2 . 15524 1 357 . 1 1 44 44 ARG H H 1 7.932 0.004 . 1 . . . . 434 ARG H . 15524 1 358 . 1 1 44 44 ARG HA H 1 3.924 0.005 . 1 . . . . 434 ARG HA . 15524 1 359 . 1 1 44 44 ARG HB2 H 1 1.823 0.006 . 2 . . . . 434 ARG HB2 . 15524 1 360 . 1 1 44 44 ARG HB3 H 1 1.824 0.007 . 2 . . . . 434 ARG HB3 . 15524 1 361 . 1 1 44 44 ARG HD2 H 1 2.985 0.004 . 2 . . . . 434 ARG HD2 . 15524 1 362 . 1 1 44 44 ARG HD3 H 1 3.021 0.013 . 2 . . . . 434 ARG HD3 . 15524 1 363 . 1 1 44 44 ARG HG2 H 1 1.427 0.011 . 2 . . . . 434 ARG HG2 . 15524 1 364 . 1 1 44 44 ARG HG3 H 1 1.617 0.003 . 2 . . . . 434 ARG HG3 . 15524 1 365 . 1 1 44 44 ARG N N 15 120.520 0.018 . 1 . . . . 434 ARG N . 15524 1 366 . 1 1 45 45 ILE H H 1 8.128 0.004 . 1 . . . . 435 ILE H . 15524 1 367 . 1 1 45 45 ILE HA H 1 3.688 0.011 . 1 . . . . 435 ILE HA . 15524 1 368 . 1 1 45 45 ILE HB H 1 1.955 0.003 . 1 . . . . 435 ILE HB . 15524 1 369 . 1 1 45 45 ILE HD11 H 1 0.806 0.021 . 1 . . . . 435 ILE HD11 . 15524 1 370 . 1 1 45 45 ILE HD12 H 1 0.806 0.021 . 1 . . . . 435 ILE HD12 . 15524 1 371 . 1 1 45 45 ILE HD13 H 1 0.806 0.021 . 1 . . . . 435 ILE HD13 . 15524 1 372 . 1 1 45 45 ILE HG12 H 1 1.063 0.010 . 2 . . . . 435 ILE HG12 . 15524 1 373 . 1 1 45 45 ILE HG13 H 1 1.685 0.006 . 2 . . . . 435 ILE HG13 . 15524 1 374 . 1 1 45 45 ILE HG21 H 1 0.840 0.005 . 1 . . . . 435 ILE HG21 . 15524 1 375 . 1 1 45 45 ILE HG22 H 1 0.840 0.005 . 1 . . . . 435 ILE HG22 . 15524 1 376 . 1 1 45 45 ILE HG23 H 1 0.840 0.005 . 1 . . . . 435 ILE HG23 . 15524 1 377 . 1 1 45 45 ILE N N 15 122.737 0.023 . 1 . . . . 435 ILE N . 15524 1 378 . 1 1 46 46 LEU H H 1 8.652 0.009 . 1 . . . . 436 LEU H . 15524 1 379 . 1 1 46 46 LEU HA H 1 3.920 0.004 . 1 . . . . 436 LEU HA . 15524 1 380 . 1 1 46 46 LEU HB2 H 1 1.792 0.005 . 1 . . . . 436 LEU HB2 . 15524 1 381 . 1 1 46 46 LEU HB3 H 1 1.792 0.005 . 1 . . . . 436 LEU HB3 . 15524 1 382 . 1 1 46 46 LEU HD11 H 1 0.834 0.000 . 1 . . . . 436 LEU HD11 . 15524 1 383 . 1 1 46 46 LEU HD12 H 1 0.834 0.000 . 1 . . . . 436 LEU HD12 . 15524 1 384 . 1 1 46 46 LEU HD13 H 1 0.834 0.000 . 1 . . . . 436 LEU HD13 . 15524 1 385 . 1 1 46 46 LEU HD21 H 1 0.834 0.000 . 1 . . . . 436 LEU HD21 . 15524 1 386 . 1 1 46 46 LEU HD22 H 1 0.834 0.000 . 1 . . . . 436 LEU HD22 . 15524 1 387 . 1 1 46 46 LEU HD23 H 1 0.834 0.000 . 1 . . . . 436 LEU HD23 . 15524 1 388 . 1 1 46 46 LEU HG H 1 1.618 0.007 . 1 . . . . 436 LEU HG . 15524 1 389 . 1 1 46 46 LEU N N 15 120.967 0.018 . 1 . . . . 436 LEU N . 15524 1 390 . 1 1 47 47 THR H H 1 8.273 0.006 . 1 . . . . 437 THR H . 15524 1 391 . 1 1 47 47 THR HA H 1 3.747 0.011 . 1 . . . . 437 THR HA . 15524 1 392 . 1 1 47 47 THR HB H 1 4.191 0.008 . 1 . . . . 437 THR HB . 15524 1 393 . 1 1 47 47 THR HG21 H 1 1.178 0.004 . 1 . . . . 437 THR HG21 . 15524 1 394 . 1 1 47 47 THR HG22 H 1 1.178 0.004 . 1 . . . . 437 THR HG22 . 15524 1 395 . 1 1 47 47 THR HG23 H 1 1.178 0.004 . 1 . . . . 437 THR HG23 . 15524 1 396 . 1 1 47 47 THR N N 15 115.318 0.031 . 1 . . . . 437 THR N . 15524 1 397 . 1 1 48 48 ALA H H 1 7.612 0.002 . 1 . . . . 438 ALA H . 15524 1 398 . 1 1 48 48 ALA HA H 1 4.055 0.005 . 1 . . . . 438 ALA HA . 15524 1 399 . 1 1 48 48 ALA HB1 H 1 1.466 0.006 . 1 . . . . 438 ALA HB1 . 15524 1 400 . 1 1 48 48 ALA HB2 H 1 1.466 0.006 . 1 . . . . 438 ALA HB2 . 15524 1 401 . 1 1 48 48 ALA HB3 H 1 1.466 0.006 . 1 . . . . 438 ALA HB3 . 15524 1 402 . 1 1 48 48 ALA N N 15 123.598 0.020 . 1 . . . . 438 ALA N . 15524 1 403 . 1 1 49 49 LEU H H 1 8.523 0.004 . 1 . . . . 439 LEU H . 15524 1 404 . 1 1 49 49 LEU HA H 1 3.927 0.005 . 1 . . . . 439 LEU HA . 15524 1 405 . 1 1 49 49 LEU HB2 H 1 1.904 0.009 . 1 . . . . 439 LEU HB2 . 15524 1 406 . 1 1 49 49 LEU HB3 H 1 1.904 0.009 . 1 . . . . 439 LEU HB3 . 15524 1 407 . 1 1 49 49 LEU HD11 H 1 0.772 0.002 . 2 . . . . 439 LEU HD11 . 15524 1 408 . 1 1 49 49 LEU HD12 H 1 0.772 0.002 . 2 . . . . 439 LEU HD12 . 15524 1 409 . 1 1 49 49 LEU HD13 H 1 0.772 0.002 . 2 . . . . 439 LEU HD13 . 15524 1 410 . 1 1 49 49 LEU HD21 H 1 0.833 0.000 . 2 . . . . 439 LEU HD21 . 15524 1 411 . 1 1 49 49 LEU HD22 H 1 0.833 0.000 . 2 . . . . 439 LEU HD22 . 15524 1 412 . 1 1 49 49 LEU HD23 H 1 0.833 0.000 . 2 . . . . 439 LEU HD23 . 15524 1 413 . 1 1 49 49 LEU HG H 1 1.268 0.008 . 1 . . . . 439 LEU HG . 15524 1 414 . 1 1 49 49 LEU N N 15 119.944 0.019 . 1 . . . . 439 LEU N . 15524 1 415 . 1 1 50 50 LYS H H 1 8.243 0.003 . 1 . . . . 440 LYS H . 15524 1 416 . 1 1 50 50 LYS HA H 1 3.778 0.007 . 1 . . . . 440 LYS HA . 15524 1 417 . 1 1 50 50 LYS HB2 H 1 1.824 0.009 . 1 . . . . 440 LYS HB2 . 15524 1 418 . 1 1 50 50 LYS HB3 H 1 1.824 0.009 . 1 . . . . 440 LYS HB3 . 15524 1 419 . 1 1 50 50 LYS HD2 H 1 1.612 0.006 . 1 . . . . 440 LYS HD2 . 15524 1 420 . 1 1 50 50 LYS HD3 H 1 1.612 0.006 . 1 . . . . 440 LYS HD3 . 15524 1 421 . 1 1 50 50 LYS HE2 H 1 2.891 0.007 . 1 . . . . 440 LYS HE2 . 15524 1 422 . 1 1 50 50 LYS HE3 H 1 2.891 0.007 . 1 . . . . 440 LYS HE3 . 15524 1 423 . 1 1 50 50 LYS HG2 H 1 1.370 0.010 . 1 . . . . 440 LYS HG2 . 15524 1 424 . 1 1 50 50 LYS HG3 H 1 1.370 0.010 . 1 . . . . 440 LYS HG3 . 15524 1 425 . 1 1 50 50 LYS N N 15 117.068 0.009 . 1 . . . . 440 LYS N . 15524 1 426 . 1 1 51 51 ARG H H 1 7.573 0.003 . 1 . . . . 441 ARG H . 15524 1 427 . 1 1 51 51 ARG HA H 1 4.024 0.009 . 1 . . . . 441 ARG HA . 15524 1 428 . 1 1 51 51 ARG HB2 H 1 1.884 0.010 . 1 . . . . 441 ARG HB2 . 15524 1 429 . 1 1 51 51 ARG HB3 H 1 1.884 0.010 . 1 . . . . 441 ARG HB3 . 15524 1 430 . 1 1 51 51 ARG HD2 H 1 3.129 0.007 . 1 . . . . 441 ARG HD2 . 15524 1 431 . 1 1 51 51 ARG HD3 H 1 3.129 0.007 . 1 . . . . 441 ARG HD3 . 15524 1 432 . 1 1 51 51 ARG HG2 H 1 1.585 0.009 . 2 . . . . 441 ARG HG2 . 15524 1 433 . 1 1 51 51 ARG HG3 H 1 1.746 0.003 . 2 . . . . 441 ARG HG3 . 15524 1 434 . 1 1 51 51 ARG N N 15 118.549 0.010 . 1 . . . . 441 ARG N . 15524 1 435 . 1 1 52 52 LYS H H 1 7.688 0.004 . 1 . . . . 442 LYS H . 15524 1 436 . 1 1 52 52 LYS HA H 1 4.039 0.008 . 1 . . . . 442 LYS HA . 15524 1 437 . 1 1 52 52 LYS HB2 H 1 1.890 0.010 . 2 . . . . 442 LYS HB2 . 15524 1 438 . 1 1 52 52 LYS HB3 H 1 1.962 0.014 . 2 . . . . 442 LYS HB3 . 15524 1 439 . 1 1 52 52 LYS HD2 H 1 1.604 0.007 . 2 . . . . 442 LYS HD2 . 15524 1 440 . 1 1 52 52 LYS HD3 H 1 1.606 0.005 . 2 . . . . 442 LYS HD3 . 15524 1 441 . 1 1 52 52 LYS HE2 H 1 3.185 0.004 . 1 . . . . 442 LYS HE2 . 15524 1 442 . 1 1 52 52 LYS HE3 H 1 3.185 0.004 . 1 . . . . 442 LYS HE3 . 15524 1 443 . 1 1 52 52 LYS HG2 H 1 1.417 0.005 . 2 . . . . 442 LYS HG2 . 15524 1 444 . 1 1 52 52 LYS HG3 H 1 1.418 0.005 . 2 . . . . 442 LYS HG3 . 15524 1 445 . 1 1 52 52 LYS N N 15 118.588 0.034 . 1 . . . . 442 LYS N . 15524 1 446 . 1 1 53 53 LEU H H 1 7.642 0.002 . 1 . . . . 443 LEU H . 15524 1 447 . 1 1 53 53 LEU HA H 1 4.157 0.003 . 1 . . . . 443 LEU HA . 15524 1 448 . 1 1 53 53 LEU HB2 H 1 1.648 0.009 . 1 . . . . 443 LEU HB2 . 15524 1 449 . 1 1 53 53 LEU HB3 H 1 1.648 0.009 . 1 . . . . 443 LEU HB3 . 15524 1 450 . 1 1 53 53 LEU HD11 H 1 0.806 0.016 . 2 . . . . 443 LEU HD11 . 15524 1 451 . 1 1 53 53 LEU HD12 H 1 0.806 0.016 . 2 . . . . 443 LEU HD12 . 15524 1 452 . 1 1 53 53 LEU HD13 H 1 0.806 0.016 . 2 . . . . 443 LEU HD13 . 15524 1 453 . 1 1 53 53 LEU HD21 H 1 0.846 0.009 . 2 . . . . 443 LEU HD21 . 15524 1 454 . 1 1 53 53 LEU HD22 H 1 0.846 0.009 . 2 . . . . 443 LEU HD22 . 15524 1 455 . 1 1 53 53 LEU HD23 H 1 0.846 0.009 . 2 . . . . 443 LEU HD23 . 15524 1 456 . 1 1 53 53 LEU HG H 1 1.649 0.009 . 1 . . . . 443 LEU HG . 15524 1 457 . 1 1 53 53 LEU N N 15 118.548 0.012 . 1 . . . . 443 LEU N . 15524 1 458 . 1 1 54 54 ARG H H 1 7.723 0.003 . 1 . . . . 444 ARG H . 15524 1 459 . 1 1 54 54 ARG HA H 1 4.224 0.002 . 1 . . . . 444 ARG HA . 15524 1 460 . 1 1 54 54 ARG HB2 H 1 1.817 0.017 . 1 . . . . 444 ARG HB2 . 15524 1 461 . 1 1 54 54 ARG HB3 H 1 1.817 0.017 . 1 . . . . 444 ARG HB3 . 15524 1 462 . 1 1 54 54 ARG HD2 H 1 3.163 0.001 . 1 . . . . 444 ARG HD2 . 15524 1 463 . 1 1 54 54 ARG HD3 H 1 3.163 0.001 . 1 . . . . 444 ARG HD3 . 15524 1 464 . 1 1 54 54 ARG HG2 H 1 1.640 0.013 . 1 . . . . 444 ARG HG2 . 15524 1 465 . 1 1 54 54 ARG HG3 H 1 1.640 0.013 . 1 . . . . 444 ARG HG3 . 15524 1 466 . 1 1 54 54 ARG N N 15 118.267 0.012 . 1 . . . . 444 ARG N . 15524 1 467 . 1 1 55 55 GLU H H 1 7.880 0.005 . 1 . . . . 445 GLU H . 15524 1 468 . 1 1 55 55 GLU HA H 1 4.232 0.005 . 1 . . . . 445 GLU HA . 15524 1 469 . 1 1 55 55 GLU HB2 H 1 1.879 0.009 . 2 . . . . 445 GLU HB2 . 15524 1 470 . 1 1 55 55 GLU HB3 H 1 2.068 0.011 . 2 . . . . 445 GLU HB3 . 15524 1 471 . 1 1 55 55 GLU HG2 H 1 2.190 0.002 . 2 . . . . 445 GLU HG2 . 15524 1 472 . 1 1 55 55 GLU HG3 H 1 2.283 0.006 . 2 . . . . 445 GLU HG3 . 15524 1 473 . 1 1 55 55 GLU N N 15 119.778 0.016 . 1 . . . . 445 GLU N . 15524 1 474 . 1 1 56 56 ALA H H 1 7.637 0.007 . 1 . . . . 446 ALA H . 15524 1 475 . 1 1 56 56 ALA HA H 1 4.047 0.007 . 1 . . . . 446 ALA HA . 15524 1 476 . 1 1 56 56 ALA HB1 H 1 1.286 0.002 . 1 . . . . 446 ALA HB1 . 15524 1 477 . 1 1 56 56 ALA HB2 H 1 1.286 0.002 . 1 . . . . 446 ALA HB2 . 15524 1 478 . 1 1 56 56 ALA HB3 H 1 1.286 0.002 . 1 . . . . 446 ALA HB3 . 15524 1 479 . 1 1 56 56 ALA N N 15 129.477 0.009 . 1 . . . . 446 ALA N . 15524 1 stop_ save_