data_19215 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19215 _Entry.Title ; Independently verified structure of gp41-M-MAT, a membrane associated MPER trimer from HIV-1 gp41 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-01 _Entry.Accession_date 2013-05-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Jeffrey Martin . W. . 19215 2 Patrick Reardon . N. . 19215 3 Harvey Sage . S. . 19215 4 S. Dennison . Moses . 19215 5 S. Alam . Munir . 19215 6 Barton Haynes . F. . 19215 7 Leonard Spicer . D. . 19215 8 Bruce Donald . R. . 19215 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19215 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID gp41 . 19215 HIV-1 . 19215 MPER . 19215 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19215 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 152 19215 '15N chemical shifts' 64 19215 '1H chemical shifts' 269 19215 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 . . 2014-02-05 2013-05-01 update BMRB 'update entry citation' 19215 1 . . 2013-05-13 2013-05-01 original author 'original release' 19215 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LP7 'parallel validation of structure using independent methodology' 19215 PDB 2M7W 'BMRB Entry Tracking System' 19215 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19215 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24474763 _Citation.Full_citation . _Citation.Title 'Structure of an HIV-1-neutralizing antibody target, the lipid-bound gp41 envelope membrane proximal region trimer.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 111 _Citation.Journal_issue 4 _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 1391 _Citation.Page_last 1396 _Citation.Year 2014 _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 Patrick Reardon . N. . 19215 1 2 Harvey Sage . . . 19215 1 3 'S. Moses' Dennison . . . 19215 1 4 Jeffrey Martin . W. . 19215 1 5 Bruce Donald . R. . 19215 1 6 'S. Munir' Alam . . . 19215 1 7 Barton Haynes . F. . 19215 1 8 Leonard Spicer . D. . 19215 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19215 _Assembly.ID 1 _Assembly.Name gp41-M-MAT _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 'gp41-M-MAT, chain 1' 1 $gp41-M-MAT A . yes native no no . . . 19215 1 2 'gp41-M-MAT, chain 2' 1 $gp41-M-MAT B . yes native no no . . . 19215 1 3 'gp41-M-MAT, chain 3' 1 $gp41-M-MAT C . yes native no no . . . 19215 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_gp41-M-MAT _Entity.Sf_category entity _Entity.Sf_framecode gp41-M-MAT _Entity.Entry_ID 19215 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name gp41-M-MAT _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 ; GYIPEAPRDGQAYVRKDGEW VLLSTFLGSSGNEQELLELD KWASLWNWFNITNWLWYIK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 59 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7010.886 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 18237 . entity . . . . . 100.00 59 100.00 100.00 1.72e-33 . . . . 19215 1 2 no PDB 2LP7 . "Structure Of Gp41-m-mat, A Membrane Associated Mper Trimer From Hiv-1 Gp41." . . . . . 100.00 59 100.00 100.00 1.72e-33 . . . . 19215 1 3 no PDB 2M7W . "Independently Verified Structure Of Gp41-m-mat, A Membrane Associated Mper Trimer From Hiv-1 Gp41" . . . . . 100.00 59 100.00 100.00 1.72e-33 . . . . 19215 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 19215 1 2 . TYR . 19215 1 3 . ILE . 19215 1 4 . PRO . 19215 1 5 . GLU . 19215 1 6 . ALA . 19215 1 7 . PRO . 19215 1 8 . ARG . 19215 1 9 . ASP . 19215 1 10 . GLY . 19215 1 11 . GLN . 19215 1 12 . ALA . 19215 1 13 . TYR . 19215 1 14 . VAL . 19215 1 15 . ARG . 19215 1 16 . LYS . 19215 1 17 . ASP . 19215 1 18 . GLY . 19215 1 19 . GLU . 19215 1 20 . TRP . 19215 1 21 . VAL . 19215 1 22 . LEU . 19215 1 23 . LEU . 19215 1 24 . SER . 19215 1 25 . THR . 19215 1 26 . PHE . 19215 1 27 . LEU . 19215 1 28 . GLY . 19215 1 29 . SER . 19215 1 30 . SER . 19215 1 31 . GLY . 19215 1 32 . ASN . 19215 1 33 . GLU . 19215 1 34 . GLN . 19215 1 35 . GLU . 19215 1 36 . LEU . 19215 1 37 . LEU . 19215 1 38 . GLU . 19215 1 39 . LEU . 19215 1 40 . ASP . 19215 1 41 . LYS . 19215 1 42 . TRP . 19215 1 43 . ALA . 19215 1 44 . SER . 19215 1 45 . LEU . 19215 1 46 . TRP . 19215 1 47 . ASN . 19215 1 48 . TRP . 19215 1 49 . PHE . 19215 1 50 . ASN . 19215 1 51 . ILE . 19215 1 52 . THR . 19215 1 53 . ASN . 19215 1 54 . TRP . 19215 1 55 . LEU . 19215 1 56 . TRP . 19215 1 57 . TYR . 19215 1 58 . ILE . 19215 1 59 . LYS . 19215 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 19215 1 . TYR 2 2 19215 1 . ILE 3 3 19215 1 . PRO 4 4 19215 1 . GLU 5 5 19215 1 . ALA 6 6 19215 1 . PRO 7 7 19215 1 . ARG 8 8 19215 1 . ASP 9 9 19215 1 . GLY 10 10 19215 1 . GLN 11 11 19215 1 . ALA 12 12 19215 1 . TYR 13 13 19215 1 . VAL 14 14 19215 1 . ARG 15 15 19215 1 . LYS 16 16 19215 1 . ASP 17 17 19215 1 . GLY 18 18 19215 1 . GLU 19 19 19215 1 . TRP 20 20 19215 1 . VAL 21 21 19215 1 . LEU 22 22 19215 1 . LEU 23 23 19215 1 . SER 24 24 19215 1 . THR 25 25 19215 1 . PHE 26 26 19215 1 . LEU 27 27 19215 1 . GLY 28 28 19215 1 . SER 29 29 19215 1 . SER 30 30 19215 1 . GLY 31 31 19215 1 . ASN 32 32 19215 1 . GLU 33 33 19215 1 . GLN 34 34 19215 1 . GLU 35 35 19215 1 . LEU 36 36 19215 1 . LEU 37 37 19215 1 . GLU 38 38 19215 1 . LEU 39 39 19215 1 . ASP 40 40 19215 1 . LYS 41 41 19215 1 . TRP 42 42 19215 1 . ALA 43 43 19215 1 . SER 44 44 19215 1 . LEU 45 45 19215 1 . TRP 46 46 19215 1 . ASN 47 47 19215 1 . TRP 48 48 19215 1 . PHE 49 49 19215 1 . ASN 50 50 19215 1 . ILE 51 51 19215 1 . THR 52 52 19215 1 . ASN 53 53 19215 1 . TRP 54 54 19215 1 . LEU 55 55 19215 1 . TRP 56 56 19215 1 . TYR 57 57 19215 1 . ILE 58 58 19215 1 . LYS 59 59 19215 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 19215 _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 $gp41-M-MAT . 11676 virus . 'Human immunodeficiency virus 1' 'Human immunodeficiency virus type 1' . . Viruses . Lentivirus 'Human immunodeficiency virus 1' . . . . . . . . . . . . . . . . . . . . . 19215 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 19215 _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 $gp41-M-MAT . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . Ptcle . . . . . . 19215 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19215 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 gp41-M-MAT '[U-99% 2H]' . . 1 $gp41-M-MAT . . 2 . . mM . . . . 19215 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19215 1 3 DPC 'natural abundance' . . . . . . 100 . . mM . . . . 19215 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19215 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19215 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 19215 _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 6.0 . pH 19215 1 pressure 1 . atm 19215 1 temperature 273 . K 19215 1 stop_ save_ ############################ # Computer software used # ############################ save_DISCO _Software.Sf_category software _Software.Sf_framecode DISCO _Software.Entry_ID 19215 _Software.ID 1 _Software.Name DISCO _Software.Version 1 _Software.Details ; DISCO is software to compute protein quaternary structures of Cn symmetric homo-oligomers from RDCs and NOEs. It guarantees to compute all quaternary structures consistent with the RDCs and NOEs without becoming trapped in the local minima of a energy function based on molecular mechanics. See publication for complete description: J. Martin, A. Yan, C. Bailey Kellogg, P. Zhou, and B. Donald. A graphical method for analyzing distance restraints using residual dipolar couplings for structure determination of symmetric protein homo oligomers. Protein Science, 2011. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Martin, Yan, Bailey-Kellogg, Zhou, and Donald' disco@cs.duke.edu http://www.cs.duke.edu/donaldlab/software/DISCO/ 19215 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19215 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19215 _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version 2.33 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19215 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19215 2 'structure solution' 19215 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19215 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19215 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19215 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19215 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 950 . . . 19215 1 2 spectrometer_2 Varian INOVA . 800 . . . 19215 1 3 spectrometer_3 Varian INOVA . 600 . . . 19215 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 19215 _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 . . . . . . . . . . . . . . . . . . . . . 19215 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19215 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19215 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19215 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19215 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 19215 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19215 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19215 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19215 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 19215 _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 2 '3D HNCA' . . . 19215 1 3 '3D HNCACB' . . . 19215 1 4 '3D HN(CO)CA' . . . 19215 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 2 2 TYR H H 1 7.951 0.020 . 1 . . . A 2 TYR H . 19215 1 2 . 1 1 2 2 TYR C C 13 176.535 0.3 . 1 . . . A 2 TYR C . 19215 1 3 . 1 1 2 2 TYR CA C 13 55.995 0.3 . 1 . . . A 2 TYR CA . 19215 1 4 . 1 1 2 2 TYR CB C 13 37.313 0.3 . 1 . . . A 2 TYR CB . 19215 1 5 . 1 1 2 2 TYR N N 15 120.470 0.3 . 1 . . . A 2 TYR N . 19215 1 6 . 1 1 3 3 ILE H H 1 8.381 0.020 . 1 . . . A 3 ILE H . 19215 1 7 . 1 1 3 3 ILE CA C 13 58.968 0.3 . 1 . . . A 3 ILE CA . 19215 1 8 . 1 1 3 3 ILE CB C 13 38.074 0.3 . 1 . . . A 3 ILE CB . 19215 1 9 . 1 1 3 3 ILE N N 15 118.307 0.3 . 1 . . . A 3 ILE N . 19215 1 10 . 1 1 5 5 GLU H H 1 7.710 0.020 . 1 . . . A 5 GLU H . 19215 1 11 . 1 1 5 5 GLU HA H 1 4.255 0.020 . 1 . . . A 5 GLU HA . 19215 1 12 . 1 1 5 5 GLU C C 13 176.267 0.3 . 1 . . . A 5 GLU C . 19215 1 13 . 1 1 5 5 GLU CA C 13 55.959 0.3 . 1 . . . A 5 GLU CA . 19215 1 14 . 1 1 5 5 GLU CB C 13 30.034 0.3 . 1 . . . A 5 GLU CB . 19215 1 15 . 1 1 5 5 GLU N N 15 118.785 0.3 . 1 . . . A 5 GLU N . 19215 1 16 . 1 1 6 6 ALA H H 1 8.338 0.020 . 1 . . . A 6 ALA H . 19215 1 17 . 1 1 6 6 ALA HA H 1 3.575 0.020 . 1 . . . A 6 ALA HA . 19215 1 18 . 1 1 6 6 ALA HB1 H 1 -0.416 0.020 . 1 . . . A 6 ALA HB1 . 19215 1 19 . 1 1 6 6 ALA HB2 H 1 -0.416 0.020 . 1 . . . A 6 ALA HB2 . 19215 1 20 . 1 1 6 6 ALA HB3 H 1 -0.416 0.020 . 1 . . . A 6 ALA HB3 . 19215 1 21 . 1 1 6 6 ALA CA C 13 50.959 0.3 . 1 . . . A 6 ALA CA . 19215 1 22 . 1 1 6 6 ALA CB C 13 14.389 0.3 . 1 . . . A 6 ALA CB . 19215 1 23 . 1 1 6 6 ALA N N 15 131.546 0.3 . 1 . . . A 6 ALA N . 19215 1 24 . 1 1 8 8 ARG H H 1 8.725 0.020 . 1 . . . A 8 ARG H . 19215 1 25 . 1 1 8 8 ARG HA H 1 4.070 0.020 . 1 . . . A 8 ARG HA . 19215 1 26 . 1 1 8 8 ARG HG2 H 1 1.715 0.020 . 1 . . . A 8 ARG HG2 . 19215 1 27 . 1 1 8 8 ARG HG3 H 1 1.715 0.020 . 1 . . . A 8 ARG HG3 . 19215 1 28 . 1 1 8 8 ARG HD2 H 1 3.128 0.020 . 1 . . . A 8 ARG HD2 . 19215 1 29 . 1 1 8 8 ARG HD3 H 1 3.128 0.020 . 1 . . . A 8 ARG HD3 . 19215 1 30 . 1 1 8 8 ARG C C 13 175.110 0.3 . 1 . . . A 8 ARG C . 19215 1 31 . 1 1 8 8 ARG CA C 13 54.699 0.3 . 1 . . . A 8 ARG CA . 19215 1 32 . 1 1 8 8 ARG CB C 13 28.078 0.3 . 1 . . . A 8 ARG CB . 19215 1 33 . 1 1 8 8 ARG N N 15 126.915 0.3 . 1 . . . A 8 ARG N . 19215 1 34 . 1 1 9 9 ASP H H 1 8.432 0.020 . 1 . . . A 9 ASP H . 19215 1 35 . 1 1 9 9 ASP C C 13 178.015 0.3 . 1 . . . A 9 ASP C . 19215 1 36 . 1 1 9 9 ASP CA C 13 52.747 0.3 . 1 . . . A 9 ASP CA . 19215 1 37 . 1 1 9 9 ASP CB C 13 40.844 0.3 . 1 . . . A 9 ASP CB . 19215 1 38 . 1 1 9 9 ASP N N 15 123.653 0.3 . 1 . . . A 9 ASP N . 19215 1 39 . 1 1 10 10 GLY H H 1 9.727 0.020 . 1 . . . A 10 GLY H . 19215 1 40 . 1 1 10 10 GLY C C 13 174.822 0.3 . 1 . . . A 10 GLY C . 19215 1 41 . 1 1 10 10 GLY CA C 13 45.244 0.3 . 1 . . . A 10 GLY CA . 19215 1 42 . 1 1 10 10 GLY N N 15 111.908 0.3 . 1 . . . A 10 GLY N . 19215 1 43 . 1 1 11 11 GLN H H 1 8.416 0.020 . 1 . . . A 11 GLN H . 19215 1 44 . 1 1 11 11 GLN C C 13 174.711 0.3 . 1 . . . A 11 GLN C . 19215 1 45 . 1 1 11 11 GLN CA C 13 53.398 0.3 . 1 . . . A 11 GLN CA . 19215 1 46 . 1 1 11 11 GLN CB C 13 30.306 0.3 . 1 . . . A 11 GLN CB . 19215 1 47 . 1 1 11 11 GLN N N 15 118.395 0.3 . 1 . . . A 11 GLN N . 19215 1 48 . 1 1 12 12 ALA H H 1 7.933 0.020 . 1 . . . A 12 ALA H . 19215 1 49 . 1 1 12 12 ALA HA H 1 4.943 0.020 . 1 . . . A 12 ALA HA . 19215 1 50 . 1 1 12 12 ALA HB1 H 1 0.718 0.020 . 1 . . . A 12 ALA HB1 . 19215 1 51 . 1 1 12 12 ALA HB2 H 1 0.718 0.020 . 1 . . . A 12 ALA HB2 . 19215 1 52 . 1 1 12 12 ALA HB3 H 1 0.718 0.020 . 1 . . . A 12 ALA HB3 . 19215 1 53 . 1 1 12 12 ALA C C 13 177.990 0.3 . 1 . . . A 12 ALA C . 19215 1 54 . 1 1 12 12 ALA CA C 13 50.511 0.3 . 1 . . . A 12 ALA CA . 19215 1 55 . 1 1 12 12 ALA CB C 13 20.147 0.3 . 1 . . . A 12 ALA CB . 19215 1 56 . 1 1 12 12 ALA N N 15 121.020 0.3 . 1 . . . A 12 ALA N . 19215 1 57 . 1 1 13 13 TYR H H 1 9.575 0.020 . 1 . . . A 13 TYR H . 19215 1 58 . 1 1 13 13 TYR C C 13 175.519 0.3 . 1 . . . A 13 TYR C . 19215 1 59 . 1 1 13 13 TYR CA C 13 59.090 0.3 . 1 . . . A 13 TYR CA . 19215 1 60 . 1 1 13 13 TYR CB C 13 43.180 0.3 . 1 . . . A 13 TYR CB . 19215 1 61 . 1 1 13 13 TYR N N 15 121.755 0.3 . 1 . . . A 13 TYR N . 19215 1 62 . 1 1 14 14 VAL H H 1 9.659 0.020 . 1 . . . A 14 VAL H . 19215 1 63 . 1 1 14 14 VAL HB H 1 2.668 0.020 . 1 . . . A 14 VAL HB . 19215 1 64 . 1 1 14 14 VAL HG11 H 1 1.056 0.020 . 1 . . . A 14 VAL HG11 . 19215 1 65 . 1 1 14 14 VAL HG12 H 1 1.056 0.020 . 1 . . . A 14 VAL HG12 . 19215 1 66 . 1 1 14 14 VAL HG13 H 1 1.056 0.020 . 1 . . . A 14 VAL HG13 . 19215 1 67 . 1 1 14 14 VAL HG21 H 1 0.790 0.020 . 1 . . . A 14 VAL HG21 . 19215 1 68 . 1 1 14 14 VAL HG22 H 1 0.790 0.020 . 1 . . . A 14 VAL HG22 . 19215 1 69 . 1 1 14 14 VAL HG23 H 1 0.790 0.020 . 1 . . . A 14 VAL HG23 . 19215 1 70 . 1 1 14 14 VAL C C 13 174.074 0.3 . 1 . . . A 14 VAL C . 19215 1 71 . 1 1 14 14 VAL CA C 13 59.090 0.3 . 1 . . . A 14 VAL CA . 19215 1 72 . 1 1 14 14 VAL CB C 13 32.750 0.3 . 1 . . . A 14 VAL CB . 19215 1 73 . 1 1 14 14 VAL N N 15 112.251 0.3 . 1 . . . A 14 VAL N . 19215 1 74 . 1 1 15 15 ARG H H 1 8.503 0.020 . 1 . . . A 15 ARG H . 19215 1 75 . 1 1 15 15 ARG C C 13 174.948 0.3 . 1 . . . A 15 ARG C . 19215 1 76 . 1 1 15 15 ARG CA C 13 53.520 0.3 . 1 . . . A 15 ARG CA . 19215 1 77 . 1 1 15 15 ARG CB C 13 32.533 0.3 . 1 . . . A 15 ARG CB . 19215 1 78 . 1 1 15 15 ARG N N 15 124.657 0.3 . 1 . . . A 15 ARG N . 19215 1 79 . 1 1 16 16 LYS H H 1 9.052 0.020 . 1 . . . A 16 LYS H . 19215 1 80 . 1 1 16 16 LYS C C 13 175.974 0.3 . 1 . . . A 16 LYS C . 19215 1 81 . 1 1 16 16 LYS CA C 13 55.776 0.3 . 1 . . . A 16 LYS CA . 19215 1 82 . 1 1 16 16 LYS CB C 13 36.553 0.3 . 1 . . . A 16 LYS CB . 19215 1 83 . 1 1 16 16 LYS N N 15 128.240 0.3 . 1 . . . A 16 LYS N . 19215 1 84 . 1 1 17 17 ASP H H 1 10.886 0.020 . 1 . . . A 17 ASP H . 19215 1 85 . 1 1 17 17 ASP C C 13 175.822 0.3 . 1 . . . A 17 ASP C . 19215 1 86 . 1 1 17 17 ASP CA C 13 56.447 0.3 . 1 . . . A 17 ASP CA . 19215 1 87 . 1 1 17 17 ASP CB C 13 40.192 0.3 . 1 . . . A 17 ASP CB . 19215 1 88 . 1 1 17 17 ASP N N 15 130.562 0.3 . 1 . . . A 17 ASP N . 19215 1 89 . 1 1 18 18 GLY H H 1 9.353 0.020 . 1 . . . A 18 GLY H . 19215 1 90 . 1 1 18 18 GLY C C 13 173.104 0.3 . 1 . . . A 18 GLY C . 19215 1 91 . 1 1 18 18 GLY CA C 13 45.244 0.3 . 1 . . . A 18 GLY CA . 19215 1 92 . 1 1 18 18 GLY N N 15 104.754 0.3 . 1 . . . A 18 GLY N . 19215 1 93 . 1 1 19 19 GLU H H 1 7.813 0.020 . 1 . . . A 19 GLU H . 19215 1 94 . 1 1 19 19 GLU HA H 1 4.648 0.020 . 1 . . . A 19 GLU HA . 19215 1 95 . 1 1 19 19 GLU HB3 H 1 2.151 0.020 . 1 . . . A 19 GLU HB3 . 19215 1 96 . 1 1 19 19 GLU HG2 H 1 2.276 0.020 . 2 . . . A 19 GLU HG2 . 19215 1 97 . 1 1 19 19 GLU HG3 H 1 2.358 0.020 . 2 . . . A 19 GLU HG3 . 19215 1 98 . 1 1 19 19 GLU C C 13 176.166 0.3 . 1 . . . A 19 GLU C . 19215 1 99 . 1 1 19 19 GLU CA C 13 53.865 0.3 . 1 . . . A 19 GLU CA . 19215 1 100 . 1 1 19 19 GLU CB C 13 33.130 0.3 . 1 . . . A 19 GLU CB . 19215 1 101 . 1 1 19 19 GLU N N 15 117.501 0.3 . 1 . . . A 19 GLU N . 19215 1 102 . 1 1 20 20 TRP H H 1 9.094 0.020 . 1 . . . A 20 TRP H . 19215 1 103 . 1 1 20 20 TRP HA H 1 4.667 0.020 . 1 . . . A 20 TRP HA . 19215 1 104 . 1 1 20 20 TRP HB2 H 1 3.178 0.020 . 1 . . . A 20 TRP HB2 . 19215 1 105 . 1 1 20 20 TRP HB3 H 1 3.178 0.020 . 1 . . . A 20 TRP HB3 . 19215 1 106 . 1 1 20 20 TRP HE1 H 1 10.317 0.020 . 1 . . . A 20 TRP HE1 . 19215 1 107 . 1 1 20 20 TRP C C 13 176.302 0.3 . 1 . . . A 20 TRP C . 19215 1 108 . 1 1 20 20 TRP CA C 13 55.878 0.3 . 1 . . . A 20 TRP CA . 19215 1 109 . 1 1 20 20 TRP CB C 13 29.545 0.3 . 1 . . . A 20 TRP CB . 19215 1 110 . 1 1 20 20 TRP N N 15 122.768 0.3 . 1 . . . A 20 TRP N . 19215 1 111 . 1 1 20 20 TRP NE1 N 15 131.575 0.3 . 1 . . . A 20 TRP NE1 . 19215 1 112 . 1 1 21 21 VAL H H 1 9.868 0.020 . 1 . . . A 21 VAL H . 19215 1 113 . 1 1 21 21 VAL HA H 1 4.985 0.020 . 1 . . . A 21 VAL HA . 19215 1 114 . 1 1 21 21 VAL HB H 1 2.247 0.020 . 1 . . . A 21 VAL HB . 19215 1 115 . 1 1 21 21 VAL HG11 H 1 1.129 0.020 . 1 . . . A 21 VAL HG11 . 19215 1 116 . 1 1 21 21 VAL HG12 H 1 1.129 0.020 . 1 . . . A 21 VAL HG12 . 19215 1 117 . 1 1 21 21 VAL HG13 H 1 1.129 0.020 . 1 . . . A 21 VAL HG13 . 19215 1 118 . 1 1 21 21 VAL HG21 H 1 1.059 0.020 . 1 . . . A 21 VAL HG21 . 19215 1 119 . 1 1 21 21 VAL HG22 H 1 1.059 0.020 . 1 . . . A 21 VAL HG22 . 19215 1 120 . 1 1 21 21 VAL HG23 H 1 1.059 0.020 . 1 . . . A 21 VAL HG23 . 19215 1 121 . 1 1 21 21 VAL C C 13 175.640 0.3 . 1 . . . A 21 VAL C . 19215 1 122 . 1 1 21 21 VAL CA C 13 59.537 0.3 . 1 . . . A 21 VAL CA . 19215 1 123 . 1 1 21 21 VAL CB C 13 34.651 0.3 . 1 . . . A 21 VAL CB . 19215 1 124 . 1 1 21 21 VAL CG1 C 13 22.664 0.3 . 1 . . . A 21 VAL CG1 . 19215 1 125 . 1 1 21 21 VAL N N 15 123.071 0.3 . 1 . . . A 21 VAL N . 19215 1 126 . 1 1 22 22 LEU H H 1 8.812 0.020 . 1 . . . A 22 LEU H . 19215 1 127 . 1 1 22 22 LEU HA H 1 4.422 0.020 . 1 . . . A 22 LEU HA . 19215 1 128 . 1 1 22 22 LEU HB2 H 1 1.632 0.020 . 1 . . . A 22 LEU HB2 . 19215 1 129 . 1 1 22 22 LEU HB3 H 1 1.632 0.020 . 1 . . . A 22 LEU HB3 . 19215 1 130 . 1 1 22 22 LEU HD11 H 1 0.819 0.020 . 1 . . . A 22 LEU HD11 . 19215 1 131 . 1 1 22 22 LEU HD12 H 1 0.819 0.020 . 1 . . . A 22 LEU HD12 . 19215 1 132 . 1 1 22 22 LEU HD13 H 1 0.819 0.020 . 1 . . . A 22 LEU HD13 . 19215 1 133 . 1 1 22 22 LEU HD21 H 1 0.856 0.020 . 1 . . . A 22 LEU HD21 . 19215 1 134 . 1 1 22 22 LEU HD22 H 1 0.856 0.020 . 1 . . . A 22 LEU HD22 . 19215 1 135 . 1 1 22 22 LEU HD23 H 1 0.856 0.020 . 1 . . . A 22 LEU HD23 . 19215 1 136 . 1 1 22 22 LEU C C 13 179.268 0.3 . 1 . . . A 22 LEU C . 19215 1 137 . 1 1 22 22 LEU CA C 13 55.634 0.3 . 1 . . . A 22 LEU CA . 19215 1 138 . 1 1 22 22 LEU CB C 13 41.279 0.3 . 1 . . . A 22 LEU CB . 19215 1 139 . 1 1 22 22 LEU N N 15 127.193 0.3 . 1 . . . A 22 LEU N . 19215 1 140 . 1 1 23 23 LEU H H 1 8.562 0.020 . 1 . . . A 23 LEU H . 19215 1 141 . 1 1 23 23 LEU C C 13 178.844 0.3 . 1 . . . A 23 LEU C . 19215 1 142 . 1 1 23 23 LEU CA C 13 57.403 0.3 . 1 . . . A 23 LEU CA . 19215 1 143 . 1 1 23 23 LEU CB C 13 41.061 0.3 . 1 . . . A 23 LEU CB . 19215 1 144 . 1 1 23 23 LEU N N 15 126.386 0.3 . 1 . . . A 23 LEU N . 19215 1 145 . 1 1 24 24 SER H H 1 9.098 0.020 . 1 . . . A 24 SER H . 19215 1 146 . 1 1 24 24 SER HA H 1 4.621 0.020 . 1 . . . A 24 SER HA . 19215 1 147 . 1 1 24 24 SER HB2 H 1 3.835 0.020 . 1 . . . A 24 SER HB2 . 19215 1 148 . 1 1 24 24 SER HB3 H 1 3.835 0.020 . 1 . . . A 24 SER HB3 . 19215 1 149 . 1 1 24 24 SER C C 13 176.676 0.3 . 1 . . . A 24 SER C . 19215 1 150 . 1 1 24 24 SER CA C 13 60.960 0.3 . 1 . . . A 24 SER CA . 19215 1 151 . 1 1 24 24 SER CB C 13 61.650 0.3 . 1 . . . A 24 SER CB . 19215 1 152 . 1 1 24 24 SER N N 15 113.100 0.3 . 1 . . . A 24 SER N . 19215 1 153 . 1 1 25 25 THR H H 1 7.238 0.020 . 1 . . . A 25 THR H . 19215 1 154 . 1 1 25 25 THR HA H 1 3.915 0.020 . 1 . . . A 25 THR HA . 19215 1 155 . 1 1 25 25 THR HB H 1 3.548 0.020 . 1 . . . A 25 THR HB . 19215 1 156 . 1 1 25 25 THR HG21 H 1 0.851 0.020 . 1 . . . A 25 THR HG21 . 19215 1 157 . 1 1 25 25 THR HG22 H 1 0.851 0.020 . 1 . . . A 25 THR HG22 . 19215 1 158 . 1 1 25 25 THR HG23 H 1 0.851 0.020 . 1 . . . A 25 THR HG23 . 19215 1 159 . 1 1 25 25 THR CA C 13 64.599 0.3 . 1 . . . A 25 THR CA . 19215 1 160 . 1 1 25 25 THR CB C 13 68.657 0.3 . 1 . . . A 25 THR CB . 19215 1 161 . 1 1 25 25 THR CG2 C 13 21.953 0.3 . 1 . . . A 25 THR CG2 . 19215 1 162 . 1 1 25 25 THR N N 15 116.715 0.3 . 1 . . . A 25 THR N . 19215 1 163 . 1 1 26 26 PHE H H 1 7.945 0.020 . 1 . . . A 26 PHE H . 19215 1 164 . 1 1 26 26 PHE HA H 1 4.110 0.020 . 1 . . . A 26 PHE HA . 19215 1 165 . 1 1 26 26 PHE C C 13 176.181 0.3 . 1 . . . A 26 PHE C . 19215 1 166 . 1 1 26 26 PHE CA C 13 58.627 0.3 . 1 . . . A 26 PHE CA . 19215 1 167 . 1 1 26 26 PHE CB C 13 39.793 0.3 . 1 . . . A 26 PHE CB . 19215 1 168 . 1 1 26 26 PHE N N 15 118.488 0.3 . 1 . . . A 26 PHE N . 19215 1 169 . 1 1 27 27 LEU H H 1 7.290 0.020 . 1 . . . A 27 LEU H . 19215 1 170 . 1 1 27 27 LEU HA H 1 4.523 0.020 . 1 . . . A 27 LEU HA . 19215 1 171 . 1 1 27 27 LEU HB2 H 1 1.824 0.020 . 1 . . . A 27 LEU HB2 . 19215 1 172 . 1 1 27 27 LEU HB3 H 1 1.824 0.020 . 1 . . . A 27 LEU HB3 . 19215 1 173 . 1 1 27 27 LEU HD11 H 1 0.827 0.020 . 1 . . . A 27 LEU HD11 . 19215 1 174 . 1 1 27 27 LEU HD12 H 1 0.827 0.020 . 1 . . . A 27 LEU HD12 . 19215 1 175 . 1 1 27 27 LEU HD13 H 1 0.827 0.020 . 1 . . . A 27 LEU HD13 . 19215 1 176 . 1 1 27 27 LEU HD21 H 1 0.827 0.020 . 1 . . . A 27 LEU HD21 . 19215 1 177 . 1 1 27 27 LEU HD22 H 1 0.827 0.020 . 1 . . . A 27 LEU HD22 . 19215 1 178 . 1 1 27 27 LEU HD23 H 1 0.827 0.020 . 1 . . . A 27 LEU HD23 . 19215 1 179 . 1 1 27 27 LEU C C 13 177.752 0.3 . 1 . . . A 27 LEU C . 19215 1 180 . 1 1 27 27 LEU CA C 13 54.679 0.3 . 1 . . . A 27 LEU CA . 19215 1 181 . 1 1 27 27 LEU CB C 13 41.333 0.3 . 1 . . . A 27 LEU CB . 19215 1 182 . 1 1 27 27 LEU N N 15 118.525 0.3 . 1 . . . A 27 LEU N . 19215 1 183 . 1 1 28 28 GLY H H 1 8.242 0.020 . 1 . . . A 28 GLY H . 19215 1 184 . 1 1 28 28 GLY HA2 H 1 4.079 0.020 . 1 . . . A 28 GLY HA2 . 19215 1 185 . 1 1 28 28 GLY HA3 H 1 4.079 0.020 . 1 . . . A 28 GLY HA3 . 19215 1 186 . 1 1 28 28 GLY C C 13 174.630 0.3 . 1 . . . A 28 GLY C . 19215 1 187 . 1 1 28 28 GLY CA C 13 45.374 0.3 . 1 . . . A 28 GLY CA . 19215 1 188 . 1 1 28 28 GLY N N 15 108.823 0.3 . 1 . . . A 28 GLY N . 19215 1 189 . 1 1 29 29 SER H H 1 8.310 0.020 . 1 . . . A 29 SER H . 19215 1 190 . 1 1 29 29 SER HA H 1 4.626 0.020 . 1 . . . A 29 SER HA . 19215 1 191 . 1 1 29 29 SER HB2 H 1 3.858 0.020 . 2 . . . A 29 SER HB2 . 19215 1 192 . 1 1 29 29 SER HB3 H 1 3.903 0.020 . 2 . . . A 29 SER HB3 . 19215 1 193 . 1 1 29 29 SER C C 13 175.312 0.3 . 1 . . . A 29 SER C . 19215 1 194 . 1 1 29 29 SER CA C 13 57.992 0.3 . 1 . . . A 29 SER CA . 19215 1 195 . 1 1 29 29 SER CB C 13 63.605 0.3 . 1 . . . A 29 SER CB . 19215 1 196 . 1 1 29 29 SER N N 15 116.210 0.3 . 1 . . . A 29 SER N . 19215 1 197 . 1 1 30 30 SER H H 1 8.593 0.020 . 1 . . . A 30 SER H . 19215 1 198 . 1 1 30 30 SER HA H 1 4.597 0.020 . 1 . . . A 30 SER HA . 19215 1 199 . 1 1 30 30 SER HB2 H 1 3.903 0.020 . 2 . . . A 30 SER HB2 . 19215 1 200 . 1 1 30 30 SER HB3 H 1 3.923 0.020 . 2 . . . A 30 SER HB3 . 19215 1 201 . 1 1 30 30 SER C C 13 175.479 0.3 . 1 . . . A 30 SER C . 19215 1 202 . 1 1 30 30 SER CA C 13 58.582 0.3 . 1 . . . A 30 SER CA . 19215 1 203 . 1 1 30 30 SER CB C 13 63.605 0.3 . 1 . . . A 30 SER CB . 19215 1 204 . 1 1 30 30 SER N N 15 118.892 0.3 . 1 . . . A 30 SER N . 19215 1 205 . 1 1 31 31 GLY H H 1 8.584 0.020 . 1 . . . A 31 GLY H . 19215 1 206 . 1 1 31 31 GLY HA2 H 1 4.059 0.020 . 1 . . . A 31 GLY HA2 . 19215 1 207 . 1 1 31 31 GLY HA3 H 1 4.059 0.020 . 1 . . . A 31 GLY HA3 . 19215 1 208 . 1 1 31 31 GLY C C 13 174.428 0.3 . 1 . . . A 31 GLY C . 19215 1 209 . 1 1 31 31 GLY CA C 13 45.456 0.3 . 1 . . . A 31 GLY CA . 19215 1 210 . 1 1 31 31 GLY N N 15 111.354 0.3 . 1 . . . A 31 GLY N . 19215 1 211 . 1 1 32 32 ASN H H 1 8.393 0.020 . 1 . . . A 32 ASN H . 19215 1 212 . 1 1 32 32 ASN HA H 1 4.817 0.020 . 1 . . . A 32 ASN HA . 19215 1 213 . 1 1 32 32 ASN HB2 H 1 2.826 0.020 . 2 . . . A 32 ASN HB2 . 19215 1 214 . 1 1 32 32 ASN HB3 H 1 2.888 0.020 . 2 . . . A 32 ASN HB3 . 19215 1 215 . 1 1 32 32 ASN HD21 H 1 7.663 0.020 . 1 . . . A 32 ASN HD21 . 19215 1 216 . 1 1 32 32 ASN HD22 H 1 6.972 0.020 . 1 . . . A 32 ASN HD22 . 19215 1 217 . 1 1 32 32 ASN C C 13 175.928 0.3 . 1 . . . A 32 ASN C . 19215 1 218 . 1 1 32 32 ASN CA C 13 53.215 0.3 . 1 . . . A 32 ASN CA . 19215 1 219 . 1 1 32 32 ASN CB C 13 38.780 0.3 . 1 . . . A 32 ASN CB . 19215 1 220 . 1 1 32 32 ASN N N 15 119.486 0.3 . 1 . . . A 32 ASN N . 19215 1 221 . 1 1 33 33 GLU H H 1 8.711 0.020 . 1 . . . A 33 GLU H . 19215 1 222 . 1 1 33 33 GLU HA H 1 4.271 0.020 . 1 . . . A 33 GLU HA . 19215 1 223 . 1 1 33 33 GLU HB2 H 1 2.059 0.020 . 2 . . . A 33 GLU HB2 . 19215 1 224 . 1 1 33 33 GLU HB3 H 1 2.141 0.020 . 2 . . . A 33 GLU HB3 . 19215 1 225 . 1 1 33 33 GLU HG2 H 1 2.361 0.020 . 1 . . . A 33 GLU HG2 . 19215 1 226 . 1 1 33 33 GLU HG3 H 1 2.361 0.020 . 1 . . . A 33 GLU HG3 . 19215 1 227 . 1 1 33 33 GLU CA C 13 57.426 0.3 . 1 . . . A 33 GLU CA . 19215 1 228 . 1 1 33 33 GLU CB C 13 29.328 0.3 . 1 . . . A 33 GLU CB . 19215 1 229 . 1 1 33 33 GLU N N 15 122.031 0.3 . 1 . . . A 33 GLU N . 19215 1 230 . 1 1 34 34 GLN H H 1 8.438 0.020 . 1 . . . A 34 GLN H . 19215 1 231 . 1 1 34 34 GLN HA H 1 4.271 0.020 . 1 . . . A 34 GLN HA . 19215 1 232 . 1 1 34 34 GLN HB2 H 1 2.083 0.020 . 1 . . . A 34 GLN HB2 . 19215 1 233 . 1 1 34 34 GLN HB3 H 1 2.083 0.020 . 1 . . . A 34 GLN HB3 . 19215 1 234 . 1 1 34 34 GLN HG2 H 1 2.420 0.020 . 1 . . . A 34 GLN HG2 . 19215 1 235 . 1 1 34 34 GLN HG3 H 1 2.420 0.020 . 1 . . . A 34 GLN HG3 . 19215 1 236 . 1 1 34 34 GLN HE21 H 1 7.673 0.020 . 1 . . . A 34 GLN HE21 . 19215 1 237 . 1 1 34 34 GLN HE22 H 1 6.922 0.020 . 1 . . . A 34 GLN HE22 . 19215 1 238 . 1 1 34 34 GLN CA C 13 56.226 0.3 . 1 . . . A 34 GLN CA . 19215 1 239 . 1 1 34 34 GLN CB C 13 28.839 0.3 . 1 . . . A 34 GLN CB . 19215 1 240 . 1 1 34 34 GLN N N 15 120.866 0.3 . 1 . . . A 34 GLN N . 19215 1 241 . 1 1 34 34 GLN NE2 N 15 113.072 0.3 . 1 . . . A 34 GLN NE2 . 19215 1 242 . 1 1 35 35 GLU H H 1 8.424 0.020 . 1 . . . A 35 GLU H . 19215 1 243 . 1 1 35 35 GLU HA H 1 4.319 0.020 . 1 . . . A 35 GLU HA . 19215 1 244 . 1 1 35 35 GLU HB2 H 1 2.055 0.020 . 2 . . . A 35 GLU HB2 . 19215 1 245 . 1 1 35 35 GLU HB3 H 1 2.113 0.020 . 2 . . . A 35 GLU HB3 . 19215 1 246 . 1 1 35 35 GLU HG2 H 1 2.353 0.020 . 1 . . . A 35 GLU HG2 . 19215 1 247 . 1 1 35 35 GLU HG3 H 1 2.353 0.020 . 1 . . . A 35 GLU HG3 . 19215 1 248 . 1 1 35 35 GLU C C 13 177.176 0.3 . 1 . . . A 35 GLU C . 19215 1 249 . 1 1 35 35 GLU CA C 13 56.996 0.3 . 1 . . . A 35 GLU CA . 19215 1 250 . 1 1 35 35 GLU CB C 13 29.545 0.3 . 1 . . . A 35 GLU CB . 19215 1 251 . 1 1 35 35 GLU N N 15 122.323 0.3 . 1 . . . A 35 GLU N . 19215 1 252 . 1 1 36 36 LEU H H 1 8.342 0.020 . 1 . . . A 36 LEU H . 19215 1 253 . 1 1 36 36 LEU HA H 1 4.319 0.020 . 1 . . . A 36 LEU HA . 19215 1 254 . 1 1 36 36 LEU HB2 H 1 2.064 0.020 . 2 . . . A 36 LEU HB2 . 19215 1 255 . 1 1 36 36 LEU HB3 H 1 2.324 0.020 . 2 . . . A 36 LEU HB3 . 19215 1 256 . 1 1 36 36 LEU HG H 1 1.719 0.020 . 1 . . . A 36 LEU HG . 19215 1 257 . 1 1 36 36 LEU HD11 H 1 0.921 0.020 . 1 . . . A 36 LEU HD11 . 19215 1 258 . 1 1 36 36 LEU HD12 H 1 0.921 0.020 . 1 . . . A 36 LEU HD12 . 19215 1 259 . 1 1 36 36 LEU HD13 H 1 0.921 0.020 . 1 . . . A 36 LEU HD13 . 19215 1 260 . 1 1 36 36 LEU HD21 H 1 0.921 0.020 . 1 . . . A 36 LEU HD21 . 19215 1 261 . 1 1 36 36 LEU HD22 H 1 0.921 0.020 . 1 . . . A 36 LEU HD22 . 19215 1 262 . 1 1 36 36 LEU HD23 H 1 0.921 0.020 . 1 . . . A 36 LEU HD23 . 19215 1 263 . 1 1 36 36 LEU CA C 13 55.898 0.3 . 1 . . . A 36 LEU CA . 19215 1 264 . 1 1 36 36 LEU CB C 13 41.496 0.3 . 1 . . . A 36 LEU CB . 19215 1 265 . 1 1 36 36 LEU N N 15 122.904 0.3 . 1 . . . A 36 LEU N . 19215 1 266 . 1 1 38 38 GLU H H 1 8.342 0.020 . 1 . . . A 38 GLU H . 19215 1 267 . 1 1 38 38 GLU HA H 1 4.396 0.020 . 1 . . . A 38 GLU HA . 19215 1 268 . 1 1 38 38 GLU HB2 H 1 2.329 0.020 . 2 . . . A 38 GLU HB2 . 19215 1 269 . 1 1 38 38 GLU HB3 H 1 2.373 0.020 . 2 . . . A 38 GLU HB3 . 19215 1 270 . 1 1 38 38 GLU HG2 H 1 2.113 0.020 . 2 . . . A 38 GLU HG2 . 19215 1 271 . 1 1 38 38 GLU HG3 H 1 2.062 0.020 . 2 . . . A 38 GLU HG3 . 19215 1 272 . 1 1 38 38 GLU C C 13 177.318 0.3 . 1 . . . A 38 GLU C . 19215 1 273 . 1 1 38 38 GLU CA C 13 56.366 0.3 . 1 . . . A 38 GLU CA . 19215 1 274 . 1 1 38 38 GLU CB C 13 29.328 0.3 . 1 . . . A 38 GLU CB . 19215 1 275 . 1 1 38 38 GLU N N 15 121.931 0.3 . 1 . . . A 38 GLU N . 19215 1 276 . 1 1 39 39 LEU H H 1 8.342 0.020 . 1 . . . A 39 LEU H . 19215 1 277 . 1 1 39 39 LEU HA H 1 4.348 0.020 . 1 . . . A 39 LEU HA . 19215 1 278 . 1 1 39 39 LEU HB2 H 1 2.333 0.020 . 2 . . . A 39 LEU HB2 . 19215 1 279 . 1 1 39 39 LEU HB3 H 1 2.093 0.020 . 2 . . . A 39 LEU HB3 . 19215 1 280 . 1 1 39 39 LEU HG H 1 1.747 0.020 . 1 . . . A 39 LEU HG . 19215 1 281 . 1 1 39 39 LEU HD11 H 1 0.941 0.020 . 1 . . . A 39 LEU HD11 . 19215 1 282 . 1 1 39 39 LEU HD12 H 1 0.941 0.020 . 1 . . . A 39 LEU HD12 . 19215 1 283 . 1 1 39 39 LEU HD13 H 1 0.941 0.020 . 1 . . . A 39 LEU HD13 . 19215 1 284 . 1 1 39 39 LEU HD21 H 1 0.941 0.020 . 1 . . . A 39 LEU HD21 . 19215 1 285 . 1 1 39 39 LEU HD22 H 1 0.941 0.020 . 1 . . . A 39 LEU HD22 . 19215 1 286 . 1 1 39 39 LEU HD23 H 1 0.941 0.020 . 1 . . . A 39 LEU HD23 . 19215 1 287 . 1 1 39 39 LEU CA C 13 56.833 0.3 . 1 . . . A 39 LEU CA . 19215 1 288 . 1 1 39 39 LEU CB C 13 41.387 0.3 . 1 . . . A 39 LEU CB . 19215 1 289 . 1 1 39 39 LEU N N 15 123.317 0.3 . 1 . . . A 39 LEU N . 19215 1 290 . 1 1 40 40 ASP H H 1 8.530 0.020 . 1 . . . A 40 ASP H . 19215 1 291 . 1 1 40 40 ASP HA H 1 4.571 0.020 . 1 . . . A 40 ASP HA . 19215 1 292 . 1 1 40 40 ASP HB2 H 1 2.786 0.020 . 1 . . . A 40 ASP HB2 . 19215 1 293 . 1 1 40 40 ASP HB3 H 1 2.786 0.020 . 1 . . . A 40 ASP HB3 . 19215 1 294 . 1 1 40 40 ASP CA C 13 55.589 0.3 . 1 . . . A 40 ASP CA . 19215 1 295 . 1 1 40 40 ASP N N 15 119.726 0.3 . 1 . . . A 40 ASP N . 19215 1 296 . 1 1 41 41 LYS H H 1 8.145 0.020 . 1 . . . A 41 LYS H . 19215 1 297 . 1 1 41 41 LYS HA H 1 4.164 0.020 . 1 . . . A 41 LYS HA . 19215 1 298 . 1 1 41 41 LYS CA C 13 58.220 0.3 . 1 . . . A 41 LYS CA . 19215 1 299 . 1 1 41 41 LYS N N 15 121.200 0.3 . 1 . . . A 41 LYS N . 19215 1 300 . 1 1 42 42 TRP H H 1 8.025 0.020 . 1 . . . A 42 TRP H . 19215 1 301 . 1 1 42 42 TRP HA H 1 4.597 0.020 . 1 . . . A 42 TRP HA . 19215 1 302 . 1 1 42 42 TRP HB2 H 1 3.313 0.020 . 2 . . . A 42 TRP HB2 . 19215 1 303 . 1 1 42 42 TRP HB3 H 1 3.476 0.020 . 2 . . . A 42 TRP HB3 . 19215 1 304 . 1 1 42 42 TRP HE1 H 1 10.718 0.020 . 1 . . . A 42 TRP HE1 . 19215 1 305 . 1 1 42 42 TRP C C 13 177.641 0.3 . 1 . . . A 42 TRP C . 19215 1 306 . 1 1 42 42 TRP CA C 13 58.561 0.3 . 1 . . . A 42 TRP CA . 19215 1 307 . 1 1 42 42 TRP CB C 13 28.839 0.3 . 1 . . . A 42 TRP CB . 19215 1 308 . 1 1 42 42 TRP N N 15 120.615 0.3 . 1 . . . A 42 TRP N . 19215 1 309 . 1 1 42 42 TRP NE1 N 15 130.765 0.3 . 1 . . . A 42 TRP NE1 . 19215 1 310 . 1 1 43 43 ALA H H 1 8.199 0.020 . 1 . . . A 43 ALA H . 19215 1 311 . 1 1 43 43 ALA HA H 1 4.140 0.020 . 1 . . . A 43 ALA HA . 19215 1 312 . 1 1 43 43 ALA HB1 H 1 1.579 0.020 . 1 . . . A 43 ALA HB1 . 19215 1 313 . 1 1 43 43 ALA HB2 H 1 1.579 0.020 . 1 . . . A 43 ALA HB2 . 19215 1 314 . 1 1 43 43 ALA HB3 H 1 1.579 0.020 . 1 . . . A 43 ALA HB3 . 19215 1 315 . 1 1 43 43 ALA C C 13 172.776 0.3 . 1 . . . A 43 ALA C . 19215 1 316 . 1 1 43 43 ALA CA C 13 54.864 0.3 . 1 . . . A 43 ALA CA . 19215 1 317 . 1 1 43 43 ALA CB C 13 17.974 0.3 . 1 . . . A 43 ALA CB . 19215 1 318 . 1 1 43 43 ALA N N 15 122.056 0.3 . 1 . . . A 43 ALA N . 19215 1 319 . 1 1 44 44 SER H H 1 8.210 0.020 . 1 . . . A 44 SER H . 19215 1 320 . 1 1 44 44 SER HA H 1 4.376 0.020 . 1 . . . A 44 SER HA . 19215 1 321 . 1 1 44 44 SER HB2 H 1 3.903 0.020 . 2 . . . A 44 SER HB2 . 19215 1 322 . 1 1 44 44 SER HB3 H 1 3.980 0.020 . 2 . . . A 44 SER HB3 . 19215 1 323 . 1 1 44 44 SER C C 13 176.767 0.3 . 1 . . . A 44 SER C . 19215 1 324 . 1 1 44 44 SER CA C 13 60.980 0.3 . 1 . . . A 44 SER CA . 19215 1 325 . 1 1 44 44 SER CB C 13 62.410 0.3 . 1 . . . A 44 SER CB . 19215 1 326 . 1 1 44 44 SER N N 15 113.378 0.3 . 1 . . . A 44 SER N . 19215 1 327 . 1 1 45 45 LEU H H 1 7.906 0.020 . 1 . . . A 45 LEU H . 19215 1 328 . 1 1 45 45 LEU HA H 1 4.194 0.020 . 1 . . . A 45 LEU HA . 19215 1 329 . 1 1 45 45 LEU HB2 H 1 1.747 0.020 . 1 . . . A 45 LEU HB2 . 19215 1 330 . 1 1 45 45 LEU HB3 H 1 1.747 0.020 . 1 . . . A 45 LEU HB3 . 19215 1 331 . 1 1 45 45 LEU HD11 H 1 0.839 0.020 . 1 . . . A 45 LEU HD11 . 19215 1 332 . 1 1 45 45 LEU HD12 H 1 0.839 0.020 . 1 . . . A 45 LEU HD12 . 19215 1 333 . 1 1 45 45 LEU HD13 H 1 0.839 0.020 . 1 . . . A 45 LEU HD13 . 19215 1 334 . 1 1 45 45 LEU HD21 H 1 0.774 0.020 . 1 . . . A 45 LEU HD21 . 19215 1 335 . 1 1 45 45 LEU HD22 H 1 0.774 0.020 . 1 . . . A 45 LEU HD22 . 19215 1 336 . 1 1 45 45 LEU HD23 H 1 0.774 0.020 . 1 . . . A 45 LEU HD23 . 19215 1 337 . 1 1 45 45 LEU CA C 13 57.606 0.3 . 1 . . . A 45 LEU CA . 19215 1 338 . 1 1 45 45 LEU CB C 13 41.170 0.3 . 1 . . . A 45 LEU CB . 19215 1 339 . 1 1 45 45 LEU N N 15 123.425 0.3 . 1 . . . A 45 LEU N . 19215 1 340 . 1 1 46 46 TRP H H 1 8.043 0.020 . 1 . . . A 46 TRP H . 19215 1 341 . 1 1 46 46 TRP HA H 1 4.655 0.020 . 1 . . . A 46 TRP HA . 19215 1 342 . 1 1 46 46 TRP HB2 H 1 3.450 0.020 . 2 . . . A 46 TRP HB2 . 19215 1 343 . 1 1 46 46 TRP HB3 H 1 3.320 0.020 . 2 . . . A 46 TRP HB3 . 19215 1 344 . 1 1 46 46 TRP HE1 H 1 10.398 0.020 . 1 . . . A 46 TRP HE1 . 19215 1 345 . 1 1 46 46 TRP C C 13 177.838 0.3 . 1 . . . A 46 TRP C . 19215 1 346 . 1 1 46 46 TRP CA C 13 58.907 0.3 . 1 . . . A 46 TRP CA . 19215 1 347 . 1 1 46 46 TRP CB C 13 29.219 0.3 . 1 . . . A 46 TRP CB . 19215 1 348 . 1 1 46 46 TRP N N 15 118.572 0.3 . 1 . . . A 46 TRP N . 19215 1 349 . 1 1 46 46 TRP NE1 N 15 130.537 0.3 . 1 . . . A 46 TRP NE1 . 19215 1 350 . 1 1 47 47 ASN H H 1 8.174 0.020 . 1 . . . A 47 ASN H . 19215 1 351 . 1 1 47 47 ASN HA H 1 4.626 0.020 . 1 . . . A 47 ASN HA . 19215 1 352 . 1 1 47 47 ASN HB2 H 1 2.879 0.020 . 2 . . . A 47 ASN HB2 . 19215 1 353 . 1 1 47 47 ASN HB3 H 1 2.945 0.020 . 2 . . . A 47 ASN HB3 . 19215 1 354 . 1 1 47 47 ASN HD21 H 1 7.716 0.020 . 1 . . . A 47 ASN HD21 . 19215 1 355 . 1 1 47 47 ASN HD22 H 1 7.100 0.020 . 1 . . . A 47 ASN HD22 . 19215 1 356 . 1 1 47 47 ASN C C 13 176.904 0.3 . 1 . . . A 47 ASN C . 19215 1 357 . 1 1 47 47 ASN CA C 13 55.045 0.3 . 1 . . . A 47 ASN CA . 19215 1 358 . 1 1 47 47 ASN CB C 13 38.563 0.3 . 1 . . . A 47 ASN CB . 19215 1 359 . 1 1 47 47 ASN N N 15 116.564 0.3 . 1 . . . A 47 ASN N . 19215 1 360 . 1 1 47 47 ASN ND2 N 15 113.344 0.3 . 1 . . . A 47 ASN ND2 . 19215 1 361 . 1 1 48 48 TRP H H 1 8.145 0.020 . 1 . . . A 48 TRP H . 19215 1 362 . 1 1 48 48 TRP HA H 1 4.367 0.020 . 1 . . . A 48 TRP HA . 19215 1 363 . 1 1 48 48 TRP HB3 H 1 3.380 0.020 . 1 . . . A 48 TRP HB3 . 19215 1 364 . 1 1 48 48 TRP HE1 H 1 10.531 0.020 . 1 . . . A 48 TRP HE1 . 19215 1 365 . 1 1 48 48 TRP CA C 13 59.517 0.3 . 1 . . . A 48 TRP CA . 19215 1 366 . 1 1 48 48 TRP CB C 13 28.893 0.3 . 1 . . . A 48 TRP CB . 19215 1 367 . 1 1 48 48 TRP N N 15 121.421 0.3 . 1 . . . A 48 TRP N . 19215 1 368 . 1 1 48 48 TRP NE1 N 15 130.993 0.3 . 1 . . . A 48 TRP NE1 . 19215 1 369 . 1 1 49 49 PHE H H 1 8.036 0.020 . 1 . . . A 49 PHE H . 19215 1 370 . 1 1 49 49 PHE HA H 1 4.252 0.020 . 1 . . . A 49 PHE HA . 19215 1 371 . 1 1 49 49 PHE HB2 H 1 3.042 0.020 . 2 . . . A 49 PHE HB2 . 19215 1 372 . 1 1 49 49 PHE HB3 H 1 3.177 0.020 . 2 . . . A 49 PHE HB3 . 19215 1 373 . 1 1 49 49 PHE C C 13 175.565 0.3 . 1 . . . A 49 PHE C . 19215 1 374 . 1 1 49 49 PHE CA C 13 58.887 0.3 . 1 . . . A 49 PHE CA . 19215 1 375 . 1 1 49 49 PHE CB C 13 38.671 0.3 . 1 . . . A 49 PHE CB . 19215 1 376 . 1 1 49 49 PHE N N 15 118.299 0.3 . 1 . . . A 49 PHE N . 19215 1 377 . 1 1 50 50 ASN H H 1 7.795 0.020 . 1 . . . A 50 ASN H . 19215 1 378 . 1 1 50 50 ASN HA H 1 4.626 0.020 . 1 . . . A 50 ASN HA . 19215 1 379 . 1 1 50 50 ASN HB2 H 1 2.655 0.020 . 2 . . . A 50 ASN HB2 . 19215 1 380 . 1 1 50 50 ASN HB3 H 1 2.888 0.020 . 2 . . . A 50 ASN HB3 . 19215 1 381 . 1 1 50 50 ASN C C 13 176.439 0.3 . 1 . . . A 50 ASN C . 19215 1 382 . 1 1 50 50 ASN CA C 13 53.215 0.3 . 1 . . . A 50 ASN CA . 19215 1 383 . 1 1 50 50 ASN CB C 13 38.128 0.3 . 1 . . . A 50 ASN CB . 19215 1 384 . 1 1 50 50 ASN N N 15 118.836 0.3 . 1 . . . A 50 ASN N . 19215 1 385 . 1 1 51 51 ILE H H 1 8.147 0.020 . 1 . . . A 51 ILE H . 19215 1 386 . 1 1 51 51 ILE HA H 1 3.791 0.020 . 1 . . . A 51 ILE HA . 19215 1 387 . 1 1 51 51 ILE HB H 1 1.720 0.020 . 1 . . . A 51 ILE HB . 19215 1 388 . 1 1 51 51 ILE HG12 H 1 1.215 0.020 . 2 . . . A 51 ILE HG12 . 19215 1 389 . 1 1 51 51 ILE HG13 H 1 1.452 0.020 . 2 . . . A 51 ILE HG13 . 19215 1 390 . 1 1 51 51 ILE HG21 H 1 0.766 0.020 . 1 . . . A 51 ILE HG21 . 19215 1 391 . 1 1 51 51 ILE HG22 H 1 0.766 0.020 . 1 . . . A 51 ILE HG22 . 19215 1 392 . 1 1 51 51 ILE HG23 H 1 0.766 0.020 . 1 . . . A 51 ILE HG23 . 19215 1 393 . 1 1 51 51 ILE C C 13 177.202 0.3 . 1 . . . A 51 ILE C . 19215 1 394 . 1 1 51 51 ILE CA C 13 63.102 0.3 . 1 . . . A 51 ILE CA . 19215 1 395 . 1 1 51 51 ILE CB C 13 37.367 0.3 . 1 . . . A 51 ILE CB . 19215 1 396 . 1 1 51 51 ILE N N 15 120.218 0.3 . 1 . . . A 51 ILE N . 19215 1 397 . 1 1 52 52 THR H H 1 8.009 0.020 . 1 . . . A 52 THR H . 19215 1 398 . 1 1 52 52 THR HA H 1 4.031 0.020 . 1 . . . A 52 THR HA . 19215 1 399 . 1 1 52 52 THR C C 13 176.095 0.3 . 1 . . . A 52 THR C . 19215 1 400 . 1 1 52 52 THR CA C 13 65.148 0.3 . 1 . . . A 52 THR CA . 19215 1 401 . 1 1 52 52 THR CB C 13 68.277 0.3 . 1 . . . A 52 THR CB . 19215 1 402 . 1 1 52 52 THR CG2 C 13 22.227 0.3 . 1 . . . A 52 THR CG2 . 19215 1 403 . 1 1 52 52 THR N N 15 115.352 0.3 . 1 . . . A 52 THR N . 19215 1 404 . 1 1 53 53 ASN H H 1 7.972 0.020 . 1 . . . A 53 ASN H . 19215 1 405 . 1 1 53 53 ASN HA H 1 4.636 0.020 . 1 . . . A 53 ASN HA . 19215 1 406 . 1 1 53 53 ASN HB2 H 1 2.765 0.020 . 1 . . . A 53 ASN HB2 . 19215 1 407 . 1 1 53 53 ASN HB3 H 1 2.765 0.020 . 1 . . . A 53 ASN HB3 . 19215 1 408 . 1 1 53 53 ASN HD21 H 1 7.633 0.020 . 1 . . . A 53 ASN HD21 . 19215 1 409 . 1 1 53 53 ASN HD22 H 1 6.860 0.020 . 1 . . . A 53 ASN HD22 . 19215 1 410 . 1 1 53 53 ASN C C 13 176.530 0.3 . 1 . . . A 53 ASN C . 19215 1 411 . 1 1 53 53 ASN CA C 13 54.457 0.3 . 1 . . . A 53 ASN CA . 19215 1 412 . 1 1 53 53 ASN CB C 13 37.802 0.3 . 1 . . . A 53 ASN CB . 19215 1 413 . 1 1 53 53 ASN N N 15 119.874 0.3 . 1 . . . A 53 ASN N . 19215 1 414 . 1 1 53 53 ASN ND2 N 15 112.731 0.3 . 1 . . . A 53 ASN ND2 . 19215 1 415 . 1 1 54 54 TRP H H 1 7.897 0.020 . 1 . . . A 54 TRP H . 19215 1 416 . 1 1 54 54 TRP HA H 1 4.655 0.020 . 1 . . . A 54 TRP HA . 19215 1 417 . 1 1 54 54 TRP HB3 H 1 3.349 0.020 . 1 . . . A 54 TRP HB3 . 19215 1 418 . 1 1 54 54 TRP HE1 H 1 10.353 0.020 . 1 . . . A 54 TRP HE1 . 19215 1 419 . 1 1 54 54 TRP CA C 13 58.643 0.3 . 1 . . . A 54 TRP CA . 19215 1 420 . 1 1 54 54 TRP CB C 13 29.165 0.3 . 1 . . . A 54 TRP CB . 19215 1 421 . 1 1 54 54 TRP N N 15 120.192 0.3 . 1 . . . A 54 TRP N . 19215 1 422 . 1 1 54 54 TRP NE1 N 15 130.290 0.3 . 1 . . . A 54 TRP NE1 . 19215 1 423 . 1 1 55 55 LEU H H 1 7.931 0.020 . 1 . . . A 55 LEU H . 19215 1 424 . 1 1 55 55 LEU HA H 1 4.088 0.020 . 1 . . . A 55 LEU HA . 19215 1 425 . 1 1 55 55 LEU HB2 H 1 1.444 0.020 . 2 . . . A 55 LEU HB2 . 19215 1 426 . 1 1 55 55 LEU HB3 H 1 1.684 0.020 . 2 . . . A 55 LEU HB3 . 19215 1 427 . 1 1 55 55 LEU HD11 H 1 0.770 0.020 . 1 . . . A 55 LEU HD11 . 19215 1 428 . 1 1 55 55 LEU HD12 H 1 0.770 0.020 . 1 . . . A 55 LEU HD12 . 19215 1 429 . 1 1 55 55 LEU HD13 H 1 0.770 0.020 . 1 . . . A 55 LEU HD13 . 19215 1 430 . 1 1 55 55 LEU HD21 H 1 0.856 0.020 . 1 . . . A 55 LEU HD21 . 19215 1 431 . 1 1 55 55 LEU HD22 H 1 0.856 0.020 . 1 . . . A 55 LEU HD22 . 19215 1 432 . 1 1 55 55 LEU HD23 H 1 0.856 0.020 . 1 . . . A 55 LEU HD23 . 19215 1 433 . 1 1 55 55 LEU C C 13 177.975 0.3 . 1 . . . A 55 LEU C . 19215 1 434 . 1 1 55 55 LEU CA C 13 56.470 0.3 . 1 . . . A 55 LEU CA . 19215 1 435 . 1 1 55 55 LEU CB C 13 40.898 0.3 . 1 . . . A 55 LEU CB . 19215 1 436 . 1 1 55 55 LEU N N 15 118.354 0.3 . 1 . . . A 55 LEU N . 19215 1 437 . 1 1 56 56 TRP H H 1 7.665 0.020 . 1 . . . A 56 TRP H . 19215 1 438 . 1 1 56 56 TRP HA H 1 4.367 0.020 . 1 . . . A 56 TRP HA . 19215 1 439 . 1 1 56 56 TRP HB2 H 1 3.234 0.020 . 2 . . . A 56 TRP HB2 . 19215 1 440 . 1 1 56 56 TRP HB3 H 1 3.344 0.020 . 2 . . . A 56 TRP HB3 . 19215 1 441 . 1 1 56 56 TRP HE1 H 1 10.301 0.020 . 1 . . . A 56 TRP HE1 . 19215 1 442 . 1 1 56 56 TRP C C 13 176.863 0.3 . 1 . . . A 56 TRP C . 19215 1 443 . 1 1 56 56 TRP CA C 13 59.070 0.3 . 1 . . . A 56 TRP CA . 19215 1 444 . 1 1 56 56 TRP CB C 13 28.839 0.3 . 1 . . . A 56 TRP CB . 19215 1 445 . 1 1 56 56 TRP N N 15 118.335 0.3 . 1 . . . A 56 TRP N . 19215 1 446 . 1 1 56 56 TRP NE1 N 15 130.740 0.3 . 1 . . . A 56 TRP NE1 . 19215 1 447 . 1 1 57 57 TYR H H 1 7.578 0.020 . 1 . . . A 57 TYR H . 19215 1 448 . 1 1 57 57 TYR HA H 1 4.172 0.020 . 1 . . . A 57 TYR HA . 19215 1 449 . 1 1 57 57 TYR HB2 H 1 3.062 0.020 . 2 . . . A 57 TYR HB2 . 19215 1 450 . 1 1 57 57 TYR HB3 H 1 2.957 0.020 . 2 . . . A 57 TYR HB3 . 19215 1 451 . 1 1 57 57 TYR C C 13 176.085 0.3 . 1 . . . A 57 TYR C . 19215 1 452 . 1 1 57 57 TYR CA C 13 59.865 0.3 . 1 . . . A 57 TYR CA . 19215 1 453 . 1 1 57 57 TYR CB C 13 38.563 0.3 . 1 . . . A 57 TYR CB . 19215 1 454 . 1 1 57 57 TYR N N 15 116.808 0.3 . 1 . . . A 57 TYR N . 19215 1 455 . 1 1 58 58 ILE H H 1 7.586 0.020 . 1 . . . A 58 ILE H . 19215 1 456 . 1 1 58 58 ILE HA H 1 4.265 0.020 . 1 . . . A 58 ILE HA . 19215 1 457 . 1 1 58 58 ILE HB H 1 2.061 0.020 . 1 . . . A 58 ILE HB . 19215 1 458 . 1 1 58 58 ILE HG12 H 1 1.325 0.020 . 2 . . . A 58 ILE HG12 . 19215 1 459 . 1 1 58 58 ILE HG13 H 1 1.566 0.020 . 2 . . . A 58 ILE HG13 . 19215 1 460 . 1 1 58 58 ILE HG21 H 1 0.905 0.020 . 1 . . . A 58 ILE HG21 . 19215 1 461 . 1 1 58 58 ILE HG22 H 1 0.905 0.020 . 1 . . . A 58 ILE HG22 . 19215 1 462 . 1 1 58 58 ILE HG23 H 1 0.905 0.020 . 1 . . . A 58 ILE HG23 . 19215 1 463 . 1 1 58 58 ILE HD11 H 1 0.864 0.020 . 1 . . . A 58 ILE HD11 . 19215 1 464 . 1 1 58 58 ILE HD12 H 1 0.864 0.020 . 1 . . . A 58 ILE HD12 . 19215 1 465 . 1 1 58 58 ILE HD13 H 1 0.864 0.020 . 1 . . . A 58 ILE HD13 . 19215 1 466 . 1 1 58 58 ILE C C 13 174.782 0.3 . 1 . . . A 58 ILE C . 19215 1 467 . 1 1 58 58 ILE CA C 13 60.940 0.3 . 1 . . . A 58 ILE CA . 19215 1 468 . 1 1 58 58 ILE CB C 13 38.182 0.3 . 1 . . . A 58 ILE CB . 19215 1 469 . 1 1 58 58 ILE N N 15 115.526 0.3 . 1 . . . A 58 ILE N . 19215 1 470 . 1 1 59 59 LYS H H 1 7.481 0.020 . 1 . . . A 59 LYS H . 19215 1 471 . 1 1 59 59 LYS HA H 1 4.152 0.020 . 1 . . . A 59 LYS HA . 19215 1 472 . 1 1 59 59 LYS HB2 H 1 1.749 0.020 . 2 . . . A 59 LYS HB2 . 19215 1 473 . 1 1 59 59 LYS HB3 H 1 1.819 0.020 . 2 . . . A 59 LYS HB3 . 19215 1 474 . 1 1 59 59 LYS HG2 H 1 1.451 0.020 . 1 . . . A 59 LYS HG2 . 19215 1 475 . 1 1 59 59 LYS HG3 H 1 1.451 0.020 . 1 . . . A 59 LYS HG3 . 19215 1 476 . 1 1 59 59 LYS HD2 H 1 1.684 0.020 . 1 . . . A 59 LYS HD2 . 19215 1 477 . 1 1 59 59 LYS HD3 H 1 1.684 0.020 . 1 . . . A 59 LYS HD3 . 19215 1 478 . 1 1 59 59 LYS HE2 H 1 2.957 0.020 . 1 . . . A 59 LYS HE2 . 19215 1 479 . 1 1 59 59 LYS HE3 H 1 2.957 0.020 . 1 . . . A 59 LYS HE3 . 19215 1 480 . 1 1 59 59 LYS CA C 13 57.710 0.3 . 1 . . . A 59 LYS CA . 19215 1 481 . 1 1 59 59 LYS CB C 13 33.022 0.3 . 1 . . . A 59 LYS CB . 19215 1 482 . 1 1 59 59 LYS CG C 13 25.178 0.3 . 1 . . . A 59 LYS CG . 19215 1 483 . 1 1 59 59 LYS CD C 13 29.589 0.3 . 1 . . . A 59 LYS CD . 19215 1 484 . 1 1 59 59 LYS CE C 13 42.207 0.3 . 1 . . . A 59 LYS CE . 19215 1 485 . 1 1 59 59 LYS N N 15 127.736 0.3 . 1 . . . A 59 LYS N . 19215 1 stop_ save_