data_27110 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27110 _Entry.Title ; 1H, 13C and 15N chemical shifts of HIV-1 gp41 cytoplasmic tail residues 707-751 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-05-22 _Entry.Accession_date 2017-05-22 _Entry.Last_release_date 2017-05-22 _Entry.Original_release_date 2017-05-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 'R. Elliot' Murphy . . . . 27110 2 Jiri Vlach . . . . 27110 3 Alexandra Samal . . . . 27110 4 Jamil Saad . . . . 27110 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' . 27110 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Saad Lab' . 27110 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27110 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 179 27110 '15N chemical shifts' 42 27110 '1H chemical shifts' 290 27110 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-11-02 . original BMRB . 27110 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27110 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29056482 _Citation.Full_citation . _Citation.Title ; Solution Structure and Membrane Interaction of the Cytoplasmic Tail of HIV-1 gp41 Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 0969-2126 _Citation.Journal_issue 17 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 30301 _Citation.Page_last 30305 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'R Elliot' Murphy R. E. . . 27110 1 2 Alexandra Samal A. B. . . 27110 1 3 Jiri Vlach J. . . . 27110 1 4 Jamil Saad J. S. . . 27110 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27110 _Assembly.ID 1 _Assembly.Name env45 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _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 'not present' _Assembly.Molecular_mass 5231.7453 _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 'HIV-1 gp41CT_N' 1 $hiv1_env45 A . yes native no no . . 'resid. 707-751' 27110 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hiv1_env45 _Entity.Sf_category entity _Entity.Sf_framecode hiv1_env45 _Entity.Entry_ID 27110 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hiv1_env45 _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 ; SRVRQGYSPLSFQTHLPIPR GPDRPEGIEEEGGERDRDRS IRLVNG ; _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 46 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'gp41-CT_N (residues 707-751)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5231.7453 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes UniProt Q6TAP9 . Q6TAP9 . . . . . . . . . . . . . . 27110 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 1 706 SER . 27110 1 2 707 ARG . 27110 1 3 708 VAL . 27110 1 4 709 ARG . 27110 1 5 710 GLN . 27110 1 6 711 GLY . 27110 1 7 712 TYR . 27110 1 8 713 SER . 27110 1 9 714 PRO . 27110 1 10 715 LEU . 27110 1 11 716 SER . 27110 1 12 717 PHE . 27110 1 13 718 GLN . 27110 1 14 719 THR . 27110 1 15 720 HIS . 27110 1 16 721 LEU . 27110 1 17 722 PRO . 27110 1 18 723 ILE . 27110 1 19 724 PRO . 27110 1 20 725 ARG . 27110 1 21 726 GLY . 27110 1 22 727 PRO . 27110 1 23 728 ASP . 27110 1 24 729 ARG . 27110 1 25 730 PRO . 27110 1 26 731 GLU . 27110 1 27 732 GLY . 27110 1 28 733 ILE . 27110 1 29 734 GLU . 27110 1 30 735 GLU . 27110 1 31 736 GLU . 27110 1 32 737 GLY . 27110 1 33 738 GLY . 27110 1 34 739 GLU . 27110 1 35 740 ARG . 27110 1 36 741 ASP . 27110 1 37 742 ARG . 27110 1 38 743 ASP . 27110 1 39 744 ARG . 27110 1 40 745 SER . 27110 1 41 746 ILE . 27110 1 42 747 ARG . 27110 1 43 748 LEU . 27110 1 44 749 VAL . 27110 1 45 750 ASN . 27110 1 46 751 GLY . 27110 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 . SER 1 1 27110 1 . ARG 2 2 27110 1 . VAL 3 3 27110 1 . ARG 4 4 27110 1 . GLN 5 5 27110 1 . GLY 6 6 27110 1 . TYR 7 7 27110 1 . SER 8 8 27110 1 . PRO 9 9 27110 1 . LEU 10 10 27110 1 . SER 11 11 27110 1 . PHE 12 12 27110 1 . GLN 13 13 27110 1 . THR 14 14 27110 1 . HIS 15 15 27110 1 . LEU 16 16 27110 1 . PRO 17 17 27110 1 . ILE 18 18 27110 1 . PRO 19 19 27110 1 . ARG 20 20 27110 1 . GLY 21 21 27110 1 . PRO 22 22 27110 1 . ASP 23 23 27110 1 . ARG 24 24 27110 1 . PRO 25 25 27110 1 . GLU 26 26 27110 1 . GLY 27 27 27110 1 . ILE 28 28 27110 1 . GLU 29 29 27110 1 . GLU 30 30 27110 1 . GLU 31 31 27110 1 . GLY 32 32 27110 1 . GLY 33 33 27110 1 . GLU 34 34 27110 1 . ARG 35 35 27110 1 . ASP 36 36 27110 1 . ARG 37 37 27110 1 . ASP 38 38 27110 1 . ARG 39 39 27110 1 . SER 40 40 27110 1 . ILE 41 41 27110 1 . ARG 42 42 27110 1 . LEU 43 43 27110 1 . VAL 44 44 27110 1 . ASN 45 45 27110 1 . GLY 46 46 27110 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 27110 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $hiv1_env45 . 11676 virus . 'Human immunodeficiency virus 1' HIV-1 . . Viruses . Lentivirus HIV-1 . . . . . . . . . . . . . 27110 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 27110 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $hiv1_env45 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21 . . . . . pET28 . . . 27110 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample1 _Sample.Sf_category sample _Sample.Sf_framecode Sample1 _Sample.Entry_ID 27110 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 hiv1_env45 '[[U-95% 13C; U-95% 15N]]' . . 1 $hiv1_env45 . . 0.5 . . mM . . . . 27110 1 stop_ save_ ####################### # Sample conditions # ####################### save_Cond1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Cond1 _Sample_condition_list.Entry_ID 27110 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100.000 . mM 27110 1 pH 6.000 . pH 27110 1 pressure 1.000 . atm 27110 1 temperature 308.000 . K 27110 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrDraw _Software.Sf_category software _Software.Sf_framecode nmrDraw _Software.Entry_ID 27110 _Software.ID 2 _Software.Type . _Software.Name nmrDraw _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'F. Delaglio' . . 27110 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum analysis' 27110 2 'Spectrum display' 27110 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 27110 _Software.ID 3 _Software.Type . _Software.Name nmrPipe _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'F. Delaglio' . . 27110 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum processing' 27110 3 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 27110 _Software.ID 1 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 27110 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27110 1 'data analysis' 27110 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spect _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spect _NMR_spectrometer.Entry_ID 27110 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 27110 _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 spect Bruker 'Avance II' . 700 . . . 27110 1 stop_ save_ save_CPTCI _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode CPTCI _NMR_spectrometer_probe.Entry_ID 27110 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model na _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter . _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 27110 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 27110 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 1 $Sample1 isotropic . . 1 $Cond1 . . . 1 $spect 1 $CPTCI . . . . . . . . . . . . . . 27110 1 2 '3D HNCACB' no . . . . . . . . . . 1 $Sample1 isotropic . . 1 $Cond1 . . . 1 $spect 1 $CPTCI . . . . . . . . . . . . . . 27110 1 3 'hncoca (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 1 $Sample1 isotropic . . 1 $Cond1 . . . 1 $spect 1 $CPTCI . . . . . . . . . . . . . . 27110 1 4 'hncocacb (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 1 $Sample1 isotropic . . 1 $Cond1 . . . 1 $spect 1 $CPTCI . . . . . . . . . . . . . . 27110 1 5 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $Sample1 isotropic . . 1 $Cond1 . . . 1 $spect 1 $CPTCI . . . . . . . . . . . . . . 27110 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $Sample1 isotropic . . 1 $Cond1 . . . 1 $spect 1 $CPTCI . . . . . . . . . . . . . . 27110 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $Sample1 isotropic . . 1 $Cond1 . . . 1 $spect 1 $CPTCI . . . . . . . . . . . . . . 27110 1 8 'hCCH (H[C_[C]].Jmultibond)' no . . . . . . . . . . 1 $Sample1 isotropic . . 1 $Cond1 . . . 1 $spect 1 $CPTCI . . . . . . . . . . . . . . 27110 1 9 '3D HNCO' no . . . . . . . . . . 1 $Sample1 isotropic . . 1 $Cond1 . . . 1 $spect 1 $CPTCI . . . . . . . . . . . . . . 27110 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 27110 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27110 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27110 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27110 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 27110 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Cond1 _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 '3D HNCA' 1 $Sample1 isotropic 27110 1 2 '3D HNCACB' 1 $Sample1 isotropic 27110 1 3 'hncoca (H[N[co[{CA|ca[C]}]]])' 1 $Sample1 isotropic 27110 1 4 'hncocacb (H[N[co[{CA|ca[C]}]]])' 1 $Sample1 isotropic 27110 1 5 '2D 1H-15N HSQC/HMQC' 1 $Sample1 isotropic 27110 1 6 '3D 1H-15N NOESY' 1 $Sample1 isotropic 27110 1 7 '3D 1H-15N TOCSY' 1 $Sample1 isotropic 27110 1 8 'hCCH (H[C_[C]].Jmultibond)' 1 $Sample1 isotropic 27110 1 9 '3D HNCO' 1 $Sample1 isotropic 27110 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 1 $CcpNmr_Analysis . . 27110 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ARG HA H 1 4.432 0.005 . 1 . . 512 . . 707 ARG HA . 27110 1 2 . 1 1 2 2 ARG HG2 H 1 1.636 . . 1 . . 515 . . 707 ARG HG2 . 27110 1 3 . 1 1 2 2 ARG HG3 H 1 1.636 . . 1 . . 516 . . 707 ARG HG3 . 27110 1 4 . 1 1 2 2 ARG C C 13 176.096 . . 1 . . 242 . . 707 ARG C . 27110 1 5 . 1 1 2 2 ARG CA C 13 56.356 0.037 . 1 . . 297 . . 707 ARG CA . 27110 1 6 . 1 1 2 2 ARG CB C 13 30.952 0.017 . 1 . . 296 . . 707 ARG CB . 27110 1 7 . 1 1 2 2 ARG CG C 13 27.166 0.009 . 1 . . 513 . . 707 ARG CG . 27110 1 8 . 1 1 2 2 ARG CD C 13 43.444 . . 1 . . 514 . . 707 ARG CD . 27110 1 9 . 1 1 3 3 VAL H H 1 8.237 0.004 . 1 . . 137 . . 708 VAL H . 27110 1 10 . 1 1 3 3 VAL HA H 1 4.087 0.006 . 1 . . 214 . . 708 VAL HA . 27110 1 11 . 1 1 3 3 VAL HB H 1 2.035 0.007 . 1 . . 215 . . 708 VAL HB . 27110 1 12 . 1 1 3 3 VAL HG11 H 1 0.943 0.001 . 2 . . 448 . . 708 VAL HG11 . 27110 1 13 . 1 1 3 3 VAL HG12 H 1 0.943 0.001 . 2 . . 448 . . 708 VAL HG12 . 27110 1 14 . 1 1 3 3 VAL HG13 H 1 0.943 0.001 . 2 . . 448 . . 708 VAL HG13 . 27110 1 15 . 1 1 3 3 VAL HG21 H 1 0.943 0.001 . 2 . . 449 . . 708 VAL HG21 . 27110 1 16 . 1 1 3 3 VAL HG22 H 1 0.943 0.001 . 2 . . 449 . . 708 VAL HG22 . 27110 1 17 . 1 1 3 3 VAL HG23 H 1 0.943 0.001 . 2 . . 449 . . 708 VAL HG23 . 27110 1 18 . 1 1 3 3 VAL C C 13 175.968 . . 1 . . 187 . . 708 VAL C . 27110 1 19 . 1 1 3 3 VAL CA C 13 62.437 0.015 . 1 . . 140 . . 708 VAL CA . 27110 1 20 . 1 1 3 3 VAL CB C 13 32.801 0.025 . 1 . . 139 . . 708 VAL CB . 27110 1 21 . 1 1 3 3 VAL CG1 C 13 21.114 . . 2 . . 442 . . 708 VAL CG1 . 27110 1 22 . 1 1 3 3 VAL CG2 C 13 20.791 . . 2 . . 443 . . 708 VAL CG2 . 27110 1 23 . 1 1 3 3 VAL N N 15 121.914 0.064 . 1 . . 138 . . 708 VAL N . 27110 1 24 . 1 1 4 4 ARG H H 1 8.426 0.004 . 1 . . 58 . . 709 ARG H . 27110 1 25 . 1 1 4 4 ARG HA H 1 4.351 . . 1 . . 216 . . 709 ARG HA . 27110 1 26 . 1 1 4 4 ARG HB2 H 1 1.761 0.003 . 2 . . 217 . . 709 ARG HB2 . 27110 1 27 . 1 1 4 4 ARG HB3 H 1 1.844 0.001 . 2 . . 218 . . 709 ARG HB3 . 27110 1 28 . 1 1 4 4 ARG HG2 H 1 1.621 0.008 . 1 . . 478 . . 709 ARG HG2 . 27110 1 29 . 1 1 4 4 ARG HG3 H 1 1.621 0.008 . 1 . . 479 . . 709 ARG HG3 . 27110 1 30 . 1 1 4 4 ARG HD2 H 1 3.152 0.007 . 2 . . 480 . . 709 ARG HD2 . 27110 1 31 . 1 1 4 4 ARG HD3 H 1 3.152 0.007 . 2 . . 483 . . 709 ARG HD3 . 27110 1 32 . 1 1 4 4 ARG C C 13 175.928 . . 1 . . 511 . . 709 ARG C . 27110 1 33 . 1 1 4 4 ARG CA C 13 56.105 0.042 . 1 . . 103 . . 709 ARG CA . 27110 1 34 . 1 1 4 4 ARG CB C 13 30.931 0.016 . 1 . . 126 . . 709 ARG CB . 27110 1 35 . 1 1 4 4 ARG CG C 13 27.202 0.015 . 1 . . 481 . . 709 ARG CG . 27110 1 36 . 1 1 4 4 ARG CD C 13 43.433 0.026 . 1 . . 482 . . 709 ARG CD . 27110 1 37 . 1 1 4 4 ARG N N 15 125.442 0.032 . 1 . . 59 . . 709 ARG N . 27110 1 38 . 1 1 5 5 GLN H H 1 8.458 0.002 . 1 . . 56 . . 710 GLN H . 27110 1 39 . 1 1 5 5 GLN HA H 1 4.330 0.005 . 1 . . 219 . . 710 GLN HA . 27110 1 40 . 1 1 5 5 GLN HB2 H 1 2.002 . . 2 . . 220 . . 710 GLN HB2 . 27110 1 41 . 1 1 5 5 GLN HB3 H 1 2.093 . . 2 . . 221 . . 710 GLN HB3 . 27110 1 42 . 1 1 5 5 GLN HG2 H 1 2.367 0.007 . 2 . . 316 . . 710 GLN HG2 . 27110 1 43 . 1 1 5 5 GLN HG3 H 1 2.378 . . 2 . . 503 . . 710 GLN HG3 . 27110 1 44 . 1 1 5 5 GLN HE21 H 1 7.490 0.003 . 1 . . 322 . . 710 GLN HE21 . 27110 1 45 . 1 1 5 5 GLN HE22 H 1 6.848 . . 1 . . 324 . . 710 GLN HE22 . 27110 1 46 . 1 1 5 5 GLN C C 13 176.290 . . 1 . . 159 . . 710 GLN C . 27110 1 47 . 1 1 5 5 GLN CA C 13 56.199 0.033 . 1 . . 128 . . 710 GLN CA . 27110 1 48 . 1 1 5 5 GLN CB C 13 29.548 0.032 . 1 . . 84 . . 710 GLN CB . 27110 1 49 . 1 1 5 5 GLN CG C 13 33.804 0.033 . 1 . . 318 . . 710 GLN CG . 27110 1 50 . 1 1 5 5 GLN N N 15 122.537 0.028 . 1 . . 57 . . 710 GLN N . 27110 1 51 . 1 1 5 5 GLN NE2 N 15 112.259 0.024 . 1 . . 323 . . 710 GLN NE2 . 27110 1 52 . 1 1 6 6 GLY H H 1 8.463 0.003 . 1 . . 26 . . 711 GLY H . 27110 1 53 . 1 1 6 6 GLY HA2 H 1 3.918 0.001 . 2 . . 222 . . 711 GLY HA2 . 27110 1 54 . 1 1 6 6 GLY HA3 H 1 3.931 0.01 . 2 . . 223 . . 711 GLY HA3 . 27110 1 55 . 1 1 6 6 GLY C C 13 173.511 . . 1 . . 160 . . 711 GLY C . 27110 1 56 . 1 1 6 6 GLY CA C 13 45.241 0.019 . 1 . . 107 . . 711 GLY CA . 27110 1 57 . 1 1 6 6 GLY N N 15 110.667 0.04 . 1 . . 27 . . 711 GLY N . 27110 1 58 . 1 1 7 7 TYR H H 1 8.049 0.003 . 1 . . 20 . . 712 TYR H . 27110 1 59 . 1 1 7 7 TYR HA H 1 4.597 0.009 . 1 . . 225 . . 712 TYR HA . 27110 1 60 . 1 1 7 7 TYR HB2 H 1 2.973 0.006 . 2 . . 224 . . 712 TYR HB2 . 27110 1 61 . 1 1 7 7 TYR HB3 H 1 2.973 0.006 . 2 . . 505 . . 712 TYR HB3 . 27110 1 62 . 1 1 7 7 TYR C C 13 175.368 . . 1 . . 161 . . 712 TYR C . 27110 1 63 . 1 1 7 7 TYR CA C 13 57.909 0.032 . 1 . . 110 . . 712 TYR CA . 27110 1 64 . 1 1 7 7 TYR CB C 13 39.208 0.007 . 1 . . 111 . . 712 TYR CB . 27110 1 65 . 1 1 7 7 TYR N N 15 120.291 0.046 . 1 . . 21 . . 712 TYR N . 27110 1 66 . 1 1 8 8 SER H H 1 8.138 0.006 . 1 . . 48 . . 713 SER H . 27110 1 67 . 1 1 8 8 SER HA H 1 4.720 0.01 . 1 . . 438 . . 713 SER HA . 27110 1 68 . 1 1 8 8 SER HB2 H 1 3.793 . . 2 . . 437 . . 713 SER HB2 . 27110 1 69 . 1 1 8 8 SER HB3 H 1 3.784 0.0 . 2 . . 439 . . 713 SER HB3 . 27110 1 70 . 1 1 8 8 SER CA C 13 55.698 0.043 . 1 . . 91 . . 713 SER CA . 27110 1 71 . 1 1 8 8 SER CB C 13 63.834 0.011 . 1 . . 90 . . 713 SER CB . 27110 1 72 . 1 1 8 8 SER N N 15 119.873 0.045 . 1 . . 49 . . 713 SER N . 27110 1 73 . 1 1 9 9 PRO HA H 1 4.369 0.003 . 1 . . 385 . . 714 PRO HA . 27110 1 74 . 1 1 9 9 PRO HB2 H 1 2.296 . . 2 . . 388 . . 714 PRO HB2 . 27110 1 75 . 1 1 9 9 PRO HB3 H 1 1.926 . . 2 . . 389 . . 714 PRO HB3 . 27110 1 76 . 1 1 9 9 PRO HG2 H 1 1.995 . . 2 . . 393 . . 714 PRO HG2 . 27110 1 77 . 1 1 9 9 PRO HG3 H 1 1.984 . . 2 . . 394 . . 714 PRO HG3 . 27110 1 78 . 1 1 9 9 PRO HD2 H 1 3.672 . . 2 . . 391 . . 714 PRO HD2 . 27110 1 79 . 1 1 9 9 PRO HD3 H 1 3.599 . . 2 . . 392 . . 714 PRO HD3 . 27110 1 80 . 1 1 9 9 PRO C C 13 176.840 . . 1 . . 162 . . 714 PRO C . 27110 1 81 . 1 1 9 9 PRO CA C 13 63.478 0.015 . 1 . . 328 . . 714 PRO CA . 27110 1 82 . 1 1 9 9 PRO CB C 13 32.050 0.007 . 1 . . 329 . . 714 PRO CB . 27110 1 83 . 1 1 9 9 PRO CG C 13 27.272 0.003 . 1 . . 387 . . 714 PRO CG . 27110 1 84 . 1 1 9 9 PRO CD C 13 50.849 0.009 . 1 . . 386 . . 714 PRO CD . 27110 1 85 . 1 1 10 10 LEU H H 1 8.105 0.004 . 1 . . 60 . . 715 LEU H . 27110 1 86 . 1 1 10 10 LEU HA H 1 4.280 0.004 . 1 . . 226 . . 715 LEU HA . 27110 1 87 . 1 1 10 10 LEU HB2 H 1 1.606 0.001 . 2 . . 227 . . 715 LEU HB2 . 27110 1 88 . 1 1 10 10 LEU HB3 H 1 1.528 0.003 . 2 . . 228 . . 715 LEU HB3 . 27110 1 89 . 1 1 10 10 LEU HG H 1 1.607 . . 1 . . 361 . . 715 LEU HG . 27110 1 90 . 1 1 10 10 LEU HD11 H 1 0.918 0.0 . 2 . . 362 . . 715 LEU HD11 . 27110 1 91 . 1 1 10 10 LEU HD12 H 1 0.918 0.0 . 2 . . 362 . . 715 LEU HD12 . 27110 1 92 . 1 1 10 10 LEU HD13 H 1 0.918 0.0 . 2 . . 362 . . 715 LEU HD13 . 27110 1 93 . 1 1 10 10 LEU HD21 H 1 0.862 . . 2 . . 363 . . 715 LEU HD21 . 27110 1 94 . 1 1 10 10 LEU HD22 H 1 0.862 . . 2 . . 363 . . 715 LEU HD22 . 27110 1 95 . 1 1 10 10 LEU HD23 H 1 0.862 . . 2 . . 363 . . 715 LEU HD23 . 27110 1 96 . 1 1 10 10 LEU C C 13 177.578 . . 1 . . 163 . . 715 LEU C . 27110 1 97 . 1 1 10 10 LEU CA C 13 55.422 0.033 . 1 . . 82 . . 715 LEU CA . 27110 1 98 . 1 1 10 10 LEU CB C 13 42.128 0.017 . 1 . . 83 . . 715 LEU CB . 27110 1 99 . 1 1 10 10 LEU CG C 13 27.121 0.001 . 1 . . 360 . . 715 LEU CG . 27110 1 100 . 1 1 10 10 LEU CD1 C 13 24.920 0.001 . 2 . . 358 . . 715 LEU CD1 . 27110 1 101 . 1 1 10 10 LEU CD2 C 13 23.421 0.014 . 2 . . 359 . . 715 LEU CD2 . 27110 1 102 . 1 1 10 10 LEU N N 15 120.656 0.042 . 1 . . 61 . . 715 LEU N . 27110 1 103 . 1 1 11 11 SER H H 1 8.024 0.002 . 1 . . 32 . . 716 SER H . 27110 1 104 . 1 1 11 11 SER HA H 1 4.374 0.003 . 1 . . 229 . . 716 SER HA . 27110 1 105 . 1 1 11 11 SER HB2 H 1 3.794 0.0 . 2 . . 230 . . 716 SER HB2 . 27110 1 106 . 1 1 11 11 SER HB3 H 1 3.811 0.0 . 2 . . 231 . . 716 SER HB3 . 27110 1 107 . 1 1 11 11 SER C C 13 174.240 . . 1 . . 164 . . 716 SER C . 27110 1 108 . 1 1 11 11 SER CA C 13 58.557 0.028 . 1 . . 102 . . 716 SER CA . 27110 1 109 . 1 1 11 11 SER CB C 13 63.840 0.014 . 1 . . 101 . . 716 SER CB . 27110 1 110 . 1 1 11 11 SER N N 15 115.517 0.037 . 1 . . 33 . . 716 SER N . 27110 1 111 . 1 1 12 12 PHE H H 1 8.062 0.005 . 1 . . 54 . . 717 PHE H . 27110 1 112 . 1 1 12 12 PHE HA H 1 4.641 0.002 . 1 . . 382 . . 717 PHE HA . 27110 1 113 . 1 1 12 12 PHE HB2 H 1 3.180 0.0 . 2 . . 383 . . 717 PHE HB2 . 27110 1 114 . 1 1 12 12 PHE HB3 H 1 3.051 0.009 . 2 . . 384 . . 717 PHE HB3 . 27110 1 115 . 1 1 12 12 PHE C C 13 175.545 . . 1 . . 165 . . 717 PHE C . 27110 1 116 . 1 1 12 12 PHE CA C 13 57.895 0.041 . 1 . . 85 . . 717 PHE CA . 27110 1 117 . 1 1 12 12 PHE CB C 13 39.407 0.012 . 1 . . 86 . . 717 PHE CB . 27110 1 118 . 1 1 12 12 PHE N N 15 121.506 0.039 . 1 . . 55 . . 717 PHE N . 27110 1 119 . 1 1 13 13 GLN H H 1 8.156 0.004 . 1 . . 10 . . 718 GLN H . 27110 1 120 . 1 1 13 13 GLN HA H 1 4.352 0.004 . 1 . . 232 . . 718 GLN HA . 27110 1 121 . 1 1 13 13 GLN HB2 H 1 2.060 . . 2 . . 314 . . 718 GLN HB2 . 27110 1 122 . 1 1 13 13 GLN HB3 H 1 1.941 . . 2 . . 315 . . 718 GLN HB3 . 27110 1 123 . 1 1 13 13 GLN HG2 H 1 2.275 0.007 . 2 . . 317 . . 718 GLN HG2 . 27110 1 124 . 1 1 13 13 GLN HG3 H 1 2.286 . . 2 . . 504 . . 718 GLN HG3 . 27110 1 125 . 1 1 13 13 GLN HE21 H 1 7.472 0.001 . 1 . . 325 . . 718 GLN HE21 . 27110 1 126 . 1 1 13 13 GLN HE22 H 1 6.848 . . 1 . . 326 . . 718 GLN HE22 . 27110 1 127 . 1 1 13 13 GLN C C 13 175.786 . . 1 . . 166 . . 718 GLN C . 27110 1 128 . 1 1 13 13 GLN CA C 13 55.968 0.047 . 1 . . 117 . . 718 GLN CA . 27110 1 129 . 1 1 13 13 GLN CB C 13 29.606 0.038 . 1 . . 118 . . 718 GLN CB . 27110 1 130 . 1 1 13 13 GLN CG C 13 33.907 0.043 . 1 . . 319 . . 718 GLN CG . 27110 1 131 . 1 1 13 13 GLN N N 15 121.069 0.024 . 1 . . 11 . . 718 GLN N . 27110 1 132 . 1 1 13 13 GLN NE2 N 15 112.252 0.016 . 1 . . 327 . . 718 GLN NE2 . 27110 1 133 . 1 1 14 14 THR H H 1 8.053 0.004 . 1 . . 22 . . 719 THR H . 27110 1 134 . 1 1 14 14 THR HA H 1 4.263 0.005 . 1 . . 233 . . 719 THR HA . 27110 1 135 . 1 1 14 14 THR HB H 1 4.170 . . 1 . . 234 . . 719 THR HB . 27110 1 136 . 1 1 14 14 THR HG21 H 1 1.171 . . 1 . . 441 . . 719 THR HG21 . 27110 1 137 . 1 1 14 14 THR HG22 H 1 1.171 . . 1 . . 441 . . 719 THR HG22 . 27110 1 138 . 1 1 14 14 THR HG23 H 1 1.171 . . 1 . . 441 . . 719 THR HG23 . 27110 1 139 . 1 1 14 14 THR C C 13 174.099 . . 1 . . 167 . . 719 THR C . 27110 1 140 . 1 1 14 14 THR CA C 13 62.095 0.032 . 1 . . 109 . . 719 THR CA . 27110 1 141 . 1 1 14 14 THR CB C 13 69.809 0.015 . 1 . . 108 . . 719 THR CB . 27110 1 142 . 1 1 14 14 THR CG2 C 13 21.605 0.021 . 1 . . 440 . . 719 THR CG2 . 27110 1 143 . 1 1 14 14 THR N N 15 114.630 0.034 . 1 . . 23 . . 719 THR N . 27110 1 144 . 1 1 15 15 HIS H H 1 8.378 0.003 . 1 . . 142 . . 720 HIS H . 27110 1 145 . 1 1 15 15 HIS HA H 1 4.714 0.01 . 1 . . 334 . . 720 HIS HA . 27110 1 146 . 1 1 15 15 HIS HB2 H 1 3.251 . . 2 . . 332 . . 720 HIS HB2 . 27110 1 147 . 1 1 15 15 HIS HB3 H 1 3.154 . . 2 . . 333 . . 720 HIS HB3 . 27110 1 148 . 1 1 15 15 HIS C C 13 174.146 . . 1 . . 168 . . 720 HIS C . 27110 1 149 . 1 1 15 15 HIS CA C 13 55.423 0.031 . 1 . . 144 . . 720 HIS CA . 27110 1 150 . 1 1 15 15 HIS CB C 13 29.543 0.043 . 1 . . 145 . . 720 HIS CB . 27110 1 151 . 1 1 15 15 HIS N N 15 120.606 0.036 . 1 . . 143 . . 720 HIS N . 27110 1 152 . 1 1 16 16 LEU H H 1 8.219 0.008 . 1 . . 74 . . 721 LEU H . 27110 1 153 . 1 1 16 16 LEU HA H 1 4.599 0.007 . 1 . . 364 . . 721 LEU HA . 27110 1 154 . 1 1 16 16 LEU HB2 H 1 1.578 . . 2 . . 366 . . 721 LEU HB2 . 27110 1 155 . 1 1 16 16 LEU HB3 H 1 1.532 . . 2 . . 367 . . 721 LEU HB3 . 27110 1 156 . 1 1 16 16 LEU HG H 1 1.587 . . 1 . . 369 . . 721 LEU HG . 27110 1 157 . 1 1 16 16 LEU HD11 H 1 0.928 . . 2 . . 371 . . 721 LEU HD11 . 27110 1 158 . 1 1 16 16 LEU HD12 H 1 0.928 . . 2 . . 371 . . 721 LEU HD12 . 27110 1 159 . 1 1 16 16 LEU HD13 H 1 0.928 . . 2 . . 371 . . 721 LEU HD13 . 27110 1 160 . 1 1 16 16 LEU HD21 H 1 0.898 0.0 . 2 . . 373 . . 721 LEU HD21 . 27110 1 161 . 1 1 16 16 LEU HD22 H 1 0.898 0.0 . 2 . . 373 . . 721 LEU HD22 . 27110 1 162 . 1 1 16 16 LEU HD23 H 1 0.898 0.0 . 2 . . 373 . . 721 LEU HD23 . 27110 1 163 . 1 1 16 16 LEU CA C 13 53.107 0.032 . 1 . . 76 . . 721 LEU CA . 27110 1 164 . 1 1 16 16 LEU CB C 13 41.884 0.013 . 1 . . 365 . . 721 LEU CB . 27110 1 165 . 1 1 16 16 LEU CG C 13 27.002 0.075 . 1 . . 368 . . 721 LEU CG . 27110 1 166 . 1 1 16 16 LEU CD1 C 13 25.151 0.003 . 2 . . 370 . . 721 LEU CD1 . 27110 1 167 . 1 1 16 16 LEU CD2 C 13 23.316 0.036 . 2 . . 372 . . 721 LEU CD2 . 27110 1 168 . 1 1 16 16 LEU N N 15 124.756 0.031 . 1 . . 75 . . 721 LEU N . 27110 1 169 . 1 1 17 17 PRO HA H 1 4.447 0.005 . 1 . . 395 . . 722 PRO HA . 27110 1 170 . 1 1 17 17 PRO HB2 H 1 2.243 0.006 . 2 . . 397 . . 722 PRO HB2 . 27110 1 171 . 1 1 17 17 PRO HB3 H 1 1.870 . . 2 . . 399 . . 722 PRO HB3 . 27110 1 172 . 1 1 17 17 PRO HG2 H 1 2.024 . . 2 . . 403 . . 722 PRO HG2 . 27110 1 173 . 1 1 17 17 PRO HG3 H 1 2.015 . . 2 . . 404 . . 722 PRO HG3 . 27110 1 174 . 1 1 17 17 PRO HD2 H 1 3.791 . . 2 . . 400 . . 722 PRO HD2 . 27110 1 175 . 1 1 17 17 PRO HD3 H 1 3.626 . . 2 . . 401 . . 722 PRO HD3 . 27110 1 176 . 1 1 17 17 PRO C C 13 176.445 . . 1 . . 169 . . 722 PRO C . 27110 1 177 . 1 1 17 17 PRO CA C 13 62.945 0.011 . 1 . . 330 . . 722 PRO CA . 27110 1 178 . 1 1 17 17 PRO CB C 13 31.782 0.02 . 1 . . 398 . . 722 PRO CB . 27110 1 179 . 1 1 17 17 PRO CG C 13 27.440 0.015 . 1 . . 402 . . 722 PRO CG . 27110 1 180 . 1 1 17 17 PRO CD C 13 50.575 0.025 . 1 . . 396 . . 722 PRO CD . 27110 1 181 . 1 1 18 18 ILE H H 1 8.127 0.002 . 1 . . 7 . . 723 ILE H . 27110 1 182 . 1 1 18 18 ILE HA H 1 4.432 0.006 . 1 . . 335 . . 723 ILE HA . 27110 1 183 . 1 1 18 18 ILE HB H 1 1.835 0.005 . 1 . . 235 . . 723 ILE HB . 27110 1 184 . 1 1 18 18 ILE HG12 H 1 1.542 0.005 . 2 . . 339 . . 723 ILE HG12 . 27110 1 185 . 1 1 18 18 ILE HG13 H 1 1.189 0.003 . 2 . . 340 . . 723 ILE HG13 . 27110 1 186 . 1 1 18 18 ILE HG21 H 1 0.952 0.003 . 1 . . 341 . . 723 ILE HG21 . 27110 1 187 . 1 1 18 18 ILE HG22 H 1 0.952 0.003 . 1 . . 341 . . 723 ILE HG22 . 27110 1 188 . 1 1 18 18 ILE HG23 H 1 0.952 0.003 . 1 . . 341 . . 723 ILE HG23 . 27110 1 189 . 1 1 18 18 ILE HD11 H 1 0.866 . . 1 . . 342 . . 723 ILE HD11 . 27110 1 190 . 1 1 18 18 ILE HD12 H 1 0.866 . . 1 . . 342 . . 723 ILE HD12 . 27110 1 191 . 1 1 18 18 ILE HD13 H 1 0.866 . . 1 . . 342 . . 723 ILE HD13 . 27110 1 192 . 1 1 18 18 ILE CA C 13 58.690 0.023 . 1 . . 121 . . 723 ILE CA . 27110 1 193 . 1 1 18 18 ILE CB C 13 38.863 0.011 . 1 . . 120 . . 723 ILE CB . 27110 1 194 . 1 1 18 18 ILE CG1 C 13 27.089 0.013 . 1 . . 336 . . 723 ILE CG1 . 27110 1 195 . 1 1 18 18 ILE CG2 C 13 17.184 0.013 . 1 . . 337 . . 723 ILE CG2 . 27110 1 196 . 1 1 18 18 ILE CD1 C 13 12.831 0.006 . 1 . . 338 . . 723 ILE CD1 . 27110 1 197 . 1 1 18 18 ILE N N 15 122.653 0.035 . 1 . . 8 . . 723 ILE N . 27110 1 198 . 1 1 19 19 PRO HA H 1 4.423 0.002 . 1 . . 405 . . 724 PRO HA . 27110 1 199 . 1 1 19 19 PRO HB2 H 1 2.287 . . 2 . . 407 . . 724 PRO HB2 . 27110 1 200 . 1 1 19 19 PRO HB3 H 1 1.928 . . 2 . . 409 . . 724 PRO HB3 . 27110 1 201 . 1 1 19 19 PRO HG2 H 1 2.040 . . 2 . . 413 . . 724 PRO HG2 . 27110 1 202 . 1 1 19 19 PRO HG3 H 1 1.982 . . 2 . . 414 . . 724 PRO HG3 . 27110 1 203 . 1 1 19 19 PRO HD2 H 1 3.882 . . 2 . . 410 . . 724 PRO HD2 . 27110 1 204 . 1 1 19 19 PRO HD3 H 1 3.674 . . 2 . . 411 . . 724 PRO HD3 . 27110 1 205 . 1 1 19 19 PRO C C 13 176.633 . . 1 . . 239 . . 724 PRO C . 27110 1 206 . 1 1 19 19 PRO CA C 13 63.262 0.032 . 1 . . 298 . . 724 PRO CA . 27110 1 207 . 1 1 19 19 PRO CB C 13 32.126 0.034 . 1 . . 408 . . 724 PRO CB . 27110 1 208 . 1 1 19 19 PRO CG C 13 27.412 0.054 . 1 . . 412 . . 724 PRO CG . 27110 1 209 . 1 1 19 19 PRO CD C 13 51.109 0.014 . 1 . . 406 . . 724 PRO CD . 27110 1 210 . 1 1 20 20 ARG H H 1 8.383 0.002 . 1 . . 30 . . 725 ARG H . 27110 1 211 . 1 1 20 20 ARG HA H 1 4.377 0.004 . 1 . . 236 . . 725 ARG HA . 27110 1 212 . 1 1 20 20 ARG HB2 H 1 1.890 0.01 . 2 . . 451 . . 725 ARG HB2 . 27110 1 213 . 1 1 20 20 ARG HB3 H 1 1.786 0.008 . 2 . . 485 . . 725 ARG HB3 . 27110 1 214 . 1 1 20 20 ARG HG2 H 1 1.708 0.009 . 1 . . 477 . . 725 ARG HG2 . 27110 1 215 . 1 1 20 20 ARG HG3 H 1 1.708 0.009 . 1 . . 488 . . 725 ARG HG3 . 27110 1 216 . 1 1 20 20 ARG HD2 H 1 3.218 0.007 . 1 . . 450 . . 725 ARG HD2 . 27110 1 217 . 1 1 20 20 ARG HD3 H 1 3.218 0.007 . 1 . . 487 . . 725 ARG HD3 . 27110 1 218 . 1 1 20 20 ARG C C 13 176.538 . . 1 . . 191 . . 725 ARG C . 27110 1 219 . 1 1 20 20 ARG CA C 13 56.074 0.051 . 1 . . 210 . . 725 ARG CA . 27110 1 220 . 1 1 20 20 ARG CB C 13 31.177 0.028 . 1 . . 211 . . 725 ARG CB . 27110 1 221 . 1 1 20 20 ARG CG C 13 27.126 0.013 . 1 . . 484 . . 725 ARG CG . 27110 1 222 . 1 1 20 20 ARG CD C 13 43.437 0.008 . 1 . . 486 . . 725 ARG CD . 27110 1 223 . 1 1 20 20 ARG N N 15 121.601 0.039 . 1 . . 31 . . 725 ARG N . 27110 1 224 . 1 1 21 21 GLY H H 1 8.286 0.003 . 1 . . 146 . . 726 GLY H . 27110 1 225 . 1 1 21 21 GLY HA2 H 1 4.188 0.001 . 2 . . 237 . . 726 GLY HA2 . 27110 1 226 . 1 1 21 21 GLY HA3 H 1 4.052 0.007 . 2 . . 238 . . 726 GLY HA3 . 27110 1 227 . 1 1 21 21 GLY CA C 13 44.690 . . 1 . . 148 . . 726 GLY CA . 27110 1 228 . 1 1 21 21 GLY N N 15 110.468 0.037 . 1 . . 147 . . 726 GLY N . 27110 1 229 . 1 1 22 22 PRO HA H 1 4.436 0.002 . 1 . . 416 . . 727 PRO HA . 27110 1 230 . 1 1 22 22 PRO HB2 H 1 2.270 . . 2 . . 418 . . 727 PRO HB2 . 27110 1 231 . 1 1 22 22 PRO HB3 H 1 1.951 . . 2 . . 420 . . 727 PRO HB3 . 27110 1 232 . 1 1 22 22 PRO HG2 H 1 2.027 . . 2 . . 424 . . 727 PRO HG2 . 27110 1 233 . 1 1 22 22 PRO HG3 H 1 2.021 . . 2 . . 425 . . 727 PRO HG3 . 27110 1 234 . 1 1 22 22 PRO HD2 H 1 3.643 . . 2 . . 421 . . 727 PRO HD2 . 27110 1 235 . 1 1 22 22 PRO HD3 H 1 3.619 . . 2 . . 422 . . 727 PRO HD3 . 27110 1 236 . 1 1 22 22 PRO C C 13 176.760 . . 1 . . 170 . . 727 PRO C . 27110 1 237 . 1 1 22 22 PRO CA C 13 63.345 0.022 . 1 . . 415 . . 727 PRO CA . 27110 1 238 . 1 1 22 22 PRO CB C 13 32.174 0.031 . 1 . . 419 . . 727 PRO CB . 27110 1 239 . 1 1 22 22 PRO CG C 13 27.076 0.008 . 1 . . 423 . . 727 PRO CG . 27110 1 240 . 1 1 22 22 PRO CD C 13 49.849 0.03 . 1 . . 417 . . 727 PRO CD . 27110 1 241 . 1 1 23 23 ASP H H 1 8.418 0.004 . 1 . . 52 . . 728 ASP H . 27110 1 242 . 1 1 23 23 ASP HA H 1 4.566 0.007 . 1 . . 243 . . 728 ASP HA . 27110 1 243 . 1 1 23 23 ASP HB2 H 1 2.692 0.001 . 2 . . 244 . . 728 ASP HB2 . 27110 1 244 . 1 1 23 23 ASP HB3 H 1 2.601 0.004 . 2 . . 245 . . 728 ASP HB3 . 27110 1 245 . 1 1 23 23 ASP C C 13 175.747 . . 1 . . 171 . . 728 ASP C . 27110 1 246 . 1 1 23 23 ASP CA C 13 54.581 0.064 . 1 . . 87 . . 728 ASP CA . 27110 1 247 . 1 1 23 23 ASP CB C 13 40.992 0.009 . 1 . . 141 . . 728 ASP CB . 27110 1 248 . 1 1 23 23 ASP N N 15 119.889 0.046 . 1 . . 53 . . 728 ASP N . 27110 1 249 . 1 1 24 24 ARG H H 1 8.081 0.006 . 1 . . 65 . . 729 ARG H . 27110 1 250 . 1 1 24 24 ARG HA H 1 4.656 0.008 . 1 . . 247 . . 729 ARG HA . 27110 1 251 . 1 1 24 24 ARG HB2 H 1 1.851 0.004 . 2 . . 248 . . 729 ARG HB2 . 27110 1 252 . 1 1 24 24 ARG HB3 H 1 1.729 0.008 . 2 . . 249 . . 729 ARG HB3 . 27110 1 253 . 1 1 24 24 ARG HG2 H 1 1.642 0.01 . 1 . . 470 . . 729 ARG HG2 . 27110 1 254 . 1 1 24 24 ARG HG3 H 1 1.642 0.01 . 1 . . 471 . . 729 ARG HG3 . 27110 1 255 . 1 1 24 24 ARG HD2 H 1 3.200 0.005 . 2 . . 472 . . 729 ARG HD2 . 27110 1 256 . 1 1 24 24 ARG HD3 H 1 3.195 0.0 . 2 . . 473 . . 729 ARG HD3 . 27110 1 257 . 1 1 24 24 ARG CA C 13 53.652 0.052 . 1 . . 79 . . 729 ARG CA . 27110 1 258 . 1 1 24 24 ARG CB C 13 30.536 0.039 . 1 . . 80 . . 729 ARG CB . 27110 1 259 . 1 1 24 24 ARG CG C 13 26.751 0.038 . 1 . . 302 . . 729 ARG CG . 27110 1 260 . 1 1 24 24 ARG CD C 13 43.486 0.019 . 1 . . 300 . . 729 ARG CD . 27110 1 261 . 1 1 24 24 ARG N N 15 121.387 0.042 . 1 . . 66 . . 729 ARG N . 27110 1 262 . 1 1 25 25 PRO HA H 1 4.423 0.002 . 1 . . 427 . . 730 PRO HA . 27110 1 263 . 1 1 25 25 PRO HB2 H 1 2.289 . . 2 . . 428 . . 730 PRO HB2 . 27110 1 264 . 1 1 25 25 PRO HB3 H 1 1.927 . . 2 . . 430 . . 730 PRO HB3 . 27110 1 265 . 1 1 25 25 PRO HG2 H 1 2.024 . . 2 . . 435 . . 730 PRO HG2 . 27110 1 266 . 1 1 25 25 PRO HG3 H 1 2.019 . . 2 . . 436 . . 730 PRO HG3 . 27110 1 267 . 1 1 25 25 PRO HD2 H 1 3.757 . . 2 . . 431 . . 730 PRO HD2 . 27110 1 268 . 1 1 25 25 PRO HD3 H 1 3.629 . . 2 . . 433 . . 730 PRO HD3 . 27110 1 269 . 1 1 25 25 PRO C C 13 176.883 . . 1 . . 172 . . 730 PRO C . 27110 1 270 . 1 1 25 25 PRO CA C 13 63.311 0.039 . 1 . . 426 . . 730 PRO CA . 27110 1 271 . 1 1 25 25 PRO CB C 13 32.086 0.019 . 1 . . 429 . . 730 PRO CB . 27110 1 272 . 1 1 25 25 PRO CG C 13 27.511 0.04 . 1 . . 434 . . 730 PRO CG . 27110 1 273 . 1 1 25 25 PRO CD C 13 50.670 0.054 . 1 . . 432 . . 730 PRO CD . 27110 1 274 . 1 1 26 26 GLU H H 1 8.609 0.005 . 1 . . 24 . . 731 GLU H . 27110 1 275 . 1 1 26 26 GLU HA H 1 4.269 0.008 . 1 . . 250 . . 731 GLU HA . 27110 1 276 . 1 1 26 26 GLU HB2 H 1 2.063 0.005 . 2 . . 251 . . 731 GLU HB2 . 27110 1 277 . 1 1 26 26 GLU HB3 H 1 1.962 0.008 . 2 . . 252 . . 731 GLU HB3 . 27110 1 278 . 1 1 26 26 GLU HG2 H 1 2.307 0.008 . 2 . . 452 . . 731 GLU HG2 . 27110 1 279 . 1 1 26 26 GLU HG3 H 1 2.304 0.003 . 2 . . 453 . . 731 GLU HG3 . 27110 1 280 . 1 1 26 26 GLU C C 13 177.078 . . 1 . . 173 . . 731 GLU C . 27110 1 281 . 1 1 26 26 GLU CA C 13 56.953 0.027 . 1 . . 98 . . 731 GLU CA . 27110 1 282 . 1 1 26 26 GLU CB C 13 30.270 0.002 . 1 . . 97 . . 731 GLU CB . 27110 1 283 . 1 1 26 26 GLU CG C 13 36.250 . . 1 . . 509 . . 731 GLU CG . 27110 1 284 . 1 1 26 26 GLU N N 15 120.807 0.048 . 1 . . 25 . . 731 GLU N . 27110 1 285 . 1 1 27 27 GLY H H 1 8.408 0.003 . 1 . . 62 . . 732 GLY H . 27110 1 286 . 1 1 27 27 GLY HA2 H 1 3.985 0.005 . 2 . . 253 . . 732 GLY HA2 . 27110 1 287 . 1 1 27 27 GLY HA3 H 1 3.981 0.006 . 2 . . 254 . . 732 GLY HA3 . 27110 1 288 . 1 1 27 27 GLY C C 13 174.004 . . 1 . . 174 . . 732 GLY C . 27110 1 289 . 1 1 27 27 GLY CA C 13 45.477 0.023 . 1 . . 81 . . 732 GLY CA . 27110 1 290 . 1 1 27 27 GLY N N 15 109.919 0.039 . 1 . . 63 . . 732 GLY N . 27110 1 291 . 1 1 28 28 ILE H H 1 7.867 0.002 . 1 . . 28 . . 733 ILE H . 27110 1 292 . 1 1 28 28 ILE HA H 1 4.220 0.006 . 1 . . 255 . . 733 ILE HA . 27110 1 293 . 1 1 28 28 ILE HB H 1 1.883 0.006 . 1 . . 256 . . 733 ILE HB . 27110 1 294 . 1 1 28 28 ILE HG12 H 1 1.416 0.006 . 2 . . 346 . . 733 ILE HG12 . 27110 1 295 . 1 1 28 28 ILE HG13 H 1 1.172 0.003 . 2 . . 347 . . 733 ILE HG13 . 27110 1 296 . 1 1 28 28 ILE HG21 H 1 0.897 0.001 . 1 . . 348 . . 733 ILE HG21 . 27110 1 297 . 1 1 28 28 ILE HG22 H 1 0.897 0.001 . 1 . . 348 . . 733 ILE HG22 . 27110 1 298 . 1 1 28 28 ILE HG23 H 1 0.897 0.001 . 1 . . 348 . . 733 ILE HG23 . 27110 1 299 . 1 1 28 28 ILE HD11 H 1 0.851 . . 1 . . 349 . . 733 ILE HD11 . 27110 1 300 . 1 1 28 28 ILE HD12 H 1 0.851 . . 1 . . 349 . . 733 ILE HD12 . 27110 1 301 . 1 1 28 28 ILE HD13 H 1 0.851 . . 1 . . 349 . . 733 ILE HD13 . 27110 1 302 . 1 1 28 28 ILE C C 13 176.213 . . 1 . . 175 . . 733 ILE C . 27110 1 303 . 1 1 28 28 ILE CA C 13 61.097 0.033 . 1 . . 105 . . 733 ILE CA . 27110 1 304 . 1 1 28 28 ILE CB C 13 38.874 0.045 . 1 . . 106 . . 733 ILE CB . 27110 1 305 . 1 1 28 28 ILE CG1 C 13 27.272 0.044 . 1 . . 343 . . 733 ILE CG1 . 27110 1 306 . 1 1 28 28 ILE CG2 C 13 17.592 0.022 . 1 . . 344 . . 733 ILE CG2 . 27110 1 307 . 1 1 28 28 ILE CD1 C 13 13.032 0.026 . 1 . . 345 . . 733 ILE CD1 . 27110 1 308 . 1 1 28 28 ILE N N 15 119.429 0.058 . 1 . . 29 . . 733 ILE N . 27110 1 309 . 1 1 29 29 GLU H H 1 8.536 0.003 . 1 . . 44 . . 734 GLU H . 27110 1 310 . 1 1 29 29 GLU HA H 1 4.306 0.01 . 1 . . 257 . . 734 GLU HA . 27110 1 311 . 1 1 29 29 GLU HB2 H 1 2.057 0.003 . 2 . . 258 . . 734 GLU HB2 . 27110 1 312 . 1 1 29 29 GLU HB3 H 1 1.945 0.001 . 2 . . 259 . . 734 GLU HB3 . 27110 1 313 . 1 1 29 29 GLU HG2 H 1 2.289 0.006 . 2 . . 456 . . 734 GLU HG2 . 27110 1 314 . 1 1 29 29 GLU HG3 H 1 2.276 0.007 . 2 . . 457 . . 734 GLU HG3 . 27110 1 315 . 1 1 29 29 GLU C C 13 176.383 . . 1 . . 176 . . 734 GLU C . 27110 1 316 . 1 1 29 29 GLU CA C 13 56.695 0.023 . 1 . . 94 . . 734 GLU CA . 27110 1 317 . 1 1 29 29 GLU CB C 13 30.210 0.001 . 1 . . 125 . . 734 GLU CB . 27110 1 318 . 1 1 29 29 GLU CG C 13 36.233 . . 1 . . 506 . . 734 GLU CG . 27110 1 319 . 1 1 29 29 GLU N N 15 124.768 0.028 . 1 . . 45 . . 734 GLU N . 27110 1 320 . 1 1 30 30 GLU H H 1 8.409 0.003 . 1 . . 5 . . 735 GLU H . 27110 1 321 . 1 1 30 30 GLU HA H 1 4.301 0.006 . 1 . . 260 . . 735 GLU HA . 27110 1 322 . 1 1 30 30 GLU HB2 H 1 2.062 0.004 . 2 . . 261 . . 735 GLU HB2 . 27110 1 323 . 1 1 30 30 GLU HB3 H 1 1.944 0.007 . 2 . . 262 . . 735 GLU HB3 . 27110 1 324 . 1 1 30 30 GLU HG2 H 1 2.276 0.002 . 2 . . 458 . . 735 GLU HG2 . 27110 1 325 . 1 1 30 30 GLU HG3 H 1 2.271 0.004 . 2 . . 459 . . 735 GLU HG3 . 27110 1 326 . 1 1 30 30 GLU C C 13 176.485 . . 1 . . 177 . . 735 GLU C . 27110 1 327 . 1 1 30 30 GLU CA C 13 56.675 0.029 . 1 . . 122 . . 735 GLU CA . 27110 1 328 . 1 1 30 30 GLU CB C 13 30.512 0.003 . 1 . . 127 . . 735 GLU CB . 27110 1 329 . 1 1 30 30 GLU CG C 13 36.232 . . 1 . . 507 . . 735 GLU CG . 27110 1 330 . 1 1 30 30 GLU N N 15 122.210 0.02 . 1 . . 6 . . 735 GLU N . 27110 1 331 . 1 1 31 31 GLU H H 1 8.490 0.006 . 1 . . 40 . . 736 GLU H . 27110 1 332 . 1 1 31 31 GLU HA H 1 4.297 0.008 . 1 . . 263 . . 736 GLU HA . 27110 1 333 . 1 1 31 31 GLU HB2 H 1 2.096 0.001 . 2 . . 264 . . 736 GLU HB2 . 27110 1 334 . 1 1 31 31 GLU HB3 H 1 1.988 0.001 . 2 . . 265 . . 736 GLU HB3 . 27110 1 335 . 1 1 31 31 GLU HG2 H 1 2.301 . . 2 . . 460 . . 736 GLU HG2 . 27110 1 336 . 1 1 31 31 GLU HG3 H 1 2.286 . . 2 . . 461 . . 736 GLU HG3 . 27110 1 337 . 1 1 31 31 GLU C C 13 177.098 . . 1 . . 178 . . 736 GLU C . 27110 1 338 . 1 1 31 31 GLU CA C 13 56.933 0.02 . 1 . . 131 . . 736 GLU CA . 27110 1 339 . 1 1 31 31 GLU CB C 13 30.319 0.002 . 1 . . 130 . . 736 GLU CB . 27110 1 340 . 1 1 31 31 GLU CG C 13 36.233 . . 1 . . 508 . . 736 GLU CG . 27110 1 341 . 1 1 31 31 GLU N N 15 122.414 0.019 . 1 . . 41 . . 736 GLU N . 27110 1 342 . 1 1 32 32 GLY H H 1 8.534 0.004 . 1 . . 1 . . 737 GLY H . 27110 1 343 . 1 1 32 32 GLY HA2 H 1 4.007 0.004 . 2 . . 266 . . 737 GLY HA2 . 27110 1 344 . 1 1 32 32 GLY HA3 H 1 3.959 0.013 . 2 . . 267 . . 737 GLY HA3 . 27110 1 345 . 1 1 32 32 GLY C C 13 174.833 . . 1 . . 179 . . 737 GLY C . 27110 1 346 . 1 1 32 32 GLY CA C 13 45.565 0.03 . 1 . . 129 . . 737 GLY CA . 27110 1 347 . 1 1 32 32 GLY N N 15 110.312 0.055 . 1 . . 2 . . 737 GLY N . 27110 1 348 . 1 1 33 33 GLY H H 1 8.303 0.002 . 1 . . 69 . . 738 GLY H . 27110 1 349 . 1 1 33 33 GLY HA2 H 1 4.028 0.002 . 2 . . 268 . . 738 GLY HA2 . 27110 1 350 . 1 1 33 33 GLY HA3 H 1 3.970 0.001 . 2 . . 269 . . 738 GLY HA3 . 27110 1 351 . 1 1 33 33 GLY C C 13 174.421 . . 1 . . 180 . . 738 GLY C . 27110 1 352 . 1 1 33 33 GLY CA C 13 45.365 0.033 . 1 . . 73 . . 738 GLY CA . 27110 1 353 . 1 1 33 33 GLY N N 15 108.814 0.035 . 1 . . 70 . . 738 GLY N . 27110 1 354 . 1 1 34 34 GLU H H 1 8.481 0.002 . 1 . . 38 . . 739 GLU H . 27110 1 355 . 1 1 34 34 GLU HA H 1 4.257 0.005 . 1 . . 270 . . 739 GLU HA . 27110 1 356 . 1 1 34 34 GLU HB2 H 1 2.077 . . 2 . . 271 . . 739 GLU HB2 . 27110 1 357 . 1 1 34 34 GLU HB3 H 1 1.981 0.002 . 2 . . 272 . . 739 GLU HB3 . 27110 1 358 . 1 1 34 34 GLU HG2 H 1 2.297 . . 2 . . 454 . . 739 GLU HG2 . 27110 1 359 . 1 1 34 34 GLU HG3 H 1 2.281 . . 2 . . 455 . . 739 GLU HG3 . 27110 1 360 . 1 1 34 34 GLU C C 13 176.995 . . 1 . . 181 . . 739 GLU C . 27110 1 361 . 1 1 34 34 GLU CA C 13 57.148 0.02 . 1 . . 100 . . 739 GLU CA . 27110 1 362 . 1 1 34 34 GLU CB C 13 29.978 0.052 . 1 . . 99 . . 739 GLU CB . 27110 1 363 . 1 1 34 34 GLU CG C 13 36.242 . . 1 . . 510 . . 739 GLU CG . 27110 1 364 . 1 1 34 34 GLU N N 15 120.810 0.035 . 1 . . 39 . . 739 GLU N . 27110 1 365 . 1 1 35 35 ARG H H 1 8.359 0.003 . 1 . . 3 . . 740 ARG H . 27110 1 366 . 1 1 35 35 ARG HA H 1 4.301 0.007 . 1 . . 273 . . 740 ARG HA . 27110 1 367 . 1 1 35 35 ARG HB2 H 1 1.804 0.001 . 2 . . 274 . . 740 ARG HB2 . 27110 1 368 . 1 1 35 35 ARG HB3 H 1 1.888 0.001 . 2 . . 275 . . 740 ARG HB3 . 27110 1 369 . 1 1 35 35 ARG HG2 H 1 1.642 0.011 . 2 . . 305 . . 740 ARG HG2 . 27110 1 370 . 1 1 35 35 ARG HG3 H 1 1.659 . . 2 . . 491 . . 740 ARG HG3 . 27110 1 371 . 1 1 35 35 ARG HD2 H 1 3.218 . . 2 . . 489 . . 740 ARG HD2 . 27110 1 372 . 1 1 35 35 ARG HD3 H 1 3.210 0.009 . 2 . . 490 . . 740 ARG HD3 . 27110 1 373 . 1 1 35 35 ARG C C 13 176.419 . . 1 . . 182 . . 740 ARG C . 27110 1 374 . 1 1 35 35 ARG CA C 13 56.679 0.019 . 1 . . 123 . . 740 ARG CA . 27110 1 375 . 1 1 35 35 ARG CB C 13 30.697 0.022 . 1 . . 124 . . 740 ARG CB . 27110 1 376 . 1 1 35 35 ARG CG C 13 27.190 0.0 . 1 . . 304 . . 740 ARG CG . 27110 1 377 . 1 1 35 35 ARG CD C 13 43.401 0.014 . 1 . . 303 . . 740 ARG CD . 27110 1 378 . 1 1 35 35 ARG N N 15 121.205 0.029 . 1 . . 4 . . 740 ARG N . 27110 1 379 . 1 1 36 36 ASP H H 1 8.297 0.003 . 1 . . 9 . . 741 ASP H . 27110 1 380 . 1 1 36 36 ASP HA H 1 4.591 0.005 . 1 . . 313 . . 741 ASP HA . 27110 1 381 . 1 1 36 36 ASP HB2 H 1 2.748 . . 2 . . 309 . . 741 ASP HB2 . 27110 1 382 . 1 1 36 36 ASP HB3 H 1 2.645 . . 2 . . 311 . . 741 ASP HB3 . 27110 1 383 . 1 1 36 36 ASP C C 13 176.623 . . 1 . . 502 . . 741 ASP C . 27110 1 384 . 1 1 36 36 ASP CA C 13 54.836 0.012 . 1 . . 119 . . 741 ASP CA . 27110 1 385 . 1 1 36 36 ASP CB C 13 40.951 0.001 . 1 . . 88 . . 741 ASP CB . 27110 1 386 . 1 1 36 36 ASP N N 15 120.368 0.043 . 1 . . 310 . . 741 ASP N . 27110 1 387 . 1 1 37 37 ARG H H 1 8.121 0.008 . 1 . . 50 . . 742 ARG H . 27110 1 388 . 1 1 37 37 ARG HA H 1 4.244 0.008 . 1 . . 276 . . 742 ARG HA . 27110 1 389 . 1 1 37 37 ARG HB2 H 1 1.843 . . 2 . . 464 . . 742 ARG HB2 . 27110 1 390 . 1 1 37 37 ARG HB3 H 1 1.821 . . 2 . . 465 . . 742 ARG HB3 . 27110 1 391 . 1 1 37 37 ARG HG2 H 1 1.636 . . 2 . . 466 . . 742 ARG HG2 . 27110 1 392 . 1 1 37 37 ARG HG3 H 1 1.624 . . 2 . . 467 . . 742 ARG HG3 . 27110 1 393 . 1 1 37 37 ARG HD2 H 1 3.212 . . 2 . . 462 . . 742 ARG HD2 . 27110 1 394 . 1 1 37 37 ARG HD3 H 1 3.208 . . 2 . . 463 . . 742 ARG HD3 . 27110 1 395 . 1 1 37 37 ARG C C 13 176.265 . . 1 . . 240 . . 742 ARG C . 27110 1 396 . 1 1 37 37 ARG CA C 13 56.903 0.015 . 1 . . 192 . . 742 ARG CA . 27110 1 397 . 1 1 37 37 ARG CB C 13 30.721 0.042 . 1 . . 89 . . 742 ARG CB . 27110 1 398 . 1 1 37 37 ARG CG C 13 27.067 . . 1 . . 492 . . 742 ARG CG . 27110 1 399 . 1 1 37 37 ARG CD C 13 43.446 . . 1 . . 493 . . 742 ARG CD . 27110 1 400 . 1 1 37 37 ARG N N 15 120.879 0.027 . 1 . . 51 . . 742 ARG N . 27110 1 401 . 1 1 38 38 ASP H H 1 8.306 0.002 . 1 . . 207 . . 743 ASP H . 27110 1 402 . 1 1 38 38 ASP HA H 1 4.595 0.002 . 1 . . 312 . . 743 ASP HA . 27110 1 403 . 1 1 38 38 ASP HB2 H 1 2.762 0.007 . 2 . . 306 . . 743 ASP HB2 . 27110 1 404 . 1 1 38 38 ASP HB3 H 1 2.678 0.011 . 2 . . 308 . . 743 ASP HB3 . 27110 1 405 . 1 1 38 38 ASP C C 13 176.602 . . 1 . . 241 . . 743 ASP C . 27110 1 406 . 1 1 38 38 ASP CA C 13 54.825 0.031 . 1 . . 209 . . 743 ASP CA . 27110 1 407 . 1 1 38 38 ASP CB C 13 40.966 0.01 . 1 . . 208 . . 743 ASP CB . 27110 1 408 . 1 1 38 38 ASP N N 15 120.368 0.046 . 1 . . 307 . . 743 ASP N . 27110 1 409 . 1 1 39 39 ARG H H 1 8.173 0.003 . 1 . . 16 . . 744 ARG H . 27110 1 410 . 1 1 39 39 ARG HA H 1 4.308 0.008 . 1 . . 277 . . 744 ARG HA . 27110 1 411 . 1 1 39 39 ARG HB2 H 1 1.939 0.004 . 2 . . 278 . . 744 ARG HB2 . 27110 1 412 . 1 1 39 39 ARG HB3 H 1 1.805 0.006 . 2 . . 279 . . 744 ARG HB3 . 27110 1 413 . 1 1 39 39 ARG HG2 H 1 1.675 0.006 . 2 . . 468 . . 744 ARG HG2 . 27110 1 414 . 1 1 39 39 ARG HG3 H 1 1.659 0.007 . 2 . . 469 . . 744 ARG HG3 . 27110 1 415 . 1 1 39 39 ARG HD2 H 1 3.225 . . 2 . . 474 . . 744 ARG HD2 . 27110 1 416 . 1 1 39 39 ARG HD3 H 1 3.223 . . 2 . . 475 . . 744 ARG HD3 . 27110 1 417 . 1 1 39 39 ARG C C 13 176.661 . . 1 . . 183 . . 744 ARG C . 27110 1 418 . 1 1 39 39 ARG CA C 13 56.654 0.015 . 1 . . 132 . . 744 ARG CA . 27110 1 419 . 1 1 39 39 ARG CB C 13 30.475 0.029 . 1 . . 114 . . 744 ARG CB . 27110 1 420 . 1 1 39 39 ARG CG C 13 27.247 . . 1 . . 494 . . 744 ARG CG . 27110 1 421 . 1 1 39 39 ARG CD C 13 43.439 . . 1 . . 495 . . 744 ARG CD . 27110 1 422 . 1 1 39 39 ARG N N 15 121.535 0.039 . 1 . . 17 . . 744 ARG N . 27110 1 423 . 1 1 40 40 SER H H 1 8.331 0.002 . 1 . . 67 . . 745 SER H . 27110 1 424 . 1 1 40 40 SER HA H 1 4.400 0.01 . 1 . . 280 . . 745 SER HA . 27110 1 425 . 1 1 40 40 SER HB2 H 1 3.903 0.007 . 2 . . 281 . . 745 SER HB2 . 27110 1 426 . 1 1 40 40 SER HB3 H 1 3.895 0.004 . 2 . . 282 . . 745 SER HB3 . 27110 1 427 . 1 1 40 40 SER C C 13 174.623 . . 1 . . 184 . . 745 SER C . 27110 1 428 . 1 1 40 40 SER CA C 13 59.193 0.042 . 1 . . 71 . . 745 SER CA . 27110 1 429 . 1 1 40 40 SER CB C 13 63.742 0.003 . 1 . . 78 . . 745 SER CB . 27110 1 430 . 1 1 40 40 SER N N 15 116.324 0.051 . 1 . . 68 . . 745 SER N . 27110 1 431 . 1 1 41 41 ILE H H 1 7.923 0.004 . 1 . . 14 . . 746 ILE H . 27110 1 432 . 1 1 41 41 ILE HA H 1 4.164 0.007 . 1 . . 283 . . 746 ILE HA . 27110 1 433 . 1 1 41 41 ILE HB H 1 1.887 0.008 . 1 . . 284 . . 746 ILE HB . 27110 1 434 . 1 1 41 41 ILE HG12 H 1 1.468 0.003 . 2 . . 350 . . 746 ILE HG12 . 27110 1 435 . 1 1 41 41 ILE HG13 H 1 1.188 0.0 . 2 . . 352 . . 746 ILE HG13 . 27110 1 436 . 1 1 41 41 ILE HG21 H 1 0.894 0.001 . 1 . . 354 . . 746 ILE HG21 . 27110 1 437 . 1 1 41 41 ILE HG22 H 1 0.894 0.001 . 1 . . 354 . . 746 ILE HG22 . 27110 1 438 . 1 1 41 41 ILE HG23 H 1 0.894 0.001 . 1 . . 354 . . 746 ILE HG23 . 27110 1 439 . 1 1 41 41 ILE HD11 H 1 0.862 . . 1 . . 356 . . 746 ILE HD11 . 27110 1 440 . 1 1 41 41 ILE HD12 H 1 0.862 . . 1 . . 356 . . 746 ILE HD12 . 27110 1 441 . 1 1 41 41 ILE HD13 H 1 0.862 . . 1 . . 356 . . 746 ILE HD13 . 27110 1 442 . 1 1 41 41 ILE C C 13 176.058 . . 1 . . 185 . . 746 ILE C . 27110 1 443 . 1 1 41 41 ILE CA C 13 61.415 0.017 . 1 . . 115 . . 746 ILE CA . 27110 1 444 . 1 1 41 41 ILE CB C 13 38.671 0.013 . 1 . . 116 . . 746 ILE CB . 27110 1 445 . 1 1 41 41 ILE CG1 C 13 27.381 0.033 . 1 . . 351 . . 746 ILE CG1 . 27110 1 446 . 1 1 41 41 ILE CG2 C 13 17.434 0.032 . 1 . . 353 . . 746 ILE CG2 . 27110 1 447 . 1 1 41 41 ILE CD1 C 13 12.996 0.006 . 1 . . 355 . . 746 ILE CD1 . 27110 1 448 . 1 1 41 41 ILE N N 15 121.928 0.057 . 1 . . 15 . . 746 ILE N . 27110 1 449 . 1 1 42 42 ARG H H 1 8.228 0.003 . 1 . . 42 . . 747 ARG H . 27110 1 450 . 1 1 42 42 ARG HA H 1 4.347 0.01 . 1 . . 285 . . 747 ARG HA . 27110 1 451 . 1 1 42 42 ARG HB2 H 1 1.836 0.001 . 2 . . 286 . . 747 ARG HB2 . 27110 1 452 . 1 1 42 42 ARG HB3 H 1 1.763 0.001 . 2 . . 287 . . 747 ARG HB3 . 27110 1 453 . 1 1 42 42 ARG HG2 H 1 1.587 0.001 . 2 . . 476 . . 747 ARG HG2 . 27110 1 454 . 1 1 42 42 ARG HG3 H 1 1.592 0.004 . 2 . . 501 . . 747 ARG HG3 . 27110 1 455 . 1 1 42 42 ARG HD2 H 1 3.201 0.006 . 2 . . 357 . . 747 ARG HD2 . 27110 1 456 . 1 1 42 42 ARG HD3 H 1 3.201 0.006 . 2 . . 497 . . 747 ARG HD3 . 27110 1 457 . 1 1 42 42 ARG C C 13 175.959 . . 1 . . 186 . . 747 ARG C . 27110 1 458 . 1 1 42 42 ARG CA C 13 56.052 0.054 . 1 . . 96 . . 747 ARG CA . 27110 1 459 . 1 1 42 42 ARG CB C 13 30.884 0.018 . 1 . . 95 . . 747 ARG CB . 27110 1 460 . 1 1 42 42 ARG CG C 13 27.244 0.021 . 1 . . 500 . . 747 ARG CG . 27110 1 461 . 1 1 42 42 ARG CD C 13 43.433 0.005 . 1 . . 499 . . 747 ARG CD . 27110 1 462 . 1 1 42 42 ARG N N 15 124.684 0.033 . 1 . . 43 . . 747 ARG N . 27110 1 463 . 1 1 43 43 LEU H H 1 8.248 0.004 . 1 . . 46 . . 748 LEU H . 27110 1 464 . 1 1 43 43 LEU HA H 1 4.390 0.007 . 1 . . 288 . . 748 LEU HA . 27110 1 465 . 1 1 43 43 LEU HB2 H 1 1.590 0.01 . 2 . . 375 . . 748 LEU HB2 . 27110 1 466 . 1 1 43 43 LEU HB3 H 1 1.659 0.008 . 2 . . 376 . . 748 LEU HB3 . 27110 1 467 . 1 1 43 43 LEU HG H 1 1.600 . . 1 . . 378 . . 748 LEU HG . 27110 1 468 . 1 1 43 43 LEU HD11 H 1 0.918 . . 2 . . 379 . . 748 LEU HD11 . 27110 1 469 . 1 1 43 43 LEU HD12 H 1 0.918 . . 2 . . 379 . . 748 LEU HD12 . 27110 1 470 . 1 1 43 43 LEU HD13 H 1 0.918 . . 2 . . 379 . . 748 LEU HD13 . 27110 1 471 . 1 1 43 43 LEU HD21 H 1 0.862 . . 2 . . 381 . . 748 LEU HD21 . 27110 1 472 . 1 1 43 43 LEU HD22 H 1 0.862 . . 2 . . 381 . . 748 LEU HD22 . 27110 1 473 . 1 1 43 43 LEU HD23 H 1 0.862 . . 2 . . 381 . . 748 LEU HD23 . 27110 1 474 . 1 1 43 43 LEU C C 13 177.215 . . 1 . . 188 . . 748 LEU C . 27110 1 475 . 1 1 43 43 LEU CA C 13 55.186 0.009 . 1 . . 93 . . 748 LEU CA . 27110 1 476 . 1 1 43 43 LEU CB C 13 42.288 0.022 . 1 . . 92 . . 748 LEU CB . 27110 1 477 . 1 1 43 43 LEU CG C 13 27.078 0.024 . 1 . . 377 . . 748 LEU CG . 27110 1 478 . 1 1 43 43 LEU CD1 C 13 24.938 0.006 . 2 . . 374 . . 748 LEU CD1 . 27110 1 479 . 1 1 43 43 LEU CD2 C 13 23.513 0.003 . 2 . . 380 . . 748 LEU CD2 . 27110 1 480 . 1 1 43 43 LEU N N 15 123.939 0.032 . 1 . . 47 . . 748 LEU N . 27110 1 481 . 1 1 44 44 VAL H H 1 8.050 0.002 . 1 . . 134 . . 749 VAL H . 27110 1 482 . 1 1 44 44 VAL HA H 1 4.113 0.007 . 1 . . 294 . . 749 VAL HA . 27110 1 483 . 1 1 44 44 VAL HB H 1 2.095 . . 1 . . 295 . . 749 VAL HB . 27110 1 484 . 1 1 44 44 VAL HG11 H 1 0.945 . . 2 . . 446 . . 749 VAL HG11 . 27110 1 485 . 1 1 44 44 VAL HG12 H 1 0.945 . . 2 . . 446 . . 749 VAL HG12 . 27110 1 486 . 1 1 44 44 VAL HG13 H 1 0.945 . . 2 . . 446 . . 749 VAL HG13 . 27110 1 487 . 1 1 44 44 VAL HG21 H 1 0.946 . . 2 . . 447 . . 749 VAL HG21 . 27110 1 488 . 1 1 44 44 VAL HG22 H 1 0.946 . . 2 . . 447 . . 749 VAL HG22 . 27110 1 489 . 1 1 44 44 VAL HG23 H 1 0.946 . . 2 . . 447 . . 749 VAL HG23 . 27110 1 490 . 1 1 44 44 VAL C C 13 175.853 . . 1 . . 189 . . 749 VAL C . 27110 1 491 . 1 1 44 44 VAL CA C 13 62.485 0.029 . 1 . . 135 . . 749 VAL CA . 27110 1 492 . 1 1 44 44 VAL CB C 13 32.807 0.008 . 1 . . 136 . . 749 VAL CB . 27110 1 493 . 1 1 44 44 VAL CG1 C 13 21.144 . . 2 . . 444 . . 749 VAL CG1 . 27110 1 494 . 1 1 44 44 VAL CG2 C 13 20.540 . . 2 . . 445 . . 749 VAL CG2 . 27110 1 495 . 1 1 44 44 VAL N N 15 120.587 0.042 . 1 . . 133 . . 749 VAL N . 27110 1 496 . 1 1 45 45 ASN H H 1 8.458 0.002 . 1 . . 18 . . 750 ASN H . 27110 1 497 . 1 1 45 45 ASN HA H 1 4.768 0.001 . 1 . . 291 . . 750 ASN HA . 27110 1 498 . 1 1 45 45 ASN HB2 H 1 2.864 . . 2 . . 292 . . 750 ASN HB2 . 27110 1 499 . 1 1 45 45 ASN HB3 H 1 2.757 . . 2 . . 293 . . 750 ASN HB3 . 27110 1 500 . 1 1 45 45 ASN HD21 H 1 6.858 . . 1 . . 12 . . 750 ASN HD21 . 27110 1 501 . 1 1 45 45 ASN HD22 H 1 7.591 0.003 . 1 . . 64 . . 750 ASN HD22 . 27110 1 502 . 1 1 45 45 ASN C C 13 174.434 . . 1 . . 190 . . 750 ASN C . 27110 1 503 . 1 1 45 45 ASN CA C 13 53.351 0.03 . 1 . . 112 . . 750 ASN CA . 27110 1 504 . 1 1 45 45 ASN CB C 13 39.285 0.038 . 1 . . 113 . . 750 ASN CB . 27110 1 505 . 1 1 45 45 ASN N N 15 122.146 0.041 . 1 . . 19 . . 750 ASN N . 27110 1 506 . 1 1 45 45 ASN ND2 N 15 112.867 0.029 . 1 . . 13 . . 750 ASN ND2 . 27110 1 507 . 1 1 46 46 GLY H H 1 7.857 0.006 . 1 . . 34 . . 751 GLY H . 27110 1 508 . 1 1 46 46 GLY HA2 H 1 3.794 0.007 . 2 . . 289 . . 751 GLY HA2 . 27110 1 509 . 1 1 46 46 GLY HA3 H 1 3.728 0.001 . 2 . . 290 . . 751 GLY HA3 . 27110 1 510 . 1 1 46 46 GLY CA C 13 46.357 0.036 . 1 . . 77 . . 751 GLY CA . 27110 1 511 . 1 1 46 46 GLY N N 15 115.436 0.041 . 1 . . 35 . . 751 GLY N . 27110 1 stop_ save_