data_34234 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34234 _Entry.Title ; E.coli Sigma factor S (RpoS) Region 4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-01-17 _Entry.Accession_date 2018-01-17 _Entry.Last_release_date 2018-05-29 _Entry.Original_release_date 2018-05-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34234 stop_ 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 B. Liu B. . . . 34234 2 S. Matthews S. J. . . 34234 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Apo-RpoS region 4' . 34234 'Free RpoS region4' . 34234 'RNA binding protein' . 34234 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34234 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 390 34234 '15N chemical shifts' 96 34234 '1H chemical shifts' 647 34234 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 . . 2019-08-13 2018-01-17 update BMRB 'update entry citation' 34234 1 . . 2018-06-01 2018-01-17 original author 'original release' 34234 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6FI7 . 34234 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34234 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1073/pnas.1800429115 _Citation.PubMed_ID 29789383 _Citation.Full_citation . _Citation.Title ; T7 phage factor required for managing RpoS inEscherichia coli. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 115 _Citation.Journal_issue 23 _Citation.Journal_ASTM PNASA6 _Citation.Journal_ISSN 1091-6490 _Citation.Journal_CSD 0040 _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 E5353 _Citation.Page_last E5362 _Citation.Year 2018 _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 A. Tabib-Salazar A. . . . 34234 1 2 B. Liu B. . . . 34234 1 3 D. Barker D. . . . 34234 1 4 L. Burchell L. . . . 34234 1 5 U. Qimron U. . . . 34234 1 6 S. Matthews S. J. . . 34234 1 7 S. Wigneshweraraj S. . . . 34234 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34234 _Assembly.ID 1 _Assembly.Name 'RNA polymerase sigma factor RpoS' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34234 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34234 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPEDTTQDDDMKQSIVKWLF ELNAKQREVLARRFGLLGYE AATLEDVGREIGLTRERVRQ IQVEGLRRLREILQTQGLNI EALFRE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10041.383 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Sigma S' na 34234 1 Sigma-38 na 34234 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 13 GLY . 34234 1 2 14 PRO . 34234 1 3 15 GLU . 34234 1 4 16 ASP . 34234 1 5 17 THR . 34234 1 6 18 THR . 34234 1 7 19 GLN . 34234 1 8 20 ASP . 34234 1 9 21 ASP . 34234 1 10 22 ASP . 34234 1 11 23 MET . 34234 1 12 24 LYS . 34234 1 13 25 GLN . 34234 1 14 26 SER . 34234 1 15 27 ILE . 34234 1 16 28 VAL . 34234 1 17 29 LYS . 34234 1 18 30 TRP . 34234 1 19 31 LEU . 34234 1 20 32 PHE . 34234 1 21 33 GLU . 34234 1 22 34 LEU . 34234 1 23 35 ASN . 34234 1 24 36 ALA . 34234 1 25 37 LYS . 34234 1 26 38 GLN . 34234 1 27 39 ARG . 34234 1 28 40 GLU . 34234 1 29 41 VAL . 34234 1 30 42 LEU . 34234 1 31 43 ALA . 34234 1 32 44 ARG . 34234 1 33 45 ARG . 34234 1 34 46 PHE . 34234 1 35 47 GLY . 34234 1 36 48 LEU . 34234 1 37 49 LEU . 34234 1 38 50 GLY . 34234 1 39 51 TYR . 34234 1 40 52 GLU . 34234 1 41 53 ALA . 34234 1 42 54 ALA . 34234 1 43 55 THR . 34234 1 44 56 LEU . 34234 1 45 57 GLU . 34234 1 46 58 ASP . 34234 1 47 59 VAL . 34234 1 48 60 GLY . 34234 1 49 61 ARG . 34234 1 50 62 GLU . 34234 1 51 63 ILE . 34234 1 52 64 GLY . 34234 1 53 65 LEU . 34234 1 54 66 THR . 34234 1 55 67 ARG . 34234 1 56 68 GLU . 34234 1 57 69 ARG . 34234 1 58 70 VAL . 34234 1 59 71 ARG . 34234 1 60 72 GLN . 34234 1 61 73 ILE . 34234 1 62 74 GLN . 34234 1 63 75 VAL . 34234 1 64 76 GLU . 34234 1 65 77 GLY . 34234 1 66 78 LEU . 34234 1 67 79 ARG . 34234 1 68 80 ARG . 34234 1 69 81 LEU . 34234 1 70 82 ARG . 34234 1 71 83 GLU . 34234 1 72 84 ILE . 34234 1 73 85 LEU . 34234 1 74 86 GLN . 34234 1 75 87 THR . 34234 1 76 88 GLN . 34234 1 77 89 GLY . 34234 1 78 90 LEU . 34234 1 79 91 ASN . 34234 1 80 92 ILE . 34234 1 81 93 GLU . 34234 1 82 94 ALA . 34234 1 83 95 LEU . 34234 1 84 96 PHE . 34234 1 85 97 ARG . 34234 1 86 98 GLU . 34234 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 34234 1 . PRO 2 2 34234 1 . GLU 3 3 34234 1 . ASP 4 4 34234 1 . THR 5 5 34234 1 . THR 6 6 34234 1 . GLN 7 7 34234 1 . ASP 8 8 34234 1 . ASP 9 9 34234 1 . ASP 10 10 34234 1 . MET 11 11 34234 1 . LYS 12 12 34234 1 . GLN 13 13 34234 1 . SER 14 14 34234 1 . ILE 15 15 34234 1 . VAL 16 16 34234 1 . LYS 17 17 34234 1 . TRP 18 18 34234 1 . LEU 19 19 34234 1 . PHE 20 20 34234 1 . GLU 21 21 34234 1 . LEU 22 22 34234 1 . ASN 23 23 34234 1 . ALA 24 24 34234 1 . LYS 25 25 34234 1 . GLN 26 26 34234 1 . ARG 27 27 34234 1 . GLU 28 28 34234 1 . VAL 29 29 34234 1 . LEU 30 30 34234 1 . ALA 31 31 34234 1 . ARG 32 32 34234 1 . ARG 33 33 34234 1 . PHE 34 34 34234 1 . GLY 35 35 34234 1 . LEU 36 36 34234 1 . LEU 37 37 34234 1 . GLY 38 38 34234 1 . TYR 39 39 34234 1 . GLU 40 40 34234 1 . ALA 41 41 34234 1 . ALA 42 42 34234 1 . THR 43 43 34234 1 . LEU 44 44 34234 1 . GLU 45 45 34234 1 . ASP 46 46 34234 1 . VAL 47 47 34234 1 . GLY 48 48 34234 1 . ARG 49 49 34234 1 . GLU 50 50 34234 1 . ILE 51 51 34234 1 . GLY 52 52 34234 1 . LEU 53 53 34234 1 . THR 54 54 34234 1 . ARG 55 55 34234 1 . GLU 56 56 34234 1 . ARG 57 57 34234 1 . VAL 58 58 34234 1 . ARG 59 59 34234 1 . GLN 60 60 34234 1 . ILE 61 61 34234 1 . GLN 62 62 34234 1 . VAL 63 63 34234 1 . GLU 64 64 34234 1 . GLY 65 65 34234 1 . LEU 66 66 34234 1 . ARG 67 67 34234 1 . ARG 68 68 34234 1 . LEU 69 69 34234 1 . ARG 70 70 34234 1 . GLU 71 71 34234 1 . ILE 72 72 34234 1 . LEU 73 73 34234 1 . GLN 74 74 34234 1 . THR 75 75 34234 1 . GLN 76 76 34234 1 . GLY 77 77 34234 1 . LEU 78 78 34234 1 . ASN 79 79 34234 1 . ILE 80 80 34234 1 . GLU 81 81 34234 1 . ALA 82 82 34234 1 . LEU 83 83 34234 1 . PHE 84 84 34234 1 . ARG 85 85 34234 1 . GLU 86 86 34234 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 34234 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 83333 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . 'rpoS, appR, katF, nur, otsX, sigS, b2741, JW5437' . 34234 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 34234 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34234 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34234 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-99% 13C; U-99% 15N] E.coli Sigma factor S region 4, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'E.coli Sigma factor S region 4' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM 0.1 . . . 34234 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 34234 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 350 0.2 mM 34234 1 pH 6 . pH 34234 1 pressure 1 . atm 34234 1 temperature 298 . K 34234 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34234 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 34234 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34234 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34234 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34234 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34234 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34234 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 34234 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34234 3 . 'peak picking' 34234 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34234 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Advance HD III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34234 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Advance HD III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34234 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'Advance HD III' . 600 . . . 34234 1 2 NMR_spectrometer_2 Bruker 'Advance HD III' . 800 . . . 34234 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 34234 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34234 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34234 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34234 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34234 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34234 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34234 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34234 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34234 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34234 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34234 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34234 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 water protons . . . . ppm 4.78 internal indirect 0.25 . . . . . 34234 1 H 1 water protons . . . . ppm 4.78 internal indirect 1.0 . . . . . 34234 1 N 15 water protons . . . . ppm 4.78 internal indirect 0.1 . . . . . 34234 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34234 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34234 1 2 '3D CBCA(CO)NH' . . . 34234 1 3 '3D HNCO' . . . 34234 1 4 '3D HNCACB' . . . 34234 1 5 '3D HCCH-TOCSY' . . . 34234 1 6 '3D HN(CO)CA' . . . 34234 1 7 '3D HBHA(CO)NH' . . . 34234 1 8 '3D 1H-15N NOESY' . . . 34234 1 9 '3D 1H-13C NOESY aliphatic' . . . 34234 1 10 '3D 1H-13C NOESY aromatic' . . . 34234 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 1 1 GLY H H 1 8.256 . . . . . . . A 13 GLY H1 . 34234 1 2 . 1 1 1 1 GLY HA2 H 1 4.041 . . . . . . . A 13 GLY HA3 . 34234 1 3 . 1 1 1 1 GLY HA3 H 1 3.698 . . . . . . . A 13 GLY HA3 . 34234 1 4 . 1 1 1 1 GLY C C 13 172.107 . . . . . . . A 13 GLY C . 34234 1 5 . 1 1 1 1 GLY CA C 13 44.246 . . . . . . . A 13 GLY CA . 34234 1 6 . 1 1 1 1 GLY N N 15 109.664 . . . . . . . A 13 GLY N . 34234 1 7 . 1 1 2 2 PRO HA H 1 4.417 . . . . . . . A 14 PRO HA . 34234 1 8 . 1 1 2 2 PRO HB2 H 1 2.262 . . . . . . . A 14 PRO HB2 . 34234 1 9 . 1 1 2 2 PRO HB3 H 1 1.943 . . . . . . . A 14 PRO HB3 . 34234 1 10 . 1 1 2 2 PRO HG2 H 1 1.990 . . . . . . . A 14 PRO HG2 . 34234 1 11 . 1 1 2 2 PRO HG3 H 1 1.990 . . . . . . . A 14 PRO HG3 . 34234 1 12 . 1 1 2 2 PRO HD2 H 1 3.620 . . . . . . . A 14 PRO HD2 . 34234 1 13 . 1 1 2 2 PRO HD3 H 1 3.620 . . . . . . . A 14 PRO HD3 . 34234 1 14 . 1 1 2 2 PRO CA C 13 63.332 . . . . . . . A 14 PRO CA . 34234 1 15 . 1 1 2 2 PRO CB C 13 32.146 . . . . . . . A 14 PRO CB . 34234 1 16 . 1 1 2 2 PRO CG C 13 27.204 . . . . . . . A 14 PRO CG . 34234 1 17 . 1 1 2 2 PRO CD C 13 49.800 . . . . . . . A 14 PRO CD . 34234 1 18 . 1 1 3 3 GLU H H 1 8.600 . . . . . . . A 15 GLU H . 34234 1 19 . 1 1 3 3 GLU HA H 1 4.270 . . . . . . . A 15 GLU HA . 34234 1 20 . 1 1 3 3 GLU HB2 H 1 2.050 . . . . . . . A 15 GLU HB2 . 34234 1 21 . 1 1 3 3 GLU HB3 H 1 1.920 . . . . . . . A 15 GLU HB3 . 34234 1 22 . 1 1 3 3 GLU HG2 H 1 2.269 . . . . . . . A 15 GLU HG2 . 34234 1 23 . 1 1 3 3 GLU HG3 H 1 2.269 . . . . . . . A 15 GLU HG3 . 34234 1 24 . 1 1 3 3 GLU C C 13 176.332 . . . . . . . A 15 GLU C . 34234 1 25 . 1 1 3 3 GLU CA C 13 56.604 . . . . . . . A 15 GLU CA . 34234 1 26 . 1 1 3 3 GLU CB C 13 30.100 . . . . . . . A 15 GLU CB . 34234 1 27 . 1 1 3 3 GLU CG C 13 36.210 . . . . . . . A 15 GLU CG . 34234 1 28 . 1 1 3 3 GLU N N 15 120.600 . . . . . . . A 15 GLU N . 34234 1 29 . 1 1 4 4 ASP H H 1 8.340 . . . . . . . A 16 ASP H . 34234 1 30 . 1 1 4 4 ASP HA H 1 4.726 . . . . . . . A 16 ASP HA . 34234 1 31 . 1 1 4 4 ASP HB2 H 1 2.780 . . . . . . . A 16 ASP HB2 . 34234 1 32 . 1 1 4 4 ASP HB3 H 1 2.647 . . . . . . . A 16 ASP HB3 . 34234 1 33 . 1 1 4 4 ASP C C 13 176.633 . . . . . . . A 16 ASP C . 34234 1 34 . 1 1 4 4 ASP CA C 13 54.164 . . . . . . . A 16 ASP CA . 34234 1 35 . 1 1 4 4 ASP CB C 13 41.309 . . . . . . . A 16 ASP CB . 34234 1 36 . 1 1 4 4 ASP N N 15 121.500 . . . . . . . A 16 ASP N . 34234 1 37 . 1 1 5 5 THR H H 1 8.204 . . . . . . . A 17 THR H . 34234 1 38 . 1 1 5 5 THR HA H 1 4.433 . . . . . . . A 17 THR HA . 34234 1 39 . 1 1 5 5 THR HB H 1 4.341 . . . . . . . A 17 THR HB . 34234 1 40 . 1 1 5 5 THR HG21 H 1 1.200 . . . . . . . A 17 THR HG21 . 34234 1 41 . 1 1 5 5 THR HG22 H 1 1.200 . . . . . . . A 17 THR HG22 . 34234 1 42 . 1 1 5 5 THR HG23 H 1 1.200 . . . . . . . A 17 THR HG23 . 34234 1 43 . 1 1 5 5 THR C C 13 175.151 . . . . . . . A 17 THR C . 34234 1 44 . 1 1 5 5 THR CA C 13 61.850 . . . . . . . A 17 THR CA . 34234 1 45 . 1 1 5 5 THR CB C 13 69.746 . . . . . . . A 17 THR CB . 34234 1 46 . 1 1 5 5 THR CG2 C 13 21.515 . . . . . . . A 17 THR CG2 . 34234 1 47 . 1 1 5 5 THR N N 15 114.736 . . . . . . . A 17 THR N . 34234 1 48 . 1 1 6 6 THR H H 1 8.328 . . . . . . . A 18 THR H . 34234 1 49 . 1 1 6 6 THR HA H 1 4.318 . . . . . . . A 18 THR HA . 34234 1 50 . 1 1 6 6 THR HB H 1 4.243 . . . . . . . A 18 THR HB . 34234 1 51 . 1 1 6 6 THR HG21 H 1 1.220 . . . . . . . A 18 THR HG21 . 34234 1 52 . 1 1 6 6 THR HG22 H 1 1.220 . . . . . . . A 18 THR HG22 . 34234 1 53 . 1 1 6 6 THR HG23 H 1 1.220 . . . . . . . A 18 THR HG23 . 34234 1 54 . 1 1 6 6 THR C C 13 174.870 . . . . . . . A 18 THR C . 34234 1 55 . 1 1 6 6 THR CA C 13 62.587 . . . . . . . A 18 THR CA . 34234 1 56 . 1 1 6 6 THR CB C 13 69.879 . . . . . . . A 18 THR CB . 34234 1 57 . 1 1 6 6 THR CG2 C 13 21.515 . . . . . . . A 18 THR CG2 . 34234 1 58 . 1 1 6 6 THR N N 15 116.454 . . . . . . . A 18 THR N . 34234 1 59 . 1 1 7 7 GLN H H 1 8.431 . . . . . . . A 19 GLN H . 34234 1 60 . 1 1 7 7 GLN HA H 1 4.350 . . . . . . . A 19 GLN HA . 34234 1 61 . 1 1 7 7 GLN HB2 H 1 2.139 . . . . . . . A 19 GLN HB2 . 34234 1 62 . 1 1 7 7 GLN HB3 H 1 2.000 . . . . . . . A 19 GLN HB3 . 34234 1 63 . 1 1 7 7 GLN HG2 H 1 2.362 . . . . . . . A 19 GLN HG2 . 34234 1 64 . 1 1 7 7 GLN HG3 H 1 2.357 . . . . . . . A 19 GLN HG3 . 34234 1 65 . 1 1 7 7 GLN C C 13 176.072 . . . . . . . A 19 GLN C . 34234 1 66 . 1 1 7 7 GLN CA C 13 56.221 . . . . . . . A 19 GLN CA . 34234 1 67 . 1 1 7 7 GLN CB C 13 29.360 . . . . . . . A 19 GLN CB . 34234 1 68 . 1 1 7 7 GLN CG C 13 33.830 . . . . . . . A 19 GLN CG . 34234 1 69 . 1 1 7 7 GLN N N 15 122.321 . . . . . . . A 19 GLN N . 34234 1 70 . 1 1 7 7 GLN NE2 N 15 112.000 . . . . . . . A 19 GLN NE2 . 34234 1 71 . 1 1 8 8 ASP H H 1 8.326 . . . . . . . A 20 ASP H . 34234 1 72 . 1 1 8 8 ASP HA H 1 4.587 . . . . . . . A 20 ASP HA . 34234 1 73 . 1 1 8 8 ASP HB2 H 1 2.730 . . . . . . . A 20 ASP HB2 . 34234 1 74 . 1 1 8 8 ASP HB3 H 1 2.670 . . . . . . . A 20 ASP HB3 . 34234 1 75 . 1 1 8 8 ASP CA C 13 54.507 . . . . . . . A 20 ASP CA . 34234 1 76 . 1 1 8 8 ASP CB C 13 41.313 . . . . . . . A 20 ASP CB . 34234 1 77 . 1 1 8 8 ASP N N 15 121.800 . . . . . . . A 20 ASP N . 34234 1 78 . 1 1 9 9 ASP H H 1 8.231 . . . . . . . A 21 ASP H . 34234 1 79 . 1 1 9 9 ASP HA H 1 4.583 . . . . . . . A 21 ASP HA . 34234 1 80 . 1 1 9 9 ASP HB2 H 1 2.685 . . . . . . . A 21 ASP HB2 . 34234 1 81 . 1 1 9 9 ASP HB3 H 1 2.715 . . . . . . . A 21 ASP HB3 . 34234 1 82 . 1 1 9 9 ASP CA C 13 55.060 . . . . . . . A 21 ASP CA . 34234 1 83 . 1 1 9 9 ASP CB C 13 41.175 . . . . . . . A 21 ASP CB . 34234 1 84 . 1 1 9 9 ASP N N 15 120.500 . . . . . . . A 21 ASP N . 34234 1 85 . 1 1 10 10 ASP H H 1 8.336 . . . . . . . A 22 ASP H . 34234 1 86 . 1 1 10 10 ASP HA H 1 4.533 . . . . . . . A 22 ASP HA . 34234 1 87 . 1 1 10 10 ASP HB2 H 1 2.745 . . . . . . . A 22 ASP HB2 . 34234 1 88 . 1 1 10 10 ASP HB3 H 1 2.745 . . . . . . . A 22 ASP HB3 . 34234 1 89 . 1 1 10 10 ASP C C 13 178.035 . . . . . . . A 22 ASP C . 34234 1 90 . 1 1 10 10 ASP CA C 13 55.459 . . . . . . . A 22 ASP CA . 34234 1 91 . 1 1 10 10 ASP CB C 13 41.075 . . . . . . . A 22 ASP CB . 34234 1 92 . 1 1 10 10 ASP N N 15 120.997 . . . . . . . A 22 ASP N . 34234 1 93 . 1 1 11 11 MET H H 1 8.386 . . . . . . . A 23 MET H . 34234 1 94 . 1 1 11 11 MET HA H 1 4.324 . . . . . . . A 23 MET HA . 34234 1 95 . 1 1 11 11 MET HB2 H 1 2.076 . . . . . . . A 23 MET HB2 . 34234 1 96 . 1 1 11 11 MET HB3 H 1 2.179 . . . . . . . A 23 MET HB3 . 34234 1 97 . 1 1 11 11 MET HG2 H 1 2.600 . . . . . . . A 23 MET HG2 . 34234 1 98 . 1 1 11 11 MET HG3 H 1 2.560 . . . . . . . A 23 MET HG3 . 34234 1 99 . 1 1 11 11 MET HE1 H 1 2.069 . . . . . . . A 23 MET HE1 . 34234 1 100 . 1 1 11 11 MET HE2 H 1 2.069 . . . . . . . A 23 MET HE2 . 34234 1 101 . 1 1 11 11 MET HE3 H 1 2.069 . . . . . . . A 23 MET HE3 . 34234 1 102 . 1 1 11 11 MET C C 13 178.035 . . . . . . . A 23 MET C . 34234 1 103 . 1 1 11 11 MET CA C 13 57.730 . . . . . . . A 23 MET CA . 34234 1 104 . 1 1 11 11 MET CB C 13 32.080 . . . . . . . A 23 MET CB . 34234 1 105 . 1 1 11 11 MET CG C 13 32.200 . . . . . . . A 23 MET CG . 34234 1 106 . 1 1 11 11 MET CE C 13 17.079 . . . . . . . A 23 MET CE . 34234 1 107 . 1 1 11 11 MET N N 15 121.416 . . . . . . . A 23 MET N . 34234 1 108 . 1 1 12 12 LYS H H 1 8.261 . . . . . . . A 24 LYS H . 34234 1 109 . 1 1 12 12 LYS HA H 1 3.877 . . . . . . . A 24 LYS HA . 34234 1 110 . 1 1 12 12 LYS HB2 H 1 1.880 . . . . . . . A 24 LYS HB2 . 34234 1 111 . 1 1 12 12 LYS HB3 H 1 1.945 . . . . . . . A 24 LYS HB3 . 34234 1 112 . 1 1 12 12 LYS HG2 H 1 1.300 . . . . . . . A 24 LYS HG2 . 34234 1 113 . 1 1 12 12 LYS HG3 H 1 1.300 . . . . . . . A 24 LYS HG3 . 34234 1 114 . 1 1 12 12 LYS HD2 H 1 1.732 . . . . . . . A 24 LYS HD2 . 34234 1 115 . 1 1 12 12 LYS HD3 H 1 1.736 . . . . . . . A 24 LYS HD3 . 34234 1 116 . 1 1 12 12 LYS HE2 H 1 2.981 . . . . . . . A 24 LYS HE2 . 34234 1 117 . 1 1 12 12 LYS HE3 H 1 2.981 . . . . . . . A 24 LYS HE3 . 34234 1 118 . 1 1 12 12 LYS C C 13 178.015 . . . . . . . A 24 LYS C . 34234 1 119 . 1 1 12 12 LYS CA C 13 59.833 . . . . . . . A 24 LYS CA . 34234 1 120 . 1 1 12 12 LYS CB C 13 32.300 . . . . . . . A 24 LYS CB . 34234 1 121 . 1 1 12 12 LYS CG C 13 26.000 . . . . . . . A 24 LYS CG . 34234 1 122 . 1 1 12 12 LYS CD C 13 29.580 . . . . . . . A 24 LYS CD . 34234 1 123 . 1 1 12 12 LYS CE C 13 42.200 . . . . . . . A 24 LYS CE . 34234 1 124 . 1 1 12 12 LYS N N 15 119.480 . . . . . . . A 24 LYS N . 34234 1 125 . 1 1 13 13 GLN H H 1 8.064 . . . . . . . A 25 GLN H . 34234 1 126 . 1 1 13 13 GLN HA H 1 4.180 . . . . . . . A 25 GLN HA . 34234 1 127 . 1 1 13 13 GLN HB2 H 1 2.164 . . . . . . . A 25 GLN HB2 . 34234 1 128 . 1 1 13 13 GLN HB3 H 1 2.164 . . . . . . . A 25 GLN HB3 . 34234 1 129 . 1 1 13 13 GLN HG2 H 1 2.482 . . . . . . . A 25 GLN HG2 . 34234 1 130 . 1 1 13 13 GLN HG3 H 1 2.482 . . . . . . . A 25 GLN HG3 . 34234 1 131 . 1 1 13 13 GLN HE21 H 1 6.840 . . . . . . . A 25 GLN HE21 . 34234 1 132 . 1 1 13 13 GLN HE22 H 1 7.576 . . . . . . . A 25 GLN HE22 . 34234 1 133 . 1 1 13 13 GLN C C 13 178.335 . . . . . . . A 25 GLN C . 34234 1 134 . 1 1 13 13 GLN CA C 13 57.720 . . . . . . . A 25 GLN CA . 34234 1 135 . 1 1 13 13 GLN CB C 13 28.292 . . . . . . . A 25 GLN CB . 34234 1 136 . 1 1 13 13 GLN CG C 13 33.945 . . . . . . . A 25 GLN CG . 34234 1 137 . 1 1 13 13 GLN N N 15 116.436 . . . . . . . A 25 GLN N . 34234 1 138 . 1 1 13 13 GLN NE2 N 15 112.385 . . . . . . . A 25 GLN NE2 . 34234 1 139 . 1 1 14 14 SER H H 1 8.064 . . . . . . . A 26 SER H . 34234 1 140 . 1 1 14 14 SER HA H 1 4.313 . . . . . . . A 26 SER HA . 34234 1 141 . 1 1 14 14 SER HB2 H 1 4.065 . . . . . . . A 26 SER HB2 . 34234 1 142 . 1 1 14 14 SER HB3 H 1 3.883 . . . . . . . A 26 SER HB3 . 34234 1 143 . 1 1 14 14 SER C C 13 178.335 . . . . . . . A 26 SER C . 34234 1 144 . 1 1 14 14 SER CA C 13 61.001 . . . . . . . A 26 SER CA . 34234 1 145 . 1 1 14 14 SER CB C 13 63.404 . . . . . . . A 26 SER CB . 34234 1 146 . 1 1 14 14 SER N N 15 115.680 . . . . . . . A 26 SER N . 34234 1 147 . 1 1 15 15 ILE H H 1 7.874 . . . . . . . A 27 ILE H . 34234 1 148 . 1 1 15 15 ILE HA H 1 4.174 . . . . . . . A 27 ILE HA . 34234 1 149 . 1 1 15 15 ILE HB H 1 2.066 . . . . . . . A 27 ILE HB . 34234 1 150 . 1 1 15 15 ILE HG12 H 1 1.672 . . . . . . . A 27 ILE HG12 . 34234 1 151 . 1 1 15 15 ILE HG13 H 1 1.255 . . . . . . . A 27 ILE HG13 . 34234 1 152 . 1 1 15 15 ILE HG21 H 1 0.948 . . . . . . . A 27 ILE HG21 . 34234 1 153 . 1 1 15 15 ILE HG22 H 1 0.948 . . . . . . . A 27 ILE HG22 . 34234 1 154 . 1 1 15 15 ILE HG23 H 1 0.948 . . . . . . . A 27 ILE HG23 . 34234 1 155 . 1 1 15 15 ILE HD11 H 1 0.793 . . . . . . . A 27 ILE HD11 . 34234 1 156 . 1 1 15 15 ILE HD12 H 1 0.793 . . . . . . . A 27 ILE HD12 . 34234 1 157 . 1 1 15 15 ILE HD13 H 1 0.793 . . . . . . . A 27 ILE HD13 . 34234 1 158 . 1 1 15 15 ILE C C 13 176.913 . . . . . . . A 27 ILE C . 34234 1 159 . 1 1 15 15 ILE CA C 13 63.104 . . . . . . . A 27 ILE CA . 34234 1 160 . 1 1 15 15 ILE CB C 13 38.572 . . . . . . . A 27 ILE CB . 34234 1 161 . 1 1 15 15 ILE CG1 C 13 28.800 . . . . . . . A 27 ILE CG1 . 34234 1 162 . 1 1 15 15 ILE CG2 C 13 18.443 . . . . . . . A 27 ILE CG2 . 34234 1 163 . 1 1 15 15 ILE CD1 C 13 14.469 . . . . . . . A 27 ILE CD1 . 34234 1 164 . 1 1 15 15 ILE N N 15 118.339 . . . . . . . A 27 ILE N . 34234 1 165 . 1 1 16 16 VAL H H 1 7.567 . . . . . . . A 28 VAL H . 34234 1 166 . 1 1 16 16 VAL HA H 1 3.500 . . . . . . . A 28 VAL HA . 34234 1 167 . 1 1 16 16 VAL HB H 1 2.179 . . . . . . . A 28 VAL HB . 34234 1 168 . 1 1 16 16 VAL HG11 H 1 1.047 . . . . . . . A 28 VAL HG11 . 34234 1 169 . 1 1 16 16 VAL HG12 H 1 1.047 . . . . . . . A 28 VAL HG12 . 34234 1 170 . 1 1 16 16 VAL HG13 H 1 1.047 . . . . . . . A 28 VAL HG13 . 34234 1 171 . 1 1 16 16 VAL HG21 H 1 1.175 . . . . . . . A 28 VAL HG21 . 34234 1 172 . 1 1 16 16 VAL HG22 H 1 1.175 . . . . . . . A 28 VAL HG22 . 34234 1 173 . 1 1 16 16 VAL HG23 H 1 1.175 . . . . . . . A 28 VAL HG23 . 34234 1 174 . 1 1 16 16 VAL C C 13 177.093 . . . . . . . A 28 VAL C . 34234 1 175 . 1 1 16 16 VAL CA C 13 67.209 . . . . . . . A 28 VAL CA . 34234 1 176 . 1 1 16 16 VAL CB C 13 31.729 . . . . . . . A 28 VAL CB . 34234 1 177 . 1 1 16 16 VAL CG1 C 13 21.752 . . . . . . . A 28 VAL CG1 . 34234 1 178 . 1 1 16 16 VAL CG2 C 13 23.454 . . . . . . . A 28 VAL CG2 . 34234 1 179 . 1 1 16 16 VAL N N 15 118.712 . . . . . . . A 28 VAL N . 34234 1 180 . 1 1 17 17 LYS H H 1 7.728 . . . . . . . A 29 LYS H . 34234 1 181 . 1 1 17 17 LYS HA H 1 4.030 . . . . . . . A 29 LYS HA . 34234 1 182 . 1 1 17 17 LYS HB2 H 1 1.572 . . . . . . . A 29 LYS HB2 . 34234 1 183 . 1 1 17 17 LYS HB3 H 1 1.370 . . . . . . . A 29 LYS HB3 . 34234 1 184 . 1 1 17 17 LYS HG2 H 1 0.804 . . . . . . . A 29 LYS HG2 . 34234 1 185 . 1 1 17 17 LYS HG3 H 1 0.600 . . . . . . . A 29 LYS HG3 . 34234 1 186 . 1 1 17 17 LYS HD2 H 1 1.250 . . . . . . . A 29 LYS HD2 . 34234 1 187 . 1 1 17 17 LYS HD3 H 1 1.250 . . . . . . . A 29 LYS HD3 . 34234 1 188 . 1 1 17 17 LYS HE2 H 1 2.526 . . . . . . . A 29 LYS HE2 . 34234 1 189 . 1 1 17 17 LYS HE3 H 1 2.526 . . . . . . . A 29 LYS HE3 . 34234 1 190 . 1 1 17 17 LYS C C 13 178.756 . . . . . . . A 29 LYS C . 34234 1 191 . 1 1 17 17 LYS CA C 13 59.132 . . . . . . . A 29 LYS CA . 34234 1 192 . 1 1 17 17 LYS CB C 13 31.460 . . . . . . . A 29 LYS CB . 34234 1 193 . 1 1 17 17 LYS CG C 13 23.560 . . . . . . . A 29 LYS CG . 34234 1 194 . 1 1 17 17 LYS CD C 13 29.080 . . . . . . . A 29 LYS CD . 34234 1 195 . 1 1 17 17 LYS CE C 13 41.741 . . . . . . . A 29 LYS CE . 34234 1 196 . 1 1 17 17 LYS N N 15 116.692 . . . . . . . A 29 LYS N . 34234 1 197 . 1 1 18 18 TRP H H 1 7.486 . . . . . . . A 30 TRP H . 34234 1 198 . 1 1 18 18 TRP HA H 1 4.538 . . . . . . . A 30 TRP HA . 34234 1 199 . 1 1 18 18 TRP HB2 H 1 3.330 . . . . . . . A 30 TRP HB2 . 34234 1 200 . 1 1 18 18 TRP HB3 H 1 3.060 . . . . . . . A 30 TRP HB3 . 34234 1 201 . 1 1 18 18 TRP HD1 H 1 7.310 . . . . . . . A 30 TRP HD1 . 34234 1 202 . 1 1 18 18 TRP HE1 H 1 10.164 . . . . . . . A 30 TRP HE1 . 34234 1 203 . 1 1 18 18 TRP HE3 H 1 7.464 . . . . . . . A 30 TRP HE3 . 34234 1 204 . 1 1 18 18 TRP HZ2 H 1 7.387 . . . . . . . A 30 TRP HZ2 . 34234 1 205 . 1 1 18 18 TRP HZ3 H 1 7.056 . . . . . . . A 30 TRP HZ3 . 34234 1 206 . 1 1 18 18 TRP HH2 H 1 7.115 . . . . . . . A 30 TRP HH2 . 34234 1 207 . 1 1 18 18 TRP C C 13 178.215 . . . . . . . A 30 TRP C . 34234 1 208 . 1 1 18 18 TRP CA C 13 58.598 . . . . . . . A 30 TRP CA . 34234 1 209 . 1 1 18 18 TRP CB C 13 29.360 . . . . . . . A 30 TRP CB . 34234 1 210 . 1 1 18 18 TRP CD1 C 13 133.5 . . . . . . . A 30 TRP CD1 . 34234 1 211 . 1 1 18 18 TRP CE3 C 13 122.47 . . . . . . . A 30 TRP CE3 . 34234 1 212 . 1 1 18 18 TRP CZ2 C 13 116.340 . . . . . . . A 30 TRP CZ2 . 34234 1 213 . 1 1 18 18 TRP CZ3 C 13 123.800 . . . . . . . A 30 TRP CZ3 . 34234 1 214 . 1 1 18 18 TRP CH2 C 13 126.470 . . . . . . . A 30 TRP CH2 . 34234 1 215 . 1 1 18 18 TRP N N 15 119.571 . . . . . . . A 30 TRP N . 34234 1 216 . 1 1 18 18 TRP NE1 N 15 128.500 . . . . . . . A 30 TRP NE1 . 34234 1 217 . 1 1 19 19 LEU H H 1 8.178 . . . . . . . A 31 LEU H . 34234 1 218 . 1 1 19 19 LEU HA H 1 3.945 . . . . . . . A 31 LEU HA . 34234 1 219 . 1 1 19 19 LEU HB2 H 1 1.884 . . . . . . . A 31 LEU HB2 . 34234 1 220 . 1 1 19 19 LEU HB3 H 1 1.173 . . . . . . . A 31 LEU HB3 . 34234 1 221 . 1 1 19 19 LEU HG H 1 0.914 . . . . . . . A 31 LEU HG . 34234 1 222 . 1 1 19 19 LEU HD11 H 1 0.799 . . . . . . . A 31 LEU HD11 . 34234 1 223 . 1 1 19 19 LEU HD12 H 1 0.799 . . . . . . . A 31 LEU HD12 . 34234 1 224 . 1 1 19 19 LEU HD13 H 1 0.799 . . . . . . . A 31 LEU HD13 . 34234 1 225 . 1 1 19 19 LEU HD21 H 1 0.803 . . . . . . . A 31 LEU HD21 . 34234 1 226 . 1 1 19 19 LEU HD22 H 1 0.803 . . . . . . . A 31 LEU HD22 . 34234 1 227 . 1 1 19 19 LEU HD23 H 1 0.803 . . . . . . . A 31 LEU HD23 . 34234 1 228 . 1 1 19 19 LEU C C 13 179.697 . . . . . . . A 31 LEU C . 34234 1 229 . 1 1 19 19 LEU CA C 13 57.577 . . . . . . . A 31 LEU CA . 34234 1 230 . 1 1 19 19 LEU CB C 13 41.335 . . . . . . . A 31 LEU CB . 34234 1 231 . 1 1 19 19 LEU CG C 13 26.084 . . . . . . . A 31 LEU CG . 34234 1 232 . 1 1 19 19 LEU CD1 C 13 24.063 . . . . . . . A 31 LEU CD1 . 34234 1 233 . 1 1 19 19 LEU CD2 C 13 24.075 . . . . . . . A 31 LEU CD2 . 34234 1 234 . 1 1 19 19 LEU N N 15 118.175 . . . . . . . A 31 LEU N . 34234 1 235 . 1 1 20 20 PHE H H 1 7.644 . . . . . . . A 32 PHE H . 34234 1 236 . 1 1 20 20 PHE HA H 1 4.373 . . . . . . . A 32 PHE HA . 34234 1 237 . 1 1 20 20 PHE HB2 H 1 3.354 . . . . . . . A 32 PHE HB2 . 34234 1 238 . 1 1 20 20 PHE HB3 H 1 3.000 . . . . . . . A 32 PHE HB3 . 34234 1 239 . 1 1 20 20 PHE HD1 H 1 7.388 . . . . . . . A 32 PHE HD1 . 34234 1 240 . 1 1 20 20 PHE HD2 H 1 7.384 . . . . . . . A 32 PHE HD2 . 34234 1 241 . 1 1 20 20 PHE HE1 H 1 7.302 . . . . . . . A 32 PHE HE1 . 34234 1 242 . 1 1 20 20 PHE HE2 H 1 7.297 . . . . . . . A 32 PHE HE2 . 34234 1 243 . 1 1 20 20 PHE C C 13 175.471 . . . . . . . A 32 PHE C . 34234 1 244 . 1 1 20 20 PHE CA C 13 60.868 . . . . . . . A 32 PHE CA . 34234 1 245 . 1 1 20 20 PHE CB C 13 37.683 . . . . . . . A 32 PHE CB . 34234 1 246 . 1 1 20 20 PHE CD1 C 13 133.470 . . . . . . . A 32 PHE CD1 . 34234 1 247 . 1 1 20 20 PHE CD2 C 13 133.470 . . . . . . . A 32 PHE CD2 . 34234 1 248 . 1 1 20 20 PHE CE1 C 13 131.800 . . . . . . . A 32 PHE CE1 . 34234 1 249 . 1 1 20 20 PHE CE2 C 13 131.800 . . . . . . . A 32 PHE CE2 . 34234 1 250 . 1 1 20 20 PHE N N 15 115.377 . . . . . . . A 32 PHE N . 34234 1 251 . 1 1 21 21 GLU H H 1 7.660 . . . . . . . A 33 GLU H . 34234 1 252 . 1 1 21 21 GLU HA H 1 4.473 . . . . . . . A 33 GLU HA . 34234 1 253 . 1 1 21 21 GLU HB2 H 1 2.460 . . . . . . . A 33 GLU HB2 . 34234 1 254 . 1 1 21 21 GLU HB3 H 1 2.241 . . . . . . . A 33 GLU HB3 . 34234 1 255 . 1 1 21 21 GLU HG2 H 1 2.360 . . . . . . . A 33 GLU HG2 . 34234 1 256 . 1 1 21 21 GLU HG3 H 1 2.638 . . . . . . . A 33 GLU HG3 . 34234 1 257 . 1 1 21 21 GLU C C 13 177.173 . . . . . . . A 33 GLU C . 34234 1 258 . 1 1 21 21 GLU CA C 13 56.462 . . . . . . . A 33 GLU CA . 34234 1 259 . 1 1 21 21 GLU CB C 13 29.894 . . . . . . . A 33 GLU CB . 34234 1 260 . 1 1 21 21 GLU CG C 13 36.100 . . . . . . . A 33 GLU CG . 34234 1 261 . 1 1 21 21 GLU N N 15 117.632 . . . . . . . A 33 GLU N . 34234 1 262 . 1 1 22 22 LEU H H 1 7.065 . . . . . . . A 34 LEU H . 34234 1 263 . 1 1 22 22 LEU HA H 1 4.533 . . . . . . . A 34 LEU HA . 34234 1 264 . 1 1 22 22 LEU HB2 H 1 1.967 . . . . . . . A 34 LEU HB2 . 34234 1 265 . 1 1 22 22 LEU HB3 H 1 1.875 . . . . . . . A 34 LEU HB3 . 34234 1 266 . 1 1 22 22 LEU HG H 1 1.851 . . . . . . . A 34 LEU HG . 34234 1 267 . 1 1 22 22 LEU HD11 H 1 0.838 . . . . . . . A 34 LEU HD11 . 34234 1 268 . 1 1 22 22 LEU HD12 H 1 0.838 . . . . . . . A 34 LEU HD12 . 34234 1 269 . 1 1 22 22 LEU HD13 H 1 0.838 . . . . . . . A 34 LEU HD13 . 34234 1 270 . 1 1 22 22 LEU HD21 H 1 0.838 . . . . . . . A 34 LEU HD21 . 34234 1 271 . 1 1 22 22 LEU HD22 H 1 0.838 . . . . . . . A 34 LEU HD22 . 34234 1 272 . 1 1 22 22 LEU HD23 H 1 0.838 . . . . . . . A 34 LEU HD23 . 34234 1 273 . 1 1 22 22 LEU C C 13 175.631 . . . . . . . A 34 LEU C . 34234 1 274 . 1 1 22 22 LEU CA C 13 53.579 . . . . . . . A 34 LEU CA . 34234 1 275 . 1 1 22 22 LEU CB C 13 42.570 . . . . . . . A 34 LEU CB . 34234 1 276 . 1 1 22 22 LEU CG C 13 27.070 . . . . . . . A 34 LEU CG . 34234 1 277 . 1 1 22 22 LEU CD1 C 13 22.582 . . . . . . . A 34 LEU CD1 . 34234 1 278 . 1 1 22 22 LEU CD2 C 13 22.565 . . . . . . . A 34 LEU CD2 . 34234 1 279 . 1 1 22 22 LEU N N 15 117.880 . . . . . . . A 34 LEU N . 34234 1 280 . 1 1 23 23 ASN H H 1 7.976 . . . . . . . A 35 ASN H . 34234 1 281 . 1 1 23 23 ASN HA H 1 4.663 . . . . . . . A 35 ASN HA . 34234 1 282 . 1 1 23 23 ASN HB2 H 1 3.274 . . . . . . . A 35 ASN HB2 . 34234 1 283 . 1 1 23 23 ASN HB3 H 1 2.780 . . . . . . . A 35 ASN HB3 . 34234 1 284 . 1 1 23 23 ASN HD21 H 1 6.810 . . . . . . . A 35 ASN HD21 . 34234 1 285 . 1 1 23 23 ASN HD22 H 1 7.622 . . . . . . . A 35 ASN HD22 . 34234 1 286 . 1 1 23 23 ASN C C 13 175.251 . . . . . . . A 35 ASN C . 34234 1 287 . 1 1 23 23 ASN CA C 13 52.700 . . . . . . . A 35 ASN CA . 34234 1 288 . 1 1 23 23 ASN CB C 13 38.338 . . . . . . . A 35 ASN CB . 34234 1 289 . 1 1 23 23 ASN N N 15 117.000 . . . . . . . A 35 ASN N . 34234 1 290 . 1 1 23 23 ASN ND2 N 15 112.730 . . . . . . . A 35 ASN ND2 . 34234 1 291 . 1 1 24 24 ALA H H 1 8.575 . . . . . . . A 36 ALA H . 34234 1 292 . 1 1 24 24 ALA HA H 1 3.874 . . . . . . . A 36 ALA HA . 34234 1 293 . 1 1 24 24 ALA HB1 H 1 1.475 . . . . . . . A 36 ALA HB1 . 34234 1 294 . 1 1 24 24 ALA HB2 H 1 1.475 . . . . . . . A 36 ALA HB2 . 34234 1 295 . 1 1 24 24 ALA HB3 H 1 1.475 . . . . . . . A 36 ALA HB3 . 34234 1 296 . 1 1 24 24 ALA C C 13 180.257 . . . . . . . A 36 ALA C . 34234 1 297 . 1 1 24 24 ALA CA C 13 56.100 . . . . . . . A 36 ALA CA . 34234 1 298 . 1 1 24 24 ALA CB C 13 18.695 . . . . . . . A 36 ALA CB . 34234 1 299 . 1 1 24 24 ALA N N 15 121.299 . . . . . . . A 36 ALA N . 34234 1 300 . 1 1 25 25 LYS H H 1 8.172 . . . . . . . A 37 LYS H . 34234 1 301 . 1 1 25 25 LYS HA H 1 4.145 . . . . . . . A 37 LYS HA . 34234 1 302 . 1 1 25 25 LYS HB2 H 1 1.945 . . . . . . . A 37 LYS HB2 . 34234 1 303 . 1 1 25 25 LYS HB3 H 1 1.755 . . . . . . . A 37 LYS HB3 . 34234 1 304 . 1 1 25 25 LYS HG2 H 1 1.555 . . . . . . . A 37 LYS HG2 . 34234 1 305 . 1 1 25 25 LYS HG3 H 1 1.500 . . . . . . . A 37 LYS HG3 . 34234 1 306 . 1 1 25 25 LYS HD2 H 1 1.720 . . . . . . . A 37 LYS HD2 . 34234 1 307 . 1 1 25 25 LYS HD3 H 1 1.629 . . . . . . . A 37 LYS HD3 . 34234 1 308 . 1 1 25 25 LYS HE2 H 1 2.976 . . . . . . . A 37 LYS HE2 . 34234 1 309 . 1 1 25 25 LYS HE3 H 1 2.971 . . . . . . . A 37 LYS HE3 . 34234 1 310 . 1 1 25 25 LYS C C 13 178.455 . . . . . . . A 37 LYS C . 34234 1 311 . 1 1 25 25 LYS CA C 13 58.932 . . . . . . . A 37 LYS CA . 34234 1 312 . 1 1 25 25 LYS CB C 13 31.836 . . . . . . . A 37 LYS CB . 34234 1 313 . 1 1 25 25 LYS CG C 13 25.000 . . . . . . . A 37 LYS CG . 34234 1 314 . 1 1 25 25 LYS CD C 13 28.457 . . . . . . . A 37 LYS CD . 34234 1 315 . 1 1 25 25 LYS CE C 13 41.724 . . . . . . . A 37 LYS CE . 34234 1 316 . 1 1 25 25 LYS N N 15 118.859 . . . . . . . A 37 LYS N . 34234 1 317 . 1 1 26 26 GLN H H 1 8.097 . . . . . . . A 38 GLN H . 34234 1 318 . 1 1 26 26 GLN HA H 1 3.688 . . . . . . . A 38 GLN HA . 34234 1 319 . 1 1 26 26 GLN HB2 H 1 2.300 . . . . . . . A 38 GLN HB2 . 34234 1 320 . 1 1 26 26 GLN HB3 H 1 1.684 . . . . . . . A 38 GLN HB3 . 34234 1 321 . 1 1 26 26 GLN HG2 H 1 2.696 . . . . . . . A 38 GLN HG2 . 34234 1 322 . 1 1 26 26 GLN HG3 H 1 2.696 . . . . . . . A 38 GLN HG3 . 34234 1 323 . 1 1 26 26 GLN HE21 H 1 6.722 . . . . . . . A 38 GLN HE21 . 34234 1 324 . 1 1 26 26 GLN HE22 H 1 7.744 . . . . . . . A 38 GLN HE22 . 34234 1 325 . 1 1 26 26 GLN C C 13 178.195 . . . . . . . A 38 GLN C . 34234 1 326 . 1 1 26 26 GLN CA C 13 58.700 . . . . . . . A 38 GLN CA . 34234 1 327 . 1 1 26 26 GLN CB C 13 29.230 . . . . . . . A 38 GLN CB . 34234 1 328 . 1 1 26 26 GLN CG C 13 33.889 . . . . . . . A 38 GLN CG . 34234 1 329 . 1 1 26 26 GLN N N 15 117.470 . . . . . . . A 38 GLN N . 34234 1 330 . 1 1 26 26 GLN NE2 N 15 109.460 . . . . . . . A 38 GLN NE2 . 34234 1 331 . 1 1 27 27 ARG H H 1 8.380 . . . . . . . A 39 ARG H . 34234 1 332 . 1 1 27 27 ARG HA H 1 3.711 . . . . . . . A 39 ARG HA . 34234 1 333 . 1 1 27 27 ARG HB2 H 1 1.806 . . . . . . . A 39 ARG HB2 . 34234 1 334 . 1 1 27 27 ARG HB3 H 1 1.805 . . . . . . . A 39 ARG HB3 . 34234 1 335 . 1 1 27 27 ARG HG2 H 1 1.654 . . . . . . . A 39 ARG HG2 . 34234 1 336 . 1 1 27 27 ARG HG3 H 1 1.654 . . . . . . . A 39 ARG HG3 . 34234 1 337 . 1 1 27 27 ARG HD2 H 1 3.169 . . . . . . . A 39 ARG HD2 . 34234 1 338 . 1 1 27 27 ARG HD3 H 1 3.169 . . . . . . . A 39 ARG HD3 . 34234 1 339 . 1 1 27 27 ARG HE H 1 7.560 . . . . . . . A 39 ARG HE . 34234 1 340 . 1 1 27 27 ARG C C 13 176.252 . . . . . . . A 39 ARG C . 34234 1 341 . 1 1 27 27 ARG CA C 13 60.000 . . . . . . . A 39 ARG CA . 34234 1 342 . 1 1 27 27 ARG CB C 13 29.900 . . . . . . . A 39 ARG CB . 34234 1 343 . 1 1 27 27 ARG CG C 13 27.074 . . . . . . . A 39 ARG CG . 34234 1 344 . 1 1 27 27 ARG CD C 13 43.580 . . . . . . . A 39 ARG CD . 34234 1 345 . 1 1 27 27 ARG N N 15 117.692 . . . . . . . A 39 ARG N . 34234 1 346 . 1 1 27 27 ARG NE N 15 128.200 . . . . . . . A 39 ARG NE . 34234 1 347 . 1 1 28 28 GLU H H 1 7.967 . . . . . . . A 40 GLU H . 34234 1 348 . 1 1 28 28 GLU HA H 1 3.862 . . . . . . . A 40 GLU HA . 34234 1 349 . 1 1 28 28 GLU HB2 H 1 2.195 . . . . . . . A 40 GLU HB2 . 34234 1 350 . 1 1 28 28 GLU HB3 H 1 2.194 . . . . . . . A 40 GLU HB3 . 34234 1 351 . 1 1 28 28 GLU HG2 H 1 2.000 . . . . . . . A 40 GLU HG2 . 34234 1 352 . 1 1 28 28 GLU HG3 H 1 2.000 . . . . . . . A 40 GLU HG3 . 34234 1 353 . 1 1 28 28 GLU C C 13 178.355 . . . . . . . A 40 GLU C . 34234 1 354 . 1 1 28 28 GLU CA C 13 59.862 . . . . . . . A 40 GLU CA . 34234 1 355 . 1 1 28 28 GLU CB C 13 29.490 . . . . . . . A 40 GLU CB . 34234 1 356 . 1 1 28 28 GLU CG C 13 36.310 . . . . . . . A 40 GLU CG . 34234 1 357 . 1 1 28 28 GLU N N 15 117.843 . . . . . . . A 40 GLU N . 34234 1 358 . 1 1 29 29 VAL H H 1 8.126 . . . . . . . A 41 VAL H . 34234 1 359 . 1 1 29 29 VAL HA H 1 3.285 . . . . . . . A 41 VAL HA . 34234 1 360 . 1 1 29 29 VAL HB H 1 2.031 . . . . . . . A 41 VAL HB . 34234 1 361 . 1 1 29 29 VAL HG11 H 1 0.772 . . . . . . . A 41 VAL HG11 . 34234 1 362 . 1 1 29 29 VAL HG12 H 1 0.772 . . . . . . . A 41 VAL HG12 . 34234 1 363 . 1 1 29 29 VAL HG13 H 1 0.772 . . . . . . . A 41 VAL HG13 . 34234 1 364 . 1 1 29 29 VAL HG21 H 1 0.916 . . . . . . . A 41 VAL HG21 . 34234 1 365 . 1 1 29 29 VAL HG22 H 1 0.916 . . . . . . . A 41 VAL HG22 . 34234 1 366 . 1 1 29 29 VAL HG23 H 1 0.916 . . . . . . . A 41 VAL HG23 . 34234 1 367 . 1 1 29 29 VAL C C 13 177.274 . . . . . . . A 41 VAL C . 34234 1 368 . 1 1 29 29 VAL CA C 13 67.970 . . . . . . . A 41 VAL CA . 34234 1 369 . 1 1 29 29 VAL CB C 13 31.629 . . . . . . . A 41 VAL CB . 34234 1 370 . 1 1 29 29 VAL CG1 C 13 21.070 . . . . . . . A 41 VAL CG1 . 34234 1 371 . 1 1 29 29 VAL CG2 C 13 24.450 . . . . . . . A 41 VAL CG2 . 34234 1 372 . 1 1 29 29 VAL N N 15 117.374 . . . . . . . A 41 VAL N . 34234 1 373 . 1 1 30 30 LEU H H 1 8.210 . . . . . . . A 42 LEU H . 34234 1 374 . 1 1 30 30 LEU HA H 1 3.931 . . . . . . . A 42 LEU HA . 34234 1 375 . 1 1 30 30 LEU HB2 H 1 1.888 . . . . . . . A 42 LEU HB2 . 34234 1 376 . 1 1 30 30 LEU HB3 H 1 1.262 . . . . . . . A 42 LEU HB3 . 34234 1 377 . 1 1 30 30 LEU HG H 1 1.976 . . . . . . . A 42 LEU HG . 34234 1 378 . 1 1 30 30 LEU HD11 H 1 0.729 . . . . . . . A 42 LEU HD11 . 34234 1 379 . 1 1 30 30 LEU HD12 H 1 0.729 . . . . . . . A 42 LEU HD12 . 34234 1 380 . 1 1 30 30 LEU HD13 H 1 0.729 . . . . . . . A 42 LEU HD13 . 34234 1 381 . 1 1 30 30 LEU HD21 H 1 0.735 . . . . . . . A 42 LEU HD21 . 34234 1 382 . 1 1 30 30 LEU HD22 H 1 0.735 . . . . . . . A 42 LEU HD22 . 34234 1 383 . 1 1 30 30 LEU HD23 H 1 0.735 . . . . . . . A 42 LEU HD23 . 34234 1 384 . 1 1 30 30 LEU C C 13 178.715 . . . . . . . A 42 LEU C . 34234 1 385 . 1 1 30 30 LEU CA C 13 58.507 . . . . . . . A 42 LEU CA . 34234 1 386 . 1 1 30 30 LEU CB C 13 41.337 . . . . . . . A 42 LEU CB . 34234 1 387 . 1 1 30 30 LEU CG C 13 27.829 . . . . . . . A 42 LEU CG . 34234 1 388 . 1 1 30 30 LEU CD1 C 13 25.435 . . . . . . . A 42 LEU CD1 . 34234 1 389 . 1 1 30 30 LEU CD2 C 13 25.450 . . . . . . . A 42 LEU CD2 . 34234 1 390 . 1 1 30 30 LEU N N 15 116.806 . . . . . . . A 42 LEU N . 34234 1 391 . 1 1 31 31 ALA H H 1 8.760 . . . . . . . A 43 ALA H . 34234 1 392 . 1 1 31 31 ALA HA H 1 3.972 . . . . . . . A 43 ALA HA . 34234 1 393 . 1 1 31 31 ALA HB1 H 1 1.530 . . . . . . . A 43 ALA HB1 . 34234 1 394 . 1 1 31 31 ALA HB2 H 1 1.530 . . . . . . . A 43 ALA HB2 . 34234 1 395 . 1 1 31 31 ALA HB3 H 1 1.530 . . . . . . . A 43 ALA HB3 . 34234 1 396 . 1 1 31 31 ALA C C 13 179.857 . . . . . . . A 43 ALA C . 34234 1 397 . 1 1 31 31 ALA CA C 13 55.700 . . . . . . . A 43 ALA CA . 34234 1 398 . 1 1 31 31 ALA CB C 13 18.070 . . . . . . . A 43 ALA CB . 34234 1 399 . 1 1 31 31 ALA N N 15 120.161 . . . . . . . A 43 ALA N . 34234 1 400 . 1 1 32 32 ARG H H 1 8.120 . . . . . . . A 44 ARG H . 34234 1 401 . 1 1 32 32 ARG HA H 1 3.750 . . . . . . . A 44 ARG HA . 34234 1 402 . 1 1 32 32 ARG HB2 H 1 1.565 . . . . . . . A 44 ARG HB2 . 34234 1 403 . 1 1 32 32 ARG HB3 H 1 1.363 . . . . . . . A 44 ARG HB3 . 34234 1 404 . 1 1 32 32 ARG HG2 H 1 0.560 . . . . . . . A 44 ARG HG2 . 34234 1 405 . 1 1 32 32 ARG HG3 H 1 1.020 . . . . . . . A 44 ARG HG3 . 34234 1 406 . 1 1 32 32 ARG HD2 H 1 2.437 . . . . . . . A 44 ARG HD2 . 34234 1 407 . 1 1 32 32 ARG HD3 H 1 2.935 . . . . . . . A 44 ARG HD3 . 34234 1 408 . 1 1 32 32 ARG HE H 1 6.311 . . . . . . . A 44 ARG HE . 34234 1 409 . 1 1 32 32 ARG HH21 H 1 7.200 . . . . . . . A 44 ARG HH21 . 34234 1 410 . 1 1 32 32 ARG C C 13 178.155 . . . . . . . A 44 ARG C . 34234 1 411 . 1 1 32 32 ARG CA C 13 58.598 . . . . . . . A 44 ARG CA . 34234 1 412 . 1 1 32 32 ARG CB C 13 31.496 . . . . . . . A 44 ARG CB . 34234 1 413 . 1 1 32 32 ARG CG C 13 28.450 . . . . . . . A 44 ARG CG . 34234 1 414 . 1 1 32 32 ARG CD C 13 43.600 . . . . . . . A 44 ARG CD . 34234 1 415 . 1 1 32 32 ARG N N 15 116.411 . . . . . . . A 44 ARG N . 34234 1 416 . 1 1 33 33 ARG H H 1 8.115 . . . . . . . A 45 ARG H . 34234 1 417 . 1 1 33 33 ARG HA H 1 4.309 . . . . . . . A 45 ARG HA . 34234 1 418 . 1 1 33 33 ARG HB2 H 1 1.475 . . . . . . . A 45 ARG HB2 . 34234 1 419 . 1 1 33 33 ARG HB3 H 1 1.482 . . . . . . . A 45 ARG HB3 . 34234 1 420 . 1 1 33 33 ARG HG2 H 1 1.478 . . . . . . . A 45 ARG HG2 . 34234 1 421 . 1 1 33 33 ARG HG3 H 1 1.478 . . . . . . . A 45 ARG HG3 . 34234 1 422 . 1 1 33 33 ARG HD2 H 1 3.307 . . . . . . . A 45 ARG HD2 . 34234 1 423 . 1 1 33 33 ARG HD3 H 1 3.311 . . . . . . . A 45 ARG HD3 . 34234 1 424 . 1 1 33 33 ARG HE H 1 6.539 . . . . . . . A 45 ARG HE . 34234 1 425 . 1 1 33 33 ARG C C 13 177.594 . . . . . . . A 45 ARG C . 34234 1 426 . 1 1 33 33 ARG CA C 13 56.229 . . . . . . . A 45 ARG CA . 34234 1 427 . 1 1 33 33 ARG CB C 13 28.059 . . . . . . . A 45 ARG CB . 34234 1 428 . 1 1 33 33 ARG CG C 13 28.081 . . . . . . . A 45 ARG CG . 34234 1 429 . 1 1 33 33 ARG CD C 13 40.700 . . . . . . . A 45 ARG CD . 34234 1 430 . 1 1 33 33 ARG N N 15 116.338 . . . . . . . A 45 ARG N . 34234 1 431 . 1 1 34 34 PHE H H 1 7.897 . . . . . . . A 46 PHE H . 34234 1 432 . 1 1 34 34 PHE HA H 1 4.771 . . . . . . . A 46 PHE HA . 34234 1 433 . 1 1 34 34 PHE HB2 H 1 2.675 . . . . . . . A 46 PHE HB2 . 34234 1 434 . 1 1 34 34 PHE HB3 H 1 3.337 . . . . . . . A 46 PHE HB3 . 34234 1 435 . 1 1 34 34 PHE HD1 H 1 7.359 . . . . . . . A 46 PHE HD1 . 34234 1 436 . 1 1 34 34 PHE HD2 H 1 7.362 . . . . . . . A 46 PHE HD2 . 34234 1 437 . 1 1 34 34 PHE HE1 H 1 7.077 . . . . . . . A 46 PHE HE1 . 34234 1 438 . 1 1 34 34 PHE HE2 H 1 7.077 . . . . . . . A 46 PHE HE2 . 34234 1 439 . 1 1 34 34 PHE HZ H 1 7.074 . . . . . . . A 46 PHE HZ . 34234 1 440 . 1 1 34 34 PHE C C 13 176.292 . . . . . . . A 46 PHE C . 34234 1 441 . 1 1 34 34 PHE CA C 13 57.663 . . . . . . . A 46 PHE CA . 34234 1 442 . 1 1 34 34 PHE CB C 13 38.705 . . . . . . . A 46 PHE CB . 34234 1 443 . 1 1 34 34 PHE CD1 C 13 133.800 . . . . . . . A 46 PHE CD1 . 34234 1 444 . 1 1 34 34 PHE CD2 C 13 133.800 . . . . . . . A 46 PHE CD2 . 34234 1 445 . 1 1 34 34 PHE CE1 C 13 132.700 . . . . . . . A 46 PHE CE1 . 34234 1 446 . 1 1 34 34 PHE CE2 C 13 132.700 . . . . . . . A 46 PHE CE2 . 34234 1 447 . 1 1 34 34 PHE CZ C 13 130.860 . . . . . . . A 46 PHE CZ . 34234 1 448 . 1 1 34 34 PHE N N 15 111.162 . . . . . . . A 46 PHE N . 34234 1 449 . 1 1 35 35 GLY H H 1 7.776 . . . . . . . A 47 GLY H . 34234 1 450 . 1 1 35 35 GLY HA2 H 1 3.884 . . . . . . . A 47 GLY HA2 . 34234 1 451 . 1 1 35 35 GLY HA3 H 1 3.694 . . . . . . . A 47 GLY HA3 . 34234 1 452 . 1 1 35 35 GLY C C 13 174.290 . . . . . . . A 47 GLY C . 34234 1 453 . 1 1 35 35 GLY CA C 13 48.051 . . . . . . . A 47 GLY CA . 34234 1 454 . 1 1 35 35 GLY N N 15 111.125 . . . . . . . A 47 GLY N . 34234 1 455 . 1 1 36 36 LEU H H 1 8.974 . . . . . . . A 48 LEU H . 34234 1 456 . 1 1 36 36 LEU HA H 1 4.923 . . . . . . . A 48 LEU HA . 34234 1 457 . 1 1 36 36 LEU HB2 H 1 1.621 . . . . . . . A 48 LEU HB2 . 34234 1 458 . 1 1 36 36 LEU HB3 H 1 1.485 . . . . . . . A 48 LEU HB3 . 34234 1 459 . 1 1 36 36 LEU HG H 1 0.830 . . . . . . . A 48 LEU HG . 34234 1 460 . 1 1 36 36 LEU HD11 H 1 0.880 . . . . . . . A 48 LEU HD11 . 34234 1 461 . 1 1 36 36 LEU HD12 H 1 0.880 . . . . . . . A 48 LEU HD12 . 34234 1 462 . 1 1 36 36 LEU HD13 H 1 0.880 . . . . . . . A 48 LEU HD13 . 34234 1 463 . 1 1 36 36 LEU HD21 H 1 0.880 . . . . . . . A 48 LEU HD21 . 34234 1 464 . 1 1 36 36 LEU HD22 H 1 0.880 . . . . . . . A 48 LEU HD22 . 34234 1 465 . 1 1 36 36 LEU HD23 H 1 0.880 . . . . . . . A 48 LEU HD23 . 34234 1 466 . 1 1 36 36 LEU C C 13 176.392 . . . . . . . A 48 LEU C . 34234 1 467 . 1 1 36 36 LEU CA C 13 52.590 . . . . . . . A 48 LEU CA . 34234 1 468 . 1 1 36 36 LEU CB C 13 44.812 . . . . . . . A 48 LEU CB . 34234 1 469 . 1 1 36 36 LEU CG C 13 26.211 . . . . . . . A 48 LEU CG . 34234 1 470 . 1 1 36 36 LEU CD1 C 13 22.900 . . . . . . . A 48 LEU CD1 . 34234 1 471 . 1 1 36 36 LEU CD2 C 13 22.900 . . . . . . . A 48 LEU CD2 . 34234 1 472 . 1 1 36 36 LEU N N 15 119.531 . . . . . . . A 48 LEU N . 34234 1 473 . 1 1 37 37 LEU H H 1 8.906 . . . . . . . A 49 LEU H . 34234 1 474 . 1 1 37 37 LEU HA H 1 3.884 . . . . . . . A 49 LEU HA . 34234 1 475 . 1 1 37 37 LEU HB2 H 1 2.000 . . . . . . . A 49 LEU HB2 . 34234 1 476 . 1 1 37 37 LEU HB3 H 1 1.646 . . . . . . . A 49 LEU HB3 . 34234 1 477 . 1 1 37 37 LEU HG H 1 0.784 . . . . . . . A 49 LEU HG . 34234 1 478 . 1 1 37 37 LEU HD11 H 1 0.972 . . . . . . . A 49 LEU HD11 . 34234 1 479 . 1 1 37 37 LEU HD12 H 1 0.972 . . . . . . . A 49 LEU HD12 . 34234 1 480 . 1 1 37 37 LEU HD13 H 1 0.972 . . . . . . . A 49 LEU HD13 . 34234 1 481 . 1 1 37 37 LEU HD21 H 1 0.972 . . . . . . . A 49 LEU HD21 . 34234 1 482 . 1 1 37 37 LEU HD22 H 1 0.972 . . . . . . . A 49 LEU HD22 . 34234 1 483 . 1 1 37 37 LEU HD23 H 1 0.972 . . . . . . . A 49 LEU HD23 . 34234 1 484 . 1 1 37 37 LEU C C 13 176.392 . . . . . . . A 49 LEU C . 34234 1 485 . 1 1 37 37 LEU CA C 13 55.527 . . . . . . . A 49 LEU CA . 34234 1 486 . 1 1 37 37 LEU CB C 13 38.831 . . . . . . . A 49 LEU CB . 34234 1 487 . 1 1 37 37 LEU CG C 13 26.000 . . . . . . . A 49 LEU CG . 34234 1 488 . 1 1 37 37 LEU CD1 C 13 23.070 . . . . . . . A 49 LEU CD1 . 34234 1 489 . 1 1 37 37 LEU CD2 C 13 23.070 . . . . . . . A 49 LEU CD2 . 34234 1 490 . 1 1 37 37 LEU N N 15 112.332 . . . . . . . A 49 LEU N . 34234 1 491 . 1 1 38 38 GLY H H 1 8.416 . . . . . . . A 50 GLY H . 34234 1 492 . 1 1 38 38 GLY HA2 H 1 4.074 . . . . . . . A 50 GLY HA2 . 34234 1 493 . 1 1 38 38 GLY HA3 H 1 3.454 . . . . . . . A 50 GLY HA3 . 34234 1 494 . 1 1 38 38 GLY C C 13 175.111 . . . . . . . A 50 GLY C . 34234 1 495 . 1 1 38 38 GLY CA C 13 44.960 . . . . . . . A 50 GLY CA . 34234 1 496 . 1 1 38 38 GLY N N 15 105.327 . . . . . . . A 50 GLY N . 34234 1 497 . 1 1 39 39 TYR H H 1 7.387 . . . . . . . A 51 TYR H . 34234 1 498 . 1 1 39 39 TYR HA H 1 4.473 . . . . . . . A 51 TYR HA . 34234 1 499 . 1 1 39 39 TYR HB2 H 1 3.254 . . . . . . . A 51 TYR HB2 . 34234 1 500 . 1 1 39 39 TYR HB3 H 1 2.911 . . . . . . . A 51 TYR HB3 . 34234 1 501 . 1 1 39 39 TYR HD1 H 1 7.269 . . . . . . . A 51 TYR HD1 . 34234 1 502 . 1 1 39 39 TYR HD2 H 1 7.269 . . . . . . . A 51 TYR HD2 . 34234 1 503 . 1 1 39 39 TYR HE1 H 1 6.700 . . . . . . . A 51 TYR HE1 . 34234 1 504 . 1 1 39 39 TYR HE2 H 1 6.700 . . . . . . . A 51 TYR HE2 . 34234 1 505 . 1 1 39 39 TYR C C 13 176.272 . . . . . . . A 51 TYR C . 34234 1 506 . 1 1 39 39 TYR CA C 13 58.498 . . . . . . . A 51 TYR CA . 34234 1 507 . 1 1 39 39 TYR CB C 13 38.372 . . . . . . . A 51 TYR CB . 34234 1 508 . 1 1 39 39 TYR CD1 C 13 69.500 . . . . . . . A 51 TYR CD1 . 34234 1 509 . 1 1 39 39 TYR CD2 C 13 69.500 . . . . . . . A 51 TYR CD2 . 34234 1 510 . 1 1 39 39 TYR CE1 C 13 53.840 . . . . . . . A 51 TYR CE1 . 34234 1 511 . 1 1 39 39 TYR CE2 C 13 53.840 . . . . . . . A 51 TYR CE2 . 34234 1 512 . 1 1 39 39 TYR N N 15 120.597 . . . . . . . A 51 TYR N . 34234 1 513 . 1 1 40 40 GLU H H 1 8.494 . . . . . . . A 52 GLU H . 34234 1 514 . 1 1 40 40 GLU HA H 1 4.423 . . . . . . . A 52 GLU HA . 34234 1 515 . 1 1 40 40 GLU HB2 H 1 2.017 . . . . . . . A 52 GLU HB2 . 34234 1 516 . 1 1 40 40 GLU HB3 H 1 1.905 . . . . . . . A 52 GLU HB3 . 34234 1 517 . 1 1 40 40 GLU HG2 H 1 2.283 . . . . . . . A 52 GLU HG2 . 34234 1 518 . 1 1 40 40 GLU HG3 H 1 2.298 . . . . . . . A 52 GLU HG3 . 34234 1 519 . 1 1 40 40 GLU C C 13 175.691 . . . . . . . A 52 GLU C . 34234 1 520 . 1 1 40 40 GLU CA C 13 55.000 . . . . . . . A 52 GLU CA . 34234 1 521 . 1 1 40 40 GLU CB C 13 30.595 . . . . . . . A 52 GLU CB . 34234 1 522 . 1 1 40 40 GLU CG C 13 36.365 . . . . . . . A 52 GLU CG . 34234 1 523 . 1 1 40 40 GLU N N 15 120.841 . . . . . . . A 52 GLU N . 34234 1 524 . 1 1 41 41 ALA H H 1 8.491 . . . . . . . A 53 ALA H . 34234 1 525 . 1 1 41 41 ALA HA H 1 3.924 . . . . . . . A 53 ALA HA . 34234 1 526 . 1 1 41 41 ALA HB1 H 1 1.194 . . . . . . . A 53 ALA HB1 . 34234 1 527 . 1 1 41 41 ALA HB2 H 1 1.194 . . . . . . . A 53 ALA HB2 . 34234 1 528 . 1 1 41 41 ALA HB3 H 1 1.194 . . . . . . . A 53 ALA HB3 . 34234 1 529 . 1 1 41 41 ALA C C 13 177.193 . . . . . . . A 53 ALA C . 34234 1 530 . 1 1 41 41 ALA CA C 13 53.658 . . . . . . . A 53 ALA CA . 34234 1 531 . 1 1 41 41 ALA CB C 13 18.412 . . . . . . . A 53 ALA CB . 34234 1 532 . 1 1 41 41 ALA N N 15 125.749 . . . . . . . A 53 ALA N . 34234 1 533 . 1 1 42 42 ALA H H 1 8.074 . . . . . . . A 54 ALA H . 34234 1 534 . 1 1 42 42 ALA HA H 1 4.927 . . . . . . . A 54 ALA HA . 34234 1 535 . 1 1 42 42 ALA HB1 H 1 1.395 . . . . . . . A 54 ALA HB1 . 34234 1 536 . 1 1 42 42 ALA HB2 H 1 1.395 . . . . . . . A 54 ALA HB2 . 34234 1 537 . 1 1 42 42 ALA HB3 H 1 1.395 . . . . . . . A 54 ALA HB3 . 34234 1 538 . 1 1 42 42 ALA C C 13 176.993 . . . . . . . A 54 ALA C . 34234 1 539 . 1 1 42 42 ALA CA C 13 50.521 . . . . . . . A 54 ALA CA . 34234 1 540 . 1 1 42 42 ALA CB C 13 23.452 . . . . . . . A 54 ALA CB . 34234 1 541 . 1 1 42 42 ALA N N 15 126.321 . . . . . . . A 54 ALA N . 34234 1 542 . 1 1 43 43 THR H H 1 8.408 . . . . . . . A 55 THR H . 34234 1 543 . 1 1 43 43 THR HA H 1 4.145 . . . . . . . A 55 THR HA . 34234 1 544 . 1 1 43 43 THR HB H 1 4.711 . . . . . . . A 55 THR HB . 34234 1 545 . 1 1 43 43 THR HG21 H 1 1.393 . . . . . . . A 55 THR HG21 . 34234 1 546 . 1 1 43 43 THR HG22 H 1 1.393 . . . . . . . A 55 THR HG22 . 34234 1 547 . 1 1 43 43 THR HG23 H 1 1.393 . . . . . . . A 55 THR HG23 . 34234 1 548 . 1 1 43 43 THR C C 13 174.951 . . . . . . . A 55 THR C . 34234 1 549 . 1 1 43 43 THR CA C 13 61.202 . . . . . . . A 55 THR CA . 34234 1 550 . 1 1 43 43 THR CB C 13 71.511 . . . . . . . A 55 THR CB . 34234 1 551 . 1 1 43 43 THR CG2 C 13 21.950 . . . . . . . A 55 THR CG2 . 34234 1 552 . 1 1 43 43 THR N N 15 109.838 . . . . . . . A 55 THR N . 34234 1 553 . 1 1 44 44 LEU H H 1 8.824 . . . . . . . A 56 LEU H . 34234 1 554 . 1 1 44 44 LEU HA H 1 3.698 . . . . . . . A 56 LEU HA . 34234 1 555 . 1 1 44 44 LEU HB2 H 1 1.743 . . . . . . . A 56 LEU HB2 . 34234 1 556 . 1 1 44 44 LEU HB3 H 1 1.377 . . . . . . . A 56 LEU HB3 . 34234 1 557 . 1 1 44 44 LEU HG H 1 1.625 . . . . . . . A 56 LEU HG . 34234 1 558 . 1 1 44 44 LEU HD11 H 1 0.876 . . . . . . . A 56 LEU HD11 . 34234 1 559 . 1 1 44 44 LEU HD12 H 1 0.876 . . . . . . . A 56 LEU HD12 . 34234 1 560 . 1 1 44 44 LEU HD13 H 1 0.876 . . . . . . . A 56 LEU HD13 . 34234 1 561 . 1 1 44 44 LEU HD21 H 1 0.776 . . . . . . . A 56 LEU HD21 . 34234 1 562 . 1 1 44 44 LEU HD22 H 1 0.776 . . . . . . . A 56 LEU HD22 . 34234 1 563 . 1 1 44 44 LEU HD23 H 1 0.776 . . . . . . . A 56 LEU HD23 . 34234 1 564 . 1 1 44 44 LEU C C 13 178.695 . . . . . . . A 56 LEU C . 34234 1 565 . 1 1 44 44 LEU CA C 13 59.332 . . . . . . . A 56 LEU CA . 34234 1 566 . 1 1 44 44 LEU CB C 13 43.200 . . . . . . . A 56 LEU CB . 34234 1 567 . 1 1 44 44 LEU CG C 13 27.227 . . . . . . . A 56 LEU CG . 34234 1 568 . 1 1 44 44 LEU CD1 C 13 25.593 . . . . . . . A 56 LEU CD1 . 34234 1 569 . 1 1 44 44 LEU CD2 C 13 23.827 . . . . . . . A 56 LEU CD2 . 34234 1 570 . 1 1 44 44 LEU N N 15 120.279 . . . . . . . A 56 LEU N . 34234 1 571 . 1 1 45 45 GLU H H 1 8.888 . . . . . . . A 57 GLU H . 34234 1 572 . 1 1 45 45 GLU HA H 1 3.855 . . . . . . . A 57 GLU HA . 34234 1 573 . 1 1 45 45 GLU HB2 H 1 2.059 . . . . . . . A 57 GLU HB2 . 34234 1 574 . 1 1 45 45 GLU HB3 H 1 1.881 . . . . . . . A 57 GLU HB3 . 34234 1 575 . 1 1 45 45 GLU HG2 H 1 2.203 . . . . . . . A 57 GLU HG2 . 34234 1 576 . 1 1 45 45 GLU HG3 H 1 2.464 . . . . . . . A 57 GLU HG3 . 34234 1 577 . 1 1 45 45 GLU C C 13 178.976 . . . . . . . A 57 GLU C . 34234 1 578 . 1 1 45 45 GLU CA C 13 59.860 . . . . . . . A 57 GLU CA . 34234 1 579 . 1 1 45 45 GLU CB C 13 29.083 . . . . . . . A 57 GLU CB . 34234 1 580 . 1 1 45 45 GLU CG C 13 36.700 . . . . . . . A 57 GLU CG . 34234 1 581 . 1 1 45 45 GLU N N 15 116.073 . . . . . . . A 57 GLU N . 34234 1 582 . 1 1 46 46 ASP H H 1 7.778 . . . . . . . A 58 ASP H . 34234 1 583 . 1 1 46 46 ASP HA H 1 4.433 . . . . . . . A 58 ASP HA . 34234 1 584 . 1 1 46 46 ASP HB2 H 1 2.840 . . . . . . . A 58 ASP HB2 . 34234 1 585 . 1 1 46 46 ASP HB3 H 1 2.680 . . . . . . . A 58 ASP HB3 . 34234 1 586 . 1 1 46 46 ASP C C 13 178.896 . . . . . . . A 58 ASP C . 34234 1 587 . 1 1 46 46 ASP CA C 13 57.593 . . . . . . . A 58 ASP CA . 34234 1 588 . 1 1 46 46 ASP CB C 13 40.241 . . . . . . . A 58 ASP CB . 34234 1 589 . 1 1 46 46 ASP N N 15 122.356 . . . . . . . A 58 ASP N . 34234 1 590 . 1 1 47 47 VAL H H 1 8.665 . . . . . . . A 59 VAL H . 34234 1 591 . 1 1 47 47 VAL HA H 1 3.481 . . . . . . . A 59 VAL HA . 34234 1 592 . 1 1 47 47 VAL HB H 1 2.058 . . . . . . . A 59 VAL HB . 34234 1 593 . 1 1 47 47 VAL HG11 H 1 0.858 . . . . . . . A 59 VAL HG11 . 34234 1 594 . 1 1 47 47 VAL HG12 H 1 0.858 . . . . . . . A 59 VAL HG12 . 34234 1 595 . 1 1 47 47 VAL HG13 H 1 0.858 . . . . . . . A 59 VAL HG13 . 34234 1 596 . 1 1 47 47 VAL HG21 H 1 0.857 . . . . . . . A 59 VAL HG21 . 34234 1 597 . 1 1 47 47 VAL HG22 H 1 0.857 . . . . . . . A 59 VAL HG22 . 34234 1 598 . 1 1 47 47 VAL HG23 H 1 0.857 . . . . . . . A 59 VAL HG23 . 34234 1 599 . 1 1 47 47 VAL C C 13 178.195 . . . . . . . A 59 VAL C . 34234 1 600 . 1 1 47 47 VAL CA C 13 67.243 . . . . . . . A 59 VAL CA . 34234 1 601 . 1 1 47 47 VAL CB C 13 31.456 . . . . . . . A 59 VAL CB . 34234 1 602 . 1 1 47 47 VAL CG1 C 13 24.277 . . . . . . . A 59 VAL CG1 . 34234 1 603 . 1 1 47 47 VAL CG2 C 13 24.265 . . . . . . . A 59 VAL CG2 . 34234 1 604 . 1 1 47 47 VAL N N 15 121.087 . . . . . . . A 59 VAL N . 34234 1 605 . 1 1 48 48 GLY H H 1 8.350 . . . . . . . A 60 GLY H . 34234 1 606 . 1 1 48 48 GLY HA2 H 1 3.694 . . . . . . . A 60 GLY HA2 . 34234 1 607 . 1 1 48 48 GLY HA3 H 1 3.404 . . . . . . . A 60 GLY HA3 . 34234 1 608 . 1 1 48 48 GLY C C 13 176.052 . . . . . . . A 60 GLY C . 34234 1 609 . 1 1 48 48 GLY CA C 13 48.850 . . . . . . . A 60 GLY CA . 34234 1 610 . 1 1 48 48 GLY N N 15 105.280 . . . . . . . A 60 GLY N . 34234 1 611 . 1 1 49 49 ARG H H 1 7.842 . . . . . . . A 61 ARG H . 34234 1 612 . 1 1 49 49 ARG HA H 1 4.040 . . . . . . . A 61 ARG HA . 34234 1 613 . 1 1 49 49 ARG HB2 H 1 1.988 . . . . . . . A 61 ARG HB2 . 34234 1 614 . 1 1 49 49 ARG HB3 H 1 1.987 . . . . . . . A 61 ARG HB3 . 34234 1 615 . 1 1 49 49 ARG HG2 H 1 1.791 . . . . . . . A 61 ARG HG2 . 34234 1 616 . 1 1 49 49 ARG HG3 H 1 1.606 . . . . . . . A 61 ARG HG3 . 34234 1 617 . 1 1 49 49 ARG HD2 H 1 3.248 . . . . . . . A 61 ARG HD2 . 34234 1 618 . 1 1 49 49 ARG HD3 H 1 3.251 . . . . . . . A 61 ARG HD3 . 34234 1 619 . 1 1 49 49 ARG HE H 1 7.300 . . . . . . . A 61 ARG HE . 34234 1 620 . 1 1 49 49 ARG C C 13 179.036 . . . . . . . A 61 ARG C . 34234 1 621 . 1 1 49 49 ARG CA C 13 59.399 . . . . . . . A 61 ARG CA . 34234 1 622 . 1 1 49 49 ARG CB C 13 30.086 . . . . . . . A 61 ARG CB . 34234 1 623 . 1 1 49 49 ARG CG C 13 27.739 . . . . . . . A 61 ARG CG . 34234 1 624 . 1 1 49 49 ARG CD C 13 43.394 . . . . . . . A 61 ARG CD . 34234 1 625 . 1 1 49 49 ARG N N 15 120.757 . . . . . . . A 61 ARG N . 34234 1 626 . 1 1 50 50 GLU H H 1 7.833 . . . . . . . A 62 GLU H . 34234 1 627 . 1 1 50 50 GLU HA H 1 4.138 . . . . . . . A 62 GLU HA . 34234 1 628 . 1 1 50 50 GLU HB2 H 1 1.986 . . . . . . . A 62 GLU HB2 . 34234 1 629 . 1 1 50 50 GLU HB3 H 1 1.986 . . . . . . . A 62 GLU HB3 . 34234 1 630 . 1 1 50 50 GLU HG2 H 1 2.372 . . . . . . . A 62 GLU HG2 . 34234 1 631 . 1 1 50 50 GLU HG3 H 1 2.372 . . . . . . . A 62 GLU HG3 . 34234 1 632 . 1 1 50 50 GLU C C 13 178.615 . . . . . . . A 62 GLU C . 34234 1 633 . 1 1 50 50 GLU CA C 13 59.265 . . . . . . . A 62 GLU CA . 34234 1 634 . 1 1 50 50 GLU CB C 13 30.080 . . . . . . . A 62 GLU CB . 34234 1 635 . 1 1 50 50 GLU CG C 13 35.700 . . . . . . . A 62 GLU CG . 34234 1 636 . 1 1 50 50 GLU N N 15 117.890 . . . . . . . A 62 GLU N . 34234 1 637 . 1 1 51 51 ILE H H 1 8.009 . . . . . . . A 63 ILE H . 34234 1 638 . 1 1 51 51 ILE HA H 1 4.544 . . . . . . . A 63 ILE HA . 34234 1 639 . 1 1 51 51 ILE HB H 1 2.010 . . . . . . . A 63 ILE HB . 34234 1 640 . 1 1 51 51 ILE HG12 H 1 1.400 . . . . . . . A 63 ILE HG12 . 34234 1 641 . 1 1 51 51 ILE HG13 H 1 1.172 . . . . . . . A 63 ILE HG13 . 34234 1 642 . 1 1 51 51 ILE HG21 H 1 0.748 . . . . . . . A 63 ILE HG21 . 34234 1 643 . 1 1 51 51 ILE HG22 H 1 0.748 . . . . . . . A 63 ILE HG22 . 34234 1 644 . 1 1 51 51 ILE HG23 H 1 0.748 . . . . . . . A 63 ILE HG23 . 34234 1 645 . 1 1 51 51 ILE HD11 H 1 0.584 . . . . . . . A 63 ILE HD11 . 34234 1 646 . 1 1 51 51 ILE HD12 H 1 0.584 . . . . . . . A 63 ILE HD12 . 34234 1 647 . 1 1 51 51 ILE HD13 H 1 0.584 . . . . . . . A 63 ILE HD13 . 34234 1 648 . 1 1 51 51 ILE C C 13 175.952 . . . . . . . A 63 ILE C . 34234 1 649 . 1 1 51 51 ILE CA C 13 61.097 . . . . . . . A 63 ILE CA . 34234 1 650 . 1 1 51 51 ILE CB C 13 38.505 . . . . . . . A 63 ILE CB . 34234 1 651 . 1 1 51 51 ILE CG1 C 13 25.456 . . . . . . . A 63 ILE CG1 . 34234 1 652 . 1 1 51 51 ILE CG2 C 13 16.695 . . . . . . . A 63 ILE CG2 . 34234 1 653 . 1 1 51 51 ILE CD1 C 13 14.850 . . . . . . . A 63 ILE CD1 . 34234 1 654 . 1 1 51 51 ILE N N 15 110.326 . . . . . . . A 63 ILE N . 34234 1 655 . 1 1 52 52 GLY H H 1 7.854 . . . . . . . A 64 GLY H . 34234 1 656 . 1 1 52 52 GLY HA2 H 1 4.000 . . . . . . . A 64 GLY HA2 . 34234 1 657 . 1 1 52 52 GLY HA3 H 1 3.864 . . . . . . . A 64 GLY HA3 . 34234 1 658 . 1 1 52 52 GLY C C 13 174.330 . . . . . . . A 64 GLY C . 34234 1 659 . 1 1 52 52 GLY CA C 13 46.849 . . . . . . . A 64 GLY CA . 34234 1 660 . 1 1 52 52 GLY N N 15 112.061 . . . . . . . A 64 GLY N . 34234 1 661 . 1 1 53 53 LEU H H 1 8.259 . . . . . . . A 65 LEU H . 34234 1 662 . 1 1 53 53 LEU HA H 1 4.935 . . . . . . . A 65 LEU HA . 34234 1 663 . 1 1 53 53 LEU HB2 H 1 1.468 . . . . . . . A 65 LEU HB2 . 34234 1 664 . 1 1 53 53 LEU HB3 H 1 1.290 . . . . . . . A 65 LEU HB3 . 34234 1 665 . 1 1 53 53 LEU HG H 1 0.677 . . . . . . . A 65 LEU HG . 34234 1 666 . 1 1 53 53 LEU HD11 H 1 0.912 . . . . . . . A 65 LEU HD11 . 34234 1 667 . 1 1 53 53 LEU HD12 H 1 0.912 . . . . . . . A 65 LEU HD12 . 34234 1 668 . 1 1 53 53 LEU HD13 H 1 0.912 . . . . . . . A 65 LEU HD13 . 34234 1 669 . 1 1 53 53 LEU HD21 H 1 0.912 . . . . . . . A 65 LEU HD21 . 34234 1 670 . 1 1 53 53 LEU HD22 H 1 0.912 . . . . . . . A 65 LEU HD22 . 34234 1 671 . 1 1 53 53 LEU HD23 H 1 0.912 . . . . . . . A 65 LEU HD23 . 34234 1 672 . 1 1 53 53 LEU C C 13 176.593 . . . . . . . A 65 LEU C . 34234 1 673 . 1 1 53 53 LEU CA C 13 52.590 . . . . . . . A 65 LEU CA . 34234 1 674 . 1 1 53 53 LEU CB C 13 47.842 . . . . . . . A 65 LEU CB . 34234 1 675 . 1 1 53 53 LEU CG C 13 26.248 . . . . . . . A 65 LEU CG . 34234 1 676 . 1 1 53 53 LEU CD1 C 13 23.273 . . . . . . . A 65 LEU CD1 . 34234 1 677 . 1 1 53 53 LEU CD2 C 13 23.273 . . . . . . . A 65 LEU CD2 . 34234 1 678 . 1 1 53 53 LEU N N 15 119.944 . . . . . . . A 65 LEU N . 34234 1 679 . 1 1 54 54 THR H H 1 7.910 . . . . . . . A 66 THR H . 34234 1 680 . 1 1 54 54 THR HA H 1 4.250 . . . . . . . A 66 THR HA . 34234 1 681 . 1 1 54 54 THR HB H 1 4.726 . . . . . . . A 66 THR HB . 34234 1 682 . 1 1 54 54 THR HG21 H 1 1.374 . . . . . . . A 66 THR HG21 . 34234 1 683 . 1 1 54 54 THR HG22 H 1 1.374 . . . . . . . A 66 THR HG22 . 34234 1 684 . 1 1 54 54 THR HG23 H 1 1.374 . . . . . . . A 66 THR HG23 . 34234 1 685 . 1 1 54 54 THR C C 13 175.451 . . . . . . . A 66 THR C . 34234 1 686 . 1 1 54 54 THR CA C 13 61.000 . . . . . . . A 66 THR CA . 34234 1 687 . 1 1 54 54 THR CB C 13 70.680 . . . . . . . A 66 THR CB . 34234 1 688 . 1 1 54 54 THR CG2 C 13 22.320 . . . . . . . A 66 THR CG2 . 34234 1 689 . 1 1 54 54 THR N N 15 110.262 . . . . . . . A 66 THR N . 34234 1 690 . 1 1 55 55 ARG H H 1 8.909 . . . . . . . A 67 ARG H . 34234 1 691 . 1 1 55 55 ARG HA H 1 3.720 . . . . . . . A 67 ARG HA . 34234 1 692 . 1 1 55 55 ARG HB2 H 1 1.791 . . . . . . . A 67 ARG HB2 . 34234 1 693 . 1 1 55 55 ARG HB3 H 1 1.897 . . . . . . . A 67 ARG HB3 . 34234 1 694 . 1 1 55 55 ARG HG2 H 1 1.583 . . . . . . . A 67 ARG HG2 . 34234 1 695 . 1 1 55 55 ARG HG3 H 1 1.532 . . . . . . . A 67 ARG HG3 . 34234 1 696 . 1 1 55 55 ARG HD2 H 1 3.236 . . . . . . . A 67 ARG HD2 . 34234 1 697 . 1 1 55 55 ARG HD3 H 1 3.236 . . . . . . . A 67 ARG HD3 . 34234 1 698 . 1 1 55 55 ARG C C 13 177.814 . . . . . . . A 67 ARG C . 34234 1 699 . 1 1 55 55 ARG CA C 13 60.000 . . . . . . . A 67 ARG CA . 34234 1 700 . 1 1 55 55 ARG CB C 13 29.827 . . . . . . . A 67 ARG CB . 34234 1 701 . 1 1 55 55 ARG CG C 13 27.320 . . . . . . . A 67 ARG CG . 34234 1 702 . 1 1 55 55 ARG CD C 13 43.580 . . . . . . . A 67 ARG CD . 34234 1 703 . 1 1 55 55 ARG N N 15 121.520 . . . . . . . A 67 ARG N . 34234 1 704 . 1 1 56 56 GLU H H 1 7.906 . . . . . . . A 68 GLU H . 34234 1 705 . 1 1 56 56 GLU HA H 1 4.144 . . . . . . . A 68 GLU HA . 34234 1 706 . 1 1 56 56 GLU HB2 H 1 2.070 . . . . . . . A 68 GLU HB2 . 34234 1 707 . 1 1 56 56 GLU HB3 H 1 1.880 . . . . . . . A 68 GLU HB3 . 34234 1 708 . 1 1 56 56 GLU HG2 H 1 2.370 . . . . . . . A 68 GLU HG2 . 34234 1 709 . 1 1 56 56 GLU HG3 H 1 2.372 . . . . . . . A 68 GLU HG3 . 34234 1 710 . 1 1 56 56 GLU C C 13 179.036 . . . . . . . A 68 GLU C . 34234 1 711 . 1 1 56 56 GLU CA C 13 59.399 . . . . . . . A 68 GLU CA . 34234 1 712 . 1 1 56 56 GLU CB C 13 28.839 . . . . . . . A 68 GLU CB . 34234 1 713 . 1 1 56 56 GLU CG C 13 35.737 . . . . . . . A 68 GLU CG . 34234 1 714 . 1 1 56 56 GLU N N 15 117.720 . . . . . . . A 68 GLU N . 34234 1 715 . 1 1 57 57 ARG H H 1 7.728 . . . . . . . A 69 ARG H . 34234 1 716 . 1 1 57 57 ARG HA H 1 4.153 . . . . . . . A 69 ARG HA . 34234 1 717 . 1 1 57 57 ARG HB2 H 1 1.956 . . . . . . . A 69 ARG HB2 . 34234 1 718 . 1 1 57 57 ARG HB3 H 1 1.956 . . . . . . . A 69 ARG HB3 . 34234 1 719 . 1 1 57 57 ARG HG2 H 1 1.837 . . . . . . . A 69 ARG HG2 . 34234 1 720 . 1 1 57 57 ARG HG3 H 1 1.687 . . . . . . . A 69 ARG HG3 . 34234 1 721 . 1 1 57 57 ARG HD2 H 1 3.210 . . . . . . . A 69 ARG HD2 . 34234 1 722 . 1 1 57 57 ARG HD3 H 1 3.415 . . . . . . . A 69 ARG HD3 . 34234 1 723 . 1 1 57 57 ARG C C 13 178.876 . . . . . . . A 69 ARG C . 34234 1 724 . 1 1 57 57 ARG CA C 13 58.064 . . . . . . . A 69 ARG CA . 34234 1 725 . 1 1 57 57 ARG CB C 13 29.360 . . . . . . . A 69 ARG CB . 34234 1 726 . 1 1 57 57 ARG CG C 13 27.320 . . . . . . . A 69 ARG CG . 34234 1 727 . 1 1 57 57 ARG CD C 13 42.500 . . . . . . . A 69 ARG CD . 34234 1 728 . 1 1 57 57 ARG N N 15 121.025 . . . . . . . A 69 ARG N . 34234 1 729 . 1 1 58 58 VAL H H 1 8.353 . . . . . . . A 70 VAL H . 34234 1 730 . 1 1 58 58 VAL HA H 1 3.400 . . . . . . . A 70 VAL HA . 34234 1 731 . 1 1 58 58 VAL HB H 1 2.105 . . . . . . . A 70 VAL HB . 34234 1 732 . 1 1 58 58 VAL HG11 H 1 0.903 . . . . . . . A 70 VAL HG11 . 34234 1 733 . 1 1 58 58 VAL HG12 H 1 0.903 . . . . . . . A 70 VAL HG12 . 34234 1 734 . 1 1 58 58 VAL HG13 H 1 0.903 . . . . . . . A 70 VAL HG13 . 34234 1 735 . 1 1 58 58 VAL HG21 H 1 0.903 . . . . . . . A 70 VAL HG21 . 34234 1 736 . 1 1 58 58 VAL HG22 H 1 0.903 . . . . . . . A 70 VAL HG22 . 34234 1 737 . 1 1 58 58 VAL HG23 H 1 0.903 . . . . . . . A 70 VAL HG23 . 34234 1 738 . 1 1 58 58 VAL C C 13 177.414 . . . . . . . A 70 VAL C . 34234 1 739 . 1 1 58 58 VAL CA C 13 67.243 . . . . . . . A 70 VAL CA . 34234 1 740 . 1 1 58 58 VAL CB C 13 31.095 . . . . . . . A 70 VAL CB . 34234 1 741 . 1 1 58 58 VAL CG1 C 13 23.878 . . . . . . . A 70 VAL CG1 . 34234 1 742 . 1 1 58 58 VAL CG2 C 13 23.836 . . . . . . . A 70 VAL CG2 . 34234 1 743 . 1 1 58 58 VAL N N 15 118.604 . . . . . . . A 70 VAL N . 34234 1 744 . 1 1 59 59 ARG H H 1 8.206 . . . . . . . A 71 ARG H . 34234 1 745 . 1 1 59 59 ARG HA H 1 3.713 . . . . . . . A 71 ARG HA . 34234 1 746 . 1 1 59 59 ARG HB2 H 1 2.089 . . . . . . . A 71 ARG HB2 . 34234 1 747 . 1 1 59 59 ARG HB3 H 1 1.807 . . . . . . . A 71 ARG HB3 . 34234 1 748 . 1 1 59 59 ARG HG2 H 1 1.630 . . . . . . . A 71 ARG HG2 . 34234 1 749 . 1 1 59 59 ARG HG3 H 1 1.630 . . . . . . . A 71 ARG HG3 . 34234 1 750 . 1 1 59 59 ARG HD2 H 1 3.200 . . . . . . . A 71 ARG HD2 . 34234 1 751 . 1 1 59 59 ARG HD3 H 1 3.200 . . . . . . . A 71 ARG HD3 . 34234 1 752 . 1 1 59 59 ARG C C 13 177.634 . . . . . . . A 71 ARG C . 34234 1 753 . 1 1 59 59 ARG CA C 13 59.970 . . . . . . . A 71 ARG CA . 34234 1 754 . 1 1 59 59 ARG CB C 13 29.800 . . . . . . . A 71 ARG CB . 34234 1 755 . 1 1 59 59 ARG CG C 13 27.320 . . . . . . . A 71 ARG CG . 34234 1 756 . 1 1 59 59 ARG CD C 13 43.460 . . . . . . . A 71 ARG CD . 34234 1 757 . 1 1 59 59 ARG N N 15 120.120 . . . . . . . A 71 ARG N . 34234 1 758 . 1 1 60 60 GLN H H 1 7.900 . . . . . . . A 72 GLN H . 34234 1 759 . 1 1 60 60 GLN HA H 1 3.966 . . . . . . . A 72 GLN HA . 34234 1 760 . 1 1 60 60 GLN HB2 H 1 2.283 . . . . . . . A 72 GLN HB2 . 34234 1 761 . 1 1 60 60 GLN HB3 H 1 2.157 . . . . . . . A 72 GLN HB3 . 34234 1 762 . 1 1 60 60 GLN HG2 H 1 2.626 . . . . . . . A 72 GLN HG2 . 34234 1 763 . 1 1 60 60 GLN HG3 H 1 2.400 . . . . . . . A 72 GLN HG3 . 34234 1 764 . 1 1 60 60 GLN HE21 H 1 6.783 . . . . . . . A 72 GLN HE21 . 34234 1 765 . 1 1 60 60 GLN HE22 H 1 7.775 . . . . . . . A 72 GLN HE22 . 34234 1 766 . 1 1 60 60 GLN C C 13 174.991 . . . . . . . A 72 GLN C . 34234 1 767 . 1 1 60 60 GLN CA C 13 59.219 . . . . . . . A 72 GLN CA . 34234 1 768 . 1 1 60 60 GLN CB C 13 28.323 . . . . . . . A 72 GLN CB . 34234 1 769 . 1 1 60 60 GLN CG C 13 33.465 . . . . . . . A 72 GLN CG . 34234 1 770 . 1 1 60 60 GLN N N 15 117.700 . . . . . . . A 72 GLN N . 34234 1 771 . 1 1 60 60 GLN NE2 N 15 112.040 . . . . . . . A 72 GLN NE2 . 34234 1 772 . 1 1 61 61 ILE H H 1 8.120 . . . . . . . A 73 ILE H . 34234 1 773 . 1 1 61 61 ILE HA H 1 3.827 . . . . . . . A 73 ILE HA . 34234 1 774 . 1 1 61 61 ILE HB H 1 1.808 . . . . . . . A 73 ILE HB . 34234 1 775 . 1 1 61 61 ILE HG12 H 1 1.043 . . . . . . . A 73 ILE HG12 . 34234 1 776 . 1 1 61 61 ILE HG13 H 1 1.037 . . . . . . . A 73 ILE HG13 . 34234 1 777 . 1 1 61 61 ILE HG21 H 1 0.828 . . . . . . . A 73 ILE HG21 . 34234 1 778 . 1 1 61 61 ILE HG22 H 1 0.828 . . . . . . . A 73 ILE HG22 . 34234 1 779 . 1 1 61 61 ILE HG23 H 1 0.828 . . . . . . . A 73 ILE HG23 . 34234 1 780 . 1 1 61 61 ILE HD11 H 1 0.730 . . . . . . . A 73 ILE HD11 . 34234 1 781 . 1 1 61 61 ILE HD12 H 1 0.730 . . . . . . . A 73 ILE HD12 . 34234 1 782 . 1 1 61 61 ILE HD13 H 1 0.730 . . . . . . . A 73 ILE HD13 . 34234 1 783 . 1 1 61 61 ILE C C 13 178.075 . . . . . . . A 73 ILE C . 34234 1 784 . 1 1 61 61 ILE CA C 13 65.309 . . . . . . . A 73 ILE CA . 34234 1 785 . 1 1 61 61 ILE CB C 13 38.337 . . . . . . . A 73 ILE CB . 34234 1 786 . 1 1 61 61 ILE CG1 C 13 28.830 . . . . . . . A 73 ILE CG1 . 34234 1 787 . 1 1 61 61 ILE CG2 C 13 18.452 . . . . . . . A 73 ILE CG2 . 34234 1 788 . 1 1 61 61 ILE CD1 C 13 14.700 . . . . . . . A 73 ILE CD1 . 34234 1 789 . 1 1 61 61 ILE N N 15 120.665 . . . . . . . A 73 ILE N . 34234 1 790 . 1 1 62 62 GLN H H 1 8.736 . . . . . . . A 74 GLN H . 34234 1 791 . 1 1 62 62 GLN HA H 1 3.786 . . . . . . . A 74 GLN HA . 34234 1 792 . 1 1 62 62 GLN HB2 H 1 2.402 . . . . . . . A 74 GLN HB2 . 34234 1 793 . 1 1 62 62 GLN HB3 H 1 2.035 . . . . . . . A 74 GLN HB3 . 34234 1 794 . 1 1 62 62 GLN HG2 H 1 1.955 . . . . . . . A 74 GLN HG2 . 34234 1 795 . 1 1 62 62 GLN HG3 H 1 2.183 . . . . . . . A 74 GLN HG3 . 34234 1 796 . 1 1 62 62 GLN HE21 H 1 7.088 . . . . . . . A 74 GLN HE21 . 34234 1 797 . 1 1 62 62 GLN HE22 H 1 6.905 . . . . . . . A 74 GLN HE22 . 34234 1 798 . 1 1 62 62 GLN C C 13 177.554 . . . . . . . A 74 GLN C . 34234 1 799 . 1 1 62 62 GLN CA C 13 59.840 . . . . . . . A 74 GLN CA . 34234 1 800 . 1 1 62 62 GLN CB C 13 29.336 . . . . . . . A 74 GLN CB . 34234 1 801 . 1 1 62 62 GLN CG C 13 34.795 . . . . . . . A 74 GLN CG . 34234 1 802 . 1 1 62 62 GLN N N 15 121.429 . . . . . . . A 74 GLN N . 34234 1 803 . 1 1 62 62 GLN NE2 N 15 109.296 . . . . . . . A 74 GLN NE2 . 34234 1 804 . 1 1 63 63 VAL H H 1 8.594 . . . . . . . A 75 VAL H . 34234 1 805 . 1 1 63 63 VAL HA H 1 3.650 . . . . . . . A 75 VAL HA . 34234 1 806 . 1 1 63 63 VAL HB H 1 2.230 . . . . . . . A 75 VAL HB . 34234 1 807 . 1 1 63 63 VAL HG11 H 1 0.993 . . . . . . . A 75 VAL HG11 . 34234 1 808 . 1 1 63 63 VAL HG12 H 1 0.993 . . . . . . . A 75 VAL HG12 . 34234 1 809 . 1 1 63 63 VAL HG13 H 1 0.993 . . . . . . . A 75 VAL HG13 . 34234 1 810 . 1 1 63 63 VAL HG21 H 1 1.151 . . . . . . . A 75 VAL HG21 . 34234 1 811 . 1 1 63 63 VAL HG22 H 1 1.151 . . . . . . . A 75 VAL HG22 . 34234 1 812 . 1 1 63 63 VAL HG23 H 1 1.151 . . . . . . . A 75 VAL HG23 . 34234 1 813 . 1 1 63 63 VAL C C 13 179.316 . . . . . . . A 75 VAL C . 34234 1 814 . 1 1 63 63 VAL CA C 13 67.000 . . . . . . . A 75 VAL CA . 34234 1 815 . 1 1 63 63 VAL CB C 13 31.930 . . . . . . . A 75 VAL CB . 34234 1 816 . 1 1 63 63 VAL CG1 C 13 20.950 . . . . . . . A 75 VAL CG1 . 34234 1 817 . 1 1 63 63 VAL CG2 C 13 23.000 . . . . . . . A 75 VAL CG2 . 34234 1 818 . 1 1 63 63 VAL N N 15 118.497 . . . . . . . A 75 VAL N . 34234 1 819 . 1 1 64 64 GLU H H 1 8.165 . . . . . . . A 76 GLU H . 34234 1 820 . 1 1 64 64 GLU HA H 1 4.145 . . . . . . . A 76 GLU HA . 34234 1 821 . 1 1 64 64 GLU HB2 H 1 2.200 . . . . . . . A 76 GLU HB2 . 34234 1 822 . 1 1 64 64 GLU HB3 H 1 2.000 . . . . . . . A 76 GLU HB3 . 34234 1 823 . 1 1 64 64 GLU HG2 H 1 2.370 . . . . . . . A 76 GLU HG2 . 34234 1 824 . 1 1 64 64 GLU HG3 H 1 2.443 . . . . . . . A 76 GLU HG3 . 34234 1 825 . 1 1 64 64 GLU C C 13 179.537 . . . . . . . A 76 GLU C . 34234 1 826 . 1 1 64 64 GLU CA C 13 59.065 . . . . . . . A 76 GLU CA . 34234 1 827 . 1 1 64 64 GLU CB C 13 29.426 . . . . . . . A 76 GLU CB . 34234 1 828 . 1 1 64 64 GLU CG C 13 36.101 . . . . . . . A 76 GLU CG . 34234 1 829 . 1 1 64 64 GLU N N 15 120.789 . . . . . . . A 76 GLU N . 34234 1 830 . 1 1 65 65 GLY H H 1 9.305 . . . . . . . A 77 GLY H . 34234 1 831 . 1 1 65 65 GLY HA2 H 1 3.824 . . . . . . . A 77 GLY HA2 . 34234 1 832 . 1 1 65 65 GLY HA3 H 1 3.475 . . . . . . . A 77 GLY HA3 . 34234 1 833 . 1 1 65 65 GLY C C 13 175.011 . . . . . . . A 77 GLY C . 34234 1 834 . 1 1 65 65 GLY CA C 13 47.215 . . . . . . . A 77 GLY CA . 34234 1 835 . 1 1 65 65 GLY N N 15 108.577 . . . . . . . A 77 GLY N . 34234 1 836 . 1 1 66 66 LEU H H 1 8.738 . . . . . . . A 78 LEU H . 34234 1 837 . 1 1 66 66 LEU HA H 1 3.993 . . . . . . . A 78 LEU HA . 34234 1 838 . 1 1 66 66 LEU HB2 H 1 1.965 . . . . . . . A 78 LEU HB2 . 34234 1 839 . 1 1 66 66 LEU HB3 H 1 1.400 . . . . . . . A 78 LEU HB3 . 34234 1 840 . 1 1 66 66 LEU HG H 1 0.897 . . . . . . . A 78 LEU HG . 34234 1 841 . 1 1 66 66 LEU HD11 H 1 0.683 . . . . . . . A 78 LEU HD11 . 34234 1 842 . 1 1 66 66 LEU HD12 H 1 0.683 . . . . . . . A 78 LEU HD12 . 34234 1 843 . 1 1 66 66 LEU HD13 H 1 0.683 . . . . . . . A 78 LEU HD13 . 34234 1 844 . 1 1 66 66 LEU HD21 H 1 0.687 . . . . . . . A 78 LEU HD21 . 34234 1 845 . 1 1 66 66 LEU HD22 H 1 0.687 . . . . . . . A 78 LEU HD22 . 34234 1 846 . 1 1 66 66 LEU HD23 H 1 0.687 . . . . . . . A 78 LEU HD23 . 34234 1 847 . 1 1 66 66 LEU C C 13 178.976 . . . . . . . A 78 LEU C . 34234 1 848 . 1 1 66 66 LEU CA C 13 57.850 . . . . . . . A 78 LEU CA . 34234 1 849 . 1 1 66 66 LEU CB C 13 41.709 . . . . . . . A 78 LEU CB . 34234 1 850 . 1 1 66 66 LEU CG C 13 26.064 . . . . . . . A 78 LEU CG . 34234 1 851 . 1 1 66 66 LEU CD1 C 13 23.276 . . . . . . . A 78 LEU CD1 . 34234 1 852 . 1 1 66 66 LEU CD2 C 13 23.320 . . . . . . . A 78 LEU CD2 . 34234 1 853 . 1 1 66 66 LEU N N 15 121.556 . . . . . . . A 78 LEU N . 34234 1 854 . 1 1 67 67 ARG H H 1 8.079 . . . . . . . A 79 ARG H . 34234 1 855 . 1 1 67 67 ARG HA H 1 3.970 . . . . . . . A 79 ARG HA . 34234 1 856 . 1 1 67 67 ARG HB2 H 1 1.982 . . . . . . . A 79 ARG HB2 . 34234 1 857 . 1 1 67 67 ARG HB3 H 1 1.982 . . . . . . . A 79 ARG HB3 . 34234 1 858 . 1 1 67 67 ARG HG2 H 1 1.766 . . . . . . . A 79 ARG HG2 . 34234 1 859 . 1 1 67 67 ARG HG3 H 1 1.586 . . . . . . . A 79 ARG HG3 . 34234 1 860 . 1 1 67 67 ARG HD2 H 1 3.167 . . . . . . . A 79 ARG HD2 . 34234 1 861 . 1 1 67 67 ARG HD3 H 1 3.165 . . . . . . . A 79 ARG HD3 . 34234 1 862 . 1 1 67 67 ARG C C 13 179.356 . . . . . . . A 79 ARG C . 34234 1 863 . 1 1 67 67 ARG CA C 13 60.000 . . . . . . . A 79 ARG CA . 34234 1 864 . 1 1 67 67 ARG CB C 13 30.080 . . . . . . . A 79 ARG CB . 34234 1 865 . 1 1 67 67 ARG CG C 13 27.204 . . . . . . . A 79 ARG CG . 34234 1 866 . 1 1 67 67 ARG CD C 13 43.512 . . . . . . . A 79 ARG CD . 34234 1 867 . 1 1 67 67 ARG N N 15 120.562 . . . . . . . A 79 ARG N . 34234 1 868 . 1 1 68 68 ARG H H 1 8.050 . . . . . . . A 80 ARG H . 34234 1 869 . 1 1 68 68 ARG HA H 1 4.147 . . . . . . . A 80 ARG HA . 34234 1 870 . 1 1 68 68 ARG HB2 H 1 2.007 . . . . . . . A 80 ARG HB2 . 34234 1 871 . 1 1 68 68 ARG HB3 H 1 2.007 . . . . . . . A 80 ARG HB3 . 34234 1 872 . 1 1 68 68 ARG HG2 H 1 1.840 . . . . . . . A 80 ARG HG2 . 34234 1 873 . 1 1 68 68 ARG HG3 H 1 1.842 . . . . . . . A 80 ARG HG3 . 34234 1 874 . 1 1 68 68 ARG HD2 H 1 3.220 . . . . . . . A 80 ARG HD2 . 34234 1 875 . 1 1 68 68 ARG HD3 H 1 3.450 . . . . . . . A 80 ARG HD3 . 34234 1 876 . 1 1 68 68 ARG C C 13 178.635 . . . . . . . A 80 ARG C . 34234 1 877 . 1 1 68 68 ARG CA C 13 58.106 . . . . . . . A 80 ARG CA . 34234 1 878 . 1 1 68 68 ARG CB C 13 29.450 . . . . . . . A 80 ARG CB . 34234 1 879 . 1 1 68 68 ARG CG C 13 27.201 . . . . . . . A 80 ARG CG . 34234 1 880 . 1 1 68 68 ARG CD C 13 42.835 . . . . . . . A 80 ARG CD . 34234 1 881 . 1 1 68 68 ARG N N 15 119.081 . . . . . . . A 80 ARG N . 34234 1 882 . 1 1 69 69 LEU H H 1 8.700 . . . . . . . A 81 LEU H . 34234 1 883 . 1 1 69 69 LEU HA H 1 4.000 . . . . . . . A 81 LEU HA . 34234 1 884 . 1 1 69 69 LEU HB2 H 1 1.733 . . . . . . . A 81 LEU HB2 . 34234 1 885 . 1 1 69 69 LEU HB3 H 1 1.585 . . . . . . . A 81 LEU HB3 . 34234 1 886 . 1 1 69 69 LEU HG H 1 1.584 . . . . . . . A 81 LEU HG . 34234 1 887 . 1 1 69 69 LEU HD11 H 1 0.810 . . . . . . . A 81 LEU HD11 . 34234 1 888 . 1 1 69 69 LEU HD12 H 1 0.810 . . . . . . . A 81 LEU HD12 . 34234 1 889 . 1 1 69 69 LEU HD13 H 1 0.810 . . . . . . . A 81 LEU HD13 . 34234 1 890 . 1 1 69 69 LEU HD21 H 1 0.811 . . . . . . . A 81 LEU HD21 . 34234 1 891 . 1 1 69 69 LEU HD22 H 1 0.811 . . . . . . . A 81 LEU HD22 . 34234 1 892 . 1 1 69 69 LEU HD23 H 1 0.811 . . . . . . . A 81 LEU HD23 . 34234 1 893 . 1 1 69 69 LEU C C 13 178.115 . . . . . . . A 81 LEU C . 34234 1 894 . 1 1 69 69 LEU CA C 13 57.720 . . . . . . . A 81 LEU CA . 34234 1 895 . 1 1 69 69 LEU CB C 13 42.000 . . . . . . . A 81 LEU CB . 34234 1 896 . 1 1 69 69 LEU CG C 13 26.450 . . . . . . . A 81 LEU CG . 34234 1 897 . 1 1 69 69 LEU CD1 C 13 23.700 . . . . . . . A 81 LEU CD1 . 34234 1 898 . 1 1 69 69 LEU CD2 C 13 23.700 . . . . . . . A 81 LEU CD2 . 34234 1 899 . 1 1 69 69 LEU N N 15 119.611 . . . . . . . A 81 LEU N . 34234 1 900 . 1 1 70 70 ARG H H 1 8.546 . . . . . . . A 82 ARG H . 34234 1 901 . 1 1 70 70 ARG HA H 1 3.743 . . . . . . . A 82 ARG HA . 34234 1 902 . 1 1 70 70 ARG HB2 H 1 1.922 . . . . . . . A 82 ARG HB2 . 34234 1 903 . 1 1 70 70 ARG HB3 H 1 1.927 . . . . . . . A 82 ARG HB3 . 34234 1 904 . 1 1 70 70 ARG HG2 H 1 1.525 . . . . . . . A 82 ARG HG2 . 34234 1 905 . 1 1 70 70 ARG HG3 H 1 1.762 . . . . . . . A 82 ARG HG3 . 34234 1 906 . 1 1 70 70 ARG HD2 H 1 3.192 . . . . . . . A 82 ARG HD2 . 34234 1 907 . 1 1 70 70 ARG HD3 H 1 3.192 . . . . . . . A 82 ARG HD3 . 34234 1 908 . 1 1 70 70 ARG C C 13 178.555 . . . . . . . A 82 ARG C . 34234 1 909 . 1 1 70 70 ARG CA C 13 60.534 . . . . . . . A 82 ARG CA . 34234 1 910 . 1 1 70 70 ARG CB C 13 29.960 . . . . . . . A 82 ARG CB . 34234 1 911 . 1 1 70 70 ARG CG C 13 28.450 . . . . . . . A 82 ARG CG . 34234 1 912 . 1 1 70 70 ARG CD C 13 43.570 . . . . . . . A 82 ARG CD . 34234 1 913 . 1 1 70 70 ARG N N 15 118.230 . . . . . . . A 82 ARG N . 34234 1 914 . 1 1 71 71 GLU H H 1 7.530 . . . . . . . A 83 GLU H . 34234 1 915 . 1 1 71 71 GLU HA H 1 4.030 . . . . . . . A 83 GLU HA . 34234 1 916 . 1 1 71 71 GLU HB2 H 1 2.285 . . . . . . . A 83 GLU HB2 . 34234 1 917 . 1 1 71 71 GLU HB3 H 1 2.160 . . . . . . . A 83 GLU HB3 . 34234 1 918 . 1 1 71 71 GLU HG2 H 1 2.476 . . . . . . . A 83 GLU HG2 . 34234 1 919 . 1 1 71 71 GLU HG3 H 1 2.477 . . . . . . . A 83 GLU HG3 . 34234 1 920 . 1 1 71 71 GLU C C 13 179.416 . . . . . . . A 83 GLU C . 34234 1 921 . 1 1 71 71 GLU CA C 13 59.330 . . . . . . . A 83 GLU CA . 34234 1 922 . 1 1 71 71 GLU CB C 13 29.694 . . . . . . . A 83 GLU CB . 34234 1 923 . 1 1 71 71 GLU CG C 13 36.215 . . . . . . . A 83 GLU CG . 34234 1 924 . 1 1 71 71 GLU N N 15 118.585 . . . . . . . A 83 GLU N . 34234 1 925 . 1 1 72 72 ILE H H 1 8.061 . . . . . . . A 84 ILE H . 34234 1 926 . 1 1 72 72 ILE HA H 1 3.684 . . . . . . . A 84 ILE HA . 34234 1 927 . 1 1 72 72 ILE HB H 1 1.815 . . . . . . . A 84 ILE HB . 34234 1 928 . 1 1 72 72 ILE HG12 H 1 1.135 . . . . . . . A 84 ILE HG12 . 34234 1 929 . 1 1 72 72 ILE HG13 H 1 1.136 . . . . . . . A 84 ILE HG13 . 34234 1 930 . 1 1 72 72 ILE HG21 H 1 0.677 . . . . . . . A 84 ILE HG21 . 34234 1 931 . 1 1 72 72 ILE HG22 H 1 0.677 . . . . . . . A 84 ILE HG22 . 34234 1 932 . 1 1 72 72 ILE HG23 H 1 0.677 . . . . . . . A 84 ILE HG23 . 34234 1 933 . 1 1 72 72 ILE HD11 H 1 0.885 . . . . . . . A 84 ILE HD11 . 34234 1 934 . 1 1 72 72 ILE HD12 H 1 0.885 . . . . . . . A 84 ILE HD12 . 34234 1 935 . 1 1 72 72 ILE HD13 H 1 0.885 . . . . . . . A 84 ILE HD13 . 34234 1 936 . 1 1 72 72 ILE C C 13 178.916 . . . . . . . A 84 ILE C . 34234 1 937 . 1 1 72 72 ILE CA C 13 64.980 . . . . . . . A 84 ILE CA . 34234 1 938 . 1 1 72 72 ILE CB C 13 38.872 . . . . . . . A 84 ILE CB . 34234 1 939 . 1 1 72 72 ILE CG1 C 13 28.590 . . . . . . . A 84 ILE CG1 . 34234 1 940 . 1 1 72 72 ILE CG2 C 13 17.186 . . . . . . . A 84 ILE CG2 . 34234 1 941 . 1 1 72 72 ILE CD1 C 13 14.574 . . . . . . . A 84 ILE CD1 . 34234 1 942 . 1 1 72 72 ILE N N 15 120.722 . . . . . . . A 84 ILE N . 34234 1 943 . 1 1 73 73 LEU H H 1 8.551 . . . . . . . A 85 LEU H . 34234 1 944 . 1 1 73 73 LEU HA H 1 3.480 . . . . . . . A 85 LEU HA . 34234 1 945 . 1 1 73 73 LEU HB2 H 1 1.655 . . . . . . . A 85 LEU HB2 . 34234 1 946 . 1 1 73 73 LEU HB3 H 1 1.206 . . . . . . . A 85 LEU HB3 . 34234 1 947 . 1 1 73 73 LEU HG H 1 1.612 . . . . . . . A 85 LEU HG . 34234 1 948 . 1 1 73 73 LEU HD11 H 1 0.552 . . . . . . . A 85 LEU HD11 . 34234 1 949 . 1 1 73 73 LEU HD12 H 1 0.552 . . . . . . . A 85 LEU HD12 . 34234 1 950 . 1 1 73 73 LEU HD13 H 1 0.552 . . . . . . . A 85 LEU HD13 . 34234 1 951 . 1 1 73 73 LEU HD21 H 1 0.316 . . . . . . . A 85 LEU HD21 . 34234 1 952 . 1 1 73 73 LEU HD22 H 1 0.316 . . . . . . . A 85 LEU HD22 . 34234 1 953 . 1 1 73 73 LEU HD23 H 1 0.316 . . . . . . . A 85 LEU HD23 . 34234 1 954 . 1 1 73 73 LEU C C 13 179.557 . . . . . . . A 85 LEU C . 34234 1 955 . 1 1 73 73 LEU CA C 13 57.596 . . . . . . . A 85 LEU CA . 34234 1 956 . 1 1 73 73 LEU CB C 13 40.207 . . . . . . . A 85 LEU CB . 34234 1 957 . 1 1 73 73 LEU CG C 13 26.829 . . . . . . . A 85 LEU CG . 34234 1 958 . 1 1 73 73 LEU CD1 C 13 26.075 . . . . . . . A 85 LEU CD1 . 34234 1 959 . 1 1 73 73 LEU CD2 C 13 22.479 . . . . . . . A 85 LEU CD2 . 34234 1 960 . 1 1 73 73 LEU N N 15 119.134 . . . . . . . A 85 LEU N . 34234 1 961 . 1 1 74 74 GLN H H 1 8.214 . . . . . . . A 86 GLN H . 34234 1 962 . 1 1 74 74 GLN HA H 1 4.144 . . . . . . . A 86 GLN HA . 34234 1 963 . 1 1 74 74 GLN HB2 H 1 2.280 . . . . . . . A 86 GLN HB2 . 34234 1 964 . 1 1 74 74 GLN HB3 H 1 2.149 . . . . . . . A 86 GLN HB3 . 34234 1 965 . 1 1 74 74 GLN HG2 H 1 2.510 . . . . . . . A 86 GLN HG2 . 34234 1 966 . 1 1 74 74 GLN HG3 H 1 2.448 . . . . . . . A 86 GLN HG3 . 34234 1 967 . 1 1 74 74 GLN HE21 H 1 6.833 . . . . . . . A 86 GLN HE21 . 34234 1 968 . 1 1 74 74 GLN HE22 H 1 7.470 . . . . . . . A 86 GLN HE22 . 34234 1 969 . 1 1 74 74 GLN C C 13 179.797 . . . . . . . A 86 GLN C . 34234 1 970 . 1 1 74 74 GLN CA C 13 59.199 . . . . . . . A 86 GLN CA . 34234 1 971 . 1 1 74 74 GLN CB C 13 28.225 . . . . . . . A 86 GLN CB . 34234 1 972 . 1 1 74 74 GLN CG C 13 33.952 . . . . . . . A 86 GLN CG . 34234 1 973 . 1 1 74 74 GLN N N 15 119.526 . . . . . . . A 86 GLN N . 34234 1 974 . 1 1 74 74 GLN NE2 N 15 111.000 . . . . . . . A 86 GLN NE2 . 34234 1 975 . 1 1 75 75 THR H H 1 7.737 . . . . . . . A 87 THR H . 34234 1 976 . 1 1 75 75 THR HA H 1 4.130 . . . . . . . A 87 THR HA . 34234 1 977 . 1 1 75 75 THR HB H 1 4.339 . . . . . . . A 87 THR HB . 34234 1 978 . 1 1 75 75 THR HG21 H 1 1.304 . . . . . . . A 87 THR HG21 . 34234 1 979 . 1 1 75 75 THR HG22 H 1 1.304 . . . . . . . A 87 THR HG22 . 34234 1 980 . 1 1 75 75 THR HG23 H 1 1.304 . . . . . . . A 87 THR HG23 . 34234 1 981 . 1 1 75 75 THR C C 13 175.331 . . . . . . . A 87 THR C . 34234 1 982 . 1 1 75 75 THR CA C 13 65.007 . . . . . . . A 87 THR CA . 34234 1 983 . 1 1 75 75 THR CB C 13 69.245 . . . . . . . A 87 THR CB . 34234 1 984 . 1 1 75 75 THR CG2 C 13 21.855 . . . . . . . A 87 THR CG2 . 34234 1 985 . 1 1 75 75 THR N N 15 113.563 . . . . . . . A 87 THR N . 34234 1 986 . 1 1 76 76 GLN H H 1 7.391 . . . . . . . A 88 GLN H . 34234 1 987 . 1 1 76 76 GLN HA H 1 4.300 . . . . . . . A 88 GLN HA . 34234 1 988 . 1 1 76 76 GLN HB2 H 1 2.285 . . . . . . . A 88 GLN HB2 . 34234 1 989 . 1 1 76 76 GLN HB3 H 1 1.550 . . . . . . . A 88 GLN HB3 . 34234 1 990 . 1 1 76 76 GLN HG2 H 1 2.102 . . . . . . . A 88 GLN HG2 . 34234 1 991 . 1 1 76 76 GLN HG3 H 1 2.104 . . . . . . . A 88 GLN HG3 . 34234 1 992 . 1 1 76 76 GLN HE21 H 1 7.200 . . . . . . . A 88 GLN HE21 . 34234 1 993 . 1 1 76 76 GLN HE22 H 1 6.780 . . . . . . . A 88 GLN HE22 . 34234 1 994 . 1 1 76 76 GLN C C 13 175.992 . . . . . . . A 88 GLN C . 34234 1 995 . 1 1 76 76 GLN CA C 13 54.597 . . . . . . . A 88 GLN CA . 34234 1 996 . 1 1 76 76 GLN CB C 13 28.900 . . . . . . . A 88 GLN CB . 34234 1 997 . 1 1 76 76 GLN CG C 13 32.457 . . . . . . . A 88 GLN CG . 34234 1 998 . 1 1 76 76 GLN N N 15 117.660 . . . . . . . A 88 GLN N . 34234 1 999 . 1 1 76 76 GLN NE2 N 15 113.400 . . . . . . . A 88 GLN NE2 . 34234 1 1000 . 1 1 77 77 GLY H H 1 7.814 . . . . . . . A 89 GLY H . 34234 1 1001 . 1 1 77 77 GLY HA2 H 1 4.034 . . . . . . . A 89 GLY HA2 . 34234 1 1002 . 1 1 77 77 GLY HA3 H 1 3.824 . . . . . . . A 89 GLY HA3 . 34234 1 1003 . 1 1 77 77 GLY C C 13 174.250 . . . . . . . A 89 GLY C . 34234 1 1004 . 1 1 77 77 GLY CA C 13 46.115 . . . . . . . A 89 GLY CA . 34234 1 1005 . 1 1 77 77 GLY N N 15 107.846 . . . . . . . A 89 GLY N . 34234 1 1006 . 1 1 78 78 LEU H H 1 7.621 . . . . . . . A 90 LEU H . 34234 1 1007 . 1 1 78 78 LEU HA H 1 4.533 . . . . . . . A 90 LEU HA . 34234 1 1008 . 1 1 78 78 LEU HB2 H 1 1.436 . . . . . . . A 90 LEU HB2 . 34234 1 1009 . 1 1 78 78 LEU HB3 H 1 1.277 . . . . . . . A 90 LEU HB3 . 34234 1 1010 . 1 1 78 78 LEU HG H 1 1.450 . . . . . . . A 90 LEU HG . 34234 1 1011 . 1 1 78 78 LEU HD11 H 1 0.825 . . . . . . . A 90 LEU HD11 . 34234 1 1012 . 1 1 78 78 LEU HD12 H 1 0.825 . . . . . . . A 90 LEU HD12 . 34234 1 1013 . 1 1 78 78 LEU HD13 H 1 0.825 . . . . . . . A 90 LEU HD13 . 34234 1 1014 . 1 1 78 78 LEU HD21 H 1 0.878 . . . . . . . A 90 LEU HD21 . 34234 1 1015 . 1 1 78 78 LEU HD22 H 1 0.878 . . . . . . . A 90 LEU HD22 . 34234 1 1016 . 1 1 78 78 LEU HD23 H 1 0.878 . . . . . . . A 90 LEU HD23 . 34234 1 1017 . 1 1 78 78 LEU C C 13 175.331 . . . . . . . A 90 LEU C . 34234 1 1018 . 1 1 78 78 LEU CA C 13 53.591 . . . . . . . A 90 LEU CA . 34234 1 1019 . 1 1 78 78 LEU CB C 13 44.513 . . . . . . . A 90 LEU CB . 34234 1 1020 . 1 1 78 78 LEU CG C 13 27.070 . . . . . . . A 90 LEU CG . 34234 1 1021 . 1 1 78 78 LEU CD1 C 13 25.830 . . . . . . . A 90 LEU CD1 . 34234 1 1022 . 1 1 78 78 LEU CD2 C 13 23.200 . . . . . . . A 90 LEU CD2 . 34234 1 1023 . 1 1 78 78 LEU N N 15 120.103 . . . . . . . A 90 LEU N . 34234 1 1024 . 1 1 79 79 ASN H H 1 8.364 . . . . . . . A 91 ASN H . 34234 1 1025 . 1 1 79 79 ASN HA H 1 4.816 . . . . . . . A 91 ASN HA . 34234 1 1026 . 1 1 79 79 ASN HB2 H 1 2.930 . . . . . . . A 91 ASN HB2 . 34234 1 1027 . 1 1 79 79 ASN HB3 H 1 2.725 . . . . . . . A 91 ASN HB3 . 34234 1 1028 . 1 1 79 79 ASN HD21 H 1 6.951 . . . . . . . A 91 ASN HD21 . 34234 1 1029 . 1 1 79 79 ASN HD22 H 1 7.630 . . . . . . . A 91 ASN HD22 . 34234 1 1030 . 1 1 79 79 ASN C C 13 175.511 . . . . . . . A 91 ASN C . 34234 1 1031 . 1 1 79 79 ASN CA C 13 52.090 . . . . . . . A 91 ASN CA . 34234 1 1032 . 1 1 79 79 ASN CB C 13 39.707 . . . . . . . A 91 ASN CB . 34234 1 1033 . 1 1 79 79 ASN N N 15 119.750 . . . . . . . A 91 ASN N . 34234 1 1034 . 1 1 79 79 ASN ND2 N 15 112.900 . . . . . . . A 91 ASN ND2 . 34234 1 1035 . 1 1 80 80 ILE H H 1 8.557 . . . . . . . A 92 ILE H . 34234 1 1036 . 1 1 80 80 ILE HA H 1 3.913 . . . . . . . A 92 ILE HA . 34234 1 1037 . 1 1 80 80 ILE HB H 1 1.821 . . . . . . . A 92 ILE HB . 34234 1 1038 . 1 1 80 80 ILE HG12 H 1 1.285 . . . . . . . A 92 ILE HG12 . 34234 1 1039 . 1 1 80 80 ILE HG13 H 1 1.230 . . . . . . . A 92 ILE HG13 . 34234 1 1040 . 1 1 80 80 ILE HG21 H 1 0.872 . . . . . . . A 92 ILE HG21 . 34234 1 1041 . 1 1 80 80 ILE HG22 H 1 0.872 . . . . . . . A 92 ILE HG22 . 34234 1 1042 . 1 1 80 80 ILE HG23 H 1 0.872 . . . . . . . A 92 ILE HG23 . 34234 1 1043 . 1 1 80 80 ILE HD11 H 1 0.785 . . . . . . . A 92 ILE HD11 . 34234 1 1044 . 1 1 80 80 ILE HD12 H 1 0.785 . . . . . . . A 92 ILE HD12 . 34234 1 1045 . 1 1 80 80 ILE HD13 H 1 0.785 . . . . . . . A 92 ILE HD13 . 34234 1 1046 . 1 1 80 80 ILE C C 13 175.531 . . . . . . . A 92 ILE C . 34234 1 1047 . 1 1 80 80 ILE CA C 13 62.470 . . . . . . . A 92 ILE CA . 34234 1 1048 . 1 1 80 80 ILE CB C 13 38.841 . . . . . . . A 92 ILE CB . 34234 1 1049 . 1 1 80 80 ILE CG1 C 13 28.329 . . . . . . . A 92 ILE CG1 . 34234 1 1050 . 1 1 80 80 ILE CG2 C 13 17.586 . . . . . . . A 92 ILE CG2 . 34234 1 1051 . 1 1 80 80 ILE CD1 C 13 14.643 . . . . . . . A 92 ILE CD1 . 34234 1 1052 . 1 1 80 80 ILE N N 15 122.359 . . . . . . . A 92 ILE N . 34234 1 1053 . 1 1 81 81 GLU H H 1 8.370 . . . . . . . A 93 GLU H . 34234 1 1054 . 1 1 81 81 GLU HA H 1 3.970 . . . . . . . A 93 GLU HA . 34234 1 1055 . 1 1 81 81 GLU HB2 H 1 2.015 . . . . . . . A 93 GLU HB2 . 34234 1 1056 . 1 1 81 81 GLU HB3 H 1 1.961 . . . . . . . A 93 GLU HB3 . 34234 1 1057 . 1 1 81 81 GLU HG2 H 1 2.320 . . . . . . . A 93 GLU HG2 . 34234 1 1058 . 1 1 81 81 GLU HG3 H 1 2.313 . . . . . . . A 93 GLU HG3 . 34234 1 1059 . 1 1 81 81 GLU C C 13 177.814 . . . . . . . A 93 GLU C . 34234 1 1060 . 1 1 81 81 GLU CA C 13 59.265 . . . . . . . A 93 GLU CA . 34234 1 1061 . 1 1 81 81 GLU CB C 13 28.800 . . . . . . . A 93 GLU CB . 34234 1 1062 . 1 1 81 81 GLU CG C 13 36.580 . . . . . . . A 93 GLU CG . 34234 1 1063 . 1 1 81 81 GLU N N 15 120.955 . . . . . . . A 93 GLU N . 34234 1 1064 . 1 1 82 82 ALA H H 1 7.876 . . . . . . . A 94 ALA H . 34234 1 1065 . 1 1 82 82 ALA HA H 1 4.089 . . . . . . . A 94 ALA HA . 34234 1 1066 . 1 1 82 82 ALA HB1 H 1 1.371 . . . . . . . A 94 ALA HB1 . 34234 1 1067 . 1 1 82 82 ALA HB2 H 1 1.371 . . . . . . . A 94 ALA HB2 . 34234 1 1068 . 1 1 82 82 ALA HB3 H 1 1.371 . . . . . . . A 94 ALA HB3 . 34234 1 1069 . 1 1 82 82 ALA C C 13 178.495 . . . . . . . A 94 ALA C . 34234 1 1070 . 1 1 82 82 ALA CA C 13 53.758 . . . . . . . A 94 ALA CA . 34234 1 1071 . 1 1 82 82 ALA CB C 13 18.679 . . . . . . . A 94 ALA CB . 34234 1 1072 . 1 1 82 82 ALA N N 15 119.874 . . . . . . . A 94 ALA N . 34234 1 1073 . 1 1 83 83 LEU H H 1 7.582 . . . . . . . A 95 LEU H . 34234 1 1074 . 1 1 83 83 LEU HA H 1 3.966 . . . . . . . A 95 LEU HA . 34234 1 1075 . 1 1 83 83 LEU HB2 H 1 1.160 . . . . . . . A 95 LEU HB2 . 34234 1 1076 . 1 1 83 83 LEU HB3 H 1 0.984 . . . . . . . A 95 LEU HB3 . 34234 1 1077 . 1 1 83 83 LEU HG H 1 1.227 . . . . . . . A 95 LEU HG . 34234 1 1078 . 1 1 83 83 LEU HD11 H 1 0.638 . . . . . . . A 95 LEU HD11 . 34234 1 1079 . 1 1 83 83 LEU HD12 H 1 0.638 . . . . . . . A 95 LEU HD12 . 34234 1 1080 . 1 1 83 83 LEU HD13 H 1 0.638 . . . . . . . A 95 LEU HD13 . 34234 1 1081 . 1 1 83 83 LEU HD21 H 1 0.525 . . . . . . . A 95 LEU HD21 . 34234 1 1082 . 1 1 83 83 LEU HD22 H 1 0.525 . . . . . . . A 95 LEU HD22 . 34234 1 1083 . 1 1 83 83 LEU HD23 H 1 0.525 . . . . . . . A 95 LEU HD23 . 34234 1 1084 . 1 1 83 83 LEU C C 13 176.493 . . . . . . . A 95 LEU C . 34234 1 1085 . 1 1 83 83 LEU CA C 13 56.100 . . . . . . . A 95 LEU CA . 34234 1 1086 . 1 1 83 83 LEU CB C 13 42.711 . . . . . . . A 95 LEU CB . 34234 1 1087 . 1 1 83 83 LEU CG C 13 26.700 . . . . . . . A 95 LEU CG . 34234 1 1088 . 1 1 83 83 LEU CD1 C 13 24.800 . . . . . . . A 95 LEU CD1 . 34234 1 1089 . 1 1 83 83 LEU CD2 C 13 24.227 . . . . . . . A 95 LEU CD2 . 34234 1 1090 . 1 1 83 83 LEU N N 15 116.492 . . . . . . . A 95 LEU N . 34234 1 1091 . 1 1 84 84 PHE H H 1 7.338 . . . . . . . A 96 PHE H . 34234 1 1092 . 1 1 84 84 PHE HA H 1 4.472 . . . . . . . A 96 PHE HA . 34234 1 1093 . 1 1 84 84 PHE HB2 H 1 2.710 . . . . . . . A 96 PHE HB2 . 34234 1 1094 . 1 1 84 84 PHE HB3 H 1 3.015 . . . . . . . A 96 PHE HB3 . 34234 1 1095 . 1 1 84 84 PHE HD1 H 1 6.857 . . . . . . . A 96 PHE HD1 . 34234 1 1096 . 1 1 84 84 PHE HD2 H 1 6.860 . . . . . . . A 96 PHE HD2 . 34234 1 1097 . 1 1 84 84 PHE HE1 H 1 6.850 . . . . . . . A 96 PHE HE1 . 34234 1 1098 . 1 1 84 84 PHE HE2 H 1 6.850 . . . . . . . A 96 PHE HE2 . 34234 1 1099 . 1 1 84 84 PHE HZ H 1 6.814 . . . . . . . A 96 PHE HZ . 34234 1 1100 . 1 1 84 84 PHE C C 13 174.992 . . . . . . . A 96 PHE C . 34234 1 1101 . 1 1 84 84 PHE CA C 13 56.470 . . . . . . . A 96 PHE CA . 34234 1 1102 . 1 1 84 84 PHE CB C 13 39.000 . . . . . . . A 96 PHE CB . 34234 1 1103 . 1 1 84 84 PHE CD1 C 13 133.700 . . . . . . . A 96 PHE CD1 . 34234 1 1104 . 1 1 84 84 PHE CD2 C 13 133.700 . . . . . . . A 96 PHE CD2 . 34234 1 1105 . 1 1 84 84 PHE CE1 C 13 132.600 . . . . . . . A 96 PHE CE1 . 34234 1 1106 . 1 1 84 84 PHE CE2 C 13 132.600 . . . . . . . A 96 PHE CE2 . 34234 1 1107 . 1 1 84 84 PHE CZ C 13 130.200 . . . . . . . A 96 PHE CZ . 34234 1 1108 . 1 1 84 84 PHE N N 15 115.503 . . . . . . . A 96 PHE N . 34234 1 1109 . 1 1 85 85 ARG H H 1 7.638 . . . . . . . A 97 ARG H . 34234 1 1110 . 1 1 85 85 ARG HA H 1 4.361 . . . . . . . A 97 ARG HA . 34234 1 1111 . 1 1 85 85 ARG HB2 H 1 1.789 . . . . . . . A 97 ARG HB2 . 34234 1 1112 . 1 1 85 85 ARG HB3 H 1 1.885 . . . . . . . A 97 ARG HB3 . 34234 1 1113 . 1 1 85 85 ARG HG2 H 1 1.645 . . . . . . . A 97 ARG HG2 . 34234 1 1114 . 1 1 85 85 ARG HG3 H 1 1.645 . . . . . . . A 97 ARG HG3 . 34234 1 1115 . 1 1 85 85 ARG HD2 H 1 3.183 . . . . . . . A 97 ARG HD2 . 34234 1 1116 . 1 1 85 85 ARG HD3 H 1 3.183 . . . . . . . A 97 ARG HD3 . 34234 1 1117 . 1 1 85 85 ARG C C 13 175.271 . . . . . . . A 97 ARG C . 34234 1 1118 . 1 1 85 85 ARG CA C 13 56.262 . . . . . . . A 97 ARG CA . 34234 1 1119 . 1 1 85 85 ARG CB C 13 31.200 . . . . . . . A 97 ARG CB . 34234 1 1120 . 1 1 85 85 ARG CG C 13 27.073 . . . . . . . A 97 ARG CG . 34234 1 1121 . 1 1 85 85 ARG CD C 13 43.461 . . . . . . . A 97 ARG CD . 34234 1 1122 . 1 1 85 85 ARG N N 15 120.698 . . . . . . . A 97 ARG N . 34234 1 1123 . 1 1 86 86 GLU H H 1 8.129 . . . . . . . A 98 GLU H . 34234 1 1124 . 1 1 86 86 GLU HA H 1 4.145 . . . . . . . A 98 GLU HA . 34234 1 1125 . 1 1 86 86 GLU HB2 H 1 2.080 . . . . . . . A 98 GLU HB2 . 34234 1 1126 . 1 1 86 86 GLU HB3 H 1 2.080 . . . . . . . A 98 GLU HB3 . 34234 1 1127 . 1 1 86 86 GLU HG2 H 1 2.253 . . . . . . . A 98 GLU HG2 . 34234 1 1128 . 1 1 86 86 GLU HG3 H 1 2.254 . . . . . . . A 98 GLU HG3 . 34234 1 1129 . 1 1 86 86 GLU C C 13 181.199 . . . . . . . A 98 GLU C . 34234 1 1130 . 1 1 86 86 GLU CA C 13 58.266 . . . . . . . A 98 GLU CA . 34234 1 1131 . 1 1 86 86 GLU CB C 13 31.195 . . . . . . . A 98 GLU CB . 34234 1 1132 . 1 1 86 86 GLU CG C 13 36.707 . . . . . . . A 98 GLU CG . 34234 1 1133 . 1 1 86 86 GLU N N 15 127.728 . . . . . . . A 98 GLU N . 34234 1 stop_ save_