data_34047 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34047 _Entry.Title ; NMR structure of the N-terminal domain of the Bacteriophage T5 decoration protein pb10 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-09-22 _Entry.Accession_date 2016-09-22 _Entry.Last_release_date 2016-11-11 _Entry.Original_release_date 2016-11-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 E. Vernhes E. . . . 34047 2 B. Gilquin B. . . . 34047 3 P. Cuniasse P. . . . 34047 4 P. Boulanger P. . . . 34047 5 S. Zinn-justin S. . . . 34047 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Bacteriophage T5 Decoration Protein' . 34047 'Viral protein' . 34047 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34047 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 332 34047 '15N chemical shifts' 68 34047 '1H chemical shifts' 521 34047 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-04-17 2016-09-22 update BMRB 'update entry citation' 34047 1 . . 2017-04-13 2016-09-22 original author 'original release' 34047 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5LXL 'BMRB Entry Tracking System' 34047 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34047 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/srep41662 _Citation.PubMed_ID 28165000 _Citation.Full_citation . _Citation.Title ; High affinity anchoring of the decoration protein pb10 onto the bacteriophage T5 capsid ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 7 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 41662 _Citation.Page_last 41662 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Emeline Vernhes E. . . . 34047 1 2 Madalena Renouard M. . . . 34047 1 3 Bernard Gilquin B. . . . 34047 1 4 Philippe Cuniasse P. . . . 34047 1 5 Dominique Durand D. . . . 34047 1 6 Patrick England P. . . . 34047 1 7 Sylviane Hoos S. . . . 34047 1 8 Alexis Huet A. . . . 34047 1 9 James Conway J. F. . . 34047 1 10 Anatoly Glukhov A. . . . 34047 1 11 Vladimir Ksenzenko V. . . . 34047 1 12 Eric Jacquet E. . . . 34047 1 13 Naima Nhiri N. . . . 34047 1 14 Sophie Zinn-Justin S. . . . 34047 1 15 Pascale Boulanger P. . . . 34047 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34047 _Assembly.ID 1 _Assembly.Name 'Decoration protein' _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 . . . . . . 34047 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34047 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Decoration protein' _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 ; MGIDYSGLRTIFGEKLPESH IFFATVAAHKYVPSYAFLRR ELGLSSAHTNRKVWKKFVEA YGKAIPPAPPAPPLTLSKLE HHHHHH ; _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 'N-terminal domain, UNP residues 2-77' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9758.273 _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 'Capsid protein pb10' na 34047 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 0 MET . 34047 1 2 1 GLY . 34047 1 3 2 ILE . 34047 1 4 3 ASP . 34047 1 5 4 TYR . 34047 1 6 5 SER . 34047 1 7 6 GLY . 34047 1 8 7 LEU . 34047 1 9 8 ARG . 34047 1 10 9 THR . 34047 1 11 10 ILE . 34047 1 12 11 PHE . 34047 1 13 12 GLY . 34047 1 14 13 GLU . 34047 1 15 14 LYS . 34047 1 16 15 LEU . 34047 1 17 16 PRO . 34047 1 18 17 GLU . 34047 1 19 18 SER . 34047 1 20 19 HIS . 34047 1 21 20 ILE . 34047 1 22 21 PHE . 34047 1 23 22 PHE . 34047 1 24 23 ALA . 34047 1 25 24 THR . 34047 1 26 25 VAL . 34047 1 27 26 ALA . 34047 1 28 27 ALA . 34047 1 29 28 HIS . 34047 1 30 29 LYS . 34047 1 31 30 TYR . 34047 1 32 31 VAL . 34047 1 33 32 PRO . 34047 1 34 33 SER . 34047 1 35 34 TYR . 34047 1 36 35 ALA . 34047 1 37 36 PHE . 34047 1 38 37 LEU . 34047 1 39 38 ARG . 34047 1 40 39 ARG . 34047 1 41 40 GLU . 34047 1 42 41 LEU . 34047 1 43 42 GLY . 34047 1 44 43 LEU . 34047 1 45 44 SER . 34047 1 46 45 SER . 34047 1 47 46 ALA . 34047 1 48 47 HIS . 34047 1 49 48 THR . 34047 1 50 49 ASN . 34047 1 51 50 ARG . 34047 1 52 51 LYS . 34047 1 53 52 VAL . 34047 1 54 53 TRP . 34047 1 55 54 LYS . 34047 1 56 55 LYS . 34047 1 57 56 PHE . 34047 1 58 57 VAL . 34047 1 59 58 GLU . 34047 1 60 59 ALA . 34047 1 61 60 TYR . 34047 1 62 61 GLY . 34047 1 63 62 LYS . 34047 1 64 63 ALA . 34047 1 65 64 ILE . 34047 1 66 65 PRO . 34047 1 67 66 PRO . 34047 1 68 67 ALA . 34047 1 69 68 PRO . 34047 1 70 69 PRO . 34047 1 71 70 ALA . 34047 1 72 71 PRO . 34047 1 73 72 PRO . 34047 1 74 73 LEU . 34047 1 75 74 THR . 34047 1 76 75 LEU . 34047 1 77 76 SER . 34047 1 78 77 LYS . 34047 1 79 78 LEU . 34047 1 80 79 GLU . 34047 1 81 80 HIS . 34047 1 82 81 HIS . 34047 1 83 82 HIS . 34047 1 84 83 HIS . 34047 1 85 84 HIS . 34047 1 86 85 HIS . 34047 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 . MET 1 1 34047 1 . GLY 2 2 34047 1 . ILE 3 3 34047 1 . ASP 4 4 34047 1 . TYR 5 5 34047 1 . SER 6 6 34047 1 . GLY 7 7 34047 1 . LEU 8 8 34047 1 . ARG 9 9 34047 1 . THR 10 10 34047 1 . ILE 11 11 34047 1 . PHE 12 12 34047 1 . GLY 13 13 34047 1 . GLU 14 14 34047 1 . LYS 15 15 34047 1 . LEU 16 16 34047 1 . PRO 17 17 34047 1 . GLU 18 18 34047 1 . SER 19 19 34047 1 . HIS 20 20 34047 1 . ILE 21 21 34047 1 . PHE 22 22 34047 1 . PHE 23 23 34047 1 . ALA 24 24 34047 1 . THR 25 25 34047 1 . VAL 26 26 34047 1 . ALA 27 27 34047 1 . ALA 28 28 34047 1 . HIS 29 29 34047 1 . LYS 30 30 34047 1 . TYR 31 31 34047 1 . VAL 32 32 34047 1 . PRO 33 33 34047 1 . SER 34 34 34047 1 . TYR 35 35 34047 1 . ALA 36 36 34047 1 . PHE 37 37 34047 1 . LEU 38 38 34047 1 . ARG 39 39 34047 1 . ARG 40 40 34047 1 . GLU 41 41 34047 1 . LEU 42 42 34047 1 . GLY 43 43 34047 1 . LEU 44 44 34047 1 . SER 45 45 34047 1 . SER 46 46 34047 1 . ALA 47 47 34047 1 . HIS 48 48 34047 1 . THR 49 49 34047 1 . ASN 50 50 34047 1 . ARG 51 51 34047 1 . LYS 52 52 34047 1 . VAL 53 53 34047 1 . TRP 54 54 34047 1 . LYS 55 55 34047 1 . LYS 56 56 34047 1 . PHE 57 57 34047 1 . VAL 58 58 34047 1 . GLU 59 59 34047 1 . ALA 60 60 34047 1 . TYR 61 61 34047 1 . GLY 62 62 34047 1 . LYS 63 63 34047 1 . ALA 64 64 34047 1 . ILE 65 65 34047 1 . PRO 66 66 34047 1 . PRO 67 67 34047 1 . ALA 68 68 34047 1 . PRO 69 69 34047 1 . PRO 70 70 34047 1 . ALA 71 71 34047 1 . PRO 72 72 34047 1 . PRO 73 73 34047 1 . LEU 74 74 34047 1 . THR 75 75 34047 1 . LEU 76 76 34047 1 . SER 77 77 34047 1 . LYS 78 78 34047 1 . LEU 79 79 34047 1 . GLU 80 80 34047 1 . HIS 81 81 34047 1 . HIS 82 82 34047 1 . HIS 83 83 34047 1 . HIS 84 84 34047 1 . HIS 85 85 34047 1 . HIS 86 86 34047 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 34047 _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 . 10726 organism . 'Escherichia phage T5' 'Escherichia phage T5' . . Viruses . T5virus . . . . . . . . . . . . 'N5, T5.151, T5p147' . 34047 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 34047 _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 . . . . . . . . . . 34047 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34047 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-99% 13C; U-99% 15N] n77, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 n77 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34047 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 34047 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 34047 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 34047 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34047 1 pH 7.2 . pH 34047 1 pressure 1 . atm 34047 1 temperature 293 . K 34047 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34047 _Software.ID 1 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34047 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34047 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34047 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34047 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34047 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34047 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34047 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34047 3 'peak picking' 34047 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34047 _Software.ID 4 _Software.Type . _Software.Name INCA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Savarin P., Zinn-Justin S., Gilquin B., 19,2001, J. Biomol NMR, pp. 49-62' . . 34047 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34047 4 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 34047 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX600 _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 34047 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX700 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34047 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX600 . 600 . . . 34047 1 2 NMR_spectrometer_2 Bruker DRX700 . 700 . . . 34047 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 34047 _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 HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34047 1 2 '3D TOCSY-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34047 1 3 '3D HN-HA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34047 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34047 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34047 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34047 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34047 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34047 1 9 '3D HN(COCA)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34047 1 10 '3D HN(CA)NNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34047 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 34047 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34047 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34047 1 N 15 DSS nitrogen . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34047 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 34047 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 HSQC' . . . 34047 1 2 '3D TOCSY-NOESY' . . . 34047 1 4 '3D CBCA(CO)NH' . . . 34047 1 5 '3D HNCACB' . . . 34047 1 7 '3D HN(CA)CO' . . . 34047 1 8 '3D HNCO' . . . 34047 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 34047 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 MET HA H 1 3.924 0.00 . 1 . . . . A 0 MET HA . 34047 1 2 . 1 1 1 1 MET HB2 H 1 2.026 0.00 . 2 . . . . A 0 MET HB2 . 34047 1 3 . 1 1 1 1 MET HB3 H 1 2.062 0.00 . 2 . . . . A 0 MET HB3 . 34047 1 4 . 1 1 1 1 MET HG2 H 1 2.556 0.00 . 1 . . . . A 0 MET HG2 . 34047 1 5 . 1 1 1 1 MET HG3 H 1 2.556 0.00 . 1 . . . . A 0 MET HG3 . 34047 1 6 . 1 1 1 1 MET CA C 13 56.077 0.00 . 1 . . . . A 0 MET CA . 34047 1 7 . 1 1 1 1 MET CB C 13 34.349 0.00 . 1 . . . . A 0 MET CB . 34047 1 8 . 1 1 1 1 MET CG C 13 31.066 0.00 . 1 . . . . A 0 MET CG . 34047 1 9 . 1 1 2 2 GLY H H 1 8.109 0.00 . 1 . . . . A 1 GLY H . 34047 1 10 . 1 1 2 2 GLY HA2 H 1 3.950 0.00 . 2 . . . . A 1 GLY HA2 . 34047 1 11 . 1 1 2 2 GLY HA3 H 1 4.000 0.00 . 2 . . . . A 1 GLY HA3 . 34047 1 12 . 1 1 2 2 GLY C C 13 173.563 0.00 . 1 . . . . A 1 GLY C . 34047 1 13 . 1 1 2 2 GLY CA C 13 44.781 0.00 . 1 . . . . A 1 GLY CA . 34047 1 14 . 1 1 3 3 ILE H H 1 8.093 0.00 . 1 . . . . A 2 ILE H . 34047 1 15 . 1 1 3 3 ILE HA H 1 4.060 0.00 . 1 . . . . A 2 ILE HA . 34047 1 16 . 1 1 3 3 ILE HB H 1 1.107 0.00 . 1 . . . . A 2 ILE HB . 34047 1 17 . 1 1 3 3 ILE HG12 H 1 0.378 0.00 . 1 . . . . A 2 ILE HG12 . 34047 1 18 . 1 1 3 3 ILE HG13 H 1 0.378 0.00 . 1 . . . . A 2 ILE HG13 . 34047 1 19 . 1 1 3 3 ILE HG21 H 1 0.072 0.00 . 1 . . . . A 2 ILE HG21 . 34047 1 20 . 1 1 3 3 ILE HG22 H 1 0.072 0.00 . 1 . . . . A 2 ILE HG22 . 34047 1 21 . 1 1 3 3 ILE HG23 H 1 0.072 0.00 . 1 . . . . A 2 ILE HG23 . 34047 1 22 . 1 1 3 3 ILE HD11 H 1 0.739 0.00 . 1 . . . . A 2 ILE HD11 . 34047 1 23 . 1 1 3 3 ILE HD12 H 1 0.739 0.00 . 1 . . . . A 2 ILE HD12 . 34047 1 24 . 1 1 3 3 ILE HD13 H 1 0.739 0.00 . 1 . . . . A 2 ILE HD13 . 34047 1 25 . 1 1 3 3 ILE C C 13 175.339 0.00 . 1 . . . . A 2 ILE C . 34047 1 26 . 1 1 3 3 ILE CA C 13 61.511 0.00 . 1 . . . . A 2 ILE CA . 34047 1 27 . 1 1 3 3 ILE CB C 13 39.176 0.00 . 1 . . . . A 2 ILE CB . 34047 1 28 . 1 1 3 3 ILE CG1 C 13 24.358 0.00 . 1 . . . . A 2 ILE CG1 . 34047 1 29 . 1 1 3 3 ILE CG2 C 13 16.773 0.00 . 1 . . . . A 2 ILE CG2 . 34047 1 30 . 1 1 3 3 ILE CD1 C 13 13.713 0.00 . 1 . . . . A 2 ILE CD1 . 34047 1 31 . 1 1 3 3 ILE N N 15 121.376 0.00 . 1 . . . . A 2 ILE N . 34047 1 32 . 1 1 4 4 ASP H H 1 8.901 0.00 . 1 . . . . A 3 ASP H . 34047 1 33 . 1 1 4 4 ASP HA H 1 4.627 0.00 . 1 . . . . A 3 ASP HA . 34047 1 34 . 1 1 4 4 ASP HB2 H 1 3.064 0.00 . 2 . . . . A 3 ASP HB2 . 34047 1 35 . 1 1 4 4 ASP HB3 H 1 2.481 0.00 . 2 . . . . A 3 ASP HB3 . 34047 1 36 . 1 1 4 4 ASP C C 13 175.500 0.00 . 1 . . . . A 3 ASP C . 34047 1 37 . 1 1 4 4 ASP CA C 13 51.630 0.00 . 1 . . . . A 3 ASP CA . 34047 1 38 . 1 1 4 4 ASP CB C 13 38.837 0.00 . 1 . . . . A 3 ASP CB . 34047 1 39 . 1 1 4 4 ASP N N 15 127.949 0.00 . 1 . . . . A 3 ASP N . 34047 1 40 . 1 1 5 5 TYR H H 1 7.665 0.00 . 1 . . . . A 4 TYR H . 34047 1 41 . 1 1 5 5 TYR HA H 1 3.835 0.00 . 1 . . . . A 4 TYR HA . 34047 1 42 . 1 1 5 5 TYR HB2 H 1 2.579 0.00 . 2 . . . . A 4 TYR HB2 . 34047 1 43 . 1 1 5 5 TYR HB3 H 1 2.820 0.00 . 2 . . . . A 4 TYR HB3 . 34047 1 44 . 1 1 5 5 TYR HD1 H 1 6.960 0.00 . 1 . . . . A 4 TYR HD1 . 34047 1 45 . 1 1 5 5 TYR HD2 H 1 6.960 0.00 . 1 . . . . A 4 TYR HD2 . 34047 1 46 . 1 1 5 5 TYR HE1 H 1 6.635 0.00 . 1 . . . . A 4 TYR HE1 . 34047 1 47 . 1 1 5 5 TYR HE2 H 1 6.635 0.00 . 1 . . . . A 4 TYR HE2 . 34047 1 48 . 1 1 5 5 TYR C C 13 177.736 0.00 . 1 . . . . A 4 TYR C . 34047 1 49 . 1 1 5 5 TYR CA C 13 63.516 0.00 . 1 . . . . A 4 TYR CA . 34047 1 50 . 1 1 5 5 TYR CB C 13 37.862 0.00 . 1 . . . . A 4 TYR CB . 34047 1 51 . 1 1 5 5 TYR CD1 C 13 132.713 0.00 . 1 . . . . A 4 TYR CD1 . 34047 1 52 . 1 1 5 5 TYR CD2 C 13 132.713 0.00 . 1 . . . . A 4 TYR CD2 . 34047 1 53 . 1 1 5 5 TYR CE1 C 13 117.692 0.00 . 1 . . . . A 4 TYR CE1 . 34047 1 54 . 1 1 5 5 TYR CE2 C 13 117.692 0.00 . 1 . . . . A 4 TYR CE2 . 34047 1 55 . 1 1 5 5 TYR N N 15 123.951 0.00 . 1 . . . . A 4 TYR N . 34047 1 56 . 1 1 6 6 SER H H 1 8.283 0.00 . 1 . . . . A 5 SER H . 34047 1 57 . 1 1 6 6 SER HA H 1 3.799 0.00 . 1 . . . . A 5 SER HA . 34047 1 58 . 1 1 6 6 SER HB2 H 1 3.815 0.00 . 1 . . . . A 5 SER HB2 . 34047 1 59 . 1 1 6 6 SER HB3 H 1 3.815 0.00 . 1 . . . . A 5 SER HB3 . 34047 1 60 . 1 1 6 6 SER C C 13 177.418 0.00 . 1 . . . . A 5 SER C . 34047 1 61 . 1 1 6 6 SER CA C 13 62.227 0.00 . 1 . . . . A 5 SER CA . 34047 1 62 . 1 1 6 6 SER CB C 13 51.052 0.00 . 1 . . . . A 5 SER CB . 34047 1 63 . 1 1 6 6 SER N N 15 113.930 0.00 . 1 . . . . A 5 SER N . 34047 1 64 . 1 1 7 7 GLY H H 1 8.136 0.00 . 1 . . . . A 6 GLY H . 34047 1 65 . 1 1 7 7 GLY HA2 H 1 3.567 0.00 . 2 . . . . A 6 GLY HA2 . 34047 1 66 . 1 1 7 7 GLY HA3 H 1 2.973 0.00 . 2 . . . . A 6 GLY HA3 . 34047 1 67 . 1 1 7 7 GLY C C 13 176.900 0.00 . 1 . . . . A 6 GLY C . 34047 1 68 . 1 1 7 7 GLY CA C 13 46.592 0.00 . 1 . . . . A 6 GLY CA . 34047 1 69 . 1 1 7 7 GLY N N 15 111.345 0.00 . 1 . . . . A 6 GLY N . 34047 1 70 . 1 1 8 8 LEU H H 1 7.511 0.00 . 1 . . . . A 7 LEU H . 34047 1 71 . 1 1 8 8 LEU HA H 1 3.800 0.00 . 1 . . . . A 7 LEU HA . 34047 1 72 . 1 1 8 8 LEU HB2 H 1 2.249 0.00 . 2 . . . . A 7 LEU HB2 . 34047 1 73 . 1 1 8 8 LEU HB3 H 1 1.724 0.00 . 2 . . . . A 7 LEU HB3 . 34047 1 74 . 1 1 8 8 LEU HG H 1 1.569 0.00 . 1 . . . . A 7 LEU HG . 34047 1 75 . 1 1 8 8 LEU HD11 H 1 1.058 0.00 . 2 . . . . A 7 LEU HD11 . 34047 1 76 . 1 1 8 8 LEU HD12 H 1 1.058 0.00 . 2 . . . . A 7 LEU HD12 . 34047 1 77 . 1 1 8 8 LEU HD13 H 1 1.058 0.00 . 2 . . . . A 7 LEU HD13 . 34047 1 78 . 1 1 8 8 LEU HD21 H 1 1.258 0.00 . 2 . . . . A 7 LEU HD21 . 34047 1 79 . 1 1 8 8 LEU HD22 H 1 1.258 0.00 . 2 . . . . A 7 LEU HD22 . 34047 1 80 . 1 1 8 8 LEU HD23 H 1 1.258 0.00 . 2 . . . . A 7 LEU HD23 . 34047 1 81 . 1 1 8 8 LEU C C 13 179.033 0.00 . 1 . . . . A 7 LEU C . 34047 1 82 . 1 1 8 8 LEU CA C 13 57.854 0.00 . 1 . . . . A 7 LEU CA . 34047 1 83 . 1 1 8 8 LEU CB C 13 44.241 0.00 . 1 . . . . A 7 LEU CB . 34047 1 84 . 1 1 8 8 LEU CG C 13 26.473 0.00 . 1 . . . . A 7 LEU CG . 34047 1 85 . 1 1 8 8 LEU CD1 C 13 26.413 0.00 . 2 . . . . A 7 LEU CD1 . 34047 1 86 . 1 1 8 8 LEU CD2 C 13 24.415 0.00 . 2 . . . . A 7 LEU CD2 . 34047 1 87 . 1 1 8 8 LEU N N 15 121.444 0.00 . 1 . . . . A 7 LEU N . 34047 1 88 . 1 1 9 9 ARG H H 1 8.457 0.00 . 1 . . . . A 8 ARG H . 34047 1 89 . 1 1 9 9 ARG HA H 1 4.446 0.00 . 1 . . . . A 8 ARG HA . 34047 1 90 . 1 1 9 9 ARG HB2 H 1 1.859 0.00 . 2 . . . . A 8 ARG HB2 . 34047 1 91 . 1 1 9 9 ARG HB3 H 1 1.696 0.00 . 2 . . . . A 8 ARG HB3 . 34047 1 92 . 1 1 9 9 ARG HG2 H 1 1.657 0.00 . 2 . . . . A 8 ARG HG2 . 34047 1 93 . 1 1 9 9 ARG HG3 H 1 1.378 0.00 . 2 . . . . A 8 ARG HG3 . 34047 1 94 . 1 1 9 9 ARG HD2 H 1 2.978 0.00 . 1 . . . . A 8 ARG HD2 . 34047 1 95 . 1 1 9 9 ARG HD3 H 1 2.978 0.00 . 1 . . . . A 8 ARG HD3 . 34047 1 96 . 1 1 9 9 ARG HE H 1 7.385 0.00 . 1 . . . . A 8 ARG HE . 34047 1 97 . 1 1 9 9 ARG C C 13 180.086 0.00 . 1 . . . . A 8 ARG C . 34047 1 98 . 1 1 9 9 ARG CA C 13 59.161 0.00 . 1 . . . . A 8 ARG CA . 34047 1 99 . 1 1 9 9 ARG CB C 13 30.275 0.00 . 1 . . . . A 8 ARG CB . 34047 1 100 . 1 1 9 9 ARG CG C 13 27.654 0.00 . 1 . . . . A 8 ARG CG . 34047 1 101 . 1 1 9 9 ARG CD C 13 43.599 0.00 . 1 . . . . A 8 ARG CD . 34047 1 102 . 1 1 9 9 ARG N N 15 120.803 0.00 . 1 . . . . A 8 ARG N . 34047 1 103 . 1 1 9 9 ARG NE N 15 119.379 0.00 . 1 . . . . A 8 ARG NE . 34047 1 104 . 1 1 10 10 THR H H 1 7.535 0.00 . 1 . . . . A 9 THR H . 34047 1 105 . 1 1 10 10 THR HA H 1 3.918 0.00 . 1 . . . . A 9 THR HA . 34047 1 106 . 1 1 10 10 THR HB H 1 4.141 0.00 . 1 . . . . A 9 THR HB . 34047 1 107 . 1 1 10 10 THR HG21 H 1 1.229 0.00 . 1 . . . . A 9 THR HG21 . 34047 1 108 . 1 1 10 10 THR HG22 H 1 1.229 0.00 . 1 . . . . A 9 THR HG22 . 34047 1 109 . 1 1 10 10 THR HG23 H 1 1.229 0.00 . 1 . . . . A 9 THR HG23 . 34047 1 110 . 1 1 10 10 THR C C 13 174.629 0.00 . 1 . . . . A 9 THR C . 34047 1 111 . 1 1 10 10 THR CA C 13 65.554 0.00 . 1 . . . . A 9 THR CA . 34047 1 112 . 1 1 10 10 THR CB C 13 69.069 0.00 . 1 . . . . A 9 THR CB . 34047 1 113 . 1 1 10 10 THR CG2 C 13 21.571 0.00 . 1 . . . . A 9 THR CG2 . 34047 1 114 . 1 1 10 10 THR N N 15 113.054 0.00 . 1 . . . . A 9 THR N . 34047 1 115 . 1 1 11 11 ILE H H 1 7.094 0.00 . 1 . . . . A 10 ILE H . 34047 1 116 . 1 1 11 11 ILE HA H 1 3.616 0.00 . 1 . . . . A 10 ILE HA . 34047 1 117 . 1 1 11 11 ILE HB H 1 1.279 0.00 . 1 . . . . A 10 ILE HB . 34047 1 118 . 1 1 11 11 ILE HG12 H 1 0.696 0.00 . 2 . . . . A 10 ILE HG12 . 34047 1 119 . 1 1 11 11 ILE HG13 H 1 1.421 0.00 . 2 . . . . A 10 ILE HG13 . 34047 1 120 . 1 1 11 11 ILE HD11 H 1 0.570 0.00 . 1 . . . . A 10 ILE HD11 . 34047 1 121 . 1 1 11 11 ILE HD12 H 1 0.570 0.00 . 1 . . . . A 10 ILE HD12 . 34047 1 122 . 1 1 11 11 ILE HD13 H 1 0.570 0.00 . 1 . . . . A 10 ILE HD13 . 34047 1 123 . 1 1 11 11 ILE C C 13 177.539 0.00 . 1 . . . . A 10 ILE C . 34047 1 124 . 1 1 11 11 ILE CA C 13 63.518 0.00 . 1 . . . . A 10 ILE CA . 34047 1 125 . 1 1 11 11 ILE CB C 13 39.420 0.00 . 1 . . . . A 10 ILE CB . 34047 1 126 . 1 1 11 11 ILE CG1 C 13 27.218 0.00 . 1 . . . . A 10 ILE CG1 . 34047 1 127 . 1 1 11 11 ILE CG2 C 13 15.939 0.00 . 1 . . . . A 10 ILE CG2 . 34047 1 128 . 1 1 11 11 ILE CD1 C 13 13.996 0.00 . 1 . . . . A 10 ILE CD1 . 34047 1 129 . 1 1 11 11 ILE N N 15 119.655 0.00 . 1 . . . . A 10 ILE N . 34047 1 130 . 1 1 12 12 PHE H H 1 7.933 0.00 . 1 . . . . A 11 PHE H . 34047 1 131 . 1 1 12 12 PHE HA H 1 4.520 0.00 . 1 . . . . A 11 PHE HA . 34047 1 132 . 1 1 12 12 PHE HB2 H 1 2.689 0.00 . 2 . . . . A 11 PHE HB2 . 34047 1 133 . 1 1 12 12 PHE HB3 H 1 3.372 0.00 . 2 . . . . A 11 PHE HB3 . 34047 1 134 . 1 1 12 12 PHE HD1 H 1 7.354 0.00 . 1 . . . . A 11 PHE HD1 . 34047 1 135 . 1 1 12 12 PHE HD2 H 1 7.354 0.00 . 1 . . . . A 11 PHE HD2 . 34047 1 136 . 1 1 12 12 PHE HE1 H 1 7.061 0.00 . 1 . . . . A 11 PHE HE1 . 34047 1 137 . 1 1 12 12 PHE HE2 H 1 7.061 0.00 . 1 . . . . A 11 PHE HE2 . 34047 1 138 . 1 1 12 12 PHE HZ H 1 6.760 0.00 . 1 . . . . A 11 PHE HZ . 34047 1 139 . 1 1 12 12 PHE C C 13 175.994 0.00 . 1 . . . . A 11 PHE C . 34047 1 140 . 1 1 12 12 PHE CA C 13 59.508 0.00 . 1 . . . . A 11 PHE CA . 34047 1 141 . 1 1 12 12 PHE CB C 13 41.008 0.00 . 1 . . . . A 11 PHE CB . 34047 1 142 . 1 1 12 12 PHE CD1 C 13 132.227 0.00 . 1 . . . . A 11 PHE CD1 . 34047 1 143 . 1 1 12 12 PHE CD2 C 13 132.227 0.00 . 1 . . . . A 11 PHE CD2 . 34047 1 144 . 1 1 12 12 PHE CE1 C 13 132.170 0.00 . 1 . . . . A 11 PHE CE1 . 34047 1 145 . 1 1 12 12 PHE CE2 C 13 132.170 0.00 . 1 . . . . A 11 PHE CE2 . 34047 1 146 . 1 1 12 12 PHE CZ C 13 129.337 0.00 . 1 . . . . A 11 PHE CZ . 34047 1 147 . 1 1 12 12 PHE N N 15 114.731 0.00 . 1 . . . . A 11 PHE N . 34047 1 148 . 1 1 13 13 GLY H H 1 8.504 0.00 . 1 . . . . A 12 GLY H . 34047 1 149 . 1 1 13 13 GLY HA2 H 1 4.062 0.00 . 2 . . . . A 12 GLY HA2 . 34047 1 150 . 1 1 13 13 GLY HA3 H 1 3.764 0.00 . 2 . . . . A 12 GLY HA3 . 34047 1 151 . 1 1 13 13 GLY C C 13 174.629 0.00 . 1 . . . . A 12 GLY C . 34047 1 152 . 1 1 13 13 GLY CA C 13 45.239 0.00 . 1 . . . . A 12 GLY CA . 34047 1 153 . 1 1 13 13 GLY N N 15 108.187 0.00 . 1 . . . . A 12 GLY N . 34047 1 154 . 1 1 14 14 GLU H H 1 8.737 0.00 . 1 . . . . A 13 GLU H . 34047 1 155 . 1 1 14 14 GLU HA H 1 3.975 0.00 . 1 . . . . A 13 GLU HA . 34047 1 156 . 1 1 14 14 GLU HB2 H 1 2.051 0.00 . 2 . . . . A 13 GLU HB2 . 34047 1 157 . 1 1 14 14 GLU HB3 H 1 1.896 0.00 . 2 . . . . A 13 GLU HB3 . 34047 1 158 . 1 1 14 14 GLU HG2 H 1 2.131 0.00 . 1 . . . . A 13 GLU HG2 . 34047 1 159 . 1 1 14 14 GLU HG3 H 1 2.131 0.00 . 1 . . . . A 13 GLU HG3 . 34047 1 160 . 1 1 14 14 GLU C C 13 174.966 0.00 . 1 . . . . A 13 GLU C . 34047 1 161 . 1 1 14 14 GLU CA C 13 58.578 0.00 . 1 . . . . A 13 GLU CA . 34047 1 162 . 1 1 14 14 GLU CB C 13 29.990 0.00 . 1 . . . . A 13 GLU CB . 34047 1 163 . 1 1 14 14 GLU CG C 13 36.685 0.00 . 1 . . . . A 13 GLU CG . 34047 1 164 . 1 1 14 14 GLU N N 15 121.764 0.00 . 1 . . . . A 13 GLU N . 34047 1 165 . 1 1 15 15 LYS H H 1 7.707 0.00 . 1 . . . . A 14 LYS H . 34047 1 166 . 1 1 15 15 LYS HA H 1 4.534 0.00 . 1 . . . . A 14 LYS HA . 34047 1 167 . 1 1 15 15 LYS HB2 H 1 1.620 0.00 . 2 . . . . A 14 LYS HB2 . 34047 1 168 . 1 1 15 15 LYS HB3 H 1 1.556 0.00 . 2 . . . . A 14 LYS HB3 . 34047 1 169 . 1 1 15 15 LYS HG2 H 1 1.226 0.00 . 1 . . . . A 14 LYS HG2 . 34047 1 170 . 1 1 15 15 LYS HG3 H 1 1.226 0.00 . 1 . . . . A 14 LYS HG3 . 34047 1 171 . 1 1 15 15 LYS HD2 H 1 1.540 0.00 . 1 . . . . A 14 LYS HD2 . 34047 1 172 . 1 1 15 15 LYS HD3 H 1 1.540 0.00 . 1 . . . . A 14 LYS HD3 . 34047 1 173 . 1 1 15 15 LYS HE2 H 1 2.863 0.00 . 1 . . . . A 14 LYS HE2 . 34047 1 174 . 1 1 15 15 LYS HE3 H 1 2.863 0.00 . 1 . . . . A 14 LYS HE3 . 34047 1 175 . 1 1 15 15 LYS C C 13 174.526 0.00 . 1 . . . . A 14 LYS C . 34047 1 176 . 1 1 15 15 LYS CA C 13 54.223 0.00 . 1 . . . . A 14 LYS CA . 34047 1 177 . 1 1 15 15 LYS CB C 13 35.021 0.00 . 1 . . . . A 14 LYS CB . 34047 1 178 . 1 1 15 15 LYS CG C 13 24.428 0.00 . 1 . . . . A 14 LYS CG . 34047 1 179 . 1 1 15 15 LYS CD C 13 29.141 0.00 . 1 . . . . A 14 LYS CD . 34047 1 180 . 1 1 15 15 LYS CE C 13 41.850 0.00 . 1 . . . . A 14 LYS CE . 34047 1 181 . 1 1 15 15 LYS N N 15 117.739 0.00 . 1 . . . . A 14 LYS N . 34047 1 182 . 1 1 16 16 LEU H H 1 8.285 0.00 . 1 . . . . A 15 LEU H . 34047 1 183 . 1 1 16 16 LEU HA H 1 3.840 0.00 . 1 . . . . A 15 LEU HA . 34047 1 184 . 1 1 16 16 LEU HB2 H 1 1.129 0.00 . 2 . . . . A 15 LEU HB2 . 34047 1 185 . 1 1 16 16 LEU HB3 H 1 0.927 0.00 . 2 . . . . A 15 LEU HB3 . 34047 1 186 . 1 1 16 16 LEU HG H 1 0.109 0.00 . 1 . . . . A 15 LEU HG . 34047 1 187 . 1 1 16 16 LEU C C 13 175.501 0.00 . 1 . . . . A 15 LEU C . 34047 1 188 . 1 1 16 16 LEU CA C 13 52.636 0.00 . 1 . . . . A 15 LEU CA . 34047 1 189 . 1 1 16 16 LEU CB C 13 41.709 0.00 . 1 . . . . A 15 LEU CB . 34047 1 190 . 1 1 16 16 LEU CG C 13 26.587 0.00 . 1 . . . . A 15 LEU CG . 34047 1 191 . 1 1 16 16 LEU CD1 C 13 26.614 0.00 . 2 . . . . A 15 LEU CD1 . 34047 1 192 . 1 1 16 16 LEU CD2 C 13 23.247 0.00 . 2 . . . . A 15 LEU CD2 . 34047 1 193 . 1 1 16 16 LEU N N 15 123.675 0.00 . 1 . . . . A 15 LEU N . 34047 1 194 . 1 1 17 17 PRO HA H 1 4.588 0.00 . 1 . . . . A 16 PRO HA . 34047 1 195 . 1 1 17 17 PRO HB2 H 1 1.771 0.00 . 2 . . . . A 16 PRO HB2 . 34047 1 196 . 1 1 17 17 PRO HB3 H 1 2.152 0.00 . 2 . . . . A 16 PRO HB3 . 34047 1 197 . 1 1 17 17 PRO HG2 H 1 1.401 0.00 . 2 . . . . A 16 PRO HG2 . 34047 1 198 . 1 1 17 17 PRO HG3 H 1 1.894 0.00 . 2 . . . . A 16 PRO HG3 . 34047 1 199 . 1 1 17 17 PRO HD2 H 1 3.326 0.00 . 2 . . . . A 16 PRO HD2 . 34047 1 200 . 1 1 17 17 PRO HD3 H 1 2.699 0.00 . 2 . . . . A 16 PRO HD3 . 34047 1 201 . 1 1 17 17 PRO C C 13 174.655 0.00 . 1 . . . . A 16 PRO C . 34047 1 202 . 1 1 17 17 PRO CA C 13 61.662 0.00 . 1 . . . . A 16 PRO CA . 34047 1 203 . 1 1 17 17 PRO CB C 13 30.370 0.00 . 1 . . . . A 16 PRO CB . 34047 1 204 . 1 1 17 17 PRO CG C 13 25.797 0.00 . 1 . . . . A 16 PRO CG . 34047 1 205 . 1 1 17 17 PRO CD C 13 48.822 0.00 . 1 . . . . A 16 PRO CD . 34047 1 206 . 1 1 18 18 GLU H H 1 8.034 0.00 . 1 . . . . A 17 GLU H . 34047 1 207 . 1 1 18 18 GLU HA H 1 4.010 0.00 . 1 . . . . A 17 GLU HA . 34047 1 208 . 1 1 18 18 GLU HB2 H 1 1.442 0.00 . 2 . . . . A 17 GLU HB2 . 34047 1 209 . 1 1 18 18 GLU HB3 H 1 2.091 0.00 . 2 . . . . A 17 GLU HB3 . 34047 1 210 . 1 1 18 18 GLU HG2 H 1 2.307 0.00 . 2 . . . . A 17 GLU HG2 . 34047 1 211 . 1 1 18 18 GLU HG3 H 1 2.369 0.00 . 2 . . . . A 17 GLU HG3 . 34047 1 212 . 1 1 18 18 GLU C C 13 178.247 0.00 . 1 . . . . A 17 GLU C . 34047 1 213 . 1 1 18 18 GLU CA C 13 57.177 0.00 . 1 . . . . A 17 GLU CA . 34047 1 214 . 1 1 18 18 GLU CB C 13 31.192 0.00 . 1 . . . . A 17 GLU CB . 34047 1 215 . 1 1 18 18 GLU CG C 13 36.830 0.00 . 1 . . . . A 17 GLU CG . 34047 1 216 . 1 1 18 18 GLU N N 15 115.081 0.00 . 1 . . . . A 17 GLU N . 34047 1 217 . 1 1 19 19 SER H H 1 8.342 0.00 . 1 . . . . A 18 SER H . 34047 1 218 . 1 1 19 19 SER HA H 1 2.745 0.00 . 1 . . . . A 18 SER HA . 34047 1 219 . 1 1 19 19 SER HB2 H 1 1.756 0.00 . 2 . . . . A 18 SER HB2 . 34047 1 220 . 1 1 19 19 SER HB3 H 1 2.194 0.00 . 2 . . . . A 18 SER HB3 . 34047 1 221 . 1 1 19 19 SER C C 13 175.450 0.00 . 1 . . . . A 18 SER C . 34047 1 222 . 1 1 19 19 SER CA C 13 60.961 0.00 . 1 . . . . A 18 SER CA . 34047 1 223 . 1 1 19 19 SER CB C 13 60.947 0.00 . 1 . . . . A 18 SER CB . 34047 1 224 . 1 1 19 19 SER N N 15 118.271 0.00 . 1 . . . . A 18 SER N . 34047 1 225 . 1 1 20 20 HIS H H 1 7.761 0.00 . 1 . . . . A 19 HIS H . 34047 1 226 . 1 1 20 20 HIS HA H 1 4.371 0.00 . 1 . . . . A 19 HIS HA . 34047 1 227 . 1 1 20 20 HIS HB2 H 1 2.925 0.00 . 2 . . . . A 19 HIS HB2 . 34047 1 228 . 1 1 20 20 HIS HB3 H 1 3.005 0.00 . 2 . . . . A 19 HIS HB3 . 34047 1 229 . 1 1 20 20 HIS HD2 H 1 6.888 0.00 . 1 . . . . A 19 HIS HD2 . 34047 1 230 . 1 1 20 20 HIS C C 13 177.984 0.00 . 1 . . . . A 19 HIS C . 34047 1 231 . 1 1 20 20 HIS CA C 13 58.766 0.00 . 1 . . . . A 19 HIS CA . 34047 1 232 . 1 1 20 20 HIS CB C 13 29.162 0.00 . 1 . . . . A 19 HIS CB . 34047 1 233 . 1 1 20 20 HIS CD2 C 13 139.870 0.00 . 1 . . . . A 19 HIS CD2 . 34047 1 234 . 1 1 20 20 HIS N N 15 117.332 0.00 . 1 . . . . A 19 HIS N . 34047 1 235 . 1 1 21 21 ILE H H 1 6.274 0.00 . 1 . . . . A 20 ILE H . 34047 1 236 . 1 1 21 21 ILE HA H 1 3.611 0.00 . 1 . . . . A 20 ILE HA . 34047 1 237 . 1 1 21 21 ILE HB H 1 1.697 0.00 . 1 . . . . A 20 ILE HB . 34047 1 238 . 1 1 21 21 ILE HG12 H 1 0.926 0.00 . 2 . . . . A 20 ILE HG12 . 34047 1 239 . 1 1 21 21 ILE HG13 H 1 0.629 0.00 . 2 . . . . A 20 ILE HG13 . 34047 1 240 . 1 1 21 21 ILE HG21 H 1 0.737 0.00 . 1 . . . . A 20 ILE HG21 . 34047 1 241 . 1 1 21 21 ILE HG22 H 1 0.737 0.00 . 1 . . . . A 20 ILE HG22 . 34047 1 242 . 1 1 21 21 ILE HG23 H 1 0.737 0.00 . 1 . . . . A 20 ILE HG23 . 34047 1 243 . 1 1 21 21 ILE HD11 H 1 0.639 0.00 . 1 . . . . A 20 ILE HD11 . 34047 1 244 . 1 1 21 21 ILE HD12 H 1 0.639 0.00 . 1 . . . . A 20 ILE HD12 . 34047 1 245 . 1 1 21 21 ILE HD13 H 1 0.639 0.00 . 1 . . . . A 20 ILE HD13 . 34047 1 246 . 1 1 21 21 ILE C C 13 179.048 0.00 . 1 . . . . A 20 ILE C . 34047 1 247 . 1 1 21 21 ILE CA C 13 62.334 0.00 . 1 . . . . A 20 ILE CA . 34047 1 248 . 1 1 21 21 ILE CB C 13 36.823 0.00 . 1 . . . . A 20 ILE CB . 34047 1 249 . 1 1 21 21 ILE CG1 C 13 27.136 0.00 . 1 . . . . A 20 ILE CG1 . 34047 1 250 . 1 1 21 21 ILE CG2 C 13 16.874 0.00 . 1 . . . . A 20 ILE CG2 . 34047 1 251 . 1 1 21 21 ILE CD1 C 13 10.894 0.00 . 1 . . . . A 20 ILE CD1 . 34047 1 252 . 1 1 21 21 ILE N N 15 122.546 0.00 . 1 . . . . A 20 ILE N . 34047 1 253 . 1 1 22 22 PHE H H 1 8.037 0.00 . 1 . . . . A 21 PHE H . 34047 1 254 . 1 1 22 22 PHE HA H 1 3.594 0.00 . 1 . . . . A 21 PHE HA . 34047 1 255 . 1 1 22 22 PHE HB2 H 1 2.859 0.00 . 2 . . . . A 21 PHE HB2 . 34047 1 256 . 1 1 22 22 PHE HB3 H 1 2.288 0.00 . 2 . . . . A 21 PHE HB3 . 34047 1 257 . 1 1 22 22 PHE HD1 H 1 5.607 0.00 . 1 . . . . A 21 PHE HD1 . 34047 1 258 . 1 1 22 22 PHE HD2 H 1 5.607 0.00 . 1 . . . . A 21 PHE HD2 . 34047 1 259 . 1 1 22 22 PHE HE1 H 1 6.666 0.00 . 1 . . . . A 21 PHE HE1 . 34047 1 260 . 1 1 22 22 PHE HE2 H 1 6.666 0.00 . 1 . . . . A 21 PHE HE2 . 34047 1 261 . 1 1 22 22 PHE HZ H 1 6.920 0.00 . 1 . . . . A 21 PHE HZ . 34047 1 262 . 1 1 22 22 PHE C C 13 177.394 0.00 . 1 . . . . A 21 PHE C . 34047 1 263 . 1 1 22 22 PHE CA C 13 62.347 0.00 . 1 . . . . A 21 PHE CA . 34047 1 264 . 1 1 22 22 PHE CB C 13 39.860 0.00 . 1 . . . . A 21 PHE CB . 34047 1 265 . 1 1 22 22 PHE CD1 C 13 132.794 0.00 . 1 . . . . A 21 PHE CD1 . 34047 1 266 . 1 1 22 22 PHE CD2 C 13 132.794 0.00 . 1 . . . . A 21 PHE CD2 . 34047 1 267 . 1 1 22 22 PHE CE1 C 13 130.993 0.00 . 1 . . . . A 21 PHE CE1 . 34047 1 268 . 1 1 22 22 PHE CE2 C 13 130.993 0.00 . 1 . . . . A 21 PHE CE2 . 34047 1 269 . 1 1 22 22 PHE CZ C 13 127.965 0.00 . 1 . . . . A 21 PHE CZ . 34047 1 270 . 1 1 22 22 PHE N N 15 123.026 0.00 . 1 . . . . A 21 PHE N . 34047 1 271 . 1 1 23 23 PHE H H 1 8.123 0.00 . 1 . . . . A 22 PHE H . 34047 1 272 . 1 1 23 23 PHE HA H 1 4.274 0.00 . 1 . . . . A 22 PHE HA . 34047 1 273 . 1 1 23 23 PHE HB2 H 1 2.690 0.00 . 2 . . . . A 22 PHE HB2 . 34047 1 274 . 1 1 23 23 PHE HB3 H 1 3.271 0.00 . 2 . . . . A 22 PHE HB3 . 34047 1 275 . 1 1 23 23 PHE HD1 H 1 7.159 0.00 . 1 . . . . A 22 PHE HD1 . 34047 1 276 . 1 1 23 23 PHE HD2 H 1 7.159 0.00 . 1 . . . . A 22 PHE HD2 . 34047 1 277 . 1 1 23 23 PHE HE1 H 1 6.595 0.00 . 1 . . . . A 22 PHE HE1 . 34047 1 278 . 1 1 23 23 PHE HE2 H 1 6.595 0.00 . 1 . . . . A 22 PHE HE2 . 34047 1 279 . 1 1 23 23 PHE HZ H 1 6.144 0.00 . 1 . . . . A 22 PHE HZ . 34047 1 280 . 1 1 23 23 PHE C C 13 176.085 0.00 . 1 . . . . A 22 PHE C . 34047 1 281 . 1 1 23 23 PHE CA C 13 62.387 0.00 . 1 . . . . A 22 PHE CA . 34047 1 282 . 1 1 23 23 PHE CB C 13 38.308 0.00 . 1 . . . . A 22 PHE CB . 34047 1 283 . 1 1 23 23 PHE CD1 C 13 131.424 0.00 . 1 . . . . A 22 PHE CD1 . 34047 1 284 . 1 1 23 23 PHE CD2 C 13 131.424 0.00 . 1 . . . . A 22 PHE CD2 . 34047 1 285 . 1 1 23 23 PHE CE1 C 13 131.157 0.00 . 1 . . . . A 22 PHE CE1 . 34047 1 286 . 1 1 23 23 PHE CE2 C 13 131.157 0.00 . 1 . . . . A 22 PHE CE2 . 34047 1 287 . 1 1 23 23 PHE CZ C 13 127.877 0.00 . 1 . . . . A 22 PHE CZ . 34047 1 288 . 1 1 23 23 PHE N N 15 112.812 0.00 . 1 . . . . A 22 PHE N . 34047 1 289 . 1 1 24 24 ALA H H 1 7.158 0.00 . 1 . . . . A 23 ALA H . 34047 1 290 . 1 1 24 24 ALA HA H 1 4.531 0.00 . 1 . . . . A 23 ALA HA . 34047 1 291 . 1 1 24 24 ALA HB1 H 1 1.447 0.00 . 1 . . . . A 23 ALA HB1 . 34047 1 292 . 1 1 24 24 ALA HB2 H 1 1.447 0.00 . 1 . . . . A 23 ALA HB2 . 34047 1 293 . 1 1 24 24 ALA HB3 H 1 1.447 0.00 . 1 . . . . A 23 ALA HB3 . 34047 1 294 . 1 1 24 24 ALA C C 13 177.084 0.00 . 1 . . . . A 23 ALA C . 34047 1 295 . 1 1 24 24 ALA CA C 13 52.052 0.00 . 1 . . . . A 23 ALA CA . 34047 1 296 . 1 1 24 24 ALA CB C 13 19.310 0.00 . 1 . . . . A 23 ALA CB . 34047 1 297 . 1 1 24 24 ALA N N 15 121.456 0.00 . 1 . . . . A 23 ALA N . 34047 1 298 . 1 1 25 25 THR H H 1 7.376 0.00 . 1 . . . . A 24 THR H . 34047 1 299 . 1 1 25 25 THR HA H 1 4.063 0.00 . 1 . . . . A 24 THR HA . 34047 1 300 . 1 1 25 25 THR HB H 1 4.445 0.00 . 1 . . . . A 24 THR HB . 34047 1 301 . 1 1 25 25 THR HG21 H 1 0.971 0.00 . 1 . . . . A 24 THR HG21 . 34047 1 302 . 1 1 25 25 THR HG22 H 1 0.971 0.00 . 1 . . . . A 24 THR HG22 . 34047 1 303 . 1 1 25 25 THR HG23 H 1 0.971 0.00 . 1 . . . . A 24 THR HG23 . 34047 1 304 . 1 1 25 25 THR C C 13 174.466 0.00 . 1 . . . . A 24 THR C . 34047 1 305 . 1 1 25 25 THR CA C 13 62.392 0.00 . 1 . . . . A 24 THR CA . 34047 1 306 . 1 1 25 25 THR CB C 13 68.367 0.00 . 1 . . . . A 24 THR CB . 34047 1 307 . 1 1 25 25 THR CG2 C 13 20.387 0.00 . 1 . . . . A 24 THR CG2 . 34047 1 308 . 1 1 25 25 THR N N 15 117.721 0.00 . 1 . . . . A 24 THR N . 34047 1 309 . 1 1 26 26 VAL H H 1 8.314 0.00 . 1 . . . . A 25 VAL H . 34047 1 310 . 1 1 26 26 VAL HA H 1 2.824 0.00 . 1 . . . . A 25 VAL HA . 34047 1 311 . 1 1 26 26 VAL HB H 1 1.782 0.00 . 1 . . . . A 25 VAL HB . 34047 1 312 . 1 1 26 26 VAL HG11 H 1 0.755 0.00 . 2 . . . . A 25 VAL HG11 . 34047 1 313 . 1 1 26 26 VAL HG12 H 1 0.755 0.00 . 2 . . . . A 25 VAL HG12 . 34047 1 314 . 1 1 26 26 VAL HG13 H 1 0.755 0.00 . 2 . . . . A 25 VAL HG13 . 34047 1 315 . 1 1 26 26 VAL HG21 H 1 0.859 0.00 . 2 . . . . A 25 VAL HG21 . 34047 1 316 . 1 1 26 26 VAL HG22 H 1 0.859 0.00 . 2 . . . . A 25 VAL HG22 . 34047 1 317 . 1 1 26 26 VAL HG23 H 1 0.859 0.00 . 2 . . . . A 25 VAL HG23 . 34047 1 318 . 1 1 26 26 VAL C C 13 178.598 0.00 . 1 . . . . A 25 VAL C . 34047 1 319 . 1 1 26 26 VAL CA C 13 65.843 0.00 . 1 . . . . A 25 VAL CA . 34047 1 320 . 1 1 26 26 VAL CB C 13 30.831 0.00 . 1 . . . . A 25 VAL CB . 34047 1 321 . 1 1 26 26 VAL CG1 C 13 20.770 0.00 . 2 . . . . A 25 VAL CG1 . 34047 1 322 . 1 1 26 26 VAL CG2 C 13 21.070 0.00 . 2 . . . . A 25 VAL CG2 . 34047 1 323 . 1 1 26 26 VAL N N 15 129.638 0.00 . 1 . . . . A 25 VAL N . 34047 1 324 . 1 1 27 27 ALA H H 1 8.599 0.00 . 1 . . . . A 26 ALA H . 34047 1 325 . 1 1 27 27 ALA HA H 1 3.872 0.00 . 1 . . . . A 26 ALA HA . 34047 1 326 . 1 1 27 27 ALA HB1 H 1 1.132 0.00 . 1 . . . . A 26 ALA HB1 . 34047 1 327 . 1 1 27 27 ALA HB2 H 1 1.132 0.00 . 1 . . . . A 26 ALA HB2 . 34047 1 328 . 1 1 27 27 ALA HB3 H 1 1.132 0.00 . 1 . . . . A 26 ALA HB3 . 34047 1 329 . 1 1 27 27 ALA C C 13 178.131 0.00 . 1 . . . . A 26 ALA C . 34047 1 330 . 1 1 27 27 ALA CA C 13 54.494 0.00 . 1 . . . . A 26 ALA CA . 34047 1 331 . 1 1 27 27 ALA CB C 13 18.815 0.00 . 1 . . . . A 26 ALA CB . 34047 1 332 . 1 1 27 27 ALA N N 15 120.880 0.00 . 1 . . . . A 26 ALA N . 34047 1 333 . 1 1 28 28 ALA H H 1 7.390 0.00 . 1 . . . . A 27 ALA H . 34047 1 334 . 1 1 28 28 ALA HA H 1 3.959 0.00 . 1 . . . . A 27 ALA HA . 34047 1 335 . 1 1 28 28 ALA HB1 H 1 0.982 0.00 . 1 . . . . A 27 ALA HB1 . 34047 1 336 . 1 1 28 28 ALA HB2 H 1 0.982 0.00 . 1 . . . . A 27 ALA HB2 . 34047 1 337 . 1 1 28 28 ALA HB3 H 1 0.982 0.00 . 1 . . . . A 27 ALA HB3 . 34047 1 338 . 1 1 28 28 ALA C C 13 178.584 0.00 . 1 . . . . A 27 ALA C . 34047 1 339 . 1 1 28 28 ALA CA C 13 53.212 0.00 . 1 . . . . A 27 ALA CA . 34047 1 340 . 1 1 28 28 ALA CB C 13 18.331 0.00 . 1 . . . . A 27 ALA CB . 34047 1 341 . 1 1 28 28 ALA N N 15 114.352 0.00 . 1 . . . . A 27 ALA N . 34047 1 342 . 1 1 29 29 HIS H H 1 7.496 0.00 . 1 . . . . A 28 HIS H . 34047 1 343 . 1 1 29 29 HIS HA H 1 3.989 0.00 . 1 . . . . A 28 HIS HA . 34047 1 344 . 1 1 29 29 HIS HB2 H 1 2.972 0.00 . 2 . . . . A 28 HIS HB2 . 34047 1 345 . 1 1 29 29 HIS HB3 H 1 3.089 0.00 . 2 . . . . A 28 HIS HB3 . 34047 1 346 . 1 1 29 29 HIS HD2 H 1 7.177 0.00 . 1 . . . . A 28 HIS HD2 . 34047 1 347 . 1 1 29 29 HIS C C 13 176.137 0.00 . 1 . . . . A 28 HIS C . 34047 1 348 . 1 1 29 29 HIS CA C 13 58.358 0.00 . 1 . . . . A 28 HIS CA . 34047 1 349 . 1 1 29 29 HIS CB C 13 30.369 0.00 . 1 . . . . A 28 HIS CB . 34047 1 350 . 1 1 29 29 HIS N N 15 119.170 0.00 . 1 . . . . A 28 HIS N . 34047 1 351 . 1 1 30 30 LYS H H 1 7.160 0.00 . 1 . . . . A 29 LYS H . 34047 1 352 . 1 1 30 30 LYS HA H 1 3.683 0.00 . 1 . . . . A 29 LYS HA . 34047 1 353 . 1 1 30 30 LYS HB2 H 1 1.363 0.00 . 2 . . . . A 29 LYS HB2 . 34047 1 354 . 1 1 30 30 LYS HB3 H 1 1.115 0.00 . 2 . . . . A 29 LYS HB3 . 34047 1 355 . 1 1 30 30 LYS HG2 H 1 0.701 0.00 . 2 . . . . A 29 LYS HG2 . 34047 1 356 . 1 1 30 30 LYS HG3 H 1 0.292 0.00 . 2 . . . . A 29 LYS HG3 . 34047 1 357 . 1 1 30 30 LYS HD2 H 1 1.240 0.00 . 2 . . . . A 29 LYS HD2 . 34047 1 358 . 1 1 30 30 LYS HD3 H 1 1.179 0.00 . 2 . . . . A 29 LYS HD3 . 34047 1 359 . 1 1 30 30 LYS HE2 H 1 2.634 0.00 . 2 . . . . A 29 LYS HE2 . 34047 1 360 . 1 1 30 30 LYS HE3 H 1 2.589 0.00 . 2 . . . . A 29 LYS HE3 . 34047 1 361 . 1 1 30 30 LYS C C 13 176.083 0.00 . 1 . . . . A 29 LYS C . 34047 1 362 . 1 1 30 30 LYS CA C 13 57.719 0.00 . 1 . . . . A 29 LYS CA . 34047 1 363 . 1 1 30 30 LYS CB C 13 31.150 0.00 . 1 . . . . A 29 LYS CB . 34047 1 364 . 1 1 30 30 LYS CG C 13 22.610 0.00 . 1 . . . . A 29 LYS CG . 34047 1 365 . 1 1 30 30 LYS CD C 13 29.546 0.00 . 1 . . . . A 29 LYS CD . 34047 1 366 . 1 1 30 30 LYS CE C 13 41.410 0.00 . 1 . . . . A 29 LYS CE . 34047 1 367 . 1 1 30 30 LYS N N 15 113.390 0.00 . 1 . . . . A 29 LYS N . 34047 1 368 . 1 1 31 31 TYR H H 1 7.089 0.00 . 1 . . . . A 30 TYR H . 34047 1 369 . 1 1 31 31 TYR HA H 1 4.518 0.00 . 1 . . . . A 30 TYR HA . 34047 1 370 . 1 1 31 31 TYR HB2 H 1 3.058 0.00 . 2 . . . . A 30 TYR HB2 . 34047 1 371 . 1 1 31 31 TYR HB3 H 1 2.754 0.00 . 2 . . . . A 30 TYR HB3 . 34047 1 372 . 1 1 31 31 TYR HD1 H 1 7.054 0.00 . 1 . . . . A 30 TYR HD1 . 34047 1 373 . 1 1 31 31 TYR HD2 H 1 7.054 0.00 . 1 . . . . A 30 TYR HD2 . 34047 1 374 . 1 1 31 31 TYR HE1 H 1 6.677 0.00 . 1 . . . . A 30 TYR HE1 . 34047 1 375 . 1 1 31 31 TYR HE2 H 1 6.677 0.00 . 1 . . . . A 30 TYR HE2 . 34047 1 376 . 1 1 31 31 TYR C C 13 176.576 0.00 . 1 . . . . A 30 TYR C . 34047 1 377 . 1 1 31 31 TYR CA C 13 58.401 0.00 . 1 . . . . A 30 TYR CA . 34047 1 378 . 1 1 31 31 TYR CB C 13 40.332 0.00 . 1 . . . . A 30 TYR CB . 34047 1 379 . 1 1 31 31 TYR CD1 C 13 132.810 0.00 . 1 . . . . A 30 TYR CD1 . 34047 1 380 . 1 1 31 31 TYR CD2 C 13 132.810 0.00 . 1 . . . . A 30 TYR CD2 . 34047 1 381 . 1 1 31 31 TYR CE1 C 13 118.393 0.00 . 1 . . . . A 30 TYR CE1 . 34047 1 382 . 1 1 31 31 TYR CE2 C 13 118.393 0.00 . 1 . . . . A 30 TYR CE2 . 34047 1 383 . 1 1 31 31 TYR N N 15 116.357 0.00 . 1 . . . . A 30 TYR N . 34047 1 384 . 1 1 32 32 VAL H H 1 7.751 0.00 . 1 . . . . A 31 VAL H . 34047 1 385 . 1 1 32 32 VAL HA H 1 3.987 0.00 . 1 . . . . A 31 VAL HA . 34047 1 386 . 1 1 32 32 VAL HB H 1 2.188 0.00 . 1 . . . . A 31 VAL HB . 34047 1 387 . 1 1 32 32 VAL HG11 H 1 0.767 0.00 . 2 . . . . A 31 VAL HG11 . 34047 1 388 . 1 1 32 32 VAL HG12 H 1 0.767 0.00 . 2 . . . . A 31 VAL HG12 . 34047 1 389 . 1 1 32 32 VAL HG13 H 1 0.767 0.00 . 2 . . . . A 31 VAL HG13 . 34047 1 390 . 1 1 32 32 VAL HG21 H 1 0.912 0.00 . 2 . . . . A 31 VAL HG21 . 34047 1 391 . 1 1 32 32 VAL HG22 H 1 0.912 0.00 . 2 . . . . A 31 VAL HG22 . 34047 1 392 . 1 1 32 32 VAL HG23 H 1 0.912 0.00 . 2 . . . . A 31 VAL HG23 . 34047 1 393 . 1 1 32 32 VAL C C 13 172.594 0.00 . 1 . . . . A 31 VAL C . 34047 1 394 . 1 1 32 32 VAL CA C 13 58.990 0.00 . 1 . . . . A 31 VAL CA . 34047 1 395 . 1 1 32 32 VAL CB C 13 34.314 0.00 . 1 . . . . A 31 VAL CB . 34047 1 396 . 1 1 32 32 VAL CG1 C 13 22.860 0.00 . 2 . . . . A 31 VAL CG1 . 34047 1 397 . 1 1 32 32 VAL CG2 C 13 22.189 0.00 . 2 . . . . A 31 VAL CG2 . 34047 1 398 . 1 1 32 32 VAL N N 15 115.275 0.00 . 1 . . . . A 31 VAL N . 34047 1 399 . 1 1 33 33 PRO HA H 1 4.181 0.00 . 1 . . . . A 32 PRO HA . 34047 1 400 . 1 1 33 33 PRO HB2 H 1 1.660 0.00 . 2 . . . . A 32 PRO HB2 . 34047 1 401 . 1 1 33 33 PRO HB3 H 1 1.925 0.00 . 2 . . . . A 32 PRO HB3 . 34047 1 402 . 1 1 33 33 PRO HG2 H 1 1.558 0.00 . 2 . . . . A 32 PRO HG2 . 34047 1 403 . 1 1 33 33 PRO HG3 H 1 1.641 0.00 . 2 . . . . A 32 PRO HG3 . 34047 1 404 . 1 1 33 33 PRO HD2 H 1 2.230 0.00 . 2 . . . . A 32 PRO HD2 . 34047 1 405 . 1 1 33 33 PRO HD3 H 1 2.514 0.00 . 2 . . . . A 32 PRO HD3 . 34047 1 406 . 1 1 33 33 PRO C C 13 176.969 0.00 . 1 . . . . A 32 PRO C . 34047 1 407 . 1 1 33 33 PRO CA C 13 63.829 0.00 . 1 . . . . A 32 PRO CA . 34047 1 408 . 1 1 33 33 PRO CB C 13 32.556 0.00 . 1 . . . . A 32 PRO CB . 34047 1 409 . 1 1 33 33 PRO CG C 13 26.483 0.00 . 1 . . . . A 32 PRO CG . 34047 1 410 . 1 1 33 33 PRO CD C 13 49.630 0.00 . 1 . . . . A 32 PRO CD . 34047 1 411 . 1 1 34 34 SER H H 1 6.872 0.00 . 1 . . . . A 33 SER H . 34047 1 412 . 1 1 34 34 SER HA H 1 4.410 0.00 . 1 . . . . A 33 SER HA . 34047 1 413 . 1 1 34 34 SER HB2 H 1 3.910 0.00 . 2 . . . . A 33 SER HB2 . 34047 1 414 . 1 1 34 34 SER HB3 H 1 4.109 0.00 . 2 . . . . A 33 SER HB3 . 34047 1 415 . 1 1 34 34 SER C C 13 174.595 0.00 . 1 . . . . A 33 SER C . 34047 1 416 . 1 1 34 34 SER CA C 13 57.070 0.00 . 1 . . . . A 33 SER CA . 34047 1 417 . 1 1 34 34 SER CB C 13 65.745 0.00 . 1 . . . . A 33 SER CB . 34047 1 418 . 1 1 34 34 SER N N 15 106.323 0.00 . 1 . . . . A 33 SER N . 34047 1 419 . 1 1 35 35 TYR H H 1 8.530 0.00 . 1 . . . . A 34 TYR H . 34047 1 420 . 1 1 35 35 TYR HA H 1 4.064 0.00 . 1 . . . . A 34 TYR HA . 34047 1 421 . 1 1 35 35 TYR HB2 H 1 2.796 0.00 . 2 . . . . A 34 TYR HB2 . 34047 1 422 . 1 1 35 35 TYR HB3 H 1 2.668 0.00 . 2 . . . . A 34 TYR HB3 . 34047 1 423 . 1 1 35 35 TYR HD1 H 1 6.835 0.00 . 1 . . . . A 34 TYR HD1 . 34047 1 424 . 1 1 35 35 TYR HD2 H 1 6.835 0.00 . 1 . . . . A 34 TYR HD2 . 34047 1 425 . 1 1 35 35 TYR HE1 H 1 6.662 0.00 . 1 . . . . A 34 TYR HE1 . 34047 1 426 . 1 1 35 35 TYR HE2 H 1 6.662 0.00 . 1 . . . . A 34 TYR HE2 . 34047 1 427 . 1 1 35 35 TYR CA C 13 63.471 0.00 . 1 . . . . A 34 TYR CA . 34047 1 428 . 1 1 35 35 TYR CB C 13 38.686 0.00 . 1 . . . . A 34 TYR CB . 34047 1 429 . 1 1 35 35 TYR CD1 C 13 132.214 0.00 . 1 . . . . A 34 TYR CD1 . 34047 1 430 . 1 1 35 35 TYR CD2 C 13 132.214 0.00 . 1 . . . . A 34 TYR CD2 . 34047 1 431 . 1 1 35 35 TYR CE1 C 13 118.795 0.00 . 1 . . . . A 34 TYR CE1 . 34047 1 432 . 1 1 35 35 TYR CE2 C 13 118.795 0.00 . 1 . . . . A 34 TYR CE2 . 34047 1 433 . 1 1 35 35 TYR N N 15 118.796 0.00 . 1 . . . . A 34 TYR N . 34047 1 434 . 1 1 36 36 ALA HA H 1 3.959 0.00 . 1 . . . . A 35 ALA HA . 34047 1 435 . 1 1 36 36 ALA HB1 H 1 1.370 0.00 . 1 . . . . A 35 ALA HB1 . 34047 1 436 . 1 1 36 36 ALA HB2 H 1 1.370 0.00 . 1 . . . . A 35 ALA HB2 . 34047 1 437 . 1 1 36 36 ALA HB3 H 1 1.370 0.00 . 1 . . . . A 35 ALA HB3 . 34047 1 438 . 1 1 36 36 ALA C C 13 180.354 0.00 . 1 . . . . A 35 ALA C . 34047 1 439 . 1 1 36 36 ALA CA C 13 55.711 0.00 . 1 . . . . A 35 ALA CA . 34047 1 440 . 1 1 36 36 ALA CB C 13 17.948 0.00 . 1 . . . . A 35 ALA CB . 34047 1 441 . 1 1 37 37 PHE H H 1 8.071 0.00 . 1 . . . . A 36 PHE H . 34047 1 442 . 1 1 37 37 PHE HA H 1 4.049 0.00 . 1 . . . . A 36 PHE HA . 34047 1 443 . 1 1 37 37 PHE HB2 H 1 3.129 0.00 . 1 . . . . A 36 PHE HB2 . 34047 1 444 . 1 1 37 37 PHE HB3 H 1 3.129 0.00 . 1 . . . . A 36 PHE HB3 . 34047 1 445 . 1 1 37 37 PHE HD1 H 1 7.086 0.00 . 1 . . . . A 36 PHE HD1 . 34047 1 446 . 1 1 37 37 PHE HD2 H 1 7.086 0.00 . 1 . . . . A 36 PHE HD2 . 34047 1 447 . 1 1 37 37 PHE HE1 H 1 7.265 0.00 . 1 . . . . A 36 PHE HE1 . 34047 1 448 . 1 1 37 37 PHE HE2 H 1 7.265 0.00 . 1 . . . . A 36 PHE HE2 . 34047 1 449 . 1 1 37 37 PHE HZ H 1 7.318 0.00 . 1 . . . . A 36 PHE HZ . 34047 1 450 . 1 1 37 37 PHE C C 13 176.365 0.00 . 1 . . . . A 36 PHE C . 34047 1 451 . 1 1 37 37 PHE CA C 13 61.147 0.00 . 1 . . . . A 36 PHE CA . 34047 1 452 . 1 1 37 37 PHE CB C 13 39.297 0.00 . 1 . . . . A 36 PHE CB . 34047 1 453 . 1 1 37 37 PHE CD1 C 13 131.120 0.00 . 1 . . . . A 36 PHE CD1 . 34047 1 454 . 1 1 37 37 PHE CD2 C 13 131.120 0.00 . 1 . . . . A 36 PHE CD2 . 34047 1 455 . 1 1 37 37 PHE CE1 C 13 132.340 0.00 . 1 . . . . A 36 PHE CE1 . 34047 1 456 . 1 1 37 37 PHE CE2 C 13 132.340 0.00 . 1 . . . . A 36 PHE CE2 . 34047 1 457 . 1 1 37 37 PHE N N 15 120.176 0.00 . 1 . . . . A 36 PHE N . 34047 1 458 . 1 1 38 38 LEU H H 1 7.230 0.00 . 1 . . . . A 37 LEU H . 34047 1 459 . 1 1 38 38 LEU HA H 1 3.573 0.00 . 1 . . . . A 37 LEU HA . 34047 1 460 . 1 1 38 38 LEU HB2 H 1 1.987 0.00 . 2 . . . . A 37 LEU HB2 . 34047 1 461 . 1 1 38 38 LEU HB3 H 1 1.067 0.00 . 2 . . . . A 37 LEU HB3 . 34047 1 462 . 1 1 38 38 LEU HG H 1 1.552 0.00 . 1 . . . . A 37 LEU HG . 34047 1 463 . 1 1 38 38 LEU HD11 H 1 0.078 0.00 . 2 . . . . A 37 LEU HD11 . 34047 1 464 . 1 1 38 38 LEU HD12 H 1 0.078 0.00 . 2 . . . . A 37 LEU HD12 . 34047 1 465 . 1 1 38 38 LEU HD13 H 1 0.078 0.00 . 2 . . . . A 37 LEU HD13 . 34047 1 466 . 1 1 38 38 LEU HD21 H 1 0.379 0.00 . 2 . . . . A 37 LEU HD21 . 34047 1 467 . 1 1 38 38 LEU HD22 H 1 0.379 0.00 . 2 . . . . A 37 LEU HD22 . 34047 1 468 . 1 1 38 38 LEU HD23 H 1 0.379 0.00 . 2 . . . . A 37 LEU HD23 . 34047 1 469 . 1 1 38 38 LEU C C 13 177.997 0.00 . 1 . . . . A 37 LEU C . 34047 1 470 . 1 1 38 38 LEU CA C 13 57.639 0.00 . 1 . . . . A 37 LEU CA . 34047 1 471 . 1 1 38 38 LEU CB C 13 43.150 0.00 . 1 . . . . A 37 LEU CB . 34047 1 472 . 1 1 38 38 LEU CG C 13 25.327 0.00 . 1 . . . . A 37 LEU CG . 34047 1 473 . 1 1 38 38 LEU CD1 C 13 24.724 0.00 . 2 . . . . A 37 LEU CD1 . 34047 1 474 . 1 1 38 38 LEU CD2 C 13 22.925 0.00 . 2 . . . . A 37 LEU CD2 . 34047 1 475 . 1 1 38 38 LEU N N 15 118.213 0.00 . 1 . . . . A 37 LEU N . 34047 1 476 . 1 1 39 39 ARG H H 1 8.617 0.00 . 1 . . . . A 38 ARG H . 34047 1 477 . 1 1 39 39 ARG HA H 1 3.511 0.00 . 1 . . . . A 38 ARG HA . 34047 1 478 . 1 1 39 39 ARG HB2 H 1 1.766 0.00 . 2 . . . . A 38 ARG HB2 . 34047 1 479 . 1 1 39 39 ARG HB3 H 1 1.265 0.00 . 2 . . . . A 38 ARG HB3 . 34047 1 480 . 1 1 39 39 ARG HG2 H 1 1.633 0.00 . 1 . . . . A 38 ARG HG2 . 34047 1 481 . 1 1 39 39 ARG HG3 H 1 1.633 0.00 . 1 . . . . A 38 ARG HG3 . 34047 1 482 . 1 1 39 39 ARG HD2 H 1 3.028 0.00 . 1 . . . . A 38 ARG HD2 . 34047 1 483 . 1 1 39 39 ARG HD3 H 1 3.028 0.00 . 1 . . . . A 38 ARG HD3 . 34047 1 484 . 1 1 39 39 ARG C C 13 177.643 0.00 . 1 . . . . A 38 ARG C . 34047 1 485 . 1 1 39 39 ARG CA C 13 60.945 0.00 . 1 . . . . A 38 ARG CA . 34047 1 486 . 1 1 39 39 ARG CB C 13 30.215 0.00 . 1 . . . . A 38 ARG CB . 34047 1 487 . 1 1 39 39 ARG N N 15 117.203 0.00 . 1 . . . . A 38 ARG N . 34047 1 488 . 1 1 40 40 ARG H H 1 7.367 0.00 . 1 . . . . A 39 ARG H . 34047 1 489 . 1 1 40 40 ARG HA H 1 3.962 0.00 . 1 . . . . A 39 ARG HA . 34047 1 490 . 1 1 40 40 ARG HB2 H 1 1.730 0.00 . 1 . . . . A 39 ARG HB2 . 34047 1 491 . 1 1 40 40 ARG HB3 H 1 1.730 0.00 . 1 . . . . A 39 ARG HB3 . 34047 1 492 . 1 1 40 40 ARG HG2 H 1 1.575 0.00 . 2 . . . . A 39 ARG HG2 . 34047 1 493 . 1 1 40 40 ARG HG3 H 1 1.317 0.00 . 2 . . . . A 39 ARG HG3 . 34047 1 494 . 1 1 40 40 ARG HD2 H 1 3.085 0.00 . 1 . . . . A 39 ARG HD2 . 34047 1 495 . 1 1 40 40 ARG HD3 H 1 3.085 0.00 . 1 . . . . A 39 ARG HD3 . 34047 1 496 . 1 1 40 40 ARG C C 13 180.138 0.00 . 1 . . . . A 39 ARG C . 34047 1 497 . 1 1 40 40 ARG CA C 13 59.101 0.00 . 1 . . . . A 39 ARG CA . 34047 1 498 . 1 1 40 40 ARG CB C 13 30.200 0.00 . 1 . . . . A 39 ARG CB . 34047 1 499 . 1 1 40 40 ARG CG C 13 26.584 0.00 . 1 . . . . A 39 ARG CG . 34047 1 500 . 1 1 40 40 ARG CD C 13 43.143 0.00 . 1 . . . . A 39 ARG CD . 34047 1 501 . 1 1 40 40 ARG N N 15 116.574 0.00 . 1 . . . . A 39 ARG N . 34047 1 502 . 1 1 41 41 GLU H H 1 8.141 0.00 . 1 . . . . A 40 GLU H . 34047 1 503 . 1 1 41 41 GLU HA H 1 3.707 0.00 . 1 . . . . A 40 GLU HA . 34047 1 504 . 1 1 41 41 GLU HB2 H 1 1.251 0.00 . 2 . . . . A 40 GLU HB2 . 34047 1 505 . 1 1 41 41 GLU HB3 H 1 1.794 0.00 . 2 . . . . A 40 GLU HB3 . 34047 1 506 . 1 1 41 41 GLU C C 13 178.722 0.00 . 1 . . . . A 40 GLU C . 34047 1 507 . 1 1 41 41 GLU CA C 13 58.518 0.00 . 1 . . . . A 40 GLU CA . 34047 1 508 . 1 1 41 41 GLU CB C 13 29.427 0.00 . 1 . . . . A 40 GLU CB . 34047 1 509 . 1 1 41 41 GLU N N 15 118.018 0.00 . 1 . . . . A 40 GLU N . 34047 1 510 . 1 1 42 42 LEU H H 1 8.073 0.00 . 1 . . . . A 41 LEU H . 34047 1 511 . 1 1 42 42 LEU HA H 1 4.294 0.00 . 1 . . . . A 41 LEU HA . 34047 1 512 . 1 1 42 42 LEU HB2 H 1 1.379 0.00 . 2 . . . . A 41 LEU HB2 . 34047 1 513 . 1 1 42 42 LEU HB3 H 1 1.603 0.00 . 2 . . . . A 41 LEU HB3 . 34047 1 514 . 1 1 42 42 LEU HD11 H 1 0.689 0.00 . 2 . . . . A 41 LEU HD11 . 34047 1 515 . 1 1 42 42 LEU HD12 H 1 0.689 0.00 . 2 . . . . A 41 LEU HD12 . 34047 1 516 . 1 1 42 42 LEU HD13 H 1 0.689 0.00 . 2 . . . . A 41 LEU HD13 . 34047 1 517 . 1 1 42 42 LEU HD21 H 1 0.759 0.00 . 2 . . . . A 41 LEU HD21 . 34047 1 518 . 1 1 42 42 LEU HD22 H 1 0.759 0.00 . 2 . . . . A 41 LEU HD22 . 34047 1 519 . 1 1 42 42 LEU HD23 H 1 0.759 0.00 . 2 . . . . A 41 LEU HD23 . 34047 1 520 . 1 1 42 42 LEU C C 13 176.960 0.00 . 1 . . . . A 41 LEU C . 34047 1 521 . 1 1 42 42 LEU CA C 13 54.461 0.00 . 1 . . . . A 41 LEU CA . 34047 1 522 . 1 1 42 42 LEU CB C 13 41.613 0.00 . 1 . . . . A 41 LEU CB . 34047 1 523 . 1 1 42 42 LEU CD1 C 13 26.796 0.00 . 2 . . . . A 41 LEU CD1 . 34047 1 524 . 1 1 42 42 LEU CD2 C 13 22.230 0.00 . 2 . . . . A 41 LEU CD2 . 34047 1 525 . 1 1 42 42 LEU N N 15 115.796 0.00 . 1 . . . . A 41 LEU N . 34047 1 526 . 1 1 43 43 GLY H H 1 7.426 0.00 . 1 . . . . A 42 GLY H . 34047 1 527 . 1 1 43 43 GLY HA2 H 1 3.760 0.00 . 1 . . . . A 42 GLY HA2 . 34047 1 528 . 1 1 43 43 GLY HA3 H 1 3.760 0.00 . 1 . . . . A 42 GLY HA3 . 34047 1 529 . 1 1 43 43 GLY C C 13 174.759 0.00 . 1 . . . . A 42 GLY C . 34047 1 530 . 1 1 43 43 GLY CA C 13 46.737 0.00 . 1 . . . . A 42 GLY CA . 34047 1 531 . 1 1 43 43 GLY N N 15 109.061 0.00 . 1 . . . . A 42 GLY N . 34047 1 532 . 1 1 44 44 LEU H H 1 8.065 0.00 . 1 . . . . A 43 LEU H . 34047 1 533 . 1 1 44 44 LEU HA H 1 4.394 0.00 . 1 . . . . A 43 LEU HA . 34047 1 534 . 1 1 44 44 LEU HB2 H 1 1.090 0.00 . 2 . . . . A 43 LEU HB2 . 34047 1 535 . 1 1 44 44 LEU HB3 H 1 1.401 0.00 . 2 . . . . A 43 LEU HB3 . 34047 1 536 . 1 1 44 44 LEU HG H 1 1.257 0.00 . 1 . . . . A 43 LEU HG . 34047 1 537 . 1 1 44 44 LEU HD11 H 1 0.634 0.00 . 2 . . . . A 43 LEU HD11 . 34047 1 538 . 1 1 44 44 LEU HD12 H 1 0.634 0.00 . 2 . . . . A 43 LEU HD12 . 34047 1 539 . 1 1 44 44 LEU HD13 H 1 0.634 0.00 . 2 . . . . A 43 LEU HD13 . 34047 1 540 . 1 1 44 44 LEU HD21 H 1 0.238 0.00 . 2 . . . . A 43 LEU HD21 . 34047 1 541 . 1 1 44 44 LEU HD22 H 1 0.238 0.00 . 2 . . . . A 43 LEU HD22 . 34047 1 542 . 1 1 44 44 LEU HD23 H 1 0.238 0.00 . 2 . . . . A 43 LEU HD23 . 34047 1 543 . 1 1 44 44 LEU C C 13 175.639 0.00 . 1 . . . . A 43 LEU C . 34047 1 544 . 1 1 44 44 LEU CA C 13 52.960 0.00 . 1 . . . . A 43 LEU CA . 34047 1 545 . 1 1 44 44 LEU CB C 13 42.849 0.00 . 1 . . . . A 43 LEU CB . 34047 1 546 . 1 1 44 44 LEU CG C 13 26.567 0.00 . 1 . . . . A 43 LEU CG . 34047 1 547 . 1 1 44 44 LEU CD1 C 13 21.101 0.00 . 2 . . . . A 43 LEU CD1 . 34047 1 548 . 1 1 44 44 LEU CD2 C 13 27.892 0.00 . 2 . . . . A 43 LEU CD2 . 34047 1 549 . 1 1 44 44 LEU N N 15 119.084 0.00 . 1 . . . . A 43 LEU N . 34047 1 550 . 1 1 45 45 SER H H 1 8.808 0.00 . 1 . . . . A 44 SER H . 34047 1 551 . 1 1 45 45 SER HA H 1 4.617 0.00 . 1 . . . . A 44 SER HA . 34047 1 552 . 1 1 45 45 SER HB2 H 1 3.844 0.00 . 2 . . . . A 44 SER HB2 . 34047 1 553 . 1 1 45 45 SER HB3 H 1 4.186 0.00 . 2 . . . . A 44 SER HB3 . 34047 1 554 . 1 1 45 45 SER CA C 13 57.492 0.00 . 1 . . . . A 44 SER CA . 34047 1 555 . 1 1 45 45 SER CB C 13 65.594 0.00 . 1 . . . . A 44 SER CB . 34047 1 556 . 1 1 46 46 SER HA H 1 3.965 0.00 . 1 . . . . A 45 SER HA . 34047 1 557 . 1 1 46 46 SER HB2 H 1 3.822 0.00 . 2 . . . . A 45 SER HB2 . 34047 1 558 . 1 1 46 46 SER HB3 H 1 3.850 0.00 . 2 . . . . A 45 SER HB3 . 34047 1 559 . 1 1 46 46 SER CA C 13 60.690 0.00 . 1 . . . . A 45 SER CA . 34047 1 560 . 1 1 46 46 SER CB C 13 62.700 0.00 . 1 . . . . A 45 SER CB . 34047 1 561 . 1 1 46 46 SER N N 15 118.288 0.00 . 1 . . . . A 45 SER N . 34047 1 562 . 1 1 47 47 ALA H H 1 7.778 0.00 . 1 . . . . A 46 ALA H . 34047 1 563 . 1 1 47 47 ALA HA H 1 4.032 0.00 . 1 . . . . A 46 ALA HA . 34047 1 564 . 1 1 47 47 ALA HB1 H 1 1.079 0.00 . 1 . . . . A 46 ALA HB1 . 34047 1 565 . 1 1 47 47 ALA HB2 H 1 1.079 0.00 . 1 . . . . A 46 ALA HB2 . 34047 1 566 . 1 1 47 47 ALA HB3 H 1 1.079 0.00 . 1 . . . . A 46 ALA HB3 . 34047 1 567 . 1 1 47 47 ALA C C 13 178.431 0.00 . 1 . . . . A 46 ALA C . 34047 1 568 . 1 1 47 47 ALA CA C 13 52.765 0.00 . 1 . . . . A 46 ALA CA . 34047 1 569 . 1 1 47 47 ALA CB C 13 18.561 0.00 . 1 . . . . A 46 ALA CB . 34047 1 570 . 1 1 47 47 ALA N N 15 122.132 0.00 . 1 . . . . A 46 ALA N . 34047 1 571 . 1 1 48 48 HIS H H 1 7.514 0.00 . 1 . . . . A 47 HIS H . 34047 1 572 . 1 1 48 48 HIS HA H 1 4.376 0.00 . 1 . . . . A 47 HIS HA . 34047 1 573 . 1 1 48 48 HIS HB2 H 1 2.846 0.00 . 2 . . . . A 47 HIS HB2 . 34047 1 574 . 1 1 48 48 HIS HB3 H 1 3.060 0.00 . 2 . . . . A 47 HIS HB3 . 34047 1 575 . 1 1 48 48 HIS C C 13 175.617 0.00 . 1 . . . . A 47 HIS C . 34047 1 576 . 1 1 48 48 HIS CA C 13 57.409 0.00 . 1 . . . . A 47 HIS CA . 34047 1 577 . 1 1 48 48 HIS CB C 13 31.003 0.00 . 1 . . . . A 47 HIS CB . 34047 1 578 . 1 1 48 48 HIS N N 15 118.365 0.00 . 1 . . . . A 47 HIS N . 34047 1 579 . 1 1 49 49 THR H H 1 7.962 0.00 . 1 . . . . A 48 THR H . 34047 1 580 . 1 1 49 49 THR HA H 1 4.105 0.00 . 1 . . . . A 48 THR HA . 34047 1 581 . 1 1 49 49 THR HB H 1 4.569 0.00 . 1 . . . . A 48 THR HB . 34047 1 582 . 1 1 49 49 THR HG21 H 1 1.286 0.00 . 1 . . . . A 48 THR HG21 . 34047 1 583 . 1 1 49 49 THR HG22 H 1 1.286 0.00 . 1 . . . . A 48 THR HG22 . 34047 1 584 . 1 1 49 49 THR HG23 H 1 1.286 0.00 . 1 . . . . A 48 THR HG23 . 34047 1 585 . 1 1 49 49 THR CA C 13 60.757 0.00 . 1 . . . . A 48 THR CA . 34047 1 586 . 1 1 49 49 THR CB C 13 70.478 0.00 . 1 . . . . A 48 THR CB . 34047 1 587 . 1 1 49 49 THR CG2 C 13 21.810 0.00 . 1 . . . . A 48 THR CG2 . 34047 1 588 . 1 1 49 49 THR N N 15 116.030 0.00 . 1 . . . . A 48 THR N . 34047 1 589 . 1 1 50 50 ASN HB2 H 1 2.582 0.00 . 2 . . . . A 49 ASN HB2 . 34047 1 590 . 1 1 50 50 ASN HB3 H 1 2.738 0.00 . 2 . . . . A 49 ASN HB3 . 34047 1 591 . 1 1 50 50 ASN HD21 H 1 6.967 0.00 . 1 . . . . A 49 ASN HD21 . 34047 1 592 . 1 1 50 50 ASN HD22 H 1 6.496 0.00 . 1 . . . . A 49 ASN HD22 . 34047 1 593 . 1 1 50 50 ASN ND2 N 15 110.070 0.00 . 1 . . . . A 49 ASN ND2 . 34047 1 594 . 1 1 51 51 ARG HA H 1 4.227 0.00 . 1 . . . . A 50 ARG HA . 34047 1 595 . 1 1 51 51 ARG HB2 H 1 1.762 0.00 . 1 . . . . A 50 ARG HB2 . 34047 1 596 . 1 1 51 51 ARG HB3 H 1 1.762 0.00 . 1 . . . . A 50 ARG HB3 . 34047 1 597 . 1 1 51 51 ARG HG2 H 1 1.627 0.00 . 1 . . . . A 50 ARG HG2 . 34047 1 598 . 1 1 51 51 ARG HG3 H 1 1.627 0.00 . 1 . . . . A 50 ARG HG3 . 34047 1 599 . 1 1 51 51 ARG HD2 H 1 3.176 0.00 . 2 . . . . A 50 ARG HD2 . 34047 1 600 . 1 1 51 51 ARG HD3 H 1 3.102 0.00 . 2 . . . . A 50 ARG HD3 . 34047 1 601 . 1 1 51 51 ARG C C 13 178.903 0.00 . 1 . . . . A 50 ARG C . 34047 1 602 . 1 1 51 51 ARG CA C 13 59.238 0.00 . 1 . . . . A 50 ARG CA . 34047 1 603 . 1 1 51 51 ARG CB C 13 29.849 0.00 . 1 . . . . A 50 ARG CB . 34047 1 604 . 1 1 51 51 ARG CG C 13 26.940 0.00 . 1 . . . . A 50 ARG CG . 34047 1 605 . 1 1 51 51 ARG CD C 13 42.820 0.00 . 1 . . . . A 50 ARG CD . 34047 1 606 . 1 1 52 52 LYS H H 1 7.479 0.00 . 1 . . . . A 51 LYS H . 34047 1 607 . 1 1 52 52 LYS HA H 1 4.032 0.00 . 1 . . . . A 51 LYS HA . 34047 1 608 . 1 1 52 52 LYS HB2 H 1 1.965 0.00 . 2 . . . . A 51 LYS HB2 . 34047 1 609 . 1 1 52 52 LYS HB3 H 1 1.681 0.00 . 2 . . . . A 51 LYS HB3 . 34047 1 610 . 1 1 52 52 LYS HG2 H 1 1.458 0.00 . 1 . . . . A 51 LYS HG2 . 34047 1 611 . 1 1 52 52 LYS HG3 H 1 1.458 0.00 . 1 . . . . A 51 LYS HG3 . 34047 1 612 . 1 1 52 52 LYS HD2 H 1 1.623 0.00 . 1 . . . . A 51 LYS HD2 . 34047 1 613 . 1 1 52 52 LYS HD3 H 1 1.623 0.00 . 1 . . . . A 51 LYS HD3 . 34047 1 614 . 1 1 52 52 LYS HE2 H 1 2.856 0.00 . 1 . . . . A 51 LYS HE2 . 34047 1 615 . 1 1 52 52 LYS HE3 H 1 2.856 0.00 . 1 . . . . A 51 LYS HE3 . 34047 1 616 . 1 1 52 52 LYS C C 13 179.205 0.00 . 1 . . . . A 51 LYS C . 34047 1 617 . 1 1 52 52 LYS CA C 13 59.219 0.00 . 1 . . . . A 51 LYS CA . 34047 1 618 . 1 1 52 52 LYS CB C 13 32.322 0.00 . 1 . . . . A 51 LYS CB . 34047 1 619 . 1 1 52 52 LYS CG C 13 25.502 0.00 . 1 . . . . A 51 LYS CG . 34047 1 620 . 1 1 52 52 LYS CD C 13 29.305 0.00 . 1 . . . . A 51 LYS CD . 34047 1 621 . 1 1 52 52 LYS CE C 13 41.782 0.00 . 1 . . . . A 51 LYS CE . 34047 1 622 . 1 1 52 52 LYS N N 15 120.949 0.00 . 1 . . . . A 51 LYS N . 34047 1 623 . 1 1 53 53 VAL H H 1 8.455 0.00 . 1 . . . . A 52 VAL H . 34047 1 624 . 1 1 53 53 VAL HA H 1 3.316 0.00 . 1 . . . . A 52 VAL HA . 34047 1 625 . 1 1 53 53 VAL HB H 1 2.474 0.00 . 1 . . . . A 52 VAL HB . 34047 1 626 . 1 1 53 53 VAL HG11 H 1 0.929 0.00 . 2 . . . . A 52 VAL HG11 . 34047 1 627 . 1 1 53 53 VAL HG12 H 1 0.929 0.00 . 2 . . . . A 52 VAL HG12 . 34047 1 628 . 1 1 53 53 VAL HG13 H 1 0.929 0.00 . 2 . . . . A 52 VAL HG13 . 34047 1 629 . 1 1 53 53 VAL HG21 H 1 0.956 0.00 . 2 . . . . A 52 VAL HG21 . 34047 1 630 . 1 1 53 53 VAL HG22 H 1 0.956 0.00 . 2 . . . . A 52 VAL HG22 . 34047 1 631 . 1 1 53 53 VAL HG23 H 1 0.956 0.00 . 2 . . . . A 52 VAL HG23 . 34047 1 632 . 1 1 53 53 VAL C C 13 177.306 0.00 . 1 . . . . A 52 VAL C . 34047 1 633 . 1 1 53 53 VAL CA C 13 66.473 0.00 . 1 . . . . A 52 VAL CA . 34047 1 634 . 1 1 53 53 VAL CB C 13 31.471 0.00 . 1 . . . . A 52 VAL CB . 34047 1 635 . 1 1 53 53 VAL CG1 C 13 23.386 0.00 . 2 . . . . A 52 VAL CG1 . 34047 1 636 . 1 1 53 53 VAL CG2 C 13 23.281 0.00 . 2 . . . . A 52 VAL CG2 . 34047 1 637 . 1 1 53 53 VAL N N 15 120.807 0.00 . 1 . . . . A 52 VAL N . 34047 1 638 . 1 1 54 54 TRP H H 1 8.903 0.00 . 1 . . . . A 53 TRP H . 34047 1 639 . 1 1 54 54 TRP HA H 1 4.289 0.00 . 1 . . . . A 53 TRP HA . 34047 1 640 . 1 1 54 54 TRP HB2 H 1 3.435 0.00 . 2 . . . . A 53 TRP HB2 . 34047 1 641 . 1 1 54 54 TRP HB3 H 1 3.755 0.00 . 2 . . . . A 53 TRP HB3 . 34047 1 642 . 1 1 54 54 TRP HD1 H 1 7.085 0.00 . 1 . . . . A 53 TRP HD1 . 34047 1 643 . 1 1 54 54 TRP HE1 H 1 9.998 0.00 . 1 . . . . A 53 TRP HE1 . 34047 1 644 . 1 1 54 54 TRP HE3 H 1 7.145 0.00 . 1 . . . . A 53 TRP HE3 . 34047 1 645 . 1 1 54 54 TRP HZ2 H 1 7.213 0.00 . 1 . . . . A 53 TRP HZ2 . 34047 1 646 . 1 1 54 54 TRP HZ3 H 1 5.752 0.00 . 1 . . . . A 53 TRP HZ3 . 34047 1 647 . 1 1 54 54 TRP HH2 H 1 5.562 0.00 . 1 . . . . A 53 TRP HH2 . 34047 1 648 . 1 1 54 54 TRP C C 13 176.891 0.00 . 1 . . . . A 53 TRP C . 34047 1 649 . 1 1 54 54 TRP CA C 13 60.497 0.00 . 1 . . . . A 53 TRP CA . 34047 1 650 . 1 1 54 54 TRP CB C 13 29.620 0.00 . 1 . . . . A 53 TRP CB . 34047 1 651 . 1 1 54 54 TRP CD1 C 13 126.147 0.00 . 1 . . . . A 53 TRP CD1 . 34047 1 652 . 1 1 54 54 TRP CE3 C 13 119.198 0.00 . 1 . . . . A 53 TRP CE3 . 34047 1 653 . 1 1 54 54 TRP CZ2 C 13 114.726 0.00 . 1 . . . . A 53 TRP CZ2 . 34047 1 654 . 1 1 54 54 TRP CZ3 C 13 121.803 0.00 . 1 . . . . A 53 TRP CZ3 . 34047 1 655 . 1 1 54 54 TRP CH2 C 13 123.454 0.00 . 1 . . . . A 53 TRP CH2 . 34047 1 656 . 1 1 54 54 TRP N N 15 119.118 0.00 . 1 . . . . A 53 TRP N . 34047 1 657 . 1 1 54 54 TRP NE1 N 15 129.383 0.00 . 1 . . . . A 53 TRP NE1 . 34047 1 658 . 1 1 55 55 LYS H H 1 7.875 0.00 . 1 . . . . A 54 LYS H . 34047 1 659 . 1 1 55 55 LYS HA H 1 3.710 0.00 . 1 . . . . A 54 LYS HA . 34047 1 660 . 1 1 55 55 LYS HB2 H 1 1.902 0.00 . 2 . . . . A 54 LYS HB2 . 34047 1 661 . 1 1 55 55 LYS HB3 H 1 1.866 0.00 . 2 . . . . A 54 LYS HB3 . 34047 1 662 . 1 1 55 55 LYS HG2 H 1 1.615 0.00 . 2 . . . . A 54 LYS HG2 . 34047 1 663 . 1 1 55 55 LYS HG3 H 1 1.397 0.00 . 2 . . . . A 54 LYS HG3 . 34047 1 664 . 1 1 55 55 LYS HD2 H 1 1.618 0.00 . 1 . . . . A 54 LYS HD2 . 34047 1 665 . 1 1 55 55 LYS HD3 H 1 1.618 0.00 . 1 . . . . A 54 LYS HD3 . 34047 1 666 . 1 1 55 55 LYS HE2 H 1 2.898 0.00 . 1 . . . . A 54 LYS HE2 . 34047 1 667 . 1 1 55 55 LYS HE3 H 1 2.898 0.00 . 1 . . . . A 54 LYS HE3 . 34047 1 668 . 1 1 55 55 LYS C C 13 179.749 0.00 . 1 . . . . A 54 LYS C . 34047 1 669 . 1 1 55 55 LYS CA C 13 60.330 0.00 . 1 . . . . A 54 LYS CA . 34047 1 670 . 1 1 55 55 LYS CB C 13 32.489 0.00 . 1 . . . . A 54 LYS CB . 34047 1 671 . 1 1 55 55 LYS CG C 13 25.543 0.00 . 1 . . . . A 54 LYS CG . 34047 1 672 . 1 1 55 55 LYS CD C 13 29.559 0.00 . 1 . . . . A 54 LYS CD . 34047 1 673 . 1 1 55 55 LYS CE C 13 41.963 0.00 . 1 . . . . A 54 LYS CE . 34047 1 674 . 1 1 55 55 LYS N N 15 116.097 0.00 . 1 . . . . A 54 LYS N . 34047 1 675 . 1 1 56 56 LYS H H 1 7.771 0.00 . 1 . . . . A 55 LYS H . 34047 1 676 . 1 1 56 56 LYS HA H 1 4.016 0.00 . 1 . . . . A 55 LYS HA . 34047 1 677 . 1 1 56 56 LYS HB2 H 1 1.789 0.00 . 2 . . . . A 55 LYS HB2 . 34047 1 678 . 1 1 56 56 LYS HB3 H 1 1.929 0.00 . 2 . . . . A 55 LYS HB3 . 34047 1 679 . 1 1 56 56 LYS HG2 H 1 1.393 0.00 . 1 . . . . A 55 LYS HG2 . 34047 1 680 . 1 1 56 56 LYS HG3 H 1 1.393 0.00 . 1 . . . . A 55 LYS HG3 . 34047 1 681 . 1 1 56 56 LYS HD2 H 1 1.619 0.00 . 1 . . . . A 55 LYS HD2 . 34047 1 682 . 1 1 56 56 LYS HD3 H 1 1.619 0.00 . 1 . . . . A 55 LYS HD3 . 34047 1 683 . 1 1 56 56 LYS HE2 H 1 2.835 0.00 . 1 . . . . A 55 LYS HE2 . 34047 1 684 . 1 1 56 56 LYS HE3 H 1 2.835 0.00 . 1 . . . . A 55 LYS HE3 . 34047 1 685 . 1 1 56 56 LYS C C 13 178.921 0.00 . 1 . . . . A 55 LYS C . 34047 1 686 . 1 1 56 56 LYS CA C 13 57.843 0.00 . 1 . . . . A 55 LYS CA . 34047 1 687 . 1 1 56 56 LYS CB C 13 31.331 0.00 . 1 . . . . A 55 LYS CB . 34047 1 688 . 1 1 56 56 LYS CG C 13 24.900 0.00 . 1 . . . . A 55 LYS CG . 34047 1 689 . 1 1 56 56 LYS CD C 13 27.753 0.00 . 1 . . . . A 55 LYS CD . 34047 1 690 . 1 1 56 56 LYS CE C 13 41.858 0.00 . 1 . . . . A 55 LYS CE . 34047 1 691 . 1 1 56 56 LYS N N 15 118.655 0.00 . 1 . . . . A 55 LYS N . 34047 1 692 . 1 1 57 57 PHE H H 1 8.303 0.00 . 1 . . . . A 56 PHE H . 34047 1 693 . 1 1 57 57 PHE HA H 1 4.296 0.00 . 1 . . . . A 56 PHE HA . 34047 1 694 . 1 1 57 57 PHE HB2 H 1 2.725 0.00 . 1 . . . . A 56 PHE HB2 . 34047 1 695 . 1 1 57 57 PHE HB3 H 1 2.725 0.00 . 1 . . . . A 56 PHE HB3 . 34047 1 696 . 1 1 57 57 PHE HD1 H 1 6.235 0.00 . 1 . . . . A 56 PHE HD1 . 34047 1 697 . 1 1 57 57 PHE HD2 H 1 6.235 0.00 . 1 . . . . A 56 PHE HD2 . 34047 1 698 . 1 1 57 57 PHE HE1 H 1 6.401 0.00 . 1 . . . . A 56 PHE HE1 . 34047 1 699 . 1 1 57 57 PHE HE2 H 1 6.401 0.00 . 1 . . . . A 56 PHE HE2 . 34047 1 700 . 1 1 57 57 PHE HZ H 1 6.737 0.00 . 1 . . . . A 56 PHE HZ . 34047 1 701 . 1 1 57 57 PHE C C 13 175.605 0.00 . 1 . . . . A 56 PHE C . 34047 1 702 . 1 1 57 57 PHE CA C 13 59.081 0.00 . 1 . . . . A 56 PHE CA . 34047 1 703 . 1 1 57 57 PHE CB C 13 38.628 0.00 . 1 . . . . A 56 PHE CB . 34047 1 704 . 1 1 57 57 PHE CD1 C 13 131.829 0.00 . 1 . . . . A 56 PHE CD1 . 34047 1 705 . 1 1 57 57 PHE CD2 C 13 131.829 0.00 . 1 . . . . A 56 PHE CD2 . 34047 1 706 . 1 1 57 57 PHE CE1 C 13 130.178 0.00 . 1 . . . . A 56 PHE CE1 . 34047 1 707 . 1 1 57 57 PHE CE2 C 13 130.178 0.00 . 1 . . . . A 56 PHE CE2 . 34047 1 708 . 1 1 57 57 PHE CZ C 13 127.936 0.00 . 1 . . . . A 56 PHE CZ . 34047 1 709 . 1 1 57 57 PHE N N 15 123.526 0.00 . 1 . . . . A 56 PHE N . 34047 1 710 . 1 1 58 58 VAL H H 1 8.256 0.00 . 1 . . . . A 57 VAL H . 34047 1 711 . 1 1 58 58 VAL HA H 1 2.627 0.00 . 1 . . . . A 57 VAL HA . 34047 1 712 . 1 1 58 58 VAL HB H 1 1.682 0.00 . 1 . . . . A 57 VAL HB . 34047 1 713 . 1 1 58 58 VAL HG11 H 1 0.607 0.00 . 2 . . . . A 57 VAL HG11 . 34047 1 714 . 1 1 58 58 VAL HG12 H 1 0.607 0.00 . 2 . . . . A 57 VAL HG12 . 34047 1 715 . 1 1 58 58 VAL HG13 H 1 0.607 0.00 . 2 . . . . A 57 VAL HG13 . 34047 1 716 . 1 1 58 58 VAL HG21 H 1 0.133 0.00 . 2 . . . . A 57 VAL HG21 . 34047 1 717 . 1 1 58 58 VAL HG22 H 1 0.133 0.00 . 2 . . . . A 57 VAL HG22 . 34047 1 718 . 1 1 58 58 VAL HG23 H 1 0.133 0.00 . 2 . . . . A 57 VAL HG23 . 34047 1 719 . 1 1 58 58 VAL C C 13 179.594 0.00 . 1 . . . . A 57 VAL C . 34047 1 720 . 1 1 58 58 VAL CA C 13 66.323 0.00 . 1 . . . . A 57 VAL CA . 34047 1 721 . 1 1 58 58 VAL CB C 13 31.477 0.00 . 1 . . . . A 57 VAL CB . 34047 1 722 . 1 1 58 58 VAL CG1 C 13 22.278 0.00 . 2 . . . . A 57 VAL CG1 . 34047 1 723 . 1 1 58 58 VAL CG2 C 13 21.092 0.00 . 2 . . . . A 57 VAL CG2 . 34047 1 724 . 1 1 58 58 VAL N N 15 120.167 0.00 . 1 . . . . A 57 VAL N . 34047 1 725 . 1 1 59 59 GLU H H 1 7.486 0.00 . 1 . . . . A 58 GLU H . 34047 1 726 . 1 1 59 59 GLU HA H 1 3.806 0.00 . 1 . . . . A 58 GLU HA . 34047 1 727 . 1 1 59 59 GLU HB2 H 1 1.963 0.00 . 1 . . . . A 58 GLU HB2 . 34047 1 728 . 1 1 59 59 GLU HB3 H 1 1.963 0.00 . 1 . . . . A 58 GLU HB3 . 34047 1 729 . 1 1 59 59 GLU HG2 H 1 1.969 0.00 . 2 . . . . A 58 GLU HG2 . 34047 1 730 . 1 1 59 59 GLU HG3 H 1 2.247 0.00 . 2 . . . . A 58 GLU HG3 . 34047 1 731 . 1 1 59 59 GLU C C 13 178.826 0.00 . 1 . . . . A 58 GLU C . 34047 1 732 . 1 1 59 59 GLU CA C 13 58.902 0.00 . 1 . . . . A 58 GLU CA . 34047 1 733 . 1 1 59 59 GLU CB C 13 29.724 0.00 . 1 . . . . A 58 GLU CB . 34047 1 734 . 1 1 59 59 GLU CG C 13 36.329 0.00 . 1 . . . . A 58 GLU CG . 34047 1 735 . 1 1 59 59 GLU N N 15 119.595 0.00 . 1 . . . . A 58 GLU N . 34047 1 736 . 1 1 60 60 ALA H H 1 7.956 0.00 . 1 . . . . A 59 ALA H . 34047 1 737 . 1 1 60 60 ALA HA H 1 3.728 0.00 . 1 . . . . A 59 ALA HA . 34047 1 738 . 1 1 60 60 ALA HB1 H 1 1.449 0.00 . 1 . . . . A 59 ALA HB1 . 34047 1 739 . 1 1 60 60 ALA HB2 H 1 1.449 0.00 . 1 . . . . A 59 ALA HB2 . 34047 1 740 . 1 1 60 60 ALA HB3 H 1 1.449 0.00 . 1 . . . . A 59 ALA HB3 . 34047 1 741 . 1 1 60 60 ALA C C 13 179.991 0.00 . 1 . . . . A 59 ALA C . 34047 1 742 . 1 1 60 60 ALA CA C 13 55.440 0.00 . 1 . . . . A 59 ALA CA . 34047 1 743 . 1 1 60 60 ALA CB C 13 18.098 0.00 . 1 . . . . A 59 ALA CB . 34047 1 744 . 1 1 60 60 ALA N N 15 124.028 0.00 . 1 . . . . A 59 ALA N . 34047 1 745 . 1 1 61 61 TYR H H 1 8.907 0.00 . 1 . . . . A 60 TYR H . 34047 1 746 . 1 1 61 61 TYR HA H 1 3.409 0.00 . 1 . . . . A 60 TYR HA . 34047 1 747 . 1 1 61 61 TYR HB2 H 1 2.574 0.00 . 2 . . . . A 60 TYR HB2 . 34047 1 748 . 1 1 61 61 TYR HB3 H 1 2.069 0.00 . 2 . . . . A 60 TYR HB3 . 34047 1 749 . 1 1 61 61 TYR HD1 H 1 6.663 0.00 . 1 . . . . A 60 TYR HD1 . 34047 1 750 . 1 1 61 61 TYR HD2 H 1 6.663 0.00 . 1 . . . . A 60 TYR HD2 . 34047 1 751 . 1 1 61 61 TYR HE1 H 1 6.555 0.00 . 1 . . . . A 60 TYR HE1 . 34047 1 752 . 1 1 61 61 TYR HE2 H 1 6.555 0.00 . 1 . . . . A 60 TYR HE2 . 34047 1 753 . 1 1 61 61 TYR C C 13 178.515 0.00 . 1 . . . . A 60 TYR C . 34047 1 754 . 1 1 61 61 TYR CA C 13 61.107 0.00 . 1 . . . . A 60 TYR CA . 34047 1 755 . 1 1 61 61 TYR CB C 13 38.761 0.00 . 1 . . . . A 60 TYR CB . 34047 1 756 . 1 1 61 61 TYR CD1 C 13 133.499 0.00 . 1 . . . . A 60 TYR CD1 . 34047 1 757 . 1 1 61 61 TYR CD2 C 13 133.499 0.00 . 1 . . . . A 60 TYR CD2 . 34047 1 758 . 1 1 61 61 TYR CE1 C 13 117.658 0.00 . 1 . . . . A 60 TYR CE1 . 34047 1 759 . 1 1 61 61 TYR CE2 C 13 117.658 0.00 . 1 . . . . A 60 TYR CE2 . 34047 1 760 . 1 1 61 61 TYR N N 15 120.712 0.00 . 1 . . . . A 60 TYR N . 34047 1 761 . 1 1 62 62 GLY H H 1 7.592 0.00 . 1 . . . . A 61 GLY H . 34047 1 762 . 1 1 62 62 GLY HA2 H 1 3.795 0.00 . 2 . . . . A 61 GLY HA2 . 34047 1 763 . 1 1 62 62 GLY HA3 H 1 3.714 0.00 . 2 . . . . A 61 GLY HA3 . 34047 1 764 . 1 1 62 62 GLY C C 13 175.968 0.00 . 1 . . . . A 61 GLY C . 34047 1 765 . 1 1 62 62 GLY CA C 13 46.501 0.00 . 1 . . . . A 61 GLY CA . 34047 1 766 . 1 1 62 62 GLY N N 15 103.763 0.00 . 1 . . . . A 61 GLY N . 34047 1 767 . 1 1 63 63 LYS H H 1 7.224 0.00 . 1 . . . . A 62 LYS H . 34047 1 768 . 1 1 63 63 LYS HA H 1 3.970 0.00 . 1 . . . . A 62 LYS HA . 34047 1 769 . 1 1 63 63 LYS HB2 H 1 1.678 0.00 . 2 . . . . A 62 LYS HB2 . 34047 1 770 . 1 1 63 63 LYS HB3 H 1 1.538 0.00 . 2 . . . . A 62 LYS HB3 . 34047 1 771 . 1 1 63 63 LYS HG2 H 1 1.375 0.00 . 2 . . . . A 62 LYS HG2 . 34047 1 772 . 1 1 63 63 LYS HG3 H 1 1.273 0.00 . 2 . . . . A 62 LYS HG3 . 34047 1 773 . 1 1 63 63 LYS HD2 H 1 1.477 0.00 . 1 . . . . A 62 LYS HD2 . 34047 1 774 . 1 1 63 63 LYS HD3 H 1 1.477 0.00 . 1 . . . . A 62 LYS HD3 . 34047 1 775 . 1 1 63 63 LYS HE2 H 1 2.774 0.00 . 1 . . . . A 62 LYS HE2 . 34047 1 776 . 1 1 63 63 LYS HE3 H 1 2.774 0.00 . 1 . . . . A 62 LYS HE3 . 34047 1 777 . 1 1 63 63 LYS C C 13 176.710 0.00 . 1 . . . . A 62 LYS C . 34047 1 778 . 1 1 63 63 LYS CA C 13 57.450 0.00 . 1 . . . . A 62 LYS CA . 34047 1 779 . 1 1 63 63 LYS CB C 13 32.630 0.00 . 1 . . . . A 62 LYS CB . 34047 1 780 . 1 1 63 63 LYS CG C 13 25.372 0.00 . 1 . . . . A 62 LYS CG . 34047 1 781 . 1 1 63 63 LYS CD C 13 28.562 0.00 . 1 . . . . A 62 LYS CD . 34047 1 782 . 1 1 63 63 LYS CE C 13 41.181 0.00 . 1 . . . . A 62 LYS CE . 34047 1 783 . 1 1 63 63 LYS N N 15 119.386 0.00 . 1 . . . . A 62 LYS N . 34047 1 784 . 1 1 64 64 ALA H H 1 6.938 0.00 . 1 . . . . A 63 ALA H . 34047 1 785 . 1 1 64 64 ALA HA H 1 3.839 0.00 . 1 . . . . A 63 ALA HA . 34047 1 786 . 1 1 64 64 ALA HB1 H 1 0.574 0.00 . 1 . . . . A 63 ALA HB1 . 34047 1 787 . 1 1 64 64 ALA HB2 H 1 0.574 0.00 . 1 . . . . A 63 ALA HB2 . 34047 1 788 . 1 1 64 64 ALA HB3 H 1 0.574 0.00 . 1 . . . . A 63 ALA HB3 . 34047 1 789 . 1 1 64 64 ALA C C 13 176.986 0.00 . 1 . . . . A 63 ALA C . 34047 1 790 . 1 1 64 64 ALA CA C 13 52.290 0.00 . 1 . . . . A 63 ALA CA . 34047 1 791 . 1 1 64 64 ALA CB C 13 18.146 0.00 . 1 . . . . A 63 ALA CB . 34047 1 792 . 1 1 64 64 ALA N N 15 121.001 0.00 . 1 . . . . A 63 ALA N . 34047 1 793 . 1 1 65 65 ILE H H 1 7.026 0.00 . 1 . . . . A 64 ILE H . 34047 1 794 . 1 1 65 65 ILE HA H 1 3.839 0.00 . 1 . . . . A 64 ILE HA . 34047 1 795 . 1 1 65 65 ILE HB H 1 1.608 0.00 . 1 . . . . A 64 ILE HB . 34047 1 796 . 1 1 65 65 ILE HG12 H 1 1.413 0.00 . 2 . . . . A 64 ILE HG12 . 34047 1 797 . 1 1 65 65 ILE HG13 H 1 0.693 0.00 . 2 . . . . A 64 ILE HG13 . 34047 1 798 . 1 1 65 65 ILE HG21 H 1 0.692 0.00 . 1 . . . . A 64 ILE HG21 . 34047 1 799 . 1 1 65 65 ILE HG22 H 1 0.692 0.00 . 1 . . . . A 64 ILE HG22 . 34047 1 800 . 1 1 65 65 ILE HG23 H 1 0.692 0.00 . 1 . . . . A 64 ILE HG23 . 34047 1 801 . 1 1 65 65 ILE HD11 H 1 0.679 0.00 . 1 . . . . A 64 ILE HD11 . 34047 1 802 . 1 1 65 65 ILE HD12 H 1 0.679 0.00 . 1 . . . . A 64 ILE HD12 . 34047 1 803 . 1 1 65 65 ILE HD13 H 1 0.679 0.00 . 1 . . . . A 64 ILE HD13 . 34047 1 804 . 1 1 65 65 ILE C C 13 173.705 0.00 . 1 . . . . A 64 ILE C . 34047 1 805 . 1 1 65 65 ILE CA C 13 59.110 0.00 . 1 . . . . A 64 ILE CA . 34047 1 806 . 1 1 65 65 ILE CB C 13 38.038 0.00 . 1 . . . . A 64 ILE CB . 34047 1 807 . 1 1 65 65 ILE CG1 C 13 26.882 0.00 . 1 . . . . A 64 ILE CG1 . 34047 1 808 . 1 1 65 65 ILE CG2 C 13 16.562 0.00 . 1 . . . . A 64 ILE CG2 . 34047 1 809 . 1 1 65 65 ILE CD1 C 13 13.058 0.00 . 1 . . . . A 64 ILE CD1 . 34047 1 810 . 1 1 65 65 ILE N N 15 120.117 0.00 . 1 . . . . A 64 ILE N . 34047 1 811 . 1 1 67 67 PRO HD2 H 1 3.385 0.00 . 1 . . . . A 66 PRO HD2 . 34047 1 812 . 1 1 67 67 PRO HD3 H 1 3.385 0.00 . 1 . . . . A 66 PRO HD3 . 34047 1 813 . 1 1 73 73 PRO HA H 1 4.259 0.00 . 1 . . . . A 72 PRO HA . 34047 1 814 . 1 1 73 73 PRO HB2 H 1 1.763 0.00 . 2 . . . . A 72 PRO HB2 . 34047 1 815 . 1 1 73 73 PRO HB3 H 1 2.147 0.00 . 2 . . . . A 72 PRO HB3 . 34047 1 816 . 1 1 73 73 PRO HG2 H 1 1.888 0.00 . 1 . . . . A 72 PRO HG2 . 34047 1 817 . 1 1 73 73 PRO HG3 H 1 1.888 0.00 . 1 . . . . A 72 PRO HG3 . 34047 1 818 . 1 1 73 73 PRO HD2 H 1 3.488 0.00 . 2 . . . . A 72 PRO HD2 . 34047 1 819 . 1 1 73 73 PRO HD3 H 1 3.673 0.00 . 2 . . . . A 72 PRO HD3 . 34047 1 820 . 1 1 73 73 PRO C C 13 176.848 0.00 . 1 . . . . A 72 PRO C . 34047 1 821 . 1 1 73 73 PRO CA C 13 62.777 0.00 . 1 . . . . A 72 PRO CA . 34047 1 822 . 1 1 73 73 PRO CB C 13 32.080 0.00 . 1 . . . . A 72 PRO CB . 34047 1 823 . 1 1 73 73 PRO CG C 13 27.691 0.00 . 1 . . . . A 72 PRO CG . 34047 1 824 . 1 1 73 73 PRO CD C 13 50.172 0.00 . 1 . . . . A 72 PRO CD . 34047 1 825 . 1 1 74 74 LEU H H 1 8.245 0.00 . 1 . . . . A 73 LEU H . 34047 1 826 . 1 1 74 74 LEU HA H 1 4.235 0.00 . 1 . . . . A 73 LEU HA . 34047 1 827 . 1 1 74 74 LEU HB2 H 1 1.497 0.00 . 1 . . . . A 73 LEU HB2 . 34047 1 828 . 1 1 74 74 LEU HB3 H 1 1.497 0.00 . 1 . . . . A 73 LEU HB3 . 34047 1 829 . 1 1 74 74 LEU HG H 1 1.449 0.00 . 1 . . . . A 73 LEU HG . 34047 1 830 . 1 1 74 74 LEU HD11 H 1 0.757 0.00 . 2 . . . . A 73 LEU HD11 . 34047 1 831 . 1 1 74 74 LEU HD12 H 1 0.757 0.00 . 2 . . . . A 73 LEU HD12 . 34047 1 832 . 1 1 74 74 LEU HD13 H 1 0.757 0.00 . 2 . . . . A 73 LEU HD13 . 34047 1 833 . 1 1 74 74 LEU HD21 H 1 0.781 0.00 . 2 . . . . A 73 LEU HD21 . 34047 1 834 . 1 1 74 74 LEU HD22 H 1 0.781 0.00 . 2 . . . . A 73 LEU HD22 . 34047 1 835 . 1 1 74 74 LEU HD23 H 1 0.781 0.00 . 2 . . . . A 73 LEU HD23 . 34047 1 836 . 1 1 74 74 LEU C C 13 177.539 0.00 . 1 . . . . A 73 LEU C . 34047 1 837 . 1 1 74 74 LEU CA C 13 55.604 0.00 . 1 . . . . A 73 LEU CA . 34047 1 838 . 1 1 74 74 LEU CB C 13 42.409 0.00 . 1 . . . . A 73 LEU CB . 34047 1 839 . 1 1 74 74 LEU CG C 13 27.321 0.00 . 1 . . . . A 73 LEU CG . 34047 1 840 . 1 1 74 74 LEU CD1 C 13 23.320 0.00 . 2 . . . . A 73 LEU CD1 . 34047 1 841 . 1 1 74 74 LEU CD2 C 13 24.223 0.00 . 2 . . . . A 73 LEU CD2 . 34047 1 842 . 1 1 74 74 LEU N N 15 122.231 0.00 . 1 . . . . A 73 LEU N . 34047 1 843 . 1 1 75 75 THR H H 1 8.005 0.00 . 1 . . . . A 74 THR H . 34047 1 844 . 1 1 75 75 THR HA H 1 4.187 0.00 . 1 . . . . A 74 THR HA . 34047 1 845 . 1 1 75 75 THR HB H 1 4.037 0.00 . 1 . . . . A 74 THR HB . 34047 1 846 . 1 1 75 75 THR HG21 H 1 1.062 0.00 . 1 . . . . A 74 THR HG21 . 34047 1 847 . 1 1 75 75 THR HG22 H 1 1.062 0.00 . 1 . . . . A 74 THR HG22 . 34047 1 848 . 1 1 75 75 THR HG23 H 1 1.062 0.00 . 1 . . . . A 74 THR HG23 . 34047 1 849 . 1 1 75 75 THR C C 13 174.215 0.00 . 1 . . . . A 74 THR C . 34047 1 850 . 1 1 75 75 THR CA C 13 61.708 0.00 . 1 . . . . A 74 THR CA . 34047 1 851 . 1 1 75 75 THR CB C 13 69.771 0.00 . 1 . . . . A 74 THR CB . 34047 1 852 . 1 1 75 75 THR CG2 C 13 21.752 0.00 . 1 . . . . A 74 THR CG2 . 34047 1 853 . 1 1 75 75 THR N N 15 115.516 0.00 . 1 . . . . A 74 THR N . 34047 1 854 . 1 1 76 76 LEU H H 1 8.162 0.00 . 1 . . . . A 75 LEU H . 34047 1 855 . 1 1 76 76 LEU HA H 1 4.264 0.00 . 1 . . . . A 75 LEU HA . 34047 1 856 . 1 1 76 76 LEU HB2 H 1 1.514 0.00 . 2 . . . . A 75 LEU HB2 . 34047 1 857 . 1 1 76 76 LEU HB3 H 1 1.483 0.00 . 2 . . . . A 75 LEU HB3 . 34047 1 858 . 1 1 76 76 LEU HD11 H 1 0.764 0.00 . 2 . . . . A 75 LEU HD11 . 34047 1 859 . 1 1 76 76 LEU HD12 H 1 0.764 0.00 . 2 . . . . A 75 LEU HD12 . 34047 1 860 . 1 1 76 76 LEU HD13 H 1 0.764 0.00 . 2 . . . . A 75 LEU HD13 . 34047 1 861 . 1 1 76 76 LEU HD21 H 1 0.763 0.00 . 2 . . . . A 75 LEU HD21 . 34047 1 862 . 1 1 76 76 LEU HD22 H 1 0.763 0.00 . 2 . . . . A 75 LEU HD22 . 34047 1 863 . 1 1 76 76 LEU HD23 H 1 0.763 0.00 . 2 . . . . A 75 LEU HD23 . 34047 1 864 . 1 1 76 76 LEU C C 13 177.254 0.00 . 1 . . . . A 75 LEU C . 34047 1 865 . 1 1 76 76 LEU CA C 13 55.017 0.00 . 1 . . . . A 75 LEU CA . 34047 1 866 . 1 1 76 76 LEU CB C 13 42.312 0.00 . 1 . . . . A 75 LEU CB . 34047 1 867 . 1 1 76 76 LEU CD1 C 13 23.320 0.00 . 2 . . . . A 75 LEU CD1 . 34047 1 868 . 1 1 76 76 LEU CD2 C 13 24.223 0.00 . 2 . . . . A 75 LEU CD2 . 34047 1 869 . 1 1 76 76 LEU N N 15 124.851 0.00 . 1 . . . . A 75 LEU N . 34047 1 870 . 1 1 77 77 SER H H 1 8.189 0.00 . 1 . . . . A 76 SER H . 34047 1 871 . 1 1 77 77 SER HA H 1 4.260 0.00 . 1 . . . . A 76 SER HA . 34047 1 872 . 1 1 77 77 SER HB2 H 1 3.709 0.00 . 1 . . . . A 76 SER HB2 . 34047 1 873 . 1 1 77 77 SER HB3 H 1 3.709 0.00 . 1 . . . . A 76 SER HB3 . 34047 1 874 . 1 1 77 77 SER C C 13 174.422 0.00 . 1 . . . . A 76 SER C . 34047 1 875 . 1 1 77 77 SER CA C 13 58.389 0.00 . 1 . . . . A 76 SER CA . 34047 1 876 . 1 1 77 77 SER CB C 13 63.731 0.00 . 1 . . . . A 76 SER CB . 34047 1 877 . 1 1 77 77 SER N N 15 116.873 0.00 . 1 . . . . A 76 SER N . 34047 1 878 . 1 1 78 78 LYS H H 1 8.213 0.00 . 1 . . . . A 77 LYS H . 34047 1 879 . 1 1 78 78 LYS HA H 1 4.178 0.00 . 1 . . . . A 77 LYS HA . 34047 1 880 . 1 1 78 78 LYS HB2 H 1 1.592 0.00 . 2 . . . . A 77 LYS HB2 . 34047 1 881 . 1 1 78 78 LYS HB3 H 1 1.693 0.00 . 2 . . . . A 77 LYS HB3 . 34047 1 882 . 1 1 78 78 LYS HG2 H 1 1.462 0.00 . 1 . . . . A 77 LYS HG2 . 34047 1 883 . 1 1 78 78 LYS HG3 H 1 1.462 0.00 . 1 . . . . A 77 LYS HG3 . 34047 1 884 . 1 1 78 78 LYS HE2 H 1 2.831 0.00 . 1 . . . . A 77 LYS HE2 . 34047 1 885 . 1 1 78 78 LYS HE3 H 1 2.831 0.00 . 1 . . . . A 77 LYS HE3 . 34047 1 886 . 1 1 78 78 LYS CA C 13 56.151 0.00 . 1 . . . . A 77 LYS CA . 34047 1 887 . 1 1 78 78 LYS CB C 13 32.799 0.00 . 1 . . . . A 77 LYS CB . 34047 1 888 . 1 1 78 78 LYS CG C 13 25.300 0.00 . 1 . . . . A 77 LYS CG . 34047 1 889 . 1 1 78 78 LYS N N 15 123.343 0.00 . 1 . . . . A 77 LYS N . 34047 1 890 . 1 1 79 79 LEU H H 1 8.082 0.00 . 1 . . . . A 78 LEU H . 34047 1 891 . 1 1 79 79 LEU HA H 1 4.150 0.00 . 1 . . . . A 78 LEU HA . 34047 1 892 . 1 1 79 79 LEU HB2 H 1 1.388 0.00 . 1 . . . . A 78 LEU HB2 . 34047 1 893 . 1 1 79 79 LEU HB3 H 1 1.388 0.00 . 1 . . . . A 78 LEU HB3 . 34047 1 894 . 1 1 79 79 LEU HD11 H 1 0.743 0.00 . 1 . . . . A 78 LEU HD11 . 34047 1 895 . 1 1 79 79 LEU HD12 H 1 0.743 0.00 . 1 . . . . A 78 LEU HD12 . 34047 1 896 . 1 1 79 79 LEU HD13 H 1 0.743 0.00 . 1 . . . . A 78 LEU HD13 . 34047 1 897 . 1 1 79 79 LEU HD21 H 1 0.743 0.00 . 1 . . . . A 78 LEU HD21 . 34047 1 898 . 1 1 79 79 LEU HD22 H 1 0.743 0.00 . 1 . . . . A 78 LEU HD22 . 34047 1 899 . 1 1 79 79 LEU HD23 H 1 0.743 0.00 . 1 . . . . A 78 LEU HD23 . 34047 1 900 . 1 1 79 79 LEU C C 13 177.183 0.00 . 1 . . . . A 78 LEU C . 34047 1 901 . 1 1 79 79 LEU CA C 13 55.015 0.00 . 1 . . . . A 78 LEU CA . 34047 1 902 . 1 1 79 79 LEU CB C 13 42.020 0.00 . 1 . . . . A 78 LEU CB . 34047 1 903 . 1 1 79 79 LEU N N 15 122.891 0.00 . 1 . . . . A 78 LEU N . 34047 1 904 . 1 1 80 80 GLU H H 1 8.216 0.00 . 1 . . . . A 79 GLU H . 34047 1 905 . 1 1 80 80 GLU HA H 1 4.081 0.00 . 1 . . . . A 79 GLU HA . 34047 1 906 . 1 1 80 80 GLU HB2 H 1 1.763 0.00 . 2 . . . . A 79 GLU HB2 . 34047 1 907 . 1 1 80 80 GLU HB3 H 1 1.694 0.00 . 2 . . . . A 79 GLU HB3 . 34047 1 908 . 1 1 80 80 GLU HG2 H 1 2.055 0.00 . 2 . . . . A 79 GLU HG2 . 34047 1 909 . 1 1 80 80 GLU HG3 H 1 1.980 0.00 . 2 . . . . A 79 GLU HG3 . 34047 1 910 . 1 1 80 80 GLU C C 13 175.988 0.00 . 1 . . . . A 79 GLU C . 34047 1 911 . 1 1 80 80 GLU CA C 13 56.529 0.00 . 1 . . . . A 79 GLU CA . 34047 1 912 . 1 1 80 80 GLU CB C 13 30.331 0.00 . 1 . . . . A 79 GLU CB . 34047 1 913 . 1 1 80 80 GLU CG C 13 36.230 0.00 . 1 . . . . A 79 GLU CG . 34047 1 914 . 1 1 80 80 GLU N N 15 121.341 0.00 . 1 . . . . A 79 GLU N . 34047 1 915 . 1 1 81 81 HIS H H 1 8.102 0.00 . 1 . . . . A 80 HIS H . 34047 1 916 . 1 1 81 81 HIS HA H 1 3.931 0.00 . 1 . . . . A 80 HIS HA . 34047 1 917 . 1 1 81 81 HIS HB2 H 1 2.565 0.00 . 1 . . . . A 80 HIS HB2 . 34047 1 918 . 1 1 81 81 HIS HB3 H 1 2.565 0.00 . 1 . . . . A 80 HIS HB3 . 34047 1 919 . 1 1 81 81 HIS CA C 13 56.081 0.00 . 1 . . . . A 80 HIS CA . 34047 1 920 . 1 1 81 81 HIS CB C 13 30.811 0.00 . 1 . . . . A 80 HIS CB . 34047 1 921 . 1 1 81 81 HIS N N 15 120.044 0.00 . 1 . . . . A 80 HIS N . 34047 1 stop_ save_