data_25663 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25663 _Entry.Title ; SOLUTION STRUCTURE OF THE LINK MODULE OF HUMAN TSG-6 IN PRESENCE OF A CHONDROITIN 4-SULFATE HEXASACCHARIDE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-06-23 _Entry.Accession_date 2015-06-23 _Entry.Last_release_date 2016-01-11 _Entry.Original_release_date 2016-01-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Younghee Park . . . . 25663 2 James Prestegard . H. . . 25663 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25663 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CHONDROITIN SULFATE' . 25663 GLYCOPROTEIN . 25663 'LINK MODULE' . 25663 TSG-6 . 25663 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25663 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 358 25663 '15N chemical shifts' 93 25663 '1H chemical shifts' 663 25663 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 . . 2016-08-16 2015-06-16 update BMRB 'update entry citation' 25663 1 . . 2016-01-11 2015-06-16 original author 'original release' 25663 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N40 'BMRB Entry Tracking System' 25663 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25663 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26685054 _Citation.Full_citation . _Citation.Title ; NMR insight into the multiple glycosaminoglycan binding modes of the Link module from human TSG-6 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 55 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 262 _Citation.Page_last 276 _Citation.Year 2016 _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 Younghee Park . . . . 25663 1 2 Thomas Jowitt . A. . . 25663 1 3 Anthony Day . J. . . 25663 1 4 James Prestegard . H. . . 25663 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25663 _Assembly.ID 1 _Assembly.Name 'Link HUMAN TSG-6' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 Link-TSG-6 1 $Link-TSG-6 A . yes native no no . . . 25663 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 23 23 SG . 1 . 1 CYS 92 92 SG . . . . . . . . . . 25663 1 2 disulfide single . 1 . 1 CYS 47 47 SG . 1 . 1 CYS 68 68 SG . . . . . . . . . . 25663 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Link-TSG-6 _Entity.Sf_category entity _Entity.Sf_framecode Link-TSG-6 _Entity.Entry_ID 25663 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Link-TSG-6 _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 ; GVYHREARSGKYKLTYAEAK AVCEFEGGHLATYKQLEAAR KIGFHVCAAGWMAKGRVGYP IVKPGPNCGFGKTGIIDYGI RLNRSERWDAYCYNPHAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; number begins from 1 (36-133 in whole sequence of TSG-6) ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Link module of TSG-6' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10946.665 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 25663 1 2 . VAL . 25663 1 3 . TYR . 25663 1 4 . HIS . 25663 1 5 . ARG . 25663 1 6 . GLU . 25663 1 7 . ALA . 25663 1 8 . ARG . 25663 1 9 . SER . 25663 1 10 . GLY . 25663 1 11 . LYS . 25663 1 12 . TYR . 25663 1 13 . LYS . 25663 1 14 . LEU . 25663 1 15 . THR . 25663 1 16 . TYR . 25663 1 17 . ALA . 25663 1 18 . GLU . 25663 1 19 . ALA . 25663 1 20 . LYS . 25663 1 21 . ALA . 25663 1 22 . VAL . 25663 1 23 . CYS . 25663 1 24 . GLU . 25663 1 25 . PHE . 25663 1 26 . GLU . 25663 1 27 . GLY . 25663 1 28 . GLY . 25663 1 29 . HIS . 25663 1 30 . LEU . 25663 1 31 . ALA . 25663 1 32 . THR . 25663 1 33 . TYR . 25663 1 34 . LYS . 25663 1 35 . GLN . 25663 1 36 . LEU . 25663 1 37 . GLU . 25663 1 38 . ALA . 25663 1 39 . ALA . 25663 1 40 . ARG . 25663 1 41 . LYS . 25663 1 42 . ILE . 25663 1 43 . GLY . 25663 1 44 . PHE . 25663 1 45 . HIS . 25663 1 46 . VAL . 25663 1 47 . CYS . 25663 1 48 . ALA . 25663 1 49 . ALA . 25663 1 50 . GLY . 25663 1 51 . TRP . 25663 1 52 . MET . 25663 1 53 . ALA . 25663 1 54 . LYS . 25663 1 55 . GLY . 25663 1 56 . ARG . 25663 1 57 . VAL . 25663 1 58 . GLY . 25663 1 59 . TYR . 25663 1 60 . PRO . 25663 1 61 . ILE . 25663 1 62 . VAL . 25663 1 63 . LYS . 25663 1 64 . PRO . 25663 1 65 . GLY . 25663 1 66 . PRO . 25663 1 67 . ASN . 25663 1 68 . CYS . 25663 1 69 . GLY . 25663 1 70 . PHE . 25663 1 71 . GLY . 25663 1 72 . LYS . 25663 1 73 . THR . 25663 1 74 . GLY . 25663 1 75 . ILE . 25663 1 76 . ILE . 25663 1 77 . ASP . 25663 1 78 . TYR . 25663 1 79 . GLY . 25663 1 80 . ILE . 25663 1 81 . ARG . 25663 1 82 . LEU . 25663 1 83 . ASN . 25663 1 84 . ARG . 25663 1 85 . SER . 25663 1 86 . GLU . 25663 1 87 . ARG . 25663 1 88 . TRP . 25663 1 89 . ASP . 25663 1 90 . ALA . 25663 1 91 . TYR . 25663 1 92 . CYS . 25663 1 93 . TYR . 25663 1 94 . ASN . 25663 1 95 . PRO . 25663 1 96 . HIS . 25663 1 97 . ALA . 25663 1 98 . LYS . 25663 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25663 1 . VAL 2 2 25663 1 . TYR 3 3 25663 1 . HIS 4 4 25663 1 . ARG 5 5 25663 1 . GLU 6 6 25663 1 . ALA 7 7 25663 1 . ARG 8 8 25663 1 . SER 9 9 25663 1 . GLY 10 10 25663 1 . LYS 11 11 25663 1 . TYR 12 12 25663 1 . LYS 13 13 25663 1 . LEU 14 14 25663 1 . THR 15 15 25663 1 . TYR 16 16 25663 1 . ALA 17 17 25663 1 . GLU 18 18 25663 1 . ALA 19 19 25663 1 . LYS 20 20 25663 1 . ALA 21 21 25663 1 . VAL 22 22 25663 1 . CYS 23 23 25663 1 . GLU 24 24 25663 1 . PHE 25 25 25663 1 . GLU 26 26 25663 1 . GLY 27 27 25663 1 . GLY 28 28 25663 1 . HIS 29 29 25663 1 . LEU 30 30 25663 1 . ALA 31 31 25663 1 . THR 32 32 25663 1 . TYR 33 33 25663 1 . LYS 34 34 25663 1 . GLN 35 35 25663 1 . LEU 36 36 25663 1 . GLU 37 37 25663 1 . ALA 38 38 25663 1 . ALA 39 39 25663 1 . ARG 40 40 25663 1 . LYS 41 41 25663 1 . ILE 42 42 25663 1 . GLY 43 43 25663 1 . PHE 44 44 25663 1 . HIS 45 45 25663 1 . VAL 46 46 25663 1 . CYS 47 47 25663 1 . ALA 48 48 25663 1 . ALA 49 49 25663 1 . GLY 50 50 25663 1 . TRP 51 51 25663 1 . MET 52 52 25663 1 . ALA 53 53 25663 1 . LYS 54 54 25663 1 . GLY 55 55 25663 1 . ARG 56 56 25663 1 . VAL 57 57 25663 1 . GLY 58 58 25663 1 . TYR 59 59 25663 1 . PRO 60 60 25663 1 . ILE 61 61 25663 1 . VAL 62 62 25663 1 . LYS 63 63 25663 1 . PRO 64 64 25663 1 . GLY 65 65 25663 1 . PRO 66 66 25663 1 . ASN 67 67 25663 1 . CYS 68 68 25663 1 . GLY 69 69 25663 1 . PHE 70 70 25663 1 . GLY 71 71 25663 1 . LYS 72 72 25663 1 . THR 73 73 25663 1 . GLY 74 74 25663 1 . ILE 75 75 25663 1 . ILE 76 76 25663 1 . ASP 77 77 25663 1 . TYR 78 78 25663 1 . GLY 79 79 25663 1 . ILE 80 80 25663 1 . ARG 81 81 25663 1 . LEU 82 82 25663 1 . ASN 83 83 25663 1 . ARG 84 84 25663 1 . SER 85 85 25663 1 . GLU 86 86 25663 1 . ARG 87 87 25663 1 . TRP 88 88 25663 1 . ASP 89 89 25663 1 . ALA 90 90 25663 1 . TYR 91 91 25663 1 . CYS 92 92 25663 1 . TYR 93 93 25663 1 . ASN 94 94 25663 1 . PRO 95 95 25663 1 . HIS 96 96 25663 1 . ALA 97 97 25663 1 . LYS 98 98 25663 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 25663 _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 $Link-TSG-6 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25663 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 25663 _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 $Link-TSG-6 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pLysS . . . . . pRK172 . . . 25663 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C-15N_Link-TSG-6 _Sample.Sf_category sample _Sample.Sf_framecode 13C-15N_Link-TSG-6 _Sample.Entry_ID 25663 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MES 'natural abundance' . . . . . . 50 . . mM . . . . 25663 1 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 25663 1 3 Link-TSG-6 '[U-100% 13C; U-100% 15N]' . . 1 $Link-TSG-6 . . 0.5 . . mM . . . . 25663 1 4 'CHONDROITIN 4-SULFATE HEXASACCHARIDE' 'natural abundance' . . . . . . 0.6 . . mM . . . . 25663 1 stop_ save_ save_13C-15N_LinkTSG-6_RDC _Sample.Sf_category sample _Sample.Sf_framecode 13C-15N_LinkTSG-6_RDC _Sample.Entry_ID 25663 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'polyacrylamide neutral gel for an alignment media' _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 MES 'natural abundance' . . . . . . 50 . . mM . . . . 25663 2 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 25663 2 3 Link-TSG-6 '[U-100% 13C; U-100% 15N]' . . 1 $Link-TSG-6 . . 0.5 . . mM . . . . 25663 2 4 'CHONDROITIN 4-SULFATE HEXASACCHARIDE' 'natural abundance' . . . . . . 1.0 . . mM . . . . 25663 2 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 25663 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 . pH 25663 1 pressure 1 . atm 25663 1 temperature 298 . K 25663 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25663 _Software.ID 1 _Software.Name X-PLOR_NIH _Software.Version 2.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25663 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25663 1 'structure solution' 25663 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25663 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25663 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25663 2 'structure solution' 25663 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25663 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25663 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25663 3 'peak picking' 25663 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 25663 _Software.ID 4 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25663 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25663 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25663 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25663 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25663 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25663 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian/Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25663 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian/Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25663 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian/Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 25663 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian/Agilent INOVA . 600 . . . 25663 1 2 spectrometer_2 Varian/Agilent INOVA . 800 . . . 25663 1 3 spectrometer_3 Varian/Agilent INOVA . 900 . . . 25663 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 25663 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $13C-15N_Link-TSG-6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25663 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C-15N_Link-TSG-6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25663 1 3 '3D HNCO' no . . . . . . . . . . 1 $13C-15N_Link-TSG-6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25663 1 4 '3D HNCACB' no . . . . . . . . . . 1 $13C-15N_Link-TSG-6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25663 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $13C-15N_Link-TSG-6 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25663 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $13C-15N_Link-TSG-6 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25663 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $13C-15N_Link-TSG-6 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25663 1 8 '2D IPAP HSQC' no . . . . . . . . . . 2 $13C-15N_LinkTSG-6_RDC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25663 1 9 '2D IPAP HSQC' no . . . . . . . . . . 2 $13C-15N_LinkTSG-6_RDC anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25663 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25663 _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 H 1 water protons . . . . ppm 4.7 external indirect 1 . . . . . 25663 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25663 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25663 1 2 '3D CBCA(CO)NH' . . . 25663 1 3 '3D HNCO' . . . 25663 1 4 '3D HNCACB' . . . 25663 1 5 '3D HCCH-TOCSY' . . . 25663 1 6 '3D 1H-15N NOESY' . . . 25663 1 7 '3D 1H-13C NOESY' . . . 25663 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 $X-PLOR_NIH . . 25663 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.531 0.003 . . . . . A 1 GLY HA2 . 25663 1 2 . 1 1 1 1 GLY HA3 H 1 3.823 0.007 . . . . . A 1 GLY HA3 . 25663 1 3 . 1 1 1 1 GLY C C 13 169.541 0.000 . . . . . A 1 GLY C . 25663 1 4 . 1 1 1 1 GLY CA C 13 43.388 0.044 . . . . . A 1 GLY CA . 25663 1 5 . 1 1 2 2 VAL H H 1 8.486 0.012 . . . . . A 2 VAL H . 25663 1 6 . 1 1 2 2 VAL HA H 1 5.257 0.017 . . . . . A 2 VAL HA . 25663 1 7 . 1 1 2 2 VAL HB H 1 1.323 0.025 . . . . . A 2 VAL HB . 25663 1 8 . 1 1 2 2 VAL HG11 H 1 0.853 0.013 . . . . . A 2 VAL HG11 . 25663 1 9 . 1 1 2 2 VAL HG12 H 1 0.853 0.013 . . . . . A 2 VAL HG12 . 25663 1 10 . 1 1 2 2 VAL HG13 H 1 0.853 0.013 . . . . . A 2 VAL HG13 . 25663 1 11 . 1 1 2 2 VAL HG21 H 1 0.800 0.013 . . . . . A 2 VAL HG21 . 25663 1 12 . 1 1 2 2 VAL HG22 H 1 0.800 0.013 . . . . . A 2 VAL HG22 . 25663 1 13 . 1 1 2 2 VAL HG23 H 1 0.800 0.013 . . . . . A 2 VAL HG23 . 25663 1 14 . 1 1 2 2 VAL C C 13 174.533 0.000 . . . . . A 2 VAL C . 25663 1 15 . 1 1 2 2 VAL CA C 13 60.536 0.041 . . . . . A 2 VAL CA . 25663 1 16 . 1 1 2 2 VAL CB C 13 33.278 0.060 . . . . . A 2 VAL CB . 25663 1 17 . 1 1 2 2 VAL CG1 C 13 23.814 0.104 . . . . . A 2 VAL CG1 . 25663 1 18 . 1 1 2 2 VAL CG2 C 13 23.109 0.088 . . . . . A 2 VAL CG2 . 25663 1 19 . 1 1 2 2 VAL N N 15 122.742 0.057 . . . . . A 2 VAL N . 25663 1 20 . 1 1 3 3 TYR H H 1 8.715 0.012 . . . . . A 3 TYR H . 25663 1 21 . 1 1 3 3 TYR HA H 1 4.964 0.010 . . . . . A 3 TYR HA . 25663 1 22 . 1 1 3 3 TYR HB2 H 1 3.029 0.030 . . . . . A 3 TYR HB2 . 25663 1 23 . 1 1 3 3 TYR HB3 H 1 2.938 0.010 . . . . . A 3 TYR HB3 . 25663 1 24 . 1 1 3 3 TYR HD1 H 1 6.743 0.022 . . . . . A 3 TYR HD1 . 25663 1 25 . 1 1 3 3 TYR HD2 H 1 6.743 0.022 . . . . . A 3 TYR HD2 . 25663 1 26 . 1 1 3 3 TYR HE1 H 1 6.589 0.000 . . . . . A 3 TYR HE1 . 25663 1 27 . 1 1 3 3 TYR HE2 H 1 6.589 0.000 . . . . . A 3 TYR HE2 . 25663 1 28 . 1 1 3 3 TYR C C 13 173.399 0.000 . . . . . A 3 TYR C . 25663 1 29 . 1 1 3 3 TYR CA C 13 56.073 0.084 . . . . . A 3 TYR CA . 25663 1 30 . 1 1 3 3 TYR CB C 13 40.278 0.106 . . . . . A 3 TYR CB . 25663 1 31 . 1 1 3 3 TYR N N 15 120.172 0.027 . . . . . A 3 TYR N . 25663 1 32 . 1 1 4 4 HIS H H 1 9.414 0.010 . . . . . A 4 HIS H . 25663 1 33 . 1 1 4 4 HIS HA H 1 4.929 0.008 . . . . . A 4 HIS HA . 25663 1 34 . 1 1 4 4 HIS HB2 H 1 3.396 0.014 . . . . . A 4 HIS HB2 . 25663 1 35 . 1 1 4 4 HIS HB3 H 1 3.350 0.008 . . . . . A 4 HIS HB3 . 25663 1 36 . 1 1 4 4 HIS HD2 H 1 6.373 0.000 . . . . . A 4 HIS HD2 . 25663 1 37 . 1 1 4 4 HIS HE1 H 1 8.173 0.000 . . . . . A 4 HIS HE1 . 25663 1 38 . 1 1 4 4 HIS C C 13 172.844 0.000 . . . . . A 4 HIS C . 25663 1 39 . 1 1 4 4 HIS CA C 13 54.154 0.113 . . . . . A 4 HIS CA . 25663 1 40 . 1 1 4 4 HIS CB C 13 30.961 0.075 . . . . . A 4 HIS CB . 25663 1 41 . 1 1 4 4 HIS N N 15 121.237 0.139 . . . . . A 4 HIS N . 25663 1 42 . 1 1 5 5 ARG H H 1 8.805 0.023 . . . . . A 5 ARG H . 25663 1 43 . 1 1 5 5 ARG HA H 1 4.619 0.007 . . . . . A 5 ARG HA . 25663 1 44 . 1 1 5 5 ARG HB2 H 1 1.466 0.013 . . . . . A 5 ARG HB2 . 25663 1 45 . 1 1 5 5 ARG HB3 H 1 1.466 0.013 . . . . . A 5 ARG HB3 . 25663 1 46 . 1 1 5 5 ARG HG2 H 1 1.426 0.010 . . . . . A 5 ARG HG2 . 25663 1 47 . 1 1 5 5 ARG HG3 H 1 1.426 0.010 . . . . . A 5 ARG HG3 . 25663 1 48 . 1 1 5 5 ARG HD2 H 1 3.464 0.013 . . . . . A 5 ARG HD2 . 25663 1 49 . 1 1 5 5 ARG HD3 H 1 3.237 0.022 . . . . . A 5 ARG HD3 . 25663 1 50 . 1 1 5 5 ARG HE H 1 8.755 0.006 . . . . . A 5 ARG HE . 25663 1 51 . 1 1 5 5 ARG C C 13 172.967 0.000 . . . . . A 5 ARG C . 25663 1 52 . 1 1 5 5 ARG CA C 13 53.177 0.066 . . . . . A 5 ARG CA . 25663 1 53 . 1 1 5 5 ARG CB C 13 33.832 0.169 . . . . . A 5 ARG CB . 25663 1 54 . 1 1 5 5 ARG CG C 13 27.896 0.138 . . . . . A 5 ARG CG . 25663 1 55 . 1 1 5 5 ARG CD C 13 41.705 0.045 . . . . . A 5 ARG CD . 25663 1 56 . 1 1 5 5 ARG N N 15 128.770 0.046 . . . . . A 5 ARG N . 25663 1 57 . 1 1 6 6 GLU H H 1 8.232 0.019 . . . . . A 6 GLU H . 25663 1 58 . 1 1 6 6 GLU HA H 1 4.490 0.006 . . . . . A 6 GLU HA . 25663 1 59 . 1 1 6 6 GLU HB2 H 1 1.899 0.012 . . . . . A 6 GLU HB2 . 25663 1 60 . 1 1 6 6 GLU HB3 H 1 1.752 0.012 . . . . . A 6 GLU HB3 . 25663 1 61 . 1 1 6 6 GLU HG2 H 1 2.237 0.006 . . . . . A 6 GLU HG2 . 25663 1 62 . 1 1 6 6 GLU HG3 H 1 1.963 0.010 . . . . . A 6 GLU HG3 . 25663 1 63 . 1 1 6 6 GLU C C 13 176.264 0.000 . . . . . A 6 GLU C . 25663 1 64 . 1 1 6 6 GLU CA C 13 53.336 0.071 . . . . . A 6 GLU CA . 25663 1 65 . 1 1 6 6 GLU CB C 13 33.133 0.073 . . . . . A 6 GLU CB . 25663 1 66 . 1 1 6 6 GLU CG C 13 34.976 0.082 . . . . . A 6 GLU CG . 25663 1 67 . 1 1 6 6 GLU N N 15 121.037 0.024 . . . . . A 6 GLU N . 25663 1 68 . 1 1 7 7 ALA H H 1 8.756 0.015 . . . . . A 7 ALA H . 25663 1 69 . 1 1 7 7 ALA HA H 1 4.215 0.004 . . . . . A 7 ALA HA . 25663 1 70 . 1 1 7 7 ALA HB1 H 1 1.500 0.009 . . . . . A 7 ALA HB1 . 25663 1 71 . 1 1 7 7 ALA HB2 H 1 1.500 0.009 . . . . . A 7 ALA HB2 . 25663 1 72 . 1 1 7 7 ALA HB3 H 1 1.500 0.009 . . . . . A 7 ALA HB3 . 25663 1 73 . 1 1 7 7 ALA C C 13 178.419 0.000 . . . . . A 7 ALA C . 25663 1 74 . 1 1 7 7 ALA CA C 13 52.182 0.048 . . . . . A 7 ALA CA . 25663 1 75 . 1 1 7 7 ALA CB C 13 20.128 0.083 . . . . . A 7 ALA CB . 25663 1 76 . 1 1 7 7 ALA N N 15 123.438 0.050 . . . . . A 7 ALA N . 25663 1 77 . 1 1 8 8 ARG H H 1 8.945 0.017 . . . . . A 8 ARG H . 25663 1 78 . 1 1 8 8 ARG HA H 1 3.998 0.006 . . . . . A 8 ARG HA . 25663 1 79 . 1 1 8 8 ARG HB2 H 1 1.791 0.011 . . . . . A 8 ARG HB2 . 25663 1 80 . 1 1 8 8 ARG HB3 H 1 1.803 0.000 . . . . . A 8 ARG HB3 . 25663 1 81 . 1 1 8 8 ARG HG2 H 1 1.695 0.004 . . . . . A 8 ARG HG2 . 25663 1 82 . 1 1 8 8 ARG HG3 H 1 1.650 0.002 . . . . . A 8 ARG HG3 . 25663 1 83 . 1 1 8 8 ARG HD2 H 1 3.165 0.003 . . . . . A 8 ARG HD2 . 25663 1 84 . 1 1 8 8 ARG HD3 H 1 3.168 0.000 . . . . . A 8 ARG HD3 . 25663 1 85 . 1 1 8 8 ARG HE H 1 7.153 0.000 . . . . . A 8 ARG HE . 25663 1 86 . 1 1 8 8 ARG C C 13 177.448 0.000 . . . . . A 8 ARG C . 25663 1 87 . 1 1 8 8 ARG CA C 13 58.660 0.046 . . . . . A 8 ARG CA . 25663 1 88 . 1 1 8 8 ARG CB C 13 29.406 0.050 . . . . . A 8 ARG CB . 25663 1 89 . 1 1 8 8 ARG CG C 13 27.239 0.087 . . . . . A 8 ARG CG . 25663 1 90 . 1 1 8 8 ARG CD C 13 43.016 0.063 . . . . . A 8 ARG CD . 25663 1 91 . 1 1 8 8 ARG N N 15 122.559 0.015 . . . . . A 8 ARG N . 25663 1 92 . 1 1 9 9 SER H H 1 7.445 0.008 . . . . . A 9 SER H . 25663 1 93 . 1 1 9 9 SER HA H 1 4.261 0.007 . . . . . A 9 SER HA . 25663 1 94 . 1 1 9 9 SER HB2 H 1 3.914 0.015 . . . . . A 9 SER HB2 . 25663 1 95 . 1 1 9 9 SER HB3 H 1 3.741 0.021 . . . . . A 9 SER HB3 . 25663 1 96 . 1 1 9 9 SER C C 13 174.411 0.000 . . . . . A 9 SER C . 25663 1 97 . 1 1 9 9 SER CA C 13 58.081 0.044 . . . . . A 9 SER CA . 25663 1 98 . 1 1 9 9 SER CB C 13 62.972 0.040 . . . . . A 9 SER CB . 25663 1 99 . 1 1 9 9 SER N N 15 107.309 0.014 . . . . . A 9 SER N . 25663 1 100 . 1 1 10 10 GLY H H 1 7.379 0.005 . . . . . A 10 GLY H . 25663 1 101 . 1 1 10 10 GLY HA2 H 1 3.615 0.003 . . . . . A 10 GLY HA2 . 25663 1 102 . 1 1 10 10 GLY HA3 H 1 4.513 0.003 . . . . . A 10 GLY HA3 . 25663 1 103 . 1 1 10 10 GLY C C 13 171.580 0.000 . . . . . A 10 GLY C . 25663 1 104 . 1 1 10 10 GLY CA C 13 44.036 0.070 . . . . . A 10 GLY CA . 25663 1 105 . 1 1 10 10 GLY N N 15 109.574 0.011 . . . . . A 10 GLY N . 25663 1 106 . 1 1 11 11 LYS H H 1 8.040 0.005 . . . . . A 11 LYS H . 25663 1 107 . 1 1 11 11 LYS HA H 1 3.993 0.006 . . . . . A 11 LYS HA . 25663 1 108 . 1 1 11 11 LYS HB2 H 1 1.548 0.008 . . . . . A 11 LYS HB2 . 25663 1 109 . 1 1 11 11 LYS HB3 H 1 1.381 0.020 . . . . . A 11 LYS HB3 . 25663 1 110 . 1 1 11 11 LYS HG2 H 1 1.047 0.008 . . . . . A 11 LYS HG2 . 25663 1 111 . 1 1 11 11 LYS HG3 H 1 0.155 0.008 . . . . . A 11 LYS HG3 . 25663 1 112 . 1 1 11 11 LYS HD2 H 1 1.298 0.039 . . . . . A 11 LYS HD2 . 25663 1 113 . 1 1 11 11 LYS HD3 H 1 1.200 0.004 . . . . . A 11 LYS HD3 . 25663 1 114 . 1 1 11 11 LYS HE2 H 1 2.136 0.005 . . . . . A 11 LYS HE2 . 25663 1 115 . 1 1 11 11 LYS HE3 H 1 2.136 0.005 . . . . . A 11 LYS HE3 . 25663 1 116 . 1 1 11 11 LYS C C 13 175.995 0.000 . . . . . A 11 LYS C . 25663 1 117 . 1 1 11 11 LYS CA C 13 57.374 0.031 . . . . . A 11 LYS CA . 25663 1 118 . 1 1 11 11 LYS CB C 13 34.009 0.103 . . . . . A 11 LYS CB . 25663 1 119 . 1 1 11 11 LYS CG C 13 24.904 0.071 . . . . . A 11 LYS CG . 25663 1 120 . 1 1 11 11 LYS CD C 13 30.399 0.067 . . . . . A 11 LYS CD . 25663 1 121 . 1 1 11 11 LYS CE C 13 41.779 0.024 . . . . . A 11 LYS CE . 25663 1 122 . 1 1 11 11 LYS N N 15 121.683 0.020 . . . . . A 11 LYS N . 25663 1 123 . 1 1 12 12 TYR H H 1 9.830 0.009 . . . . . A 12 TYR H . 25663 1 124 . 1 1 12 12 TYR HA H 1 3.990 0.004 . . . . . A 12 TYR HA . 25663 1 125 . 1 1 12 12 TYR HB2 H 1 3.273 0.012 . . . . . A 12 TYR HB2 . 25663 1 126 . 1 1 12 12 TYR HB3 H 1 3.100 0.011 . . . . . A 12 TYR HB3 . 25663 1 127 . 1 1 12 12 TYR HD1 H 1 7.233 0.018 . . . . . A 12 TYR HD1 . 25663 1 128 . 1 1 12 12 TYR HD2 H 1 7.233 0.018 . . . . . A 12 TYR HD2 . 25663 1 129 . 1 1 12 12 TYR HE1 H 1 7.352 0.000 . . . . . A 12 TYR HE1 . 25663 1 130 . 1 1 12 12 TYR HE2 H 1 7.352 0.000 . . . . . A 12 TYR HE2 . 25663 1 131 . 1 1 12 12 TYR C C 13 173.905 0.000 . . . . . A 12 TYR C . 25663 1 132 . 1 1 12 12 TYR CA C 13 54.397 0.029 . . . . . A 12 TYR CA . 25663 1 133 . 1 1 12 12 TYR CB C 13 32.105 0.047 . . . . . A 12 TYR CB . 25663 1 134 . 1 1 12 12 TYR N N 15 122.956 0.037 . . . . . A 12 TYR N . 25663 1 135 . 1 1 13 13 LYS H H 1 8.445 0.007 . . . . . A 13 LYS H . 25663 1 136 . 1 1 13 13 LYS HA H 1 4.577 0.018 . . . . . A 13 LYS HA . 25663 1 137 . 1 1 13 13 LYS HB2 H 1 1.875 0.013 . . . . . A 13 LYS HB2 . 25663 1 138 . 1 1 13 13 LYS HB3 H 1 1.449 0.016 . . . . . A 13 LYS HB3 . 25663 1 139 . 1 1 13 13 LYS HG2 H 1 1.013 0.011 . . . . . A 13 LYS HG2 . 25663 1 140 . 1 1 13 13 LYS HG3 H 1 0.968 0.013 . . . . . A 13 LYS HG3 . 25663 1 141 . 1 1 13 13 LYS HD2 H 1 1.494 0.009 . . . . . A 13 LYS HD2 . 25663 1 142 . 1 1 13 13 LYS HD3 H 1 1.247 0.013 . . . . . A 13 LYS HD3 . 25663 1 143 . 1 1 13 13 LYS HE2 H 1 2.873 0.050 . . . . . A 13 LYS HE2 . 25663 1 144 . 1 1 13 13 LYS HE3 H 1 2.811 0.010 . . . . . A 13 LYS HE3 . 25663 1 145 . 1 1 13 13 LYS C C 13 176.999 0.000 . . . . . A 13 LYS C . 25663 1 146 . 1 1 13 13 LYS CA C 13 55.014 0.083 . . . . . A 13 LYS CA . 25663 1 147 . 1 1 13 13 LYS CB C 13 35.021 0.061 . . . . . A 13 LYS CB . 25663 1 148 . 1 1 13 13 LYS CG C 13 24.014 0.073 . . . . . A 13 LYS CG . 25663 1 149 . 1 1 13 13 LYS CD C 13 28.187 0.079 . . . . . A 13 LYS CD . 25663 1 150 . 1 1 13 13 LYS CE C 13 42.486 0.041 . . . . . A 13 LYS CE . 25663 1 151 . 1 1 13 13 LYS N N 15 114.683 0.018 . . . . . A 13 LYS N . 25663 1 152 . 1 1 14 14 LEU H H 1 9.479 0.008 . . . . . A 14 LEU H . 25663 1 153 . 1 1 14 14 LEU HA H 1 5.122 0.007 . . . . . A 14 LEU HA . 25663 1 154 . 1 1 14 14 LEU HB2 H 1 2.612 0.009 . . . . . A 14 LEU HB2 . 25663 1 155 . 1 1 14 14 LEU HB3 H 1 1.403 0.010 . . . . . A 14 LEU HB3 . 25663 1 156 . 1 1 14 14 LEU HG H 1 1.977 0.008 . . . . . A 14 LEU HG . 25663 1 157 . 1 1 14 14 LEU HD11 H 1 0.777 0.011 . . . . . A 14 LEU HD11 . 25663 1 158 . 1 1 14 14 LEU HD12 H 1 0.777 0.011 . . . . . A 14 LEU HD12 . 25663 1 159 . 1 1 14 14 LEU HD13 H 1 0.777 0.011 . . . . . A 14 LEU HD13 . 25663 1 160 . 1 1 14 14 LEU HD21 H 1 0.755 0.003 . . . . . A 14 LEU HD21 . 25663 1 161 . 1 1 14 14 LEU HD22 H 1 0.755 0.003 . . . . . A 14 LEU HD22 . 25663 1 162 . 1 1 14 14 LEU HD23 H 1 0.755 0.003 . . . . . A 14 LEU HD23 . 25663 1 163 . 1 1 14 14 LEU C C 13 178.304 0.000 . . . . . A 14 LEU C . 25663 1 164 . 1 1 14 14 LEU CA C 13 54.800 0.036 . . . . . A 14 LEU CA . 25663 1 165 . 1 1 14 14 LEU CB C 13 43.528 0.055 . . . . . A 14 LEU CB . 25663 1 166 . 1 1 14 14 LEU CG C 13 25.898 0.070 . . . . . A 14 LEU CG . 25663 1 167 . 1 1 14 14 LEU CD1 C 13 24.621 0.102 . . . . . A 14 LEU CD1 . 25663 1 168 . 1 1 14 14 LEU CD2 C 13 26.963 0.077 . . . . . A 14 LEU CD2 . 25663 1 169 . 1 1 14 14 LEU N N 15 123.176 0.031 . . . . . A 14 LEU N . 25663 1 170 . 1 1 15 15 THR H H 1 8.792 0.015 . . . . . A 15 THR H . 25663 1 171 . 1 1 15 15 THR HA H 1 5.485 0.007 . . . . . A 15 THR HA . 25663 1 172 . 1 1 15 15 THR HB H 1 4.779 0.012 . . . . . A 15 THR HB . 25663 1 173 . 1 1 15 15 THR HG21 H 1 1.320 0.006 . . . . . A 15 THR HG21 . 25663 1 174 . 1 1 15 15 THR HG22 H 1 1.320 0.006 . . . . . A 15 THR HG22 . 25663 1 175 . 1 1 15 15 THR HG23 H 1 1.320 0.006 . . . . . A 15 THR HG23 . 25663 1 176 . 1 1 15 15 THR C C 13 174.697 0.000 . . . . . A 15 THR C . 25663 1 177 . 1 1 15 15 THR CA C 13 61.722 0.106 . . . . . A 15 THR CA . 25663 1 178 . 1 1 15 15 THR CB C 13 70.914 0.021 . . . . . A 15 THR CB . 25663 1 179 . 1 1 15 15 THR CG2 C 13 21.636 0.031 . . . . . A 15 THR CG2 . 25663 1 180 . 1 1 15 15 THR N N 15 116.144 0.033 . . . . . A 15 THR N . 25663 1 181 . 1 1 16 16 TYR H H 1 7.402 0.015 . . . . . A 16 TYR H . 25663 1 182 . 1 1 16 16 TYR HA H 1 2.375 0.010 . . . . . A 16 TYR HA . 25663 1 183 . 1 1 16 16 TYR HB2 H 1 2.195 0.006 . . . . . A 16 TYR HB2 . 25663 1 184 . 1 1 16 16 TYR HB3 H 1 0.834 0.009 . . . . . A 16 TYR HB3 . 25663 1 185 . 1 1 16 16 TYR HD1 H 1 6.753 0.009 . . . . . A 16 TYR HD1 . 25663 1 186 . 1 1 16 16 TYR HD2 H 1 6.753 0.009 . . . . . A 16 TYR HD2 . 25663 1 187 . 1 1 16 16 TYR C C 13 176.133 0.000 . . . . . A 16 TYR C . 25663 1 188 . 1 1 16 16 TYR CA C 13 61.408 0.050 . . . . . A 16 TYR CA . 25663 1 189 . 1 1 16 16 TYR CB C 13 36.889 0.051 . . . . . A 16 TYR CB . 25663 1 190 . 1 1 16 16 TYR N N 15 120.594 0.027 . . . . . A 16 TYR N . 25663 1 191 . 1 1 17 17 ALA H H 1 8.545 0.010 . . . . . A 17 ALA H . 25663 1 192 . 1 1 17 17 ALA HA H 1 3.509 0.013 . . . . . A 17 ALA HA . 25663 1 193 . 1 1 17 17 ALA HB1 H 1 1.267 0.013 . . . . . A 17 ALA HB1 . 25663 1 194 . 1 1 17 17 ALA HB2 H 1 1.267 0.013 . . . . . A 17 ALA HB2 . 25663 1 195 . 1 1 17 17 ALA HB3 H 1 1.267 0.013 . . . . . A 17 ALA HB3 . 25663 1 196 . 1 1 17 17 ALA C C 13 181.575 0.000 . . . . . A 17 ALA C . 25663 1 197 . 1 1 17 17 ALA CA C 13 54.732 0.041 . . . . . A 17 ALA CA . 25663 1 198 . 1 1 17 17 ALA CB C 13 18.124 0.095 . . . . . A 17 ALA CB . 25663 1 199 . 1 1 17 17 ALA N N 15 118.108 0.015 . . . . . A 17 ALA N . 25663 1 200 . 1 1 18 18 GLU H H 1 7.327 0.013 . . . . . A 18 GLU H . 25663 1 201 . 1 1 18 18 GLU HA H 1 3.879 0.007 . . . . . A 18 GLU HA . 25663 1 202 . 1 1 18 18 GLU HB2 H 1 2.148 0.014 . . . . . A 18 GLU HB2 . 25663 1 203 . 1 1 18 18 GLU HB3 H 1 1.971 0.008 . . . . . A 18 GLU HB3 . 25663 1 204 . 1 1 18 18 GLU HG2 H 1 2.258 0.004 . . . . . A 18 GLU HG2 . 25663 1 205 . 1 1 18 18 GLU HG3 H 1 2.170 0.010 . . . . . A 18 GLU HG3 . 25663 1 206 . 1 1 18 18 GLU C C 13 178.624 0.000 . . . . . A 18 GLU C . 25663 1 207 . 1 1 18 18 GLU CA C 13 58.432 0.065 . . . . . A 18 GLU CA . 25663 1 208 . 1 1 18 18 GLU CB C 13 30.814 0.047 . . . . . A 18 GLU CB . 25663 1 209 . 1 1 18 18 GLU CG C 13 37.274 0.064 . . . . . A 18 GLU CG . 25663 1 210 . 1 1 18 18 GLU N N 15 117.696 0.013 . . . . . A 18 GLU N . 25663 1 211 . 1 1 19 19 ALA H H 1 8.744 0.009 . . . . . A 19 ALA H . 25663 1 212 . 1 1 19 19 ALA HA H 1 3.871 0.004 . . . . . A 19 ALA HA . 25663 1 213 . 1 1 19 19 ALA HB1 H 1 1.522 0.011 . . . . . A 19 ALA HB1 . 25663 1 214 . 1 1 19 19 ALA HB2 H 1 1.522 0.011 . . . . . A 19 ALA HB2 . 25663 1 215 . 1 1 19 19 ALA HB3 H 1 1.522 0.011 . . . . . A 19 ALA HB3 . 25663 1 216 . 1 1 19 19 ALA C C 13 177.371 0.000 . . . . . A 19 ALA C . 25663 1 217 . 1 1 19 19 ALA CA C 13 54.955 0.049 . . . . . A 19 ALA CA . 25663 1 218 . 1 1 19 19 ALA CB C 13 19.893 0.075 . . . . . A 19 ALA CB . 25663 1 219 . 1 1 19 19 ALA N N 15 124.629 0.020 . . . . . A 19 ALA N . 25663 1 220 . 1 1 20 20 LYS H H 1 8.188 0.011 . . . . . A 20 LYS H . 25663 1 221 . 1 1 20 20 LYS HA H 1 3.435 0.013 . . . . . A 20 LYS HA . 25663 1 222 . 1 1 20 20 LYS HB2 H 1 1.458 0.018 . . . . . A 20 LYS HB2 . 25663 1 223 . 1 1 20 20 LYS HB3 H 1 1.106 0.012 . . . . . A 20 LYS HB3 . 25663 1 224 . 1 1 20 20 LYS HG2 H 1 1.259 0.003 . . . . . A 20 LYS HG2 . 25663 1 225 . 1 1 20 20 LYS HG3 H 1 1.155 0.014 . . . . . A 20 LYS HG3 . 25663 1 226 . 1 1 20 20 LYS HD2 H 1 1.467 0.013 . . . . . A 20 LYS HD2 . 25663 1 227 . 1 1 20 20 LYS HD3 H 1 1.467 0.013 . . . . . A 20 LYS HD3 . 25663 1 228 . 1 1 20 20 LYS HE2 H 1 2.935 0.009 . . . . . A 20 LYS HE2 . 25663 1 229 . 1 1 20 20 LYS HE3 H 1 2.911 0.013 . . . . . A 20 LYS HE3 . 25663 1 230 . 1 1 20 20 LYS C C 13 178.017 0.000 . . . . . A 20 LYS C . 25663 1 231 . 1 1 20 20 LYS CA C 13 60.086 0.035 . . . . . A 20 LYS CA . 25663 1 232 . 1 1 20 20 LYS CB C 13 33.186 0.056 . . . . . A 20 LYS CB . 25663 1 233 . 1 1 20 20 LYS CG C 13 24.713 0.063 . . . . . A 20 LYS CG . 25663 1 234 . 1 1 20 20 LYS CD C 13 30.073 0.000 . . . . . A 20 LYS CD . 25663 1 235 . 1 1 20 20 LYS CE C 13 42.036 0.016 . . . . . A 20 LYS CE . 25663 1 236 . 1 1 20 20 LYS N N 15 117.842 0.026 . . . . . A 20 LYS N . 25663 1 237 . 1 1 21 21 ALA H H 1 7.382 0.007 . . . . . A 21 ALA H . 25663 1 238 . 1 1 21 21 ALA HA H 1 4.040 0.004 . . . . . A 21 ALA HA . 25663 1 239 . 1 1 21 21 ALA HB1 H 1 1.388 0.013 . . . . . A 21 ALA HB1 . 25663 1 240 . 1 1 21 21 ALA HB2 H 1 1.388 0.013 . . . . . A 21 ALA HB2 . 25663 1 241 . 1 1 21 21 ALA HB3 H 1 1.388 0.013 . . . . . A 21 ALA HB3 . 25663 1 242 . 1 1 21 21 ALA C C 13 180.598 0.000 . . . . . A 21 ALA C . 25663 1 243 . 1 1 21 21 ALA CA C 13 54.991 0.042 . . . . . A 21 ALA CA . 25663 1 244 . 1 1 21 21 ALA CB C 13 18.071 0.031 . . . . . A 21 ALA CB . 25663 1 245 . 1 1 21 21 ALA N N 15 117.564 0.031 . . . . . A 21 ALA N . 25663 1 246 . 1 1 22 22 VAL H H 1 8.203 0.005 . . . . . A 22 VAL H . 25663 1 247 . 1 1 22 22 VAL HA H 1 3.883 0.009 . . . . . A 22 VAL HA . 25663 1 248 . 1 1 22 22 VAL HB H 1 2.108 0.016 . . . . . A 22 VAL HB . 25663 1 249 . 1 1 22 22 VAL HG11 H 1 0.980 0.012 . . . . . A 22 VAL HG11 . 25663 1 250 . 1 1 22 22 VAL HG12 H 1 0.980 0.012 . . . . . A 22 VAL HG12 . 25663 1 251 . 1 1 22 22 VAL HG13 H 1 0.980 0.012 . . . . . A 22 VAL HG13 . 25663 1 252 . 1 1 22 22 VAL HG21 H 1 0.861 0.025 . . . . . A 22 VAL HG21 . 25663 1 253 . 1 1 22 22 VAL HG22 H 1 0.861 0.025 . . . . . A 22 VAL HG22 . 25663 1 254 . 1 1 22 22 VAL HG23 H 1 0.861 0.025 . . . . . A 22 VAL HG23 . 25663 1 255 . 1 1 22 22 VAL C C 13 177.921 0.000 . . . . . A 22 VAL C . 25663 1 256 . 1 1 22 22 VAL CA C 13 66.242 0.042 . . . . . A 22 VAL CA . 25663 1 257 . 1 1 22 22 VAL CB C 13 31.136 0.051 . . . . . A 22 VAL CB . 25663 1 258 . 1 1 22 22 VAL CG1 C 13 23.386 0.080 . . . . . A 22 VAL CG1 . 25663 1 259 . 1 1 22 22 VAL CG2 C 13 20.840 0.078 . . . . . A 22 VAL CG2 . 25663 1 260 . 1 1 22 22 VAL N N 15 120.351 0.043 . . . . . A 22 VAL N . 25663 1 261 . 1 1 23 23 CYS H H 1 7.788 0.009 . . . . . A 23 CYS H . 25663 1 262 . 1 1 23 23 CYS HA H 1 4.352 0.014 . . . . . A 23 CYS HA . 25663 1 263 . 1 1 23 23 CYS HB2 H 1 2.551 0.016 . . . . . A 23 CYS HB2 . 25663 1 264 . 1 1 23 23 CYS HB3 H 1 2.389 0.010 . . . . . A 23 CYS HB3 . 25663 1 265 . 1 1 23 23 CYS C C 13 178.687 0.000 . . . . . A 23 CYS C . 25663 1 266 . 1 1 23 23 CYS CA C 13 55.224 0.042 . . . . . A 23 CYS CA . 25663 1 267 . 1 1 23 23 CYS CB C 13 33.542 0.062 . . . . . A 23 CYS CB . 25663 1 268 . 1 1 23 23 CYS N N 15 116.368 0.029 . . . . . A 23 CYS N . 25663 1 269 . 1 1 24 24 GLU H H 1 8.196 0.005 . . . . . A 24 GLU H . 25663 1 270 . 1 1 24 24 GLU HA H 1 4.259 0.006 . . . . . A 24 GLU HA . 25663 1 271 . 1 1 24 24 GLU HB2 H 1 1.995 0.006 . . . . . A 24 GLU HB2 . 25663 1 272 . 1 1 24 24 GLU HB3 H 1 1.954 0.013 . . . . . A 24 GLU HB3 . 25663 1 273 . 1 1 24 24 GLU HG2 H 1 2.584 0.007 . . . . . A 24 GLU HG2 . 25663 1 274 . 1 1 24 24 GLU HG3 H 1 2.398 0.010 . . . . . A 24 GLU HG3 . 25663 1 275 . 1 1 24 24 GLU C C 13 180.516 0.000 . . . . . A 24 GLU C . 25663 1 276 . 1 1 24 24 GLU CA C 13 58.412 0.044 . . . . . A 24 GLU CA . 25663 1 277 . 1 1 24 24 GLU CB C 13 28.855 0.070 . . . . . A 24 GLU CB . 25663 1 278 . 1 1 24 24 GLU CG C 13 36.871 0.068 . . . . . A 24 GLU CG . 25663 1 279 . 1 1 24 24 GLU N N 15 120.341 0.031 . . . . . A 24 GLU N . 25663 1 280 . 1 1 25 25 PHE H H 1 8.946 0.014 . . . . . A 25 PHE H . 25663 1 281 . 1 1 25 25 PHE HA H 1 4.267 0.003 . . . . . A 25 PHE HA . 25663 1 282 . 1 1 25 25 PHE HB2 H 1 3.406 0.007 . . . . . A 25 PHE HB2 . 25663 1 283 . 1 1 25 25 PHE HB3 H 1 3.177 0.006 . . . . . A 25 PHE HB3 . 25663 1 284 . 1 1 25 25 PHE HD1 H 1 7.255 0.008 . . . . . A 25 PHE HD1 . 25663 1 285 . 1 1 25 25 PHE HD2 H 1 7.255 0.008 . . . . . A 25 PHE HD2 . 25663 1 286 . 1 1 25 25 PHE HE1 H 1 7.313 0.001 . . . . . A 25 PHE HE1 . 25663 1 287 . 1 1 25 25 PHE HE2 H 1 7.313 0.001 . . . . . A 25 PHE HE2 . 25663 1 288 . 1 1 25 25 PHE C C 13 177.593 0.000 . . . . . A 25 PHE C . 25663 1 289 . 1 1 25 25 PHE CA C 13 60.845 0.057 . . . . . A 25 PHE CA . 25663 1 290 . 1 1 25 25 PHE CB C 13 39.035 0.065 . . . . . A 25 PHE CB . 25663 1 291 . 1 1 25 25 PHE N N 15 124.937 0.031 . . . . . A 25 PHE N . 25663 1 292 . 1 1 26 26 GLU H H 1 7.359 0.008 . . . . . A 26 GLU H . 25663 1 293 . 1 1 26 26 GLU HA H 1 4.090 0.012 . . . . . A 26 GLU HA . 25663 1 294 . 1 1 26 26 GLU HB2 H 1 2.320 0.013 . . . . . A 26 GLU HB2 . 25663 1 295 . 1 1 26 26 GLU HB3 H 1 1.851 0.010 . . . . . A 26 GLU HB3 . 25663 1 296 . 1 1 26 26 GLU HG2 H 1 2.812 0.010 . . . . . A 26 GLU HG2 . 25663 1 297 . 1 1 26 26 GLU HG3 H 1 2.297 0.008 . . . . . A 26 GLU HG3 . 25663 1 298 . 1 1 26 26 GLU C C 13 175.712 0.000 . . . . . A 26 GLU C . 25663 1 299 . 1 1 26 26 GLU CA C 13 56.249 0.052 . . . . . A 26 GLU CA . 25663 1 300 . 1 1 26 26 GLU CB C 13 29.418 0.040 . . . . . A 26 GLU CB . 25663 1 301 . 1 1 26 26 GLU CG C 13 37.137 0.066 . . . . . A 26 GLU CG . 25663 1 302 . 1 1 26 26 GLU N N 15 114.486 0.038 . . . . . A 26 GLU N . 25663 1 303 . 1 1 27 27 GLY H H 1 7.695 0.004 . . . . . A 27 GLY H . 25663 1 304 . 1 1 27 27 GLY HA2 H 1 3.697 0.004 . . . . . A 27 GLY HA2 . 25663 1 305 . 1 1 27 27 GLY HA3 H 1 4.219 0.004 . . . . . A 27 GLY HA3 . 25663 1 306 . 1 1 27 27 GLY C C 13 174.107 0.000 . . . . . A 27 GLY C . 25663 1 307 . 1 1 27 27 GLY CA C 13 45.426 0.067 . . . . . A 27 GLY CA . 25663 1 308 . 1 1 27 27 GLY N N 15 106.503 0.039 . . . . . A 27 GLY N . 25663 1 309 . 1 1 28 28 GLY H H 1 7.745 0.005 . . . . . A 28 GLY H . 25663 1 310 . 1 1 28 28 GLY HA2 H 1 3.933 0.010 . . . . . A 28 GLY HA2 . 25663 1 311 . 1 1 28 28 GLY HA3 H 1 4.489 0.004 . . . . . A 28 GLY HA3 . 25663 1 312 . 1 1 28 28 GLY C C 13 172.079 0.000 . . . . . A 28 GLY C . 25663 1 313 . 1 1 28 28 GLY CA C 13 43.788 0.051 . . . . . A 28 GLY CA . 25663 1 314 . 1 1 28 28 GLY N N 15 109.515 0.051 . . . . . A 28 GLY N . 25663 1 315 . 1 1 29 29 HIS H H 1 8.412 0.010 . . . . . A 29 HIS H . 25663 1 316 . 1 1 29 29 HIS HA H 1 4.865 0.012 . . . . . A 29 HIS HA . 25663 1 317 . 1 1 29 29 HIS HB2 H 1 3.607 0.007 . . . . . A 29 HIS HB2 . 25663 1 318 . 1 1 29 29 HIS HB3 H 1 2.996 0.009 . . . . . A 29 HIS HB3 . 25663 1 319 . 1 1 29 29 HIS HD2 H 1 7.344 0.011 . . . . . A 29 HIS HD2 . 25663 1 320 . 1 1 29 29 HIS HE1 H 1 8.388 0.000 . . . . . A 29 HIS HE1 . 25663 1 321 . 1 1 29 29 HIS C C 13 174.118 0.000 . . . . . A 29 HIS C . 25663 1 322 . 1 1 29 29 HIS CA C 13 54.169 0.062 . . . . . A 29 HIS CA . 25663 1 323 . 1 1 29 29 HIS CB C 13 33.436 0.077 . . . . . A 29 HIS CB . 25663 1 324 . 1 1 29 29 HIS N N 15 116.220 0.027 . . . . . A 29 HIS N . 25663 1 325 . 1 1 30 30 LEU H H 1 9.399 0.009 . . . . . A 30 LEU H . 25663 1 326 . 1 1 30 30 LEU HA H 1 4.912 0.006 . . . . . A 30 LEU HA . 25663 1 327 . 1 1 30 30 LEU HB2 H 1 1.731 0.007 . . . . . A 30 LEU HB2 . 25663 1 328 . 1 1 30 30 LEU HB3 H 1 1.416 0.006 . . . . . A 30 LEU HB3 . 25663 1 329 . 1 1 30 30 LEU HG H 1 1.503 0.017 . . . . . A 30 LEU HG . 25663 1 330 . 1 1 30 30 LEU HD11 H 1 0.791 0.024 . . . . . A 30 LEU HD11 . 25663 1 331 . 1 1 30 30 LEU HD12 H 1 0.791 0.024 . . . . . A 30 LEU HD12 . 25663 1 332 . 1 1 30 30 LEU HD13 H 1 0.791 0.024 . . . . . A 30 LEU HD13 . 25663 1 333 . 1 1 30 30 LEU HD21 H 1 0.869 0.017 . . . . . A 30 LEU HD21 . 25663 1 334 . 1 1 30 30 LEU HD22 H 1 0.869 0.017 . . . . . A 30 LEU HD22 . 25663 1 335 . 1 1 30 30 LEU HD23 H 1 0.869 0.017 . . . . . A 30 LEU HD23 . 25663 1 336 . 1 1 30 30 LEU C C 13 178.158 0.000 . . . . . A 30 LEU C . 25663 1 337 . 1 1 30 30 LEU CA C 13 56.817 0.035 . . . . . A 30 LEU CA . 25663 1 338 . 1 1 30 30 LEU CB C 13 42.534 0.047 . . . . . A 30 LEU CB . 25663 1 339 . 1 1 30 30 LEU CG C 13 27.956 0.087 . . . . . A 30 LEU CG . 25663 1 340 . 1 1 30 30 LEU CD1 C 13 27.142 0.141 . . . . . A 30 LEU CD1 . 25663 1 341 . 1 1 30 30 LEU CD2 C 13 23.979 0.025 . . . . . A 30 LEU CD2 . 25663 1 342 . 1 1 30 30 LEU N N 15 124.046 0.018 . . . . . A 30 LEU N . 25663 1 343 . 1 1 31 31 ALA H H 1 9.331 0.012 . . . . . A 31 ALA H . 25663 1 344 . 1 1 31 31 ALA HA H 1 4.403 0.012 . . . . . A 31 ALA HA . 25663 1 345 . 1 1 31 31 ALA HB1 H 1 1.243 0.014 . . . . . A 31 ALA HB1 . 25663 1 346 . 1 1 31 31 ALA HB2 H 1 1.243 0.014 . . . . . A 31 ALA HB2 . 25663 1 347 . 1 1 31 31 ALA HB3 H 1 1.243 0.014 . . . . . A 31 ALA HB3 . 25663 1 348 . 1 1 31 31 ALA C C 13 176.879 0.000 . . . . . A 31 ALA C . 25663 1 349 . 1 1 31 31 ALA CA C 13 52.006 0.086 . . . . . A 31 ALA CA . 25663 1 350 . 1 1 31 31 ALA CB C 13 19.593 0.066 . . . . . A 31 ALA CB . 25663 1 351 . 1 1 31 31 ALA N N 15 126.730 0.032 . . . . . A 31 ALA N . 25663 1 352 . 1 1 32 32 THR H H 1 8.511 0.006 . . . . . A 32 THR H . 25663 1 353 . 1 1 32 32 THR HA H 1 4.528 0.005 . . . . . A 32 THR HA . 25663 1 354 . 1 1 32 32 THR HB H 1 4.744 0.032 . . . . . A 32 THR HB . 25663 1 355 . 1 1 32 32 THR HG1 H 1 5.475 0.000 . . . . . A 32 THR HG1 . 25663 1 356 . 1 1 32 32 THR HG21 H 1 1.137 0.008 . . . . . A 32 THR HG21 . 25663 1 357 . 1 1 32 32 THR HG22 H 1 1.137 0.008 . . . . . A 32 THR HG22 . 25663 1 358 . 1 1 32 32 THR HG23 H 1 1.137 0.008 . . . . . A 32 THR HG23 . 25663 1 359 . 1 1 32 32 THR C C 13 174.899 0.000 . . . . . A 32 THR C . 25663 1 360 . 1 1 32 32 THR CA C 13 59.818 0.054 . . . . . A 32 THR CA . 25663 1 361 . 1 1 32 32 THR CB C 13 70.949 0.041 . . . . . A 32 THR CB . 25663 1 362 . 1 1 32 32 THR CG2 C 13 21.697 0.008 . . . . . A 32 THR CG2 . 25663 1 363 . 1 1 32 32 THR N N 15 111.206 0.023 . . . . . A 32 THR N . 25663 1 364 . 1 1 33 33 TYR H H 1 8.623 0.013 . . . . . A 33 TYR H . 25663 1 365 . 1 1 33 33 TYR HA H 1 3.745 0.006 . . . . . A 33 TYR HA . 25663 1 366 . 1 1 33 33 TYR HB2 H 1 3.037 0.009 . . . . . A 33 TYR HB2 . 25663 1 367 . 1 1 33 33 TYR HB3 H 1 2.721 0.004 . . . . . A 33 TYR HB3 . 25663 1 368 . 1 1 33 33 TYR HD1 H 1 6.650 0.019 . . . . . A 33 TYR HD1 . 25663 1 369 . 1 1 33 33 TYR HD2 H 1 6.650 0.019 . . . . . A 33 TYR HD2 . 25663 1 370 . 1 1 33 33 TYR HE1 H 1 6.568 0.005 . . . . . A 33 TYR HE1 . 25663 1 371 . 1 1 33 33 TYR HE2 H 1 6.568 0.005 . . . . . A 33 TYR HE2 . 25663 1 372 . 1 1 33 33 TYR C C 13 176.176 0.000 . . . . . A 33 TYR C . 25663 1 373 . 1 1 33 33 TYR CA C 13 62.320 0.064 . . . . . A 33 TYR CA . 25663 1 374 . 1 1 33 33 TYR CB C 13 38.737 0.061 . . . . . A 33 TYR CB . 25663 1 375 . 1 1 33 33 TYR N N 15 121.971 0.017 . . . . . A 33 TYR N . 25663 1 376 . 1 1 34 34 LYS H H 1 8.284 0.011 . . . . . A 34 LYS H . 25663 1 377 . 1 1 34 34 LYS HA H 1 3.905 0.007 . . . . . A 34 LYS HA . 25663 1 378 . 1 1 34 34 LYS HB2 H 1 1.736 0.033 . . . . . A 34 LYS HB2 . 25663 1 379 . 1 1 34 34 LYS HB3 H 1 1.677 0.017 . . . . . A 34 LYS HB3 . 25663 1 380 . 1 1 34 34 LYS HG2 H 1 1.574 0.003 . . . . . A 34 LYS HG2 . 25663 1 381 . 1 1 34 34 LYS HG3 H 1 1.389 0.009 . . . . . A 34 LYS HG3 . 25663 1 382 . 1 1 34 34 LYS HD2 H 1 1.652 0.002 . . . . . A 34 LYS HD2 . 25663 1 383 . 1 1 34 34 LYS HD3 H 1 1.651 0.001 . . . . . A 34 LYS HD3 . 25663 1 384 . 1 1 34 34 LYS HE2 H 1 2.956 0.006 . . . . . A 34 LYS HE2 . 25663 1 385 . 1 1 34 34 LYS HE3 H 1 2.956 0.006 . . . . . A 34 LYS HE3 . 25663 1 386 . 1 1 34 34 LYS C C 13 180.207 0.000 . . . . . A 34 LYS C . 25663 1 387 . 1 1 34 34 LYS CA C 13 59.854 0.085 . . . . . A 34 LYS CA . 25663 1 388 . 1 1 34 34 LYS CB C 13 32.743 0.072 . . . . . A 34 LYS CB . 25663 1 389 . 1 1 34 34 LYS CG C 13 25.838 0.065 . . . . . A 34 LYS CG . 25663 1 390 . 1 1 34 34 LYS CD C 13 29.256 0.037 . . . . . A 34 LYS CD . 25663 1 391 . 1 1 34 34 LYS N N 15 116.509 0.030 . . . . . A 34 LYS N . 25663 1 392 . 1 1 35 35 GLN H H 1 7.747 0.009 . . . . . A 35 GLN H . 25663 1 393 . 1 1 35 35 GLN HA H 1 3.822 0.009 . . . . . A 35 GLN HA . 25663 1 394 . 1 1 35 35 GLN HB2 H 1 2.173 0.008 . . . . . A 35 GLN HB2 . 25663 1 395 . 1 1 35 35 GLN HB3 H 1 1.419 0.006 . . . . . A 35 GLN HB3 . 25663 1 396 . 1 1 35 35 GLN HG2 H 1 1.954 0.026 . . . . . A 35 GLN HG2 . 25663 1 397 . 1 1 35 35 GLN HG3 H 1 1.875 0.014 . . . . . A 35 GLN HG3 . 25663 1 398 . 1 1 35 35 GLN HE21 H 1 6.697 0.026 . . . . . A 35 GLN HE21 . 25663 1 399 . 1 1 35 35 GLN HE22 H 1 5.303 0.013 . . . . . A 35 GLN HE22 . 25663 1 400 . 1 1 35 35 GLN C C 13 179.050 0.000 . . . . . A 35 GLN C . 25663 1 401 . 1 1 35 35 GLN CA C 13 58.402 0.049 . . . . . A 35 GLN CA . 25663 1 402 . 1 1 35 35 GLN CB C 13 26.715 0.074 . . . . . A 35 GLN CB . 25663 1 403 . 1 1 35 35 GLN CG C 13 33.446 0.068 . . . . . A 35 GLN CG . 25663 1 404 . 1 1 35 35 GLN N N 15 119.270 0.014 . . . . . A 35 GLN N . 25663 1 405 . 1 1 35 35 GLN NE2 N 15 107.221 0.049 . . . . . A 35 GLN NE2 . 25663 1 406 . 1 1 36 36 LEU H H 1 8.473 0.009 . . . . . A 36 LEU H . 25663 1 407 . 1 1 36 36 LEU HA H 1 3.891 0.008 . . . . . A 36 LEU HA . 25663 1 408 . 1 1 36 36 LEU HB2 H 1 1.666 0.009 . . . . . A 36 LEU HB2 . 25663 1 409 . 1 1 36 36 LEU HB3 H 1 1.131 0.014 . . . . . A 36 LEU HB3 . 25663 1 410 . 1 1 36 36 LEU HG H 1 1.177 0.013 . . . . . A 36 LEU HG . 25663 1 411 . 1 1 36 36 LEU HD11 H 1 0.221 0.009 . . . . . A 36 LEU HD11 . 25663 1 412 . 1 1 36 36 LEU HD12 H 1 0.221 0.009 . . . . . A 36 LEU HD12 . 25663 1 413 . 1 1 36 36 LEU HD13 H 1 0.221 0.009 . . . . . A 36 LEU HD13 . 25663 1 414 . 1 1 36 36 LEU HD21 H 1 0.597 0.016 . . . . . A 36 LEU HD21 . 25663 1 415 . 1 1 36 36 LEU HD22 H 1 0.597 0.016 . . . . . A 36 LEU HD22 . 25663 1 416 . 1 1 36 36 LEU HD23 H 1 0.597 0.016 . . . . . A 36 LEU HD23 . 25663 1 417 . 1 1 36 36 LEU C C 13 177.812 0.000 . . . . . A 36 LEU C . 25663 1 418 . 1 1 36 36 LEU CA C 13 58.166 0.064 . . . . . A 36 LEU CA . 25663 1 419 . 1 1 36 36 LEU CB C 13 41.981 0.055 . . . . . A 36 LEU CB . 25663 1 420 . 1 1 36 36 LEU CG C 13 27.125 0.024 . . . . . A 36 LEU CG . 25663 1 421 . 1 1 36 36 LEU CD1 C 13 25.959 0.046 . . . . . A 36 LEU CD1 . 25663 1 422 . 1 1 36 36 LEU CD2 C 13 24.982 0.067 . . . . . A 36 LEU CD2 . 25663 1 423 . 1 1 36 36 LEU N N 15 122.992 0.014 . . . . . A 36 LEU N . 25663 1 424 . 1 1 37 37 GLU H H 1 8.526 0.014 . . . . . A 37 GLU H . 25663 1 425 . 1 1 37 37 GLU HA H 1 4.244 0.011 . . . . . A 37 GLU HA . 25663 1 426 . 1 1 37 37 GLU HB2 H 1 1.787 0.006 . . . . . A 37 GLU HB2 . 25663 1 427 . 1 1 37 37 GLU HB3 H 1 1.660 0.016 . . . . . A 37 GLU HB3 . 25663 1 428 . 1 1 37 37 GLU HG2 H 1 2.279 0.018 . . . . . A 37 GLU HG2 . 25663 1 429 . 1 1 37 37 GLU HG3 H 1 1.984 0.014 . . . . . A 37 GLU HG3 . 25663 1 430 . 1 1 37 37 GLU C C 13 177.984 0.000 . . . . . A 37 GLU C . 25663 1 431 . 1 1 37 37 GLU CA C 13 58.018 0.118 . . . . . A 37 GLU CA . 25663 1 432 . 1 1 37 37 GLU CB C 13 28.236 0.083 . . . . . A 37 GLU CB . 25663 1 433 . 1 1 37 37 GLU CG C 13 34.913 0.102 . . . . . A 37 GLU CG . 25663 1 434 . 1 1 37 37 GLU N N 15 120.512 0.043 . . . . . A 37 GLU N . 25663 1 435 . 1 1 38 38 ALA H H 1 7.806 0.008 . . . . . A 38 ALA H . 25663 1 436 . 1 1 38 38 ALA HA H 1 3.995 0.009 . . . . . A 38 ALA HA . 25663 1 437 . 1 1 38 38 ALA HB1 H 1 1.418 0.005 . . . . . A 38 ALA HB1 . 25663 1 438 . 1 1 38 38 ALA HB2 H 1 1.418 0.005 . . . . . A 38 ALA HB2 . 25663 1 439 . 1 1 38 38 ALA HB3 H 1 1.418 0.005 . . . . . A 38 ALA HB3 . 25663 1 440 . 1 1 38 38 ALA C C 13 180.513 0.000 . . . . . A 38 ALA C . 25663 1 441 . 1 1 38 38 ALA CA C 13 54.968 0.033 . . . . . A 38 ALA CA . 25663 1 442 . 1 1 38 38 ALA CB C 13 17.792 0.058 . . . . . A 38 ALA CB . 25663 1 443 . 1 1 38 38 ALA N N 15 121.256 0.016 . . . . . A 38 ALA N . 25663 1 444 . 1 1 39 39 ALA H H 1 7.495 0.011 . . . . . A 39 ALA H . 25663 1 445 . 1 1 39 39 ALA HA H 1 4.164 0.016 . . . . . A 39 ALA HA . 25663 1 446 . 1 1 39 39 ALA HB1 H 1 1.336 0.018 . . . . . A 39 ALA HB1 . 25663 1 447 . 1 1 39 39 ALA HB2 H 1 1.336 0.018 . . . . . A 39 ALA HB2 . 25663 1 448 . 1 1 39 39 ALA HB3 H 1 1.336 0.018 . . . . . A 39 ALA HB3 . 25663 1 449 . 1 1 39 39 ALA C C 13 180.063 0.000 . . . . . A 39 ALA C . 25663 1 450 . 1 1 39 39 ALA CA C 13 54.064 0.057 . . . . . A 39 ALA CA . 25663 1 451 . 1 1 39 39 ALA CB C 13 17.883 0.055 . . . . . A 39 ALA CB . 25663 1 452 . 1 1 39 39 ALA N N 15 120.185 0.014 . . . . . A 39 ALA N . 25663 1 453 . 1 1 40 40 ARG H H 1 8.789 0.007 . . . . . A 40 ARG H . 25663 1 454 . 1 1 40 40 ARG HA H 1 4.658 0.008 . . . . . A 40 ARG HA . 25663 1 455 . 1 1 40 40 ARG HB2 H 1 2.036 0.024 . . . . . A 40 ARG HB2 . 25663 1 456 . 1 1 40 40 ARG HB3 H 1 1.669 0.011 . . . . . A 40 ARG HB3 . 25663 1 457 . 1 1 40 40 ARG HG2 H 1 1.647 0.008 . . . . . A 40 ARG HG2 . 25663 1 458 . 1 1 40 40 ARG HG3 H 1 1.424 0.000 . . . . . A 40 ARG HG3 . 25663 1 459 . 1 1 40 40 ARG HD2 H 1 3.418 0.006 . . . . . A 40 ARG HD2 . 25663 1 460 . 1 1 40 40 ARG HD3 H 1 2.334 0.010 . . . . . A 40 ARG HD3 . 25663 1 461 . 1 1 40 40 ARG HE H 1 9.454 0.009 . . . . . A 40 ARG HE . 25663 1 462 . 1 1 40 40 ARG C C 13 180.610 0.000 . . . . . A 40 ARG C . 25663 1 463 . 1 1 40 40 ARG CA C 13 58.559 0.083 . . . . . A 40 ARG CA . 25663 1 464 . 1 1 40 40 ARG CB C 13 30.707 0.112 . . . . . A 40 ARG CB . 25663 1 465 . 1 1 40 40 ARG CD C 13 42.270 0.065 . . . . . A 40 ARG CD . 25663 1 466 . 1 1 40 40 ARG N N 15 124.604 0.026 . . . . . A 40 ARG N . 25663 1 467 . 1 1 41 41 LYS H H 1 8.267 0.006 . . . . . A 41 LYS H . 25663 1 468 . 1 1 41 41 LYS HA H 1 3.925 0.017 . . . . . A 41 LYS HA . 25663 1 469 . 1 1 41 41 LYS HB2 H 1 1.937 0.020 . . . . . A 41 LYS HB2 . 25663 1 470 . 1 1 41 41 LYS HB3 H 1 1.872 0.009 . . . . . A 41 LYS HB3 . 25663 1 471 . 1 1 41 41 LYS HG2 H 1 1.729 0.009 . . . . . A 41 LYS HG2 . 25663 1 472 . 1 1 41 41 LYS HG3 H 1 1.388 0.011 . . . . . A 41 LYS HG3 . 25663 1 473 . 1 1 41 41 LYS HD2 H 1 1.665 0.005 . . . . . A 41 LYS HD2 . 25663 1 474 . 1 1 41 41 LYS HD3 H 1 1.662 0.000 . . . . . A 41 LYS HD3 . 25663 1 475 . 1 1 41 41 LYS HE2 H 1 2.948 0.018 . . . . . A 41 LYS HE2 . 25663 1 476 . 1 1 41 41 LYS HE3 H 1 2.948 0.018 . . . . . A 41 LYS HE3 . 25663 1 477 . 1 1 41 41 LYS C C 13 178.134 0.000 . . . . . A 41 LYS C . 25663 1 478 . 1 1 41 41 LYS CA C 13 59.409 0.074 . . . . . A 41 LYS CA . 25663 1 479 . 1 1 41 41 LYS CB C 13 32.786 0.079 . . . . . A 41 LYS CB . 25663 1 480 . 1 1 41 41 LYS CG C 13 26.082 0.060 . . . . . A 41 LYS CG . 25663 1 481 . 1 1 41 41 LYS CD C 13 29.856 0.000 . . . . . A 41 LYS CD . 25663 1 482 . 1 1 41 41 LYS CE C 13 41.996 0.000 . . . . . A 41 LYS CE . 25663 1 483 . 1 1 41 41 LYS N N 15 117.810 0.024 . . . . . A 41 LYS N . 25663 1 484 . 1 1 42 42 ILE H H 1 7.263 0.005 . . . . . A 42 ILE H . 25663 1 485 . 1 1 42 42 ILE HA H 1 4.581 0.008 . . . . . A 42 ILE HA . 25663 1 486 . 1 1 42 42 ILE HB H 1 2.280 0.015 . . . . . A 42 ILE HB . 25663 1 487 . 1 1 42 42 ILE HG12 H 1 1.584 0.012 . . . . . A 42 ILE HG12 . 25663 1 488 . 1 1 42 42 ILE HG13 H 1 1.406 0.015 . . . . . A 42 ILE HG13 . 25663 1 489 . 1 1 42 42 ILE HG21 H 1 0.927 0.007 . . . . . A 42 ILE HG21 . 25663 1 490 . 1 1 42 42 ILE HG22 H 1 0.927 0.007 . . . . . A 42 ILE HG22 . 25663 1 491 . 1 1 42 42 ILE HG23 H 1 0.927 0.007 . . . . . A 42 ILE HG23 . 25663 1 492 . 1 1 42 42 ILE HD11 H 1 0.896 0.011 . . . . . A 42 ILE HD11 . 25663 1 493 . 1 1 42 42 ILE HD12 H 1 0.896 0.011 . . . . . A 42 ILE HD12 . 25663 1 494 . 1 1 42 42 ILE HD13 H 1 0.896 0.011 . . . . . A 42 ILE HD13 . 25663 1 495 . 1 1 42 42 ILE C C 13 176.527 0.000 . . . . . A 42 ILE C . 25663 1 496 . 1 1 42 42 ILE CA C 13 60.751 0.070 . . . . . A 42 ILE CA . 25663 1 497 . 1 1 42 42 ILE CB C 13 37.739 0.043 . . . . . A 42 ILE CB . 25663 1 498 . 1 1 42 42 ILE CG1 C 13 27.270 0.063 . . . . . A 42 ILE CG1 . 25663 1 499 . 1 1 42 42 ILE CG2 C 13 18.548 0.067 . . . . . A 42 ILE CG2 . 25663 1 500 . 1 1 42 42 ILE CD1 C 13 14.393 0.035 . . . . . A 42 ILE CD1 . 25663 1 501 . 1 1 42 42 ILE N N 15 110.889 0.016 . . . . . A 42 ILE N . 25663 1 502 . 1 1 43 43 GLY H H 1 7.816 0.006 . . . . . A 43 GLY H . 25663 1 503 . 1 1 43 43 GLY HA2 H 1 3.544 0.007 . . . . . A 43 GLY HA2 . 25663 1 504 . 1 1 43 43 GLY HA3 H 1 4.565 0.009 . . . . . A 43 GLY HA3 . 25663 1 505 . 1 1 43 43 GLY C C 13 173.880 0.000 . . . . . A 43 GLY C . 25663 1 506 . 1 1 43 43 GLY CA C 13 45.585 0.035 . . . . . A 43 GLY CA . 25663 1 507 . 1 1 43 43 GLY N N 15 108.366 0.011 . . . . . A 43 GLY N . 25663 1 508 . 1 1 44 44 PHE H H 1 8.003 0.015 . . . . . A 44 PHE H . 25663 1 509 . 1 1 44 44 PHE HA H 1 4.510 0.008 . . . . . A 44 PHE HA . 25663 1 510 . 1 1 44 44 PHE HB2 H 1 2.974 0.010 . . . . . A 44 PHE HB2 . 25663 1 511 . 1 1 44 44 PHE HB3 H 1 2.384 0.006 . . . . . A 44 PHE HB3 . 25663 1 512 . 1 1 44 44 PHE HD1 H 1 7.090 0.015 . . . . . A 44 PHE HD1 . 25663 1 513 . 1 1 44 44 PHE HD2 H 1 7.090 0.015 . . . . . A 44 PHE HD2 . 25663 1 514 . 1 1 44 44 PHE HE1 H 1 7.311 0.006 . . . . . A 44 PHE HE1 . 25663 1 515 . 1 1 44 44 PHE HE2 H 1 7.311 0.006 . . . . . A 44 PHE HE2 . 25663 1 516 . 1 1 44 44 PHE HZ H 1 7.354 0.000 . . . . . A 44 PHE HZ . 25663 1 517 . 1 1 44 44 PHE C C 13 171.183 0.000 . . . . . A 44 PHE C . 25663 1 518 . 1 1 44 44 PHE CA C 13 59.012 0.046 . . . . . A 44 PHE CA . 25663 1 519 . 1 1 44 44 PHE CB C 13 39.986 0.116 . . . . . A 44 PHE CB . 25663 1 520 . 1 1 44 44 PHE N N 15 125.650 0.033 . . . . . A 44 PHE N . 25663 1 521 . 1 1 45 45 HIS H H 1 7.326 0.012 . . . . . A 45 HIS H . 25663 1 522 . 1 1 45 45 HIS HA H 1 4.728 0.002 . . . . . A 45 HIS HA . 25663 1 523 . 1 1 45 45 HIS HB2 H 1 2.956 0.009 . . . . . A 45 HIS HB2 . 25663 1 524 . 1 1 45 45 HIS HB3 H 1 2.707 0.020 . . . . . A 45 HIS HB3 . 25663 1 525 . 1 1 45 45 HIS HD2 H 1 6.844 0.002 . . . . . A 45 HIS HD2 . 25663 1 526 . 1 1 45 45 HIS HE1 H 1 8.104 0.019 . . . . . A 45 HIS HE1 . 25663 1 527 . 1 1 45 45 HIS C C 13 175.134 0.000 . . . . . A 45 HIS C . 25663 1 528 . 1 1 45 45 HIS CA C 13 55.539 0.262 . . . . . A 45 HIS CA . 25663 1 529 . 1 1 45 45 HIS CB C 13 34.586 0.081 . . . . . A 45 HIS CB . 25663 1 530 . 1 1 45 45 HIS N N 15 126.999 0.062 . . . . . A 45 HIS N . 25663 1 531 . 1 1 46 46 VAL H H 1 8.147 0.012 . . . . . A 46 VAL H . 25663 1 532 . 1 1 46 46 VAL HA H 1 3.665 0.005 . . . . . A 46 VAL HA . 25663 1 533 . 1 1 46 46 VAL HB H 1 2.312 0.008 . . . . . A 46 VAL HB . 25663 1 534 . 1 1 46 46 VAL HG11 H 1 0.309 0.015 . . . . . A 46 VAL HG11 . 25663 1 535 . 1 1 46 46 VAL HG12 H 1 0.309 0.015 . . . . . A 46 VAL HG12 . 25663 1 536 . 1 1 46 46 VAL HG13 H 1 0.309 0.015 . . . . . A 46 VAL HG13 . 25663 1 537 . 1 1 46 46 VAL HG21 H 1 0.165 0.013 . . . . . A 46 VAL HG21 . 25663 1 538 . 1 1 46 46 VAL HG22 H 1 0.165 0.013 . . . . . A 46 VAL HG22 . 25663 1 539 . 1 1 46 46 VAL HG23 H 1 0.165 0.013 . . . . . A 46 VAL HG23 . 25663 1 540 . 1 1 46 46 VAL CA C 13 61.647 0.019 . . . . . A 46 VAL CA . 25663 1 541 . 1 1 46 46 VAL CB C 13 35.141 0.057 . . . . . A 46 VAL CB . 25663 1 542 . 1 1 46 46 VAL CG1 C 13 22.170 0.087 . . . . . A 46 VAL CG1 . 25663 1 543 . 1 1 46 46 VAL CG2 C 13 21.577 0.049 . . . . . A 46 VAL CG2 . 25663 1 544 . 1 1 46 46 VAL N N 15 126.425 0.072 . . . . . A 46 VAL N . 25663 1 545 . 1 1 47 47 CYS H H 1 8.675 0.024 . . . . . A 47 CYS H . 25663 1 546 . 1 1 47 47 CYS HA H 1 4.470 0.008 . . . . . A 47 CYS HA . 25663 1 547 . 1 1 47 47 CYS HB2 H 1 3.557 0.018 . . . . . A 47 CYS HB2 . 25663 1 548 . 1 1 47 47 CYS HB3 H 1 2.217 0.003 . . . . . A 47 CYS HB3 . 25663 1 549 . 1 1 47 47 CYS C C 13 172.533 0.000 . . . . . A 47 CYS C . 25663 1 550 . 1 1 47 47 CYS CA C 13 55.259 0.075 . . . . . A 47 CYS CA . 25663 1 551 . 1 1 47 47 CYS CB C 13 44.867 0.132 . . . . . A 47 CYS CB . 25663 1 552 . 1 1 47 47 CYS N N 15 127.308 0.065 . . . . . A 47 CYS N . 25663 1 553 . 1 1 48 48 ALA H H 1 6.500 0.015 . . . . . A 48 ALA H . 25663 1 554 . 1 1 48 48 ALA HA H 1 4.278 0.004 . . . . . A 48 ALA HA . 25663 1 555 . 1 1 48 48 ALA HB1 H 1 1.000 0.009 . . . . . A 48 ALA HB1 . 25663 1 556 . 1 1 48 48 ALA HB2 H 1 1.000 0.009 . . . . . A 48 ALA HB2 . 25663 1 557 . 1 1 48 48 ALA HB3 H 1 1.000 0.009 . . . . . A 48 ALA HB3 . 25663 1 558 . 1 1 48 48 ALA C C 13 173.936 0.000 . . . . . A 48 ALA C . 25663 1 559 . 1 1 48 48 ALA CA C 13 51.286 0.037 . . . . . A 48 ALA CA . 25663 1 560 . 1 1 48 48 ALA CB C 13 19.831 0.063 . . . . . A 48 ALA CB . 25663 1 561 . 1 1 48 48 ALA N N 15 120.376 0.040 . . . . . A 48 ALA N . 25663 1 562 . 1 1 49 49 ALA H H 1 8.424 0.019 . . . . . A 49 ALA H . 25663 1 563 . 1 1 49 49 ALA HA H 1 3.834 0.011 . . . . . A 49 ALA HA . 25663 1 564 . 1 1 49 49 ALA HB1 H 1 0.576 0.018 . . . . . A 49 ALA HB1 . 25663 1 565 . 1 1 49 49 ALA HB2 H 1 0.576 0.018 . . . . . A 49 ALA HB2 . 25663 1 566 . 1 1 49 49 ALA HB3 H 1 0.576 0.018 . . . . . A 49 ALA HB3 . 25663 1 567 . 1 1 49 49 ALA C C 13 176.061 0.000 . . . . . A 49 ALA C . 25663 1 568 . 1 1 49 49 ALA CA C 13 53.466 0.023 . . . . . A 49 ALA CA . 25663 1 569 . 1 1 49 49 ALA CB C 13 18.332 0.082 . . . . . A 49 ALA CB . 25663 1 570 . 1 1 49 49 ALA N N 15 130.715 0.033 . . . . . A 49 ALA N . 25663 1 571 . 1 1 50 50 GLY H H 1 8.746 0.011 . . . . . A 50 GLY H . 25663 1 572 . 1 1 50 50 GLY HA2 H 1 3.456 0.017 . . . . . A 50 GLY HA2 . 25663 1 573 . 1 1 50 50 GLY HA3 H 1 4.517 0.006 . . . . . A 50 GLY HA3 . 25663 1 574 . 1 1 50 50 GLY C C 13 170.793 0.000 . . . . . A 50 GLY C . 25663 1 575 . 1 1 50 50 GLY CA C 13 43.792 0.037 . . . . . A 50 GLY CA . 25663 1 576 . 1 1 50 50 GLY N N 15 107.085 0.020 . . . . . A 50 GLY N . 25663 1 577 . 1 1 51 51 TRP H H 1 8.596 0.005 . . . . . A 51 TRP H . 25663 1 578 . 1 1 51 51 TRP HA H 1 4.960 0.005 . . . . . A 51 TRP HA . 25663 1 579 . 1 1 51 51 TRP HB2 H 1 3.519 0.006 . . . . . A 51 TRP HB2 . 25663 1 580 . 1 1 51 51 TRP HB3 H 1 3.047 0.011 . . . . . A 51 TRP HB3 . 25663 1 581 . 1 1 51 51 TRP HD1 H 1 7.365 0.006 . . . . . A 51 TRP HD1 . 25663 1 582 . 1 1 51 51 TRP HE1 H 1 10.287 0.009 . . . . . A 51 TRP HE1 . 25663 1 583 . 1 1 51 51 TRP HE3 H 1 7.662 0.009 . . . . . A 51 TRP HE3 . 25663 1 584 . 1 1 51 51 TRP HZ2 H 1 8.139 0.011 . . . . . A 51 TRP HZ2 . 25663 1 585 . 1 1 51 51 TRP HH2 H 1 7.394 0.000 . . . . . A 51 TRP HH2 . 25663 1 586 . 1 1 51 51 TRP C C 13 174.095 0.000 . . . . . A 51 TRP C . 25663 1 587 . 1 1 51 51 TRP CA C 13 58.852 0.058 . . . . . A 51 TRP CA . 25663 1 588 . 1 1 51 51 TRP CB C 13 32.034 0.039 . . . . . A 51 TRP CB . 25663 1 589 . 1 1 51 51 TRP N N 15 121.565 0.026 . . . . . A 51 TRP N . 25663 1 590 . 1 1 51 51 TRP NE1 N 15 131.345 0.023 . . . . . A 51 TRP NE1 . 25663 1 591 . 1 1 52 52 MET H H 1 9.116 0.007 . . . . . A 52 MET H . 25663 1 592 . 1 1 52 52 MET HA H 1 4.945 0.004 . . . . . A 52 MET HA . 25663 1 593 . 1 1 52 52 MET HB2 H 1 2.584 0.024 . . . . . A 52 MET HB2 . 25663 1 594 . 1 1 52 52 MET HB3 H 1 1.985 0.009 . . . . . A 52 MET HB3 . 25663 1 595 . 1 1 52 52 MET HG2 H 1 2.647 0.001 . . . . . A 52 MET HG2 . 25663 1 596 . 1 1 52 52 MET HG3 H 1 2.363 0.008 . . . . . A 52 MET HG3 . 25663 1 597 . 1 1 52 52 MET HE1 H 1 1.604 0.001 . . . . . A 52 MET HE1 . 25663 1 598 . 1 1 52 52 MET HE2 H 1 1.604 0.001 . . . . . A 52 MET HE2 . 25663 1 599 . 1 1 52 52 MET HE3 H 1 1.604 0.001 . . . . . A 52 MET HE3 . 25663 1 600 . 1 1 52 52 MET C C 13 174.575 0.000 . . . . . A 52 MET C . 25663 1 601 . 1 1 52 52 MET CA C 13 54.277 0.071 . . . . . A 52 MET CA . 25663 1 602 . 1 1 52 52 MET CB C 13 39.146 0.062 . . . . . A 52 MET CB . 25663 1 603 . 1 1 52 52 MET CG C 13 32.343 0.078 . . . . . A 52 MET CG . 25663 1 604 . 1 1 52 52 MET CE C 13 16.935 0.012 . . . . . A 52 MET CE . 25663 1 605 . 1 1 52 52 MET N N 15 118.713 0.016 . . . . . A 52 MET N . 25663 1 606 . 1 1 53 53 ALA H H 1 8.517 0.014 . . . . . A 53 ALA H . 25663 1 607 . 1 1 53 53 ALA HA H 1 4.186 0.010 . . . . . A 53 ALA HA . 25663 1 608 . 1 1 53 53 ALA HB1 H 1 1.349 0.011 . . . . . A 53 ALA HB1 . 25663 1 609 . 1 1 53 53 ALA HB2 H 1 1.349 0.011 . . . . . A 53 ALA HB2 . 25663 1 610 . 1 1 53 53 ALA HB3 H 1 1.349 0.011 . . . . . A 53 ALA HB3 . 25663 1 611 . 1 1 53 53 ALA C C 13 178.250 0.000 . . . . . A 53 ALA C . 25663 1 612 . 1 1 53 53 ALA CA C 13 53.791 0.063 . . . . . A 53 ALA CA . 25663 1 613 . 1 1 53 53 ALA CB C 13 19.462 0.068 . . . . . A 53 ALA CB . 25663 1 614 . 1 1 53 53 ALA N N 15 120.116 0.035 . . . . . A 53 ALA N . 25663 1 615 . 1 1 54 54 LYS H H 1 8.866 0.013 . . . . . A 54 LYS H . 25663 1 616 . 1 1 54 54 LYS HA H 1 3.857 0.009 . . . . . A 54 LYS HA . 25663 1 617 . 1 1 54 54 LYS HB2 H 1 2.275 0.009 . . . . . A 54 LYS HB2 . 25663 1 618 . 1 1 54 54 LYS HB3 H 1 1.992 0.012 . . . . . A 54 LYS HB3 . 25663 1 619 . 1 1 54 54 LYS HG2 H 1 1.449 0.009 . . . . . A 54 LYS HG2 . 25663 1 620 . 1 1 54 54 LYS HG3 H 1 1.409 0.013 . . . . . A 54 LYS HG3 . 25663 1 621 . 1 1 54 54 LYS HD2 H 1 1.696 0.008 . . . . . A 54 LYS HD2 . 25663 1 622 . 1 1 54 54 LYS HD3 H 1 1.701 0.000 . . . . . A 54 LYS HD3 . 25663 1 623 . 1 1 54 54 LYS HE2 H 1 2.987 0.012 . . . . . A 54 LYS HE2 . 25663 1 624 . 1 1 54 54 LYS HE3 H 1 2.987 0.012 . . . . . A 54 LYS HE3 . 25663 1 625 . 1 1 54 54 LYS C C 13 175.913 0.000 . . . . . A 54 LYS C . 25663 1 626 . 1 1 54 54 LYS CA C 13 57.608 0.036 . . . . . A 54 LYS CA . 25663 1 627 . 1 1 54 54 LYS CB C 13 29.796 0.081 . . . . . A 54 LYS CB . 25663 1 628 . 1 1 54 54 LYS CG C 13 25.527 0.033 . . . . . A 54 LYS CG . 25663 1 629 . 1 1 54 54 LYS CD C 13 29.096 0.057 . . . . . A 54 LYS CD . 25663 1 630 . 1 1 54 54 LYS CE C 13 42.088 0.000 . . . . . A 54 LYS CE . 25663 1 631 . 1 1 54 54 LYS N N 15 112.641 0.032 . . . . . A 54 LYS N . 25663 1 632 . 1 1 55 55 GLY H H 1 8.239 0.010 . . . . . A 55 GLY H . 25663 1 633 . 1 1 55 55 GLY HA2 H 1 3.684 0.004 . . . . . A 55 GLY HA2 . 25663 1 634 . 1 1 55 55 GLY HA3 H 1 3.939 0.012 . . . . . A 55 GLY HA3 . 25663 1 635 . 1 1 55 55 GLY C C 13 173.820 0.000 . . . . . A 55 GLY C . 25663 1 636 . 1 1 55 55 GLY CA C 13 45.933 0.061 . . . . . A 55 GLY CA . 25663 1 637 . 1 1 55 55 GLY N N 15 104.227 0.024 . . . . . A 55 GLY N . 25663 1 638 . 1 1 56 56 ARG H H 1 6.825 0.019 . . . . . A 56 ARG H . 25663 1 639 . 1 1 56 56 ARG HA H 1 4.771 0.009 . . . . . A 56 ARG HA . 25663 1 640 . 1 1 56 56 ARG HB2 H 1 1.697 0.006 . . . . . A 56 ARG HB2 . 25663 1 641 . 1 1 56 56 ARG HB3 H 1 1.635 0.011 . . . . . A 56 ARG HB3 . 25663 1 642 . 1 1 56 56 ARG HD2 H 1 3.245 0.008 . . . . . A 56 ARG HD2 . 25663 1 643 . 1 1 56 56 ARG HD3 H 1 3.032 0.009 . . . . . A 56 ARG HD3 . 25663 1 644 . 1 1 56 56 ARG HE H 1 7.835 0.014 . . . . . A 56 ARG HE . 25663 1 645 . 1 1 56 56 ARG C C 13 173.828 0.000 . . . . . A 56 ARG C . 25663 1 646 . 1 1 56 56 ARG CA C 13 55.010 0.088 . . . . . A 56 ARG CA . 25663 1 647 . 1 1 56 56 ARG CB C 13 31.939 0.093 . . . . . A 56 ARG CB . 25663 1 648 . 1 1 56 56 ARG CD C 13 43.469 0.066 . . . . . A 56 ARG CD . 25663 1 649 . 1 1 56 56 ARG N N 15 122.045 0.017 . . . . . A 56 ARG N . 25663 1 650 . 1 1 57 57 VAL H H 1 7.084 0.012 . . . . . A 57 VAL H . 25663 1 651 . 1 1 57 57 VAL HA H 1 4.632 0.007 . . . . . A 57 VAL HA . 25663 1 652 . 1 1 57 57 VAL HB H 1 0.822 0.010 . . . . . A 57 VAL HB . 25663 1 653 . 1 1 57 57 VAL HG11 H 1 -0.334 0.013 . . . . . A 57 VAL HG11 . 25663 1 654 . 1 1 57 57 VAL HG12 H 1 -0.334 0.013 . . . . . A 57 VAL HG12 . 25663 1 655 . 1 1 57 57 VAL HG13 H 1 -0.334 0.013 . . . . . A 57 VAL HG13 . 25663 1 656 . 1 1 57 57 VAL HG21 H 1 -0.938 0.012 . . . . . A 57 VAL HG21 . 25663 1 657 . 1 1 57 57 VAL HG22 H 1 -0.938 0.012 . . . . . A 57 VAL HG22 . 25663 1 658 . 1 1 57 57 VAL HG23 H 1 -0.938 0.012 . . . . . A 57 VAL HG23 . 25663 1 659 . 1 1 57 57 VAL C C 13 173.775 0.000 . . . . . A 57 VAL C . 25663 1 660 . 1 1 57 57 VAL CA C 13 59.946 0.024 . . . . . A 57 VAL CA . 25663 1 661 . 1 1 57 57 VAL CB C 13 35.191 0.064 . . . . . A 57 VAL CB . 25663 1 662 . 1 1 57 57 VAL CG1 C 13 24.297 0.067 . . . . . A 57 VAL CG1 . 25663 1 663 . 1 1 57 57 VAL CG2 C 13 21.299 0.055 . . . . . A 57 VAL CG2 . 25663 1 664 . 1 1 57 57 VAL N N 15 122.581 0.019 . . . . . A 57 VAL N . 25663 1 665 . 1 1 58 58 GLY H H 1 8.112 0.009 . . . . . A 58 GLY H . 25663 1 666 . 1 1 58 58 GLY HA2 H 1 3.633 0.004 . . . . . A 58 GLY HA2 . 25663 1 667 . 1 1 58 58 GLY HA3 H 1 3.855 0.006 . . . . . A 58 GLY HA3 . 25663 1 668 . 1 1 58 58 GLY C C 13 171.431 0.000 . . . . . A 58 GLY C . 25663 1 669 . 1 1 58 58 GLY CA C 13 46.285 0.088 . . . . . A 58 GLY CA . 25663 1 670 . 1 1 58 58 GLY N N 15 112.994 0.026 . . . . . A 58 GLY N . 25663 1 671 . 1 1 59 59 TYR H H 1 7.796 0.007 . . . . . A 59 TYR H . 25663 1 672 . 1 1 59 59 TYR HA H 1 4.337 0.017 . . . . . A 59 TYR HA . 25663 1 673 . 1 1 59 59 TYR HB2 H 1 3.647 0.007 . . . . . A 59 TYR HB2 . 25663 1 674 . 1 1 59 59 TYR HB3 H 1 3.148 0.008 . . . . . A 59 TYR HB3 . 25663 1 675 . 1 1 59 59 TYR HD1 H 1 6.466 0.000 . . . . . A 59 TYR HD1 . 25663 1 676 . 1 1 59 59 TYR HD2 H 1 6.466 0.000 . . . . . A 59 TYR HD2 . 25663 1 677 . 1 1 59 59 TYR HE1 H 1 6.626 0.000 . . . . . A 59 TYR HE1 . 25663 1 678 . 1 1 59 59 TYR HE2 H 1 6.626 0.000 . . . . . A 59 TYR HE2 . 25663 1 679 . 1 1 59 59 TYR CA C 13 55.972 0.000 . . . . . A 59 TYR CA . 25663 1 680 . 1 1 59 59 TYR CB C 13 34.363 0.051 . . . . . A 59 TYR CB . 25663 1 681 . 1 1 59 59 TYR N N 15 111.540 0.046 . . . . . A 59 TYR N . 25663 1 682 . 1 1 60 60 PRO HA H 1 4.497 0.009 . . . . . A 60 PRO HA . 25663 1 683 . 1 1 60 60 PRO HB2 H 1 1.834 0.007 . . . . . A 60 PRO HB2 . 25663 1 684 . 1 1 60 60 PRO HB3 H 1 1.600 0.007 . . . . . A 60 PRO HB3 . 25663 1 685 . 1 1 60 60 PRO HG2 H 1 1.795 0.011 . . . . . A 60 PRO HG2 . 25663 1 686 . 1 1 60 60 PRO HG3 H 1 1.795 0.011 . . . . . A 60 PRO HG3 . 25663 1 687 . 1 1 60 60 PRO HD2 H 1 3.704 0.000 . . . . . A 60 PRO HD2 . 25663 1 688 . 1 1 60 60 PRO HD3 H 1 3.655 0.009 . . . . . A 60 PRO HD3 . 25663 1 689 . 1 1 60 60 PRO CA C 13 62.231 0.016 . . . . . A 60 PRO CA . 25663 1 690 . 1 1 60 60 PRO CB C 13 33.314 0.061 . . . . . A 60 PRO CB . 25663 1 691 . 1 1 60 60 PRO CG C 13 26.678 0.080 . . . . . A 60 PRO CG . 25663 1 692 . 1 1 60 60 PRO CD C 13 50.569 0.065 . . . . . A 60 PRO CD . 25663 1 693 . 1 1 61 61 ILE HA H 1 4.444 0.014 . . . . . A 61 ILE HA . 25663 1 694 . 1 1 61 61 ILE HB H 1 2.023 0.013 . . . . . A 61 ILE HB . 25663 1 695 . 1 1 61 61 ILE HG12 H 1 1.331 0.010 . . . . . A 61 ILE HG12 . 25663 1 696 . 1 1 61 61 ILE HG13 H 1 1.331 0.010 . . . . . A 61 ILE HG13 . 25663 1 697 . 1 1 61 61 ILE HG21 H 1 0.969 0.006 . . . . . A 61 ILE HG21 . 25663 1 698 . 1 1 61 61 ILE HG22 H 1 0.969 0.006 . . . . . A 61 ILE HG22 . 25663 1 699 . 1 1 61 61 ILE HG23 H 1 0.969 0.006 . . . . . A 61 ILE HG23 . 25663 1 700 . 1 1 61 61 ILE HD11 H 1 0.533 0.005 . . . . . A 61 ILE HD11 . 25663 1 701 . 1 1 61 61 ILE HD12 H 1 0.533 0.005 . . . . . A 61 ILE HD12 . 25663 1 702 . 1 1 61 61 ILE HD13 H 1 0.533 0.005 . . . . . A 61 ILE HD13 . 25663 1 703 . 1 1 61 61 ILE CA C 13 56.601 0.128 . . . . . A 61 ILE CA . 25663 1 704 . 1 1 61 61 ILE CB C 13 38.417 0.083 . . . . . A 61 ILE CB . 25663 1 705 . 1 1 61 61 ILE CG2 C 13 18.341 0.053 . . . . . A 61 ILE CG2 . 25663 1 706 . 1 1 61 61 ILE CD1 C 13 9.658 0.084 . . . . . A 61 ILE CD1 . 25663 1 707 . 1 1 62 62 VAL H H 1 11.229 0.019 . . . . . A 62 VAL H . 25663 1 708 . 1 1 62 62 VAL HA H 1 3.935 0.006 . . . . . A 62 VAL HA . 25663 1 709 . 1 1 62 62 VAL HB H 1 2.055 0.012 . . . . . A 62 VAL HB . 25663 1 710 . 1 1 62 62 VAL HG11 H 1 0.924 0.003 . . . . . A 62 VAL HG11 . 25663 1 711 . 1 1 62 62 VAL HG12 H 1 0.924 0.003 . . . . . A 62 VAL HG12 . 25663 1 712 . 1 1 62 62 VAL HG13 H 1 0.924 0.003 . . . . . A 62 VAL HG13 . 25663 1 713 . 1 1 62 62 VAL HG21 H 1 0.919 0.006 . . . . . A 62 VAL HG21 . 25663 1 714 . 1 1 62 62 VAL HG22 H 1 0.919 0.006 . . . . . A 62 VAL HG22 . 25663 1 715 . 1 1 62 62 VAL HG23 H 1 0.919 0.006 . . . . . A 62 VAL HG23 . 25663 1 716 . 1 1 62 62 VAL CA C 13 64.377 0.053 . . . . . A 62 VAL CA . 25663 1 717 . 1 1 62 62 VAL CB C 13 34.087 0.025 . . . . . A 62 VAL CB . 25663 1 718 . 1 1 62 62 VAL CG1 C 13 22.984 0.058 . . . . . A 62 VAL CG1 . 25663 1 719 . 1 1 62 62 VAL CG2 C 13 21.299 0.125 . . . . . A 62 VAL CG2 . 25663 1 720 . 1 1 63 63 LYS H H 1 7.501 0.016 . . . . . A 63 LYS H . 25663 1 721 . 1 1 63 63 LYS HA H 1 4.753 0.006 . . . . . A 63 LYS HA . 25663 1 722 . 1 1 63 63 LYS HB2 H 1 1.572 0.014 . . . . . A 63 LYS HB2 . 25663 1 723 . 1 1 63 63 LYS HB3 H 1 1.405 0.003 . . . . . A 63 LYS HB3 . 25663 1 724 . 1 1 63 63 LYS HG2 H 1 1.206 0.009 . . . . . A 63 LYS HG2 . 25663 1 725 . 1 1 63 63 LYS HG3 H 1 1.206 0.009 . . . . . A 63 LYS HG3 . 25663 1 726 . 1 1 63 63 LYS HD2 H 1 1.429 0.015 . . . . . A 63 LYS HD2 . 25663 1 727 . 1 1 63 63 LYS HD3 H 1 1.429 0.015 . . . . . A 63 LYS HD3 . 25663 1 728 . 1 1 63 63 LYS HE2 H 1 2.962 0.011 . . . . . A 63 LYS HE2 . 25663 1 729 . 1 1 63 63 LYS HE3 H 1 2.721 0.018 . . . . . A 63 LYS HE3 . 25663 1 730 . 1 1 63 63 LYS CA C 13 52.473 0.014 . . . . . A 63 LYS CA . 25663 1 731 . 1 1 63 63 LYS CB C 13 32.983 0.087 . . . . . A 63 LYS CB . 25663 1 732 . 1 1 63 63 LYS CG C 13 24.409 0.082 . . . . . A 63 LYS CG . 25663 1 733 . 1 1 63 63 LYS CD C 13 29.814 0.000 . . . . . A 63 LYS CD . 25663 1 734 . 1 1 63 63 LYS CE C 13 41.992 0.105 . . . . . A 63 LYS CE . 25663 1 735 . 1 1 63 63 LYS N N 15 122.578 0.035 . . . . . A 63 LYS N . 25663 1 736 . 1 1 64 64 PRO HA H 1 4.362 0.004 . . . . . A 64 PRO HA . 25663 1 737 . 1 1 64 64 PRO HB2 H 1 2.190 0.031 . . . . . A 64 PRO HB2 . 25663 1 738 . 1 1 64 64 PRO HB3 H 1 1.870 0.016 . . . . . A 64 PRO HB3 . 25663 1 739 . 1 1 64 64 PRO HG2 H 1 1.954 0.000 . . . . . A 64 PRO HG2 . 25663 1 740 . 1 1 64 64 PRO HG3 H 1 1.857 0.030 . . . . . A 64 PRO HG3 . 25663 1 741 . 1 1 64 64 PRO HD2 H 1 3.699 0.002 . . . . . A 64 PRO HD2 . 25663 1 742 . 1 1 64 64 PRO HD3 H 1 3.635 0.003 . . . . . A 64 PRO HD3 . 25663 1 743 . 1 1 64 64 PRO CA C 13 63.124 0.039 . . . . . A 64 PRO CA . 25663 1 744 . 1 1 64 64 PRO CB C 13 32.121 0.000 . . . . . A 64 PRO CB . 25663 1 745 . 1 1 64 64 PRO CG C 13 27.291 0.021 . . . . . A 64 PRO CG . 25663 1 746 . 1 1 64 64 PRO CD C 13 50.565 0.076 . . . . . A 64 PRO CD . 25663 1 747 . 1 1 65 65 GLY H H 1 8.377 0.000 . . . . . A 65 GLY H . 25663 1 748 . 1 1 65 65 GLY HA2 H 1 3.756 0.009 . . . . . A 65 GLY HA2 . 25663 1 749 . 1 1 65 65 GLY HA3 H 1 4.361 0.012 . . . . . A 65 GLY HA3 . 25663 1 750 . 1 1 65 65 GLY CA C 13 45.512 0.025 . . . . . A 65 GLY CA . 25663 1 751 . 1 1 66 66 PRO HA H 1 4.010 0.011 . . . . . A 66 PRO HA . 25663 1 752 . 1 1 66 66 PRO HB2 H 1 2.242 0.013 . . . . . A 66 PRO HB2 . 25663 1 753 . 1 1 66 66 PRO HB3 H 1 1.871 0.013 . . . . . A 66 PRO HB3 . 25663 1 754 . 1 1 66 66 PRO HG2 H 1 1.958 0.000 . . . . . A 66 PRO HG2 . 25663 1 755 . 1 1 66 66 PRO HG3 H 1 1.916 0.020 . . . . . A 66 PRO HG3 . 25663 1 756 . 1 1 66 66 PRO HD2 H 1 3.624 0.008 . . . . . A 66 PRO HD2 . 25663 1 757 . 1 1 66 66 PRO HD3 H 1 3.532 0.023 . . . . . A 66 PRO HD3 . 25663 1 758 . 1 1 66 66 PRO C C 13 177.072 0.000 . . . . . A 66 PRO C . 25663 1 759 . 1 1 66 66 PRO CA C 13 64.765 0.082 . . . . . A 66 PRO CA . 25663 1 760 . 1 1 66 66 PRO CB C 13 32.121 0.081 . . . . . A 66 PRO CB . 25663 1 761 . 1 1 66 66 PRO CG C 13 27.108 0.088 . . . . . A 66 PRO CG . 25663 1 762 . 1 1 66 66 PRO CD C 13 50.153 0.109 . . . . . A 66 PRO CD . 25663 1 763 . 1 1 67 67 ASN H H 1 8.330 0.014 . . . . . A 67 ASN H . 25663 1 764 . 1 1 67 67 ASN HA H 1 4.995 0.014 . . . . . A 67 ASN HA . 25663 1 765 . 1 1 67 67 ASN HB2 H 1 2.850 0.022 . . . . . A 67 ASN HB2 . 25663 1 766 . 1 1 67 67 ASN HB3 H 1 2.627 0.013 . . . . . A 67 ASN HB3 . 25663 1 767 . 1 1 67 67 ASN HD21 H 1 7.361 0.007 . . . . . A 67 ASN HD21 . 25663 1 768 . 1 1 67 67 ASN HD22 H 1 6.913 0.037 . . . . . A 67 ASN HD22 . 25663 1 769 . 1 1 67 67 ASN C C 13 173.872 0.000 . . . . . A 67 ASN C . 25663 1 770 . 1 1 67 67 ASN CA C 13 52.349 0.071 . . . . . A 67 ASN CA . 25663 1 771 . 1 1 67 67 ASN CB C 13 38.955 0.092 . . . . . A 67 ASN CB . 25663 1 772 . 1 1 67 67 ASN N N 15 114.419 0.024 . . . . . A 67 ASN N . 25663 1 773 . 1 1 67 67 ASN ND2 N 15 113.511 0.078 . . . . . A 67 ASN ND2 . 25663 1 774 . 1 1 68 68 CYS H H 1 7.327 0.005 . . . . . A 68 CYS H . 25663 1 775 . 1 1 68 68 CYS HA H 1 5.034 0.013 . . . . . A 68 CYS HA . 25663 1 776 . 1 1 68 68 CYS HB2 H 1 3.226 0.011 . . . . . A 68 CYS HB2 . 25663 1 777 . 1 1 68 68 CYS HB3 H 1 2.942 0.009 . . . . . A 68 CYS HB3 . 25663 1 778 . 1 1 68 68 CYS CA C 13 54.247 0.022 . . . . . A 68 CYS CA . 25663 1 779 . 1 1 68 68 CYS CB C 13 44.260 0.087 . . . . . A 68 CYS CB . 25663 1 780 . 1 1 68 68 CYS N N 15 118.995 0.071 . . . . . A 68 CYS N . 25663 1 781 . 1 1 70 70 PHE HA H 1 4.305 0.006 . . . . . A 70 PHE HA . 25663 1 782 . 1 1 70 70 PHE HB2 H 1 3.314 0.004 . . . . . A 70 PHE HB2 . 25663 1 783 . 1 1 70 70 PHE HB3 H 1 3.027 0.008 . . . . . A 70 PHE HB3 . 25663 1 784 . 1 1 70 70 PHE HD1 H 1 7.207 0.001 . . . . . A 70 PHE HD1 . 25663 1 785 . 1 1 70 70 PHE HD2 H 1 7.207 0.001 . . . . . A 70 PHE HD2 . 25663 1 786 . 1 1 70 70 PHE CA C 13 58.889 0.034 . . . . . A 70 PHE CA . 25663 1 787 . 1 1 70 70 PHE CB C 13 36.557 0.094 . . . . . A 70 PHE CB . 25663 1 788 . 1 1 71 71 GLY H H 1 7.339 0.010 . . . . . A 71 GLY H . 25663 1 789 . 1 1 71 71 GLY HA2 H 1 3.473 0.004 . . . . . A 71 GLY HA2 . 25663 1 790 . 1 1 71 71 GLY HA3 H 1 3.939 0.007 . . . . . A 71 GLY HA3 . 25663 1 791 . 1 1 71 71 GLY CA C 13 46.043 0.050 . . . . . A 71 GLY CA . 25663 1 792 . 1 1 71 71 GLY N N 15 105.368 0.054 . . . . . A 71 GLY N . 25663 1 793 . 1 1 72 72 LYS H H 1 6.946 0.017 . . . . . A 72 LYS H . 25663 1 794 . 1 1 72 72 LYS HA H 1 4.264 0.004 . . . . . A 72 LYS HA . 25663 1 795 . 1 1 72 72 LYS HB2 H 1 1.684 0.007 . . . . . A 72 LYS HB2 . 25663 1 796 . 1 1 72 72 LYS HB3 H 1 1.684 0.007 . . . . . A 72 LYS HB3 . 25663 1 797 . 1 1 72 72 LYS HG2 H 1 1.339 0.007 . . . . . A 72 LYS HG2 . 25663 1 798 . 1 1 72 72 LYS HG3 H 1 1.339 0.007 . . . . . A 72 LYS HG3 . 25663 1 799 . 1 1 72 72 LYS HD2 H 1 1.592 0.009 . . . . . A 72 LYS HD2 . 25663 1 800 . 1 1 72 72 LYS HD3 H 1 1.592 0.009 . . . . . A 72 LYS HD3 . 25663 1 801 . 1 1 72 72 LYS HE2 H 1 2.920 0.008 . . . . . A 72 LYS HE2 . 25663 1 802 . 1 1 72 72 LYS HE3 H 1 2.920 0.008 . . . . . A 72 LYS HE3 . 25663 1 803 . 1 1 72 72 LYS C C 13 175.440 0.000 . . . . . A 72 LYS C . 25663 1 804 . 1 1 72 72 LYS CA C 13 56.413 0.073 . . . . . A 72 LYS CA . 25663 1 805 . 1 1 72 72 LYS CB C 13 33.686 0.132 . . . . . A 72 LYS CB . 25663 1 806 . 1 1 72 72 LYS CG C 13 25.324 0.000 . . . . . A 72 LYS CG . 25663 1 807 . 1 1 72 72 LYS CD C 13 29.069 0.064 . . . . . A 72 LYS CD . 25663 1 808 . 1 1 72 72 LYS CE C 13 42.073 0.003 . . . . . A 72 LYS CE . 25663 1 809 . 1 1 72 72 LYS N N 15 120.404 0.067 . . . . . A 72 LYS N . 25663 1 810 . 1 1 73 73 THR H H 1 7.911 0.008 . . . . . A 73 THR H . 25663 1 811 . 1 1 73 73 THR HA H 1 4.233 0.010 . . . . . A 73 THR HA . 25663 1 812 . 1 1 73 73 THR HB H 1 3.996 0.006 . . . . . A 73 THR HB . 25663 1 813 . 1 1 73 73 THR HG21 H 1 1.025 0.012 . . . . . A 73 THR HG21 . 25663 1 814 . 1 1 73 73 THR HG22 H 1 1.025 0.012 . . . . . A 73 THR HG22 . 25663 1 815 . 1 1 73 73 THR HG23 H 1 1.025 0.012 . . . . . A 73 THR HG23 . 25663 1 816 . 1 1 73 73 THR C C 13 173.774 0.000 . . . . . A 73 THR C . 25663 1 817 . 1 1 73 73 THR CA C 13 60.879 0.061 . . . . . A 73 THR CA . 25663 1 818 . 1 1 73 73 THR CB C 13 70.841 0.046 . . . . . A 73 THR CB . 25663 1 819 . 1 1 73 73 THR CG2 C 13 21.963 0.012 . . . . . A 73 THR CG2 . 25663 1 820 . 1 1 73 73 THR N N 15 110.334 0.032 . . . . . A 73 THR N . 25663 1 821 . 1 1 74 74 GLY H H 1 7.904 0.010 . . . . . A 74 GLY H . 25663 1 822 . 1 1 74 74 GLY HA2 H 1 3.347 0.005 . . . . . A 74 GLY HA2 . 25663 1 823 . 1 1 74 74 GLY HA3 H 1 4.431 0.023 . . . . . A 74 GLY HA3 . 25663 1 824 . 1 1 74 74 GLY C C 13 172.715 0.000 . . . . . A 74 GLY C . 25663 1 825 . 1 1 74 74 GLY CA C 13 43.404 0.036 . . . . . A 74 GLY CA . 25663 1 826 . 1 1 74 74 GLY N N 15 109.589 0.058 . . . . . A 74 GLY N . 25663 1 827 . 1 1 75 75 ILE H H 1 8.265 0.006 . . . . . A 75 ILE H . 25663 1 828 . 1 1 75 75 ILE HA H 1 4.221 0.011 . . . . . A 75 ILE HA . 25663 1 829 . 1 1 75 75 ILE HB H 1 1.603 0.011 . . . . . A 75 ILE HB . 25663 1 830 . 1 1 75 75 ILE HG12 H 1 0.905 0.011 . . . . . A 75 ILE HG12 . 25663 1 831 . 1 1 75 75 ILE HG13 H 1 0.752 0.022 . . . . . A 75 ILE HG13 . 25663 1 832 . 1 1 75 75 ILE HG21 H 1 0.197 0.009 . . . . . A 75 ILE HG21 . 25663 1 833 . 1 1 75 75 ILE HG22 H 1 0.197 0.009 . . . . . A 75 ILE HG22 . 25663 1 834 . 1 1 75 75 ILE HG23 H 1 0.197 0.009 . . . . . A 75 ILE HG23 . 25663 1 835 . 1 1 75 75 ILE HD11 H 1 0.058 0.005 . . . . . A 75 ILE HD11 . 25663 1 836 . 1 1 75 75 ILE HD12 H 1 0.058 0.005 . . . . . A 75 ILE HD12 . 25663 1 837 . 1 1 75 75 ILE HD13 H 1 0.058 0.005 . . . . . A 75 ILE HD13 . 25663 1 838 . 1 1 75 75 ILE C C 13 176.249 0.000 . . . . . A 75 ILE C . 25663 1 839 . 1 1 75 75 ILE CA C 13 59.422 0.063 . . . . . A 75 ILE CA . 25663 1 840 . 1 1 75 75 ILE CB C 13 36.008 0.098 . . . . . A 75 ILE CB . 25663 1 841 . 1 1 75 75 ILE CG1 C 13 27.408 0.099 . . . . . A 75 ILE CG1 . 25663 1 842 . 1 1 75 75 ILE CG2 C 13 16.577 0.023 . . . . . A 75 ILE CG2 . 25663 1 843 . 1 1 75 75 ILE CD1 C 13 11.740 0.021 . . . . . A 75 ILE CD1 . 25663 1 844 . 1 1 75 75 ILE N N 15 120.787 0.028 . . . . . A 75 ILE N . 25663 1 845 . 1 1 76 76 ILE H H 1 8.660 0.012 . . . . . A 76 ILE H . 25663 1 846 . 1 1 76 76 ILE HA H 1 3.587 0.010 . . . . . A 76 ILE HA . 25663 1 847 . 1 1 76 76 ILE HB H 1 0.190 0.003 . . . . . A 76 ILE HB . 25663 1 848 . 1 1 76 76 ILE HG12 H 1 0.912 0.011 . . . . . A 76 ILE HG12 . 25663 1 849 . 1 1 76 76 ILE HG13 H 1 0.689 0.025 . . . . . A 76 ILE HG13 . 25663 1 850 . 1 1 76 76 ILE HG21 H 1 0.598 0.010 . . . . . A 76 ILE HG21 . 25663 1 851 . 1 1 76 76 ILE HG22 H 1 0.598 0.010 . . . . . A 76 ILE HG22 . 25663 1 852 . 1 1 76 76 ILE HG23 H 1 0.598 0.010 . . . . . A 76 ILE HG23 . 25663 1 853 . 1 1 76 76 ILE HD11 H 1 0.265 0.020 . . . . . A 76 ILE HD11 . 25663 1 854 . 1 1 76 76 ILE HD12 H 1 0.265 0.020 . . . . . A 76 ILE HD12 . 25663 1 855 . 1 1 76 76 ILE HD13 H 1 0.265 0.020 . . . . . A 76 ILE HD13 . 25663 1 856 . 1 1 76 76 ILE C C 13 173.769 0.000 . . . . . A 76 ILE C . 25663 1 857 . 1 1 76 76 ILE CA C 13 59.599 0.051 . . . . . A 76 ILE CA . 25663 1 858 . 1 1 76 76 ILE CB C 13 33.139 0.101 . . . . . A 76 ILE CB . 25663 1 859 . 1 1 76 76 ILE CG1 C 13 27.596 0.047 . . . . . A 76 ILE CG1 . 25663 1 860 . 1 1 76 76 ILE CG2 C 13 17.725 0.054 . . . . . A 76 ILE CG2 . 25663 1 861 . 1 1 76 76 ILE CD1 C 13 9.828 0.043 . . . . . A 76 ILE CD1 . 25663 1 862 . 1 1 76 76 ILE N N 15 134.542 0.036 . . . . . A 76 ILE N . 25663 1 863 . 1 1 77 77 ASP H H 1 7.925 0.006 . . . . . A 77 ASP H . 25663 1 864 . 1 1 77 77 ASP HA H 1 4.790 0.004 . . . . . A 77 ASP HA . 25663 1 865 . 1 1 77 77 ASP HB2 H 1 2.864 0.004 . . . . . A 77 ASP HB2 . 25663 1 866 . 1 1 77 77 ASP HB3 H 1 2.375 0.004 . . . . . A 77 ASP HB3 . 25663 1 867 . 1 1 77 77 ASP C C 13 176.390 0.000 . . . . . A 77 ASP C . 25663 1 868 . 1 1 77 77 ASP CA C 13 52.927 0.040 . . . . . A 77 ASP CA . 25663 1 869 . 1 1 77 77 ASP CB C 13 44.224 0.085 . . . . . A 77 ASP CB . 25663 1 870 . 1 1 77 77 ASP N N 15 126.213 0.037 . . . . . A 77 ASP N . 25663 1 871 . 1 1 78 78 TYR H H 1 9.313 0.016 . . . . . A 78 TYR H . 25663 1 872 . 1 1 78 78 TYR HA H 1 4.780 0.010 . . . . . A 78 TYR HA . 25663 1 873 . 1 1 78 78 TYR HB2 H 1 3.093 0.005 . . . . . A 78 TYR HB2 . 25663 1 874 . 1 1 78 78 TYR HB3 H 1 2.742 0.015 . . . . . A 78 TYR HB3 . 25663 1 875 . 1 1 78 78 TYR HD1 H 1 6.656 0.041 . . . . . A 78 TYR HD1 . 25663 1 876 . 1 1 78 78 TYR HD2 H 1 6.656 0.041 . . . . . A 78 TYR HD2 . 25663 1 877 . 1 1 78 78 TYR HE1 H 1 6.507 0.000 . . . . . A 78 TYR HE1 . 25663 1 878 . 1 1 78 78 TYR HE2 H 1 6.507 0.000 . . . . . A 78 TYR HE2 . 25663 1 879 . 1 1 78 78 TYR C C 13 177.025 0.000 . . . . . A 78 TYR C . 25663 1 880 . 1 1 78 78 TYR CA C 13 54.257 0.000 . . . . . A 78 TYR CA . 25663 1 881 . 1 1 78 78 TYR CB C 13 36.513 0.093 . . . . . A 78 TYR CB . 25663 1 882 . 1 1 78 78 TYR N N 15 126.424 0.043 . . . . . A 78 TYR N . 25663 1 883 . 1 1 79 79 GLY H H 1 8.880 0.009 . . . . . A 79 GLY H . 25663 1 884 . 1 1 79 79 GLY HA2 H 1 3.680 0.002 . . . . . A 79 GLY HA2 . 25663 1 885 . 1 1 79 79 GLY HA3 H 1 4.081 0.004 . . . . . A 79 GLY HA3 . 25663 1 886 . 1 1 79 79 GLY C C 13 172.389 0.000 . . . . . A 79 GLY C . 25663 1 887 . 1 1 79 79 GLY CA C 13 44.317 0.070 . . . . . A 79 GLY CA . 25663 1 888 . 1 1 79 79 GLY N N 15 110.776 0.029 . . . . . A 79 GLY N . 25663 1 889 . 1 1 80 80 ILE H H 1 8.189 0.006 . . . . . A 80 ILE H . 25663 1 890 . 1 1 80 80 ILE HA H 1 3.897 0.007 . . . . . A 80 ILE HA . 25663 1 891 . 1 1 80 80 ILE HB H 1 1.754 0.011 . . . . . A 80 ILE HB . 25663 1 892 . 1 1 80 80 ILE HG12 H 1 1.480 0.009 . . . . . A 80 ILE HG12 . 25663 1 893 . 1 1 80 80 ILE HG13 H 1 1.132 0.006 . . . . . A 80 ILE HG13 . 25663 1 894 . 1 1 80 80 ILE HG21 H 1 0.813 0.006 . . . . . A 80 ILE HG21 . 25663 1 895 . 1 1 80 80 ILE HG22 H 1 0.813 0.006 . . . . . A 80 ILE HG22 . 25663 1 896 . 1 1 80 80 ILE HG23 H 1 0.813 0.006 . . . . . A 80 ILE HG23 . 25663 1 897 . 1 1 80 80 ILE HD11 H 1 0.769 0.015 . . . . . A 80 ILE HD11 . 25663 1 898 . 1 1 80 80 ILE HD12 H 1 0.769 0.015 . . . . . A 80 ILE HD12 . 25663 1 899 . 1 1 80 80 ILE HD13 H 1 0.769 0.015 . . . . . A 80 ILE HD13 . 25663 1 900 . 1 1 80 80 ILE C C 13 177.495 0.000 . . . . . A 80 ILE C . 25663 1 901 . 1 1 80 80 ILE CA C 13 61.293 0.043 . . . . . A 80 ILE CA . 25663 1 902 . 1 1 80 80 ILE CB C 13 36.412 0.051 . . . . . A 80 ILE CB . 25663 1 903 . 1 1 80 80 ILE CG1 C 13 27.553 0.068 . . . . . A 80 ILE CG1 . 25663 1 904 . 1 1 80 80 ILE CG2 C 13 17.476 0.047 . . . . . A 80 ILE CG2 . 25663 1 905 . 1 1 80 80 ILE CD1 C 13 11.722 0.050 . . . . . A 80 ILE CD1 . 25663 1 906 . 1 1 80 80 ILE N N 15 117.437 0.039 . . . . . A 80 ILE N . 25663 1 907 . 1 1 81 81 ARG H H 1 8.367 0.009 . . . . . A 81 ARG H . 25663 1 908 . 1 1 81 81 ARG HA H 1 4.367 0.009 . . . . . A 81 ARG HA . 25663 1 909 . 1 1 81 81 ARG HB2 H 1 2.111 0.015 . . . . . A 81 ARG HB2 . 25663 1 910 . 1 1 81 81 ARG HB3 H 1 2.111 0.015 . . . . . A 81 ARG HB3 . 25663 1 911 . 1 1 81 81 ARG HG2 H 1 1.892 0.007 . . . . . A 81 ARG HG2 . 25663 1 912 . 1 1 81 81 ARG HG3 H 1 1.563 0.011 . . . . . A 81 ARG HG3 . 25663 1 913 . 1 1 81 81 ARG HD2 H 1 2.771 0.010 . . . . . A 81 ARG HD2 . 25663 1 914 . 1 1 81 81 ARG HD3 H 1 2.773 0.010 . . . . . A 81 ARG HD3 . 25663 1 915 . 1 1 81 81 ARG HE H 1 9.812 0.026 . . . . . A 81 ARG HE . 25663 1 916 . 1 1 81 81 ARG CA C 13 52.745 0.033 . . . . . A 81 ARG CA . 25663 1 917 . 1 1 81 81 ARG CB C 13 27.133 0.116 . . . . . A 81 ARG CB . 25663 1 918 . 1 1 81 81 ARG CG C 13 25.428 0.051 . . . . . A 81 ARG CG . 25663 1 919 . 1 1 81 81 ARG CD C 13 40.524 0.114 . . . . . A 81 ARG CD . 25663 1 920 . 1 1 81 81 ARG N N 15 128.585 0.029 . . . . . A 81 ARG N . 25663 1 921 . 1 1 82 82 LEU H H 1 8.226 0.007 . . . . . A 82 LEU H . 25663 1 922 . 1 1 82 82 LEU HA H 1 4.145 0.005 . . . . . A 82 LEU HA . 25663 1 923 . 1 1 82 82 LEU HB2 H 1 1.647 0.011 . . . . . A 82 LEU HB2 . 25663 1 924 . 1 1 82 82 LEU HB3 H 1 1.558 0.028 . . . . . A 82 LEU HB3 . 25663 1 925 . 1 1 82 82 LEU HG H 1 1.685 0.005 . . . . . A 82 LEU HG . 25663 1 926 . 1 1 82 82 LEU HD11 H 1 0.885 0.013 . . . . . A 82 LEU HD11 . 25663 1 927 . 1 1 82 82 LEU HD12 H 1 0.885 0.013 . . . . . A 82 LEU HD12 . 25663 1 928 . 1 1 82 82 LEU HD13 H 1 0.885 0.013 . . . . . A 82 LEU HD13 . 25663 1 929 . 1 1 82 82 LEU HD21 H 1 0.829 0.019 . . . . . A 82 LEU HD21 . 25663 1 930 . 1 1 82 82 LEU HD22 H 1 0.829 0.019 . . . . . A 82 LEU HD22 . 25663 1 931 . 1 1 82 82 LEU HD23 H 1 0.829 0.019 . . . . . A 82 LEU HD23 . 25663 1 932 . 1 1 82 82 LEU C C 13 177.546 0.000 . . . . . A 82 LEU C . 25663 1 933 . 1 1 82 82 LEU CA C 13 56.857 0.041 . . . . . A 82 LEU CA . 25663 1 934 . 1 1 82 82 LEU CB C 13 42.266 0.066 . . . . . A 82 LEU CB . 25663 1 935 . 1 1 82 82 LEU CG C 13 27.198 0.061 . . . . . A 82 LEU CG . 25663 1 936 . 1 1 82 82 LEU CD1 C 13 24.620 0.056 . . . . . A 82 LEU CD1 . 25663 1 937 . 1 1 82 82 LEU CD2 C 13 23.482 0.082 . . . . . A 82 LEU CD2 . 25663 1 938 . 1 1 83 83 ASN H H 1 8.628 0.006 . . . . . A 83 ASN H . 25663 1 939 . 1 1 83 83 ASN HA H 1 4.913 0.009 . . . . . A 83 ASN HA . 25663 1 940 . 1 1 83 83 ASN HB2 H 1 3.302 0.006 . . . . . A 83 ASN HB2 . 25663 1 941 . 1 1 83 83 ASN HB3 H 1 2.792 0.006 . . . . . A 83 ASN HB3 . 25663 1 942 . 1 1 83 83 ASN HD21 H 1 7.942 0.006 . . . . . A 83 ASN HD21 . 25663 1 943 . 1 1 83 83 ASN HD22 H 1 7.048 0.013 . . . . . A 83 ASN HD22 . 25663 1 944 . 1 1 83 83 ASN C C 13 175.764 0.000 . . . . . A 83 ASN C . 25663 1 945 . 1 1 83 83 ASN CA C 13 51.627 0.050 . . . . . A 83 ASN CA . 25663 1 946 . 1 1 83 83 ASN CB C 13 37.505 0.049 . . . . . A 83 ASN CB . 25663 1 947 . 1 1 83 83 ASN N N 15 115.779 0.015 . . . . . A 83 ASN N . 25663 1 948 . 1 1 83 83 ASN ND2 N 15 111.949 0.021 . . . . . A 83 ASN ND2 . 25663 1 949 . 1 1 84 84 ARG H H 1 8.593 0.007 . . . . . A 84 ARG H . 25663 1 950 . 1 1 84 84 ARG HA H 1 4.637 0.007 . . . . . A 84 ARG HA . 25663 1 951 . 1 1 84 84 ARG HB2 H 1 2.005 0.009 . . . . . A 84 ARG HB2 . 25663 1 952 . 1 1 84 84 ARG HB3 H 1 1.849 0.009 . . . . . A 84 ARG HB3 . 25663 1 953 . 1 1 84 84 ARG HG2 H 1 1.815 0.014 . . . . . A 84 ARG HG2 . 25663 1 954 . 1 1 84 84 ARG HG3 H 1 1.815 0.014 . . . . . A 84 ARG HG3 . 25663 1 955 . 1 1 84 84 ARG HD2 H 1 2.845 0.007 . . . . . A 84 ARG HD2 . 25663 1 956 . 1 1 84 84 ARG HD3 H 1 2.681 0.019 . . . . . A 84 ARG HD3 . 25663 1 957 . 1 1 84 84 ARG HE H 1 7.413 0.003 . . . . . A 84 ARG HE . 25663 1 958 . 1 1 84 84 ARG C C 13 177.197 0.000 . . . . . A 84 ARG C . 25663 1 959 . 1 1 84 84 ARG CA C 13 56.695 0.071 . . . . . A 84 ARG CA . 25663 1 960 . 1 1 84 84 ARG CB C 13 29.361 0.060 . . . . . A 84 ARG CB . 25663 1 961 . 1 1 84 84 ARG CG C 13 27.948 0.065 . . . . . A 84 ARG CG . 25663 1 962 . 1 1 84 84 ARG CD C 13 42.919 0.054 . . . . . A 84 ARG CD . 25663 1 963 . 1 1 84 84 ARG N N 15 121.554 0.055 . . . . . A 84 ARG N . 25663 1 964 . 1 1 85 85 SER H H 1 8.567 0.006 . . . . . A 85 SER H . 25663 1 965 . 1 1 85 85 SER HA H 1 4.628 0.009 . . . . . A 85 SER HA . 25663 1 966 . 1 1 85 85 SER HB2 H 1 4.065 0.004 . . . . . A 85 SER HB2 . 25663 1 967 . 1 1 85 85 SER HB3 H 1 4.065 0.004 . . . . . A 85 SER HB3 . 25663 1 968 . 1 1 85 85 SER C C 13 174.403 0.000 . . . . . A 85 SER C . 25663 1 969 . 1 1 85 85 SER CA C 13 58.827 0.029 . . . . . A 85 SER CA . 25663 1 970 . 1 1 85 85 SER CB C 13 62.996 0.048 . . . . . A 85 SER CB . 25663 1 971 . 1 1 85 85 SER N N 15 116.623 0.026 . . . . . A 85 SER N . 25663 1 972 . 1 1 86 86 GLU H H 1 7.219 0.016 . . . . . A 86 GLU H . 25663 1 973 . 1 1 86 86 GLU HA H 1 3.864 0.027 . . . . . A 86 GLU HA . 25663 1 974 . 1 1 86 86 GLU HB2 H 1 2.307 0.010 . . . . . A 86 GLU HB2 . 25663 1 975 . 1 1 86 86 GLU HB3 H 1 1.744 0.010 . . . . . A 86 GLU HB3 . 25663 1 976 . 1 1 86 86 GLU HG2 H 1 2.816 0.007 . . . . . A 86 GLU HG2 . 25663 1 977 . 1 1 86 86 GLU HG3 H 1 2.816 0.007 . . . . . A 86 GLU HG3 . 25663 1 978 . 1 1 86 86 GLU C C 13 174.422 0.000 . . . . . A 86 GLU C . 25663 1 979 . 1 1 86 86 GLU CA C 13 57.520 0.023 . . . . . A 86 GLU CA . 25663 1 980 . 1 1 86 86 GLU CB C 13 31.292 0.057 . . . . . A 86 GLU CB . 25663 1 981 . 1 1 86 86 GLU CG C 13 37.042 0.000 . . . . . A 86 GLU CG . 25663 1 982 . 1 1 86 86 GLU N N 15 121.171 0.043 . . . . . A 86 GLU N . 25663 1 983 . 1 1 87 87 ARG H H 1 7.263 0.006 . . . . . A 87 ARG H . 25663 1 984 . 1 1 87 87 ARG HA H 1 4.687 0.012 . . . . . A 87 ARG HA . 25663 1 985 . 1 1 87 87 ARG HB2 H 1 1.272 0.014 . . . . . A 87 ARG HB2 . 25663 1 986 . 1 1 87 87 ARG HB3 H 1 1.097 0.010 . . . . . A 87 ARG HB3 . 25663 1 987 . 1 1 87 87 ARG HG2 H 1 1.542 0.007 . . . . . A 87 ARG HG2 . 25663 1 988 . 1 1 87 87 ARG HG3 H 1 1.542 0.007 . . . . . A 87 ARG HG3 . 25663 1 989 . 1 1 87 87 ARG HD2 H 1 3.042 0.006 . . . . . A 87 ARG HD2 . 25663 1 990 . 1 1 87 87 ARG HD3 H 1 2.991 0.016 . . . . . A 87 ARG HD3 . 25663 1 991 . 1 1 87 87 ARG HE H 1 7.163 0.009 . . . . . A 87 ARG HE . 25663 1 992 . 1 1 87 87 ARG C C 13 173.408 0.000 . . . . . A 87 ARG C . 25663 1 993 . 1 1 87 87 ARG CA C 13 54.387 0.022 . . . . . A 87 ARG CA . 25663 1 994 . 1 1 87 87 ARG CB C 13 31.544 0.086 . . . . . A 87 ARG CB . 25663 1 995 . 1 1 87 87 ARG CG C 13 28.408 0.111 . . . . . A 87 ARG CG . 25663 1 996 . 1 1 87 87 ARG CD C 13 43.632 0.051 . . . . . A 87 ARG CD . 25663 1 997 . 1 1 87 87 ARG N N 15 118.124 0.018 . . . . . A 87 ARG N . 25663 1 998 . 1 1 88 88 TRP H H 1 8.811 0.004 . . . . . A 88 TRP H . 25663 1 999 . 1 1 88 88 TRP HA H 1 4.899 0.007 . . . . . A 88 TRP HA . 25663 1 1000 . 1 1 88 88 TRP HB2 H 1 2.977 0.012 . . . . . A 88 TRP HB2 . 25663 1 1001 . 1 1 88 88 TRP HB3 H 1 2.283 0.009 . . . . . A 88 TRP HB3 . 25663 1 1002 . 1 1 88 88 TRP HD1 H 1 5.568 0.021 . . . . . A 88 TRP HD1 . 25663 1 1003 . 1 1 88 88 TRP HE1 H 1 10.326 0.069 . . . . . A 88 TRP HE1 . 25663 1 1004 . 1 1 88 88 TRP HE3 H 1 6.151 0.015 . . . . . A 88 TRP HE3 . 25663 1 1005 . 1 1 88 88 TRP HZ2 H 1 7.353 0.000 . . . . . A 88 TRP HZ2 . 25663 1 1006 . 1 1 88 88 TRP CA C 13 54.508 0.054 . . . . . A 88 TRP CA . 25663 1 1007 . 1 1 88 88 TRP CB C 13 33.610 0.046 . . . . . A 88 TRP CB . 25663 1 1008 . 1 1 88 88 TRP N N 15 121.383 0.039 . . . . . A 88 TRP N . 25663 1 1009 . 1 1 88 88 TRP NE1 N 15 128.681 0.055 . . . . . A 88 TRP NE1 . 25663 1 1010 . 1 1 89 89 ASP H H 1 8.552 0.009 . . . . . A 89 ASP H . 25663 1 1011 . 1 1 89 89 ASP HA H 1 5.602 0.008 . . . . . A 89 ASP HA . 25663 1 1012 . 1 1 89 89 ASP HB2 H 1 3.169 0.007 . . . . . A 89 ASP HB2 . 25663 1 1013 . 1 1 89 89 ASP HB3 H 1 2.928 0.007 . . . . . A 89 ASP HB3 . 25663 1 1014 . 1 1 89 89 ASP C C 13 173.648 0.000 . . . . . A 89 ASP C . 25663 1 1015 . 1 1 89 89 ASP CA C 13 54.558 0.043 . . . . . A 89 ASP CA . 25663 1 1016 . 1 1 89 89 ASP CB C 13 40.438 0.046 . . . . . A 89 ASP CB . 25663 1 1017 . 1 1 89 89 ASP N N 15 119.285 0.069 . . . . . A 89 ASP N . 25663 1 1018 . 1 1 90 90 ALA H H 1 8.449 0.012 . . . . . A 90 ALA H . 25663 1 1019 . 1 1 90 90 ALA HA H 1 5.095 0.013 . . . . . A 90 ALA HA . 25663 1 1020 . 1 1 90 90 ALA HB1 H 1 1.198 0.010 . . . . . A 90 ALA HB1 . 25663 1 1021 . 1 1 90 90 ALA HB2 H 1 1.198 0.010 . . . . . A 90 ALA HB2 . 25663 1 1022 . 1 1 90 90 ALA HB3 H 1 1.198 0.010 . . . . . A 90 ALA HB3 . 25663 1 1023 . 1 1 90 90 ALA C C 13 175.076 0.000 . . . . . A 90 ALA C . 25663 1 1024 . 1 1 90 90 ALA CA C 13 52.089 0.030 . . . . . A 90 ALA CA . 25663 1 1025 . 1 1 90 90 ALA CB C 13 23.118 0.051 . . . . . A 90 ALA CB . 25663 1 1026 . 1 1 90 90 ALA N N 15 121.014 0.035 . . . . . A 90 ALA N . 25663 1 1027 . 1 1 91 91 TYR H H 1 8.421 0.007 . . . . . A 91 TYR H . 25663 1 1028 . 1 1 91 91 TYR HA H 1 5.072 0.011 . . . . . A 91 TYR HA . 25663 1 1029 . 1 1 91 91 TYR HB2 H 1 2.802 0.009 . . . . . A 91 TYR HB2 . 25663 1 1030 . 1 1 91 91 TYR HB3 H 1 2.565 0.008 . . . . . A 91 TYR HB3 . 25663 1 1031 . 1 1 91 91 TYR HD1 H 1 6.936 0.022 . . . . . A 91 TYR HD1 . 25663 1 1032 . 1 1 91 91 TYR HD2 H 1 6.936 0.022 . . . . . A 91 TYR HD2 . 25663 1 1033 . 1 1 91 91 TYR HE1 H 1 7.083 0.003 . . . . . A 91 TYR HE1 . 25663 1 1034 . 1 1 91 91 TYR HE2 H 1 7.083 0.003 . . . . . A 91 TYR HE2 . 25663 1 1035 . 1 1 91 91 TYR C C 13 174.671 0.000 . . . . . A 91 TYR C . 25663 1 1036 . 1 1 91 91 TYR CA C 13 58.787 0.067 . . . . . A 91 TYR CA . 25663 1 1037 . 1 1 91 91 TYR CB C 13 40.686 0.092 . . . . . A 91 TYR CB . 25663 1 1038 . 1 1 91 91 TYR N N 15 118.243 0.023 . . . . . A 91 TYR N . 25663 1 1039 . 1 1 92 92 CYS H H 1 8.459 0.009 . . . . . A 92 CYS H . 25663 1 1040 . 1 1 92 92 CYS HA H 1 5.263 0.006 . . . . . A 92 CYS HA . 25663 1 1041 . 1 1 92 92 CYS HB2 H 1 2.891 0.013 . . . . . A 92 CYS HB2 . 25663 1 1042 . 1 1 92 92 CYS HB3 H 1 0.945 0.019 . . . . . A 92 CYS HB3 . 25663 1 1043 . 1 1 92 92 CYS C C 13 172.698 0.000 . . . . . A 92 CYS C . 25663 1 1044 . 1 1 92 92 CYS CA C 13 50.601 0.058 . . . . . A 92 CYS CA . 25663 1 1045 . 1 1 92 92 CYS CB C 13 37.818 0.079 . . . . . A 92 CYS CB . 25663 1 1046 . 1 1 92 92 CYS N N 15 119.931 0.046 . . . . . A 92 CYS N . 25663 1 1047 . 1 1 93 93 TYR H H 1 9.410 0.010 . . . . . A 93 TYR H . 25663 1 1048 . 1 1 93 93 TYR HA H 1 4.903 0.013 . . . . . A 93 TYR HA . 25663 1 1049 . 1 1 93 93 TYR HB2 H 1 2.765 0.017 . . . . . A 93 TYR HB2 . 25663 1 1050 . 1 1 93 93 TYR HB3 H 1 2.575 0.007 . . . . . A 93 TYR HB3 . 25663 1 1051 . 1 1 93 93 TYR HD1 H 1 6.818 0.019 . . . . . A 93 TYR HD1 . 25663 1 1052 . 1 1 93 93 TYR HD2 H 1 6.818 0.019 . . . . . A 93 TYR HD2 . 25663 1 1053 . 1 1 93 93 TYR HE1 H 1 6.747 0.024 . . . . . A 93 TYR HE1 . 25663 1 1054 . 1 1 93 93 TYR HE2 H 1 6.747 0.024 . . . . . A 93 TYR HE2 . 25663 1 1055 . 1 1 93 93 TYR C C 13 173.902 0.000 . . . . . A 93 TYR C . 25663 1 1056 . 1 1 93 93 TYR CA C 13 57.096 0.130 . . . . . A 93 TYR CA . 25663 1 1057 . 1 1 93 93 TYR CB C 13 41.665 0.092 . . . . . A 93 TYR CB . 25663 1 1058 . 1 1 93 93 TYR N N 15 120.805 0.073 . . . . . A 93 TYR N . 25663 1 1059 . 1 1 94 94 ASN H H 1 7.832 0.003 . . . . . A 94 ASN H . 25663 1 1060 . 1 1 94 94 ASN HA H 1 4.774 0.013 . . . . . A 94 ASN HA . 25663 1 1061 . 1 1 94 94 ASN HB2 H 1 2.802 0.009 . . . . . A 94 ASN HB2 . 25663 1 1062 . 1 1 94 94 ASN HB3 H 1 2.802 0.009 . . . . . A 94 ASN HB3 . 25663 1 1063 . 1 1 94 94 ASN HD21 H 1 7.549 0.002 . . . . . A 94 ASN HD21 . 25663 1 1064 . 1 1 94 94 ASN HD22 H 1 6.886 0.007 . . . . . A 94 ASN HD22 . 25663 1 1065 . 1 1 94 94 ASN CA C 13 49.599 0.009 . . . . . A 94 ASN CA . 25663 1 1066 . 1 1 94 94 ASN CB C 13 41.642 0.013 . . . . . A 94 ASN CB . 25663 1 1067 . 1 1 94 94 ASN N N 15 124.511 0.040 . . . . . A 94 ASN N . 25663 1 1068 . 1 1 94 94 ASN ND2 N 15 112.953 0.042 . . . . . A 94 ASN ND2 . 25663 1 1069 . 1 1 95 95 PRO HA H 1 4.141 0.004 . . . . . A 95 PRO HA . 25663 1 1070 . 1 1 95 95 PRO HB2 H 1 2.253 0.017 . . . . . A 95 PRO HB2 . 25663 1 1071 . 1 1 95 95 PRO HB3 H 1 1.732 0.005 . . . . . A 95 PRO HB3 . 25663 1 1072 . 1 1 95 95 PRO HG2 H 1 2.044 0.002 . . . . . A 95 PRO HG2 . 25663 1 1073 . 1 1 95 95 PRO HG3 H 1 1.528 0.004 . . . . . A 95 PRO HG3 . 25663 1 1074 . 1 1 95 95 PRO HD2 H 1 3.772 0.002 . . . . . A 95 PRO HD2 . 25663 1 1075 . 1 1 95 95 PRO HD3 H 1 3.446 0.007 . . . . . A 95 PRO HD3 . 25663 1 1076 . 1 1 95 95 PRO C C 13 176.345 0.000 . . . . . A 95 PRO C . 25663 1 1077 . 1 1 95 95 PRO CA C 13 63.800 0.056 . . . . . A 95 PRO CA . 25663 1 1078 . 1 1 95 95 PRO CB C 13 32.046 0.032 . . . . . A 95 PRO CB . 25663 1 1079 . 1 1 95 95 PRO CG C 13 26.490 0.036 . . . . . A 95 PRO CG . 25663 1 1080 . 1 1 95 95 PRO CD C 13 51.064 0.047 . . . . . A 95 PRO CD . 25663 1 1081 . 1 1 96 96 HIS H H 1 8.354 0.014 . . . . . A 96 HIS H . 25663 1 1082 . 1 1 96 96 HIS HA H 1 4.623 0.009 . . . . . A 96 HIS HA . 25663 1 1083 . 1 1 96 96 HIS HB2 H 1 3.259 0.010 . . . . . A 96 HIS HB2 . 25663 1 1084 . 1 1 96 96 HIS HB3 H 1 3.030 0.004 . . . . . A 96 HIS HB3 . 25663 1 1085 . 1 1 96 96 HIS HD2 H 1 7.326 0.006 . . . . . A 96 HIS HD2 . 25663 1 1086 . 1 1 96 96 HIS C C 13 173.999 0.000 . . . . . A 96 HIS C . 25663 1 1087 . 1 1 96 96 HIS CA C 13 55.046 0.061 . . . . . A 96 HIS CA . 25663 1 1088 . 1 1 96 96 HIS CB C 13 28.821 0.066 . . . . . A 96 HIS CB . 25663 1 1089 . 1 1 96 96 HIS N N 15 116.009 0.025 . . . . . A 96 HIS N . 25663 1 1090 . 1 1 97 97 ALA H H 1 7.387 0.009 . . . . . A 97 ALA H . 25663 1 1091 . 1 1 97 97 ALA HA H 1 4.269 0.005 . . . . . A 97 ALA HA . 25663 1 1092 . 1 1 97 97 ALA HB1 H 1 1.225 0.010 . . . . . A 97 ALA HB1 . 25663 1 1093 . 1 1 97 97 ALA HB2 H 1 1.225 0.010 . . . . . A 97 ALA HB2 . 25663 1 1094 . 1 1 97 97 ALA HB3 H 1 1.225 0.010 . . . . . A 97 ALA HB3 . 25663 1 1095 . 1 1 97 97 ALA C C 13 176.350 0.000 . . . . . A 97 ALA C . 25663 1 1096 . 1 1 97 97 ALA CA C 13 51.796 0.044 . . . . . A 97 ALA CA . 25663 1 1097 . 1 1 97 97 ALA CB C 13 19.648 0.025 . . . . . A 97 ALA CB . 25663 1 1098 . 1 1 97 97 ALA N N 15 123.775 0.018 . . . . . A 97 ALA N . 25663 1 1099 . 1 1 98 98 LYS H H 1 8.040 0.010 . . . . . A 98 LYS H . 25663 1 1100 . 1 1 98 98 LYS HA H 1 3.976 0.004 . . . . . A 98 LYS HA . 25663 1 1101 . 1 1 98 98 LYS HB2 H 1 1.695 0.012 . . . . . A 98 LYS HB2 . 25663 1 1102 . 1 1 98 98 LYS HB3 H 1 1.626 0.020 . . . . . A 98 LYS HB3 . 25663 1 1103 . 1 1 98 98 LYS HG2 H 1 1.345 0.015 . . . . . A 98 LYS HG2 . 25663 1 1104 . 1 1 98 98 LYS HG3 H 1 1.345 0.015 . . . . . A 98 LYS HG3 . 25663 1 1105 . 1 1 98 98 LYS HD2 H 1 1.655 0.000 . . . . . A 98 LYS HD2 . 25663 1 1106 . 1 1 98 98 LYS HD3 H 1 1.655 0.000 . . . . . A 98 LYS HD3 . 25663 1 1107 . 1 1 98 98 LYS HE2 H 1 2.947 0.019 . . . . . A 98 LYS HE2 . 25663 1 1108 . 1 1 98 98 LYS HE3 H 1 2.947 0.019 . . . . . A 98 LYS HE3 . 25663 1 1109 . 1 1 98 98 LYS CA C 13 58.042 0.117 . . . . . A 98 LYS CA . 25663 1 1110 . 1 1 98 98 LYS CB C 13 33.273 0.062 . . . . . A 98 LYS CB . 25663 1 1111 . 1 1 98 98 LYS CG C 13 24.800 0.000 . . . . . A 98 LYS CG . 25663 1 1112 . 1 1 98 98 LYS CD C 13 29.203 0.000 . . . . . A 98 LYS CD . 25663 1 1113 . 1 1 98 98 LYS CE C 13 42.092 0.003 . . . . . A 98 LYS CE . 25663 1 1114 . 1 1 98 98 LYS N N 15 127.551 0.010 . . . . . A 98 LYS N . 25663 1 stop_ save_