data_25694 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25694 _Entry.Title ; Structure of constitutively monomeric CXCL12 in complex with the CXCR4 N-terminus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-07 _Entry.Accession_date 2015-07-07 _Entry.Last_release_date 2016-04-25 _Entry.Original_release_date 2016-04-25 _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 Joshua Ziarek . J. . . 25694 2 Francis Peterson . C. . . 25694 3 Brian Volkman . F. . . 25694 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' . 25694 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID COMPLEX . 25694 CXCR4 . 25694 CXL12 . 25694 GPCR . 25694 NMR . 25694 SDF1 . 25694 chemokine . 25694 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25694 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 452 25694 '15N chemical shifts' 110 25694 '1H chemical shifts' 753 25694 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 . . 2016-08-12 2015-07-07 update BMRB 'update entry citation' 25694 1 . . 2016-04-25 2015-07-07 original author 'original release' 25694 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N55 'BMRB Entry Tracking System' 25694 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25694 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27058821 _Citation.Full_citation . _Citation.Title ; Structure-Based Identification of Novel Ligands Targeting Multiple Sites within a Chemokine-G-Protein-Coupled-Receptor Interface ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Med. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 59 _Citation.Journal_issue 9 _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 4342 _Citation.Page_last 4351 _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 Emmanuel Smith . W. . . 25694 1 2 Amanda Nevins . M. . . 25694 1 3 Zhen Qiao . . . . 25694 1 4 Yan Liu . . . . 25694 1 5 Anthony Getschman . E. . . 25694 1 6 Sai Vankayala . L. . . 25694 1 7 'M. Trent' Kemp . . . . 25694 1 8 Francis Peterson . C. . . 25694 1 9 Rongshi Li . . . . 25694 1 10 Brian Volkman . F. . . 25694 1 11 Yu Chen . . . . 25694 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25694 _Assembly.ID 1 _Assembly.Name CXCL12-CXCR4 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 CXCL12 1 $entity_1 A . yes native no no . . . 25694 1 2 CXCR4 2 $entity_2 B . yes native no no . . . 25694 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25694 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMKPVSLSYRCPCRFFESHV ARANVKHLKILNTPNCALQI VARLKNNNRQVCIDPKCKWC QEYLEKALNK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The N-terminal GM dipeptide is a cloning artifact.' _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'L55C and I58C' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8146.729 _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 -1 GLY . 25694 1 2 0 MET . 25694 1 3 1 LYS . 25694 1 4 2 PRO . 25694 1 5 3 VAL . 25694 1 6 4 SER . 25694 1 7 5 LEU . 25694 1 8 6 SER . 25694 1 9 7 TYR . 25694 1 10 8 ARG . 25694 1 11 9 CYS . 25694 1 12 10 PRO . 25694 1 13 11 CYS . 25694 1 14 12 ARG . 25694 1 15 13 PHE . 25694 1 16 14 PHE . 25694 1 17 15 GLU . 25694 1 18 16 SER . 25694 1 19 17 HIS . 25694 1 20 18 VAL . 25694 1 21 19 ALA . 25694 1 22 20 ARG . 25694 1 23 21 ALA . 25694 1 24 22 ASN . 25694 1 25 23 VAL . 25694 1 26 24 LYS . 25694 1 27 25 HIS . 25694 1 28 26 LEU . 25694 1 29 27 LYS . 25694 1 30 28 ILE . 25694 1 31 29 LEU . 25694 1 32 30 ASN . 25694 1 33 31 THR . 25694 1 34 32 PRO . 25694 1 35 33 ASN . 25694 1 36 34 CYS . 25694 1 37 35 ALA . 25694 1 38 36 LEU . 25694 1 39 37 GLN . 25694 1 40 38 ILE . 25694 1 41 39 VAL . 25694 1 42 40 ALA . 25694 1 43 41 ARG . 25694 1 44 42 LEU . 25694 1 45 43 LYS . 25694 1 46 44 ASN . 25694 1 47 45 ASN . 25694 1 48 46 ASN . 25694 1 49 47 ARG . 25694 1 50 48 GLN . 25694 1 51 49 VAL . 25694 1 52 50 CYS . 25694 1 53 51 ILE . 25694 1 54 52 ASP . 25694 1 55 53 PRO . 25694 1 56 54 LYS . 25694 1 57 55 CYS . 25694 1 58 56 LYS . 25694 1 59 57 TRP . 25694 1 60 58 CYS . 25694 1 61 59 GLN . 25694 1 62 60 GLU . 25694 1 63 61 TYR . 25694 1 64 62 LEU . 25694 1 65 63 GLU . 25694 1 66 64 LYS . 25694 1 67 65 ALA . 25694 1 68 66 LEU . 25694 1 69 67 ASN . 25694 1 70 68 LYS . 25694 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 25694 1 . MET 2 2 25694 1 . LYS 3 3 25694 1 . PRO 4 4 25694 1 . VAL 5 5 25694 1 . SER 6 6 25694 1 . LEU 7 7 25694 1 . SER 8 8 25694 1 . TYR 9 9 25694 1 . ARG 10 10 25694 1 . CYS 11 11 25694 1 . PRO 12 12 25694 1 . CYS 13 13 25694 1 . ARG 14 14 25694 1 . PHE 15 15 25694 1 . PHE 16 16 25694 1 . GLU 17 17 25694 1 . SER 18 18 25694 1 . HIS 19 19 25694 1 . VAL 20 20 25694 1 . ALA 21 21 25694 1 . ARG 22 22 25694 1 . ALA 23 23 25694 1 . ASN 24 24 25694 1 . VAL 25 25 25694 1 . LYS 26 26 25694 1 . HIS 27 27 25694 1 . LEU 28 28 25694 1 . LYS 29 29 25694 1 . ILE 30 30 25694 1 . LEU 31 31 25694 1 . ASN 32 32 25694 1 . THR 33 33 25694 1 . PRO 34 34 25694 1 . ASN 35 35 25694 1 . CYS 36 36 25694 1 . ALA 37 37 25694 1 . LEU 38 38 25694 1 . GLN 39 39 25694 1 . ILE 40 40 25694 1 . VAL 41 41 25694 1 . ALA 42 42 25694 1 . ARG 43 43 25694 1 . LEU 44 44 25694 1 . LYS 45 45 25694 1 . ASN 46 46 25694 1 . ASN 47 47 25694 1 . ASN 48 48 25694 1 . ARG 49 49 25694 1 . GLN 50 50 25694 1 . VAL 51 51 25694 1 . CYS 52 52 25694 1 . ILE 53 53 25694 1 . ASP 54 54 25694 1 . PRO 55 55 25694 1 . LYS 56 56 25694 1 . CYS 57 57 25694 1 . LYS 58 58 25694 1 . TRP 59 59 25694 1 . CYS 60 60 25694 1 . GLN 61 61 25694 1 . GLU 62 62 25694 1 . TYR 63 63 25694 1 . LEU 64 64 25694 1 . GLU 65 65 25694 1 . LYS 66 66 25694 1 . ALA 67 67 25694 1 . LEU 68 68 25694 1 . ASN 69 69 25694 1 . LYS 70 70 25694 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 25694 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMEGISIYTSDNYTEEMGS GDYDSMKEPAFREENANFNK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The N-terminal GS dipeptide is a cloning artifact.' _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 40 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C28A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4518.798 _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 1 199 GLY . 25694 2 2 200 SER . 25694 2 3 201 MET . 25694 2 4 202 GLU . 25694 2 5 203 GLY . 25694 2 6 204 ILE . 25694 2 7 205 SER . 25694 2 8 206 ILE . 25694 2 9 207 TYR . 25694 2 10 208 THR . 25694 2 11 209 SER . 25694 2 12 210 ASP . 25694 2 13 211 ASN . 25694 2 14 212 TYR . 25694 2 15 213 THR . 25694 2 16 214 GLU . 25694 2 17 215 GLU . 25694 2 18 216 MET . 25694 2 19 217 GLY . 25694 2 20 218 SER . 25694 2 21 219 GLY . 25694 2 22 220 ASP . 25694 2 23 221 TYR . 25694 2 24 222 ASP . 25694 2 25 223 SER . 25694 2 26 224 MET . 25694 2 27 225 LYS . 25694 2 28 226 GLU . 25694 2 29 227 PRO . 25694 2 30 228 ALA . 25694 2 31 229 PHE . 25694 2 32 230 ARG . 25694 2 33 231 GLU . 25694 2 34 232 GLU . 25694 2 35 233 ASN . 25694 2 36 234 ALA . 25694 2 37 235 ASN . 25694 2 38 236 PHE . 25694 2 39 237 ASN . 25694 2 40 238 LYS . 25694 2 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 25694 2 . SER 2 2 25694 2 . MET 3 3 25694 2 . GLU 4 4 25694 2 . GLY 5 5 25694 2 . ILE 6 6 25694 2 . SER 7 7 25694 2 . ILE 8 8 25694 2 . TYR 9 9 25694 2 . THR 10 10 25694 2 . SER 11 11 25694 2 . ASP 12 12 25694 2 . ASN 13 13 25694 2 . TYR 14 14 25694 2 . THR 15 15 25694 2 . GLU 16 16 25694 2 . GLU 17 17 25694 2 . MET 18 18 25694 2 . GLY 19 19 25694 2 . SER 20 20 25694 2 . GLY 21 21 25694 2 . ASP 22 22 25694 2 . TYR 23 23 25694 2 . ASP 24 24 25694 2 . SER 25 25 25694 2 . MET 26 26 25694 2 . LYS 27 27 25694 2 . GLU 28 28 25694 2 . PRO 29 29 25694 2 . ALA 30 30 25694 2 . PHE 31 31 25694 2 . ARG 32 32 25694 2 . GLU 33 33 25694 2 . GLU 34 34 25694 2 . ASN 35 35 25694 2 . ALA 36 36 25694 2 . ASN 37 37 25694 2 . PHE 38 38 25694 2 . ASN 39 39 25694 2 . LYS 40 40 25694 2 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 25694 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . CXCL12 . 25694 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . CXCR4 . 25694 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 25694 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pQE30 . . . 25694 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pQE30 . . . 25694 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25694 _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 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 2 . . mM . . . . 25694 1 2 MES [U-2H] . . . . . . 25 . . mM . . . . 25694 1 3 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 25694 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 25694 1 5 entity_2 'natural abundance' . . 2 $entity_2 . . 2 . . mM . . . . 25694 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25694 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25694 _Sample.ID 2 _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 entity_2 '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 1 . . mM . . . . 25694 2 2 MES [U-2H] . . . . . . 25 . . mM . . . . 25694 2 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 25694 2 4 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 25694 2 5 entity_1 'natural abundance' . . 1 $entity_1 . . 2 . . mM . . . . 25694 2 6 H2O '[U-99% 2H]' . . . . . . 90 . . % . . . . 25694 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 25694 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 25694 1 pH 6.8 . pH 25694 1 pressure 1 . atm 25694 1 temperature 298 . K 25694 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25694 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25694 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25694 1 'structure solution' 25694 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 25694 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 25694 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25694 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25694 _Software.ID 3 _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' . . 25694 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25694 3 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 25694 _Software.ID 4 _Software.Name GARANT _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels, Guntert, Billeter and Wuthrich' . . 25694 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25694 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25694 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25694 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25694 5 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25694 _Software.ID 6 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25694 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25694 6 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25694 _Software.ID 7 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25694 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25694 7 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 25694 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with a 1H/13C/15N TXI Cryoprobe.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25694 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 'Equipped with a 1H/13C/15N TXI Cryoprobe.' . . 25694 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 25694 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25694 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25694 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25694 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25694 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25694 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25694 1 7 '3D F1-13C filtered/F3-13C edited NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25694 1 8 '3D F1-13C filtered/F3-13C edited NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25694 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 25694 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25694 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25694 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25694 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 25694 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 25694 1 2 '3D 1H-13C NOESY aliphatic' . . . 25694 1 3 '3D 1H-13C NOESY aromatic' . . . 25694 1 4 '3D 1H-15N NOESY' . . . 25694 1 5 '3D 1H-13C NOESY aliphatic' . . . 25694 1 6 '3D 1H-13C NOESY aromatic' . . . 25694 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 3.857 0.000 . 2 . . . A -1 GLY HA2 . 25694 1 2 . 1 1 1 1 GLY HA3 H 1 3.764 0.000 . 2 . . . A -1 GLY HA3 . 25694 1 3 . 1 1 1 1 GLY CA C 13 44.132 0.000 . 1 . . . A -1 GLY CA . 25694 1 4 . 1 1 2 2 MET HA H 1 4.501 0.008 . 1 . . . A 0 MET HA . 25694 1 5 . 1 1 2 2 MET HB2 H 1 2.020 0.000 . 2 . . . A 0 MET HB2 . 25694 1 6 . 1 1 2 2 MET HB3 H 1 2.076 0.000 . 2 . . . A 0 MET HB3 . 25694 1 7 . 1 1 2 2 MET HG2 H 1 2.594 0.000 . 1 . . . A 0 MET HG2 . 25694 1 8 . 1 1 2 2 MET HG3 H 1 2.594 0.000 . 1 . . . A 0 MET HG3 . 25694 1 9 . 1 1 2 2 MET HE1 H 1 2.119 0.000 . 1 . . . A 0 MET HE1 . 25694 1 10 . 1 1 2 2 MET HE2 H 1 2.119 0.000 . 1 . . . A 0 MET HE2 . 25694 1 11 . 1 1 2 2 MET HE3 H 1 2.119 0.000 . 1 . . . A 0 MET HE3 . 25694 1 12 . 1 1 2 2 MET C C 13 176.102 0.000 . 1 . . . A 0 MET C . 25694 1 13 . 1 1 2 2 MET CA C 13 55.781 0.000 . 1 . . . A 0 MET CA . 25694 1 14 . 1 1 2 2 MET CB C 13 33.455 0.000 . 1 . . . A 0 MET CB . 25694 1 15 . 1 1 2 2 MET CG C 13 32.161 0.000 . 1 . . . A 0 MET CG . 25694 1 16 . 1 1 2 2 MET CE C 13 17.283 0.000 . 1 . . . A 0 MET CE . 25694 1 17 . 1 1 3 3 LYS H H 1 8.503 0.000 . 1 . . . A 1 LYS H . 25694 1 18 . 1 1 3 3 LYS HA H 1 4.638 0.000 . 1 . . . A 1 LYS HA . 25694 1 19 . 1 1 3 3 LYS HB2 H 1 1.758 0.000 . 2 . . . A 1 LYS HB2 . 25694 1 20 . 1 1 3 3 LYS HB3 H 1 1.834 0.000 . 2 . . . A 1 LYS HB3 . 25694 1 21 . 1 1 3 3 LYS HG2 H 1 1.494 0.002 . 1 . . . A 1 LYS HG2 . 25694 1 22 . 1 1 3 3 LYS HG3 H 1 1.494 0.002 . 1 . . . A 1 LYS HG3 . 25694 1 23 . 1 1 3 3 LYS HD2 H 1 1.697 0.006 . 1 . . . A 1 LYS HD2 . 25694 1 24 . 1 1 3 3 LYS HD3 H 1 1.697 0.006 . 1 . . . A 1 LYS HD3 . 25694 1 25 . 1 1 3 3 LYS HE2 H 1 3.012 0.007 . 1 . . . A 1 LYS HE2 . 25694 1 26 . 1 1 3 3 LYS HE3 H 1 3.012 0.007 . 1 . . . A 1 LYS HE3 . 25694 1 27 . 1 1 3 3 LYS CA C 13 54.486 0.000 . 1 . . . A 1 LYS CA . 25694 1 28 . 1 1 3 3 LYS CB C 13 32.808 0.000 . 1 . . . A 1 LYS CB . 25694 1 29 . 1 1 3 3 LYS CG C 13 24.854 0.000 . 1 . . . A 1 LYS CG . 25694 1 30 . 1 1 3 3 LYS CD C 13 28.872 0.000 . 1 . . . A 1 LYS CD . 25694 1 31 . 1 1 3 3 LYS CE C 13 42.003 0.000 . 1 . . . A 1 LYS CE . 25694 1 32 . 1 1 3 3 LYS N N 15 124.708 0.000 . 1 . . . A 1 LYS N . 25694 1 33 . 1 1 4 4 PRO HA H 1 4.484 0.000 . 1 . . . A 2 PRO HA . 25694 1 34 . 1 1 4 4 PRO HB2 H 1 2.298 0.000 . 2 . . . A 2 PRO HB2 . 25694 1 35 . 1 1 4 4 PRO HB3 H 1 1.898 0.000 . 2 . . . A 2 PRO HB3 . 25694 1 36 . 1 1 4 4 PRO HG2 H 1 2.041 0.000 . 1 . . . A 2 PRO HG2 . 25694 1 37 . 1 1 4 4 PRO HG3 H 1 2.041 0.000 . 1 . . . A 2 PRO HG3 . 25694 1 38 . 1 1 4 4 PRO HD2 H 1 3.657 0.000 . 2 . . . A 2 PRO HD2 . 25694 1 39 . 1 1 4 4 PRO HD3 H 1 3.870 0.000 . 2 . . . A 2 PRO HD3 . 25694 1 40 . 1 1 4 4 PRO C C 13 177.031 0.000 . 1 . . . A 2 PRO C . 25694 1 41 . 1 1 4 4 PRO CA C 13 63.200 0.000 . 1 . . . A 2 PRO CA . 25694 1 42 . 1 1 4 4 PRO CB C 13 32.161 0.000 . 1 . . . A 2 PRO CB . 25694 1 43 . 1 1 4 4 PRO CG C 13 27.587 0.000 . 1 . . . A 2 PRO CG . 25694 1 44 . 1 1 4 4 PRO CD C 13 50.905 0.000 . 1 . . . A 2 PRO CD . 25694 1 45 . 1 1 5 5 VAL H H 1 8.290 0.000 . 1 . . . A 3 VAL H . 25694 1 46 . 1 1 5 5 VAL HA H 1 4.119 0.000 . 1 . . . A 3 VAL HA . 25694 1 47 . 1 1 5 5 VAL HB H 1 2.084 0.000 . 1 . . . A 3 VAL HB . 25694 1 48 . 1 1 5 5 VAL HG11 H 1 0.967 0.000 . 1 . . . A 3 VAL HG11 . 25694 1 49 . 1 1 5 5 VAL HG12 H 1 0.967 0.000 . 1 . . . A 3 VAL HG12 . 25694 1 50 . 1 1 5 5 VAL HG13 H 1 0.967 0.000 . 1 . . . A 3 VAL HG13 . 25694 1 51 . 1 1 5 5 VAL HG21 H 1 0.967 0.000 . 1 . . . A 3 VAL HG21 . 25694 1 52 . 1 1 5 5 VAL HG22 H 1 0.967 0.000 . 1 . . . A 3 VAL HG22 . 25694 1 53 . 1 1 5 5 VAL HG23 H 1 0.967 0.000 . 1 . . . A 3 VAL HG23 . 25694 1 54 . 1 1 5 5 VAL C C 13 176.393 0.000 . 1 . . . A 3 VAL C . 25694 1 55 . 1 1 5 5 VAL CA C 13 62.495 0.000 . 1 . . . A 3 VAL CA . 25694 1 56 . 1 1 5 5 VAL CB C 13 33.100 0.000 . 1 . . . A 3 VAL CB . 25694 1 57 . 1 1 5 5 VAL CG1 C 13 21.150 0.000 . 1 . . . A 3 VAL CG1 . 25694 1 58 . 1 1 5 5 VAL N N 15 120.641 0.000 . 1 . . . A 3 VAL N . 25694 1 59 . 1 1 6 6 SER H H 1 8.349 0.000 . 1 . . . A 4 SER H . 25694 1 60 . 1 1 6 6 SER HA H 1 4.470 0.000 . 1 . . . A 4 SER HA . 25694 1 61 . 1 1 6 6 SER HB2 H 1 3.857 0.000 . 1 . . . A 4 SER HB2 . 25694 1 62 . 1 1 6 6 SER HB3 H 1 3.857 0.000 . 1 . . . A 4 SER HB3 . 25694 1 63 . 1 1 6 6 SER C C 13 174.617 0.000 . 1 . . . A 4 SER C . 25694 1 64 . 1 1 6 6 SER CA C 13 58.369 0.000 . 1 . . . A 4 SER CA . 25694 1 65 . 1 1 6 6 SER CB C 13 64.187 0.000 . 1 . . . A 4 SER CB . 25694 1 66 . 1 1 6 6 SER N N 15 119.097 0.000 . 1 . . . A 4 SER N . 25694 1 67 . 1 1 7 7 LEU H H 1 8.339 0.000 . 1 . . . A 5 LEU H . 25694 1 68 . 1 1 7 7 LEU HA H 1 4.380 0.000 . 1 . . . A 5 LEU HA . 25694 1 69 . 1 1 7 7 LEU HB2 H 1 1.521 0.010 . 1 . . . A 5 LEU HB2 . 25694 1 70 . 1 1 7 7 LEU HB3 H 1 1.521 0.010 . 1 . . . A 5 LEU HB3 . 25694 1 71 . 1 1 7 7 LEU HG H 1 1.639 0.011 . 1 . . . A 5 LEU HG . 25694 1 72 . 1 1 7 7 LEU HD11 H 1 0.899 0.000 . 1 . . . A 5 LEU HD11 . 25694 1 73 . 1 1 7 7 LEU HD12 H 1 0.899 0.000 . 1 . . . A 5 LEU HD12 . 25694 1 74 . 1 1 7 7 LEU HD13 H 1 0.899 0.000 . 1 . . . A 5 LEU HD13 . 25694 1 75 . 1 1 7 7 LEU HD21 H 1 0.899 0.000 . 1 . . . A 5 LEU HD21 . 25694 1 76 . 1 1 7 7 LEU HD22 H 1 0.899 0.000 . 1 . . . A 5 LEU HD22 . 25694 1 77 . 1 1 7 7 LEU HD23 H 1 0.899 0.000 . 1 . . . A 5 LEU HD23 . 25694 1 78 . 1 1 7 7 LEU C C 13 177.355 0.000 . 1 . . . A 5 LEU C . 25694 1 79 . 1 1 7 7 LEU CA C 13 55.388 0.000 . 1 . . . A 5 LEU CA . 25694 1 80 . 1 1 7 7 LEU CB C 13 42.515 0.000 . 1 . . . A 5 LEU CB . 25694 1 81 . 1 1 7 7 LEU CG C 13 27.585 0.056 . 1 . . . A 5 LEU CG . 25694 1 82 . 1 1 7 7 LEU CD1 C 13 25.329 0.000 . 1 . . . A 5 LEU CD1 . 25694 1 83 . 1 1 7 7 LEU N N 15 124.723 0.000 . 1 . . . A 5 LEU N . 25694 1 84 . 1 1 8 8 SER H H 1 8.199 0.000 . 1 . . . A 6 SER H . 25694 1 85 . 1 1 8 8 SER HA H 1 4.414 0.000 . 1 . . . A 6 SER HA . 25694 1 86 . 1 1 8 8 SER HB2 H 1 3.812 0.000 . 1 . . . A 6 SER HB2 . 25694 1 87 . 1 1 8 8 SER HB3 H 1 3.812 0.000 . 1 . . . A 6 SER HB3 . 25694 1 88 . 1 1 8 8 SER C C 13 174.235 0.000 . 1 . . . A 6 SER C . 25694 1 89 . 1 1 8 8 SER CA C 13 58.369 0.000 . 1 . . . A 6 SER CA . 25694 1 90 . 1 1 8 8 SER CB C 13 64.187 0.000 . 1 . . . A 6 SER CB . 25694 1 91 . 1 1 8 8 SER N N 15 115.926 0.000 . 1 . . . A 6 SER N . 25694 1 92 . 1 1 9 9 TYR H H 1 8.049 0.000 . 1 . . . A 7 TYR H . 25694 1 93 . 1 1 9 9 TYR HA H 1 4.576 0.000 . 1 . . . A 7 TYR HA . 25694 1 94 . 1 1 9 9 TYR HB2 H 1 2.937 0.000 . 2 . . . A 7 TYR HB2 . 25694 1 95 . 1 1 9 9 TYR HB3 H 1 3.073 0.000 . 2 . . . A 7 TYR HB3 . 25694 1 96 . 1 1 9 9 TYR HD1 H 1 7.109 0.000 . 1 . . . A 7 TYR HD1 . 25694 1 97 . 1 1 9 9 TYR HD2 H 1 7.109 0.000 . 1 . . . A 7 TYR HD2 . 25694 1 98 . 1 1 9 9 TYR HE1 H 1 6.822 0.000 . 1 . . . A 7 TYR HE1 . 25694 1 99 . 1 1 9 9 TYR HE2 H 1 6.822 0.000 . 1 . . . A 7 TYR HE2 . 25694 1 100 . 1 1 9 9 TYR C C 13 175.530 0.000 . 1 . . . A 7 TYR C . 25694 1 101 . 1 1 9 9 TYR CA C 13 58.008 0.000 . 1 . . . A 7 TYR CA . 25694 1 102 . 1 1 9 9 TYR CB C 13 38.969 0.055 . 1 . . . A 7 TYR CB . 25694 1 103 . 1 1 9 9 TYR CD2 C 13 133.345 0.000 . 1 . . . A 7 TYR CD2 . 25694 1 104 . 1 1 9 9 TYR CE2 C 13 118.588 0.000 . 1 . . . A 7 TYR CE2 . 25694 1 105 . 1 1 9 9 TYR N N 15 122.124 0.000 . 1 . . . A 7 TYR N . 25694 1 106 . 1 1 10 10 ARG H H 1 8.177 0.000 . 1 . . . A 8 ARG H . 25694 1 107 . 1 1 10 10 ARG HA H 1 4.326 0.000 . 1 . . . A 8 ARG HA . 25694 1 108 . 1 1 10 10 ARG HB2 H 1 1.701 0.000 . 2 . . . A 8 ARG HB2 . 25694 1 109 . 1 1 10 10 ARG HB3 H 1 1.822 0.000 . 2 . . . A 8 ARG HB3 . 25694 1 110 . 1 1 10 10 ARG HG2 H 1 1.534 0.000 . 1 . . . A 8 ARG HG2 . 25694 1 111 . 1 1 10 10 ARG HG3 H 1 1.534 0.000 . 1 . . . A 8 ARG HG3 . 25694 1 112 . 1 1 10 10 ARG HD2 H 1 3.154 0.000 . 1 . . . A 8 ARG HD2 . 25694 1 113 . 1 1 10 10 ARG HD3 H 1 3.154 0.000 . 1 . . . A 8 ARG HD3 . 25694 1 114 . 1 1 10 10 ARG C C 13 175.845 0.000 . 1 . . . A 8 ARG C . 25694 1 115 . 1 1 10 10 ARG CA C 13 56.104 0.000 . 1 . . . A 8 ARG CA . 25694 1 116 . 1 1 10 10 ARG CB C 13 31.100 0.000 . 1 . . . A 8 ARG CB . 25694 1 117 . 1 1 10 10 ARG CG C 13 27.118 0.000 . 1 . . . A 8 ARG CG . 25694 1 118 . 1 1 10 10 ARG CD C 13 43.400 0.000 . 1 . . . A 8 ARG CD . 25694 1 119 . 1 1 10 10 ARG N N 15 121.947 0.000 . 1 . . . A 8 ARG N . 25694 1 120 . 1 1 11 11 CYS H H 1 8.173 0.000 . 1 . . . A 9 CYS H . 25694 1 121 . 1 1 11 11 CYS HA H 1 4.954 0.000 . 1 . . . A 9 CYS HA . 25694 1 122 . 1 1 11 11 CYS HB2 H 1 3.309 0.000 . 2 . . . A 9 CYS HB2 . 25694 1 123 . 1 1 11 11 CYS HB3 H 1 2.774 0.000 . 2 . . . A 9 CYS HB3 . 25694 1 124 . 1 1 11 11 CYS CA C 13 53.127 0.000 . 1 . . . A 9 CYS CA . 25694 1 125 . 1 1 11 11 CYS CB C 13 40.218 0.000 . 1 . . . A 9 CYS CB . 25694 1 126 . 1 1 11 11 CYS N N 15 120.943 0.000 . 1 . . . A 9 CYS N . 25694 1 127 . 1 1 12 12 PRO HA H 1 4.352 0.000 . 1 . . . A 10 PRO HA . 25694 1 128 . 1 1 12 12 PRO HB2 H 1 2.269 0.000 . 2 . . . A 10 PRO HB2 . 25694 1 129 . 1 1 12 12 PRO HB3 H 1 1.892 0.000 . 2 . . . A 10 PRO HB3 . 25694 1 130 . 1 1 12 12 PRO HG2 H 1 2.038 0.000 . 1 . . . A 10 PRO HG2 . 25694 1 131 . 1 1 12 12 PRO HG3 H 1 2.038 0.000 . 1 . . . A 10 PRO HG3 . 25694 1 132 . 1 1 12 12 PRO HD2 H 1 3.828 0.000 . 1 . . . A 10 PRO HD2 . 25694 1 133 . 1 1 12 12 PRO HD3 H 1 3.828 0.000 . 1 . . . A 10 PRO HD3 . 25694 1 134 . 1 1 12 12 PRO C C 13 177.347 0.000 . 1 . . . A 10 PRO C . 25694 1 135 . 1 1 12 12 PRO CA C 13 64.859 0.000 . 1 . . . A 10 PRO CA . 25694 1 136 . 1 1 12 12 PRO CB C 13 32.508 0.000 . 1 . . . A 10 PRO CB . 25694 1 137 . 1 1 12 12 PRO CG C 13 27.626 0.014 . 1 . . . A 10 PRO CG . 25694 1 138 . 1 1 12 12 PRO CD C 13 50.920 0.000 . 1 . . . A 10 PRO CD . 25694 1 139 . 1 1 13 13 CYS H H 1 8.232 0.000 . 1 . . . A 11 CYS H . 25694 1 140 . 1 1 13 13 CYS HA H 1 4.725 0.008 . 1 . . . A 11 CYS HA . 25694 1 141 . 1 1 13 13 CYS HB2 H 1 2.794 0.000 . 2 . . . A 11 CYS HB2 . 25694 1 142 . 1 1 13 13 CYS HB3 H 1 2.975 0.000 . 2 . . . A 11 CYS HB3 . 25694 1 143 . 1 1 13 13 CYS CA C 13 53.429 0.000 . 1 . . . A 11 CYS CA . 25694 1 144 . 1 1 13 13 CYS CB C 13 39.279 0.000 . 1 . . . A 11 CYS CB . 25694 1 145 . 1 1 13 13 CYS N N 15 114.096 0.000 . 1 . . . A 11 CYS N . 25694 1 146 . 1 1 14 14 ARG HA H 1 4.069 0.000 . 1 . . . A 12 ARG HA . 25694 1 147 . 1 1 14 14 ARG HB2 H 1 1.542 0.000 . 1 . . . A 12 ARG HB2 . 25694 1 148 . 1 1 14 14 ARG HB3 H 1 1.542 0.000 . 1 . . . A 12 ARG HB3 . 25694 1 149 . 1 1 14 14 ARG HG2 H 1 1.250 0.005 . 2 . . . A 12 ARG HG2 . 25694 1 150 . 1 1 14 14 ARG HG3 H 1 1.351 0.000 . 2 . . . A 12 ARG HG3 . 25694 1 151 . 1 1 14 14 ARG HD2 H 1 3.018 0.000 . 1 . . . A 12 ARG HD2 . 25694 1 152 . 1 1 14 14 ARG HD3 H 1 3.018 0.000 . 1 . . . A 12 ARG HD3 . 25694 1 153 . 1 1 14 14 ARG C C 13 175.106 0.000 . 1 . . . A 12 ARG C . 25694 1 154 . 1 1 14 14 ARG CA C 13 57.000 0.000 . 1 . . . A 12 ARG CA . 25694 1 155 . 1 1 14 14 ARG CB C 13 31.500 0.000 . 1 . . . A 12 ARG CB . 25694 1 156 . 1 1 14 14 ARG CG C 13 26.900 0.010 . 1 . . . A 12 ARG CG . 25694 1 157 . 1 1 14 14 ARG CD C 13 43.350 0.000 . 1 . . . A 12 ARG CD . 25694 1 158 . 1 1 15 15 PHE H H 1 7.572 0.000 . 1 . . . A 13 PHE H . 25694 1 159 . 1 1 15 15 PHE HA H 1 4.630 0.000 . 1 . . . A 13 PHE HA . 25694 1 160 . 1 1 15 15 PHE HB2 H 1 2.825 0.000 . 2 . . . A 13 PHE HB2 . 25694 1 161 . 1 1 15 15 PHE HB3 H 1 3.138 0.000 . 2 . . . A 13 PHE HB3 . 25694 1 162 . 1 1 15 15 PHE HD1 H 1 7.213 0.000 . 1 . . . A 13 PHE HD1 . 25694 1 163 . 1 1 15 15 PHE HD2 H 1 7.213 0.000 . 1 . . . A 13 PHE HD2 . 25694 1 164 . 1 1 15 15 PHE HE1 H 1 7.345 0.000 . 1 . . . A 13 PHE HE1 . 25694 1 165 . 1 1 15 15 PHE HE2 H 1 7.345 0.000 . 1 . . . A 13 PHE HE2 . 25694 1 166 . 1 1 15 15 PHE C C 13 174.227 0.000 . 1 . . . A 13 PHE C . 25694 1 167 . 1 1 15 15 PHE CA C 13 55.971 0.000 . 1 . . . A 13 PHE CA . 25694 1 168 . 1 1 15 15 PHE CB C 13 41.059 0.000 . 1 . . . A 13 PHE CB . 25694 1 169 . 1 1 15 15 PHE CD2 C 13 132.565 0.000 . 1 . . . A 13 PHE CD2 . 25694 1 170 . 1 1 15 15 PHE CE2 C 13 131.789 0.000 . 1 . . . A 13 PHE CE2 . 25694 1 171 . 1 1 15 15 PHE N N 15 116.259 0.000 . 1 . . . A 13 PHE N . 25694 1 172 . 1 1 16 16 PHE H H 1 8.450 0.000 . 1 . . . A 14 PHE H . 25694 1 173 . 1 1 16 16 PHE HA H 1 4.936 0.000 . 1 . . . A 14 PHE HA . 25694 1 174 . 1 1 16 16 PHE HB2 H 1 2.837 0.013 . 1 . . . A 14 PHE HB2 . 25694 1 175 . 1 1 16 16 PHE HB3 H 1 2.837 0.013 . 1 . . . A 14 PHE HB3 . 25694 1 176 . 1 1 16 16 PHE HD1 H 1 7.030 0.000 . 1 . . . A 14 PHE HD1 . 25694 1 177 . 1 1 16 16 PHE HD2 H 1 7.030 0.000 . 1 . . . A 14 PHE HD2 . 25694 1 178 . 1 1 16 16 PHE HE1 H 1 7.295 0.000 . 1 . . . A 14 PHE HE1 . 25694 1 179 . 1 1 16 16 PHE HE2 H 1 7.295 0.000 . 1 . . . A 14 PHE HE2 . 25694 1 180 . 1 1 16 16 PHE C C 13 175.496 0.000 . 1 . . . A 14 PHE C . 25694 1 181 . 1 1 16 16 PHE CA C 13 56.147 0.066 . 1 . . . A 14 PHE CA . 25694 1 182 . 1 1 16 16 PHE CB C 13 41.544 0.000 . 1 . . . A 14 PHE CB . 25694 1 183 . 1 1 16 16 PHE CD2 C 13 132.047 0.000 . 1 . . . A 14 PHE CD2 . 25694 1 184 . 1 1 16 16 PHE CE2 C 13 131.789 0.000 . 1 . . . A 14 PHE CE2 . 25694 1 185 . 1 1 16 16 PHE N N 15 119.623 0.000 . 1 . . . A 14 PHE N . 25694 1 186 . 1 1 17 17 GLU H H 1 8.956 0.000 . 1 . . . A 15 GLU H . 25694 1 187 . 1 1 17 17 GLU HA H 1 4.635 0.000 . 1 . . . A 15 GLU HA . 25694 1 188 . 1 1 17 17 GLU HB2 H 1 2.115 0.001 . 2 . . . A 15 GLU HB2 . 25694 1 189 . 1 1 17 17 GLU HB3 H 1 1.893 0.013 . 2 . . . A 15 GLU HB3 . 25694 1 190 . 1 1 17 17 GLU HG2 H 1 2.299 0.002 . 2 . . . A 15 GLU HG2 . 25694 1 191 . 1 1 17 17 GLU HG3 H 1 2.416 0.000 . 2 . . . A 15 GLU HG3 . 25694 1 192 . 1 1 17 17 GLU C C 13 176.990 0.000 . 1 . . . A 15 GLU C . 25694 1 193 . 1 1 17 17 GLU CA C 13 55.780 0.000 . 1 . . . A 15 GLU CA . 25694 1 194 . 1 1 17 17 GLU CB C 13 31.109 0.028 . 1 . . . A 15 GLU CB . 25694 1 195 . 1 1 17 17 GLU CG C 13 36.000 0.000 . 1 . . . A 15 GLU CG . 25694 1 196 . 1 1 17 17 GLU N N 15 122.147 0.000 . 1 . . . A 15 GLU N . 25694 1 197 . 1 1 18 18 SER H H 1 8.943 0.000 . 1 . . . A 16 SER H . 25694 1 198 . 1 1 18 18 SER HA H 1 4.598 0.000 . 1 . . . A 16 SER HA . 25694 1 199 . 1 1 18 18 SER HB2 H 1 3.727 0.013 . 1 . . . A 16 SER HB2 . 25694 1 200 . 1 1 18 18 SER HB3 H 1 3.727 0.013 . 1 . . . A 16 SER HB3 . 25694 1 201 . 1 1 18 18 SER C C 13 174.385 0.000 . 1 . . . A 16 SER C . 25694 1 202 . 1 1 18 18 SER CA C 13 59.799 0.000 . 1 . . . A 16 SER CA . 25694 1 203 . 1 1 18 18 SER CB C 13 64.517 0.000 . 1 . . . A 16 SER CB . 25694 1 204 . 1 1 18 18 SER N N 15 119.943 0.000 . 1 . . . A 16 SER N . 25694 1 205 . 1 1 19 19 HIS H H 1 8.649 0.000 . 1 . . . A 17 HIS H . 25694 1 206 . 1 1 19 19 HIS HA H 1 4.700 0.000 . 1 . . . A 17 HIS HA . 25694 1 207 . 1 1 19 19 HIS HB2 H 1 3.225 0.000 . 1 . . . A 17 HIS HB2 . 25694 1 208 . 1 1 19 19 HIS HB3 H 1 3.225 0.000 . 1 . . . A 17 HIS HB3 . 25694 1 209 . 1 1 19 19 HIS HD2 H 1 7.132 0.003 . 1 . . . A 17 HIS HD2 . 25694 1 210 . 1 1 19 19 HIS HE1 H 1 8.023 0.000 . 1 . . . A 17 HIS HE1 . 25694 1 211 . 1 1 19 19 HIS C C 13 174.567 0.000 . 1 . . . A 17 HIS C . 25694 1 212 . 1 1 19 19 HIS CA C 13 56.751 0.000 . 1 . . . A 17 HIS CA . 25694 1 213 . 1 1 19 19 HIS CB C 13 29.896 0.000 . 1 . . . A 17 HIS CB . 25694 1 214 . 1 1 19 19 HIS CD2 C 13 120.141 0.000 . 1 . . . A 17 HIS CD2 . 25694 1 215 . 1 1 19 19 HIS CE1 C 13 138.260 0.000 . 1 . . . A 17 HIS CE1 . 25694 1 216 . 1 1 19 19 HIS N N 15 119.124 0.000 . 1 . . . A 17 HIS N . 25694 1 217 . 1 1 20 20 VAL H H 1 7.876 0.000 . 1 . . . A 18 VAL H . 25694 1 218 . 1 1 20 20 VAL HA H 1 4.157 0.000 . 1 . . . A 18 VAL HA . 25694 1 219 . 1 1 20 20 VAL HB H 1 2.011 0.000 . 1 . . . A 18 VAL HB . 25694 1 220 . 1 1 20 20 VAL HG11 H 1 0.930 0.000 . 1 . . . A 18 VAL HG11 . 25694 1 221 . 1 1 20 20 VAL HG12 H 1 0.930 0.000 . 1 . . . A 18 VAL HG12 . 25694 1 222 . 1 1 20 20 VAL HG13 H 1 0.930 0.000 . 1 . . . A 18 VAL HG13 . 25694 1 223 . 1 1 20 20 VAL HG21 H 1 0.930 0.000 . 1 . . . A 18 VAL HG21 . 25694 1 224 . 1 1 20 20 VAL HG22 H 1 0.930 0.000 . 1 . . . A 18 VAL HG22 . 25694 1 225 . 1 1 20 20 VAL HG23 H 1 0.930 0.000 . 1 . . . A 18 VAL HG23 . 25694 1 226 . 1 1 20 20 VAL C C 13 175.140 0.000 . 1 . . . A 18 VAL C . 25694 1 227 . 1 1 20 20 VAL CA C 13 61.928 0.000 . 1 . . . A 18 VAL CA . 25694 1 228 . 1 1 20 20 VAL CB C 13 33.700 0.000 . 1 . . . A 18 VAL CB . 25694 1 229 . 1 1 20 20 VAL CG1 C 13 22.130 0.000 . 1 . . . A 18 VAL CG1 . 25694 1 230 . 1 1 20 20 VAL N N 15 121.960 0.000 . 1 . . . A 18 VAL N . 25694 1 231 . 1 1 21 21 ALA H H 1 8.843 0.000 . 1 . . . A 19 ALA H . 25694 1 232 . 1 1 21 21 ALA HA H 1 4.515 0.000 . 1 . . . A 19 ALA HA . 25694 1 233 . 1 1 21 21 ALA HB1 H 1 1.441 0.000 . 1 . . . A 19 ALA HB1 . 25694 1 234 . 1 1 21 21 ALA HB2 H 1 1.441 0.000 . 1 . . . A 19 ALA HB2 . 25694 1 235 . 1 1 21 21 ALA HB3 H 1 1.441 0.000 . 1 . . . A 19 ALA HB3 . 25694 1 236 . 1 1 21 21 ALA C C 13 178.060 0.000 . 1 . . . A 19 ALA C . 25694 1 237 . 1 1 21 21 ALA CA C 13 51.500 0.000 . 1 . . . A 19 ALA CA . 25694 1 238 . 1 1 21 21 ALA CB C 13 18.884 0.000 . 1 . . . A 19 ALA CB . 25694 1 239 . 1 1 21 21 ALA N N 15 132.226 0.000 . 1 . . . A 19 ALA N . 25694 1 240 . 1 1 22 22 ARG H H 1 8.196 0.000 . 1 . . . A 20 ARG H . 25694 1 241 . 1 1 22 22 ARG HA H 1 2.837 0.000 . 1 . . . A 20 ARG HA . 25694 1 242 . 1 1 22 22 ARG HB2 H 1 1.135 0.000 . 2 . . . A 20 ARG HB2 . 25694 1 243 . 1 1 22 22 ARG HB3 H 1 0.202 0.000 . 2 . . . A 20 ARG HB3 . 25694 1 244 . 1 1 22 22 ARG HG2 H 1 0.635 0.000 . 2 . . . A 20 ARG HG2 . 25694 1 245 . 1 1 22 22 ARG HG3 H 1 1.026 0.000 . 2 . . . A 20 ARG HG3 . 25694 1 246 . 1 1 22 22 ARG HD2 H 1 2.218 0.000 . 2 . . . A 20 ARG HD2 . 25694 1 247 . 1 1 22 22 ARG HD3 H 1 2.380 0.000 . 2 . . . A 20 ARG HD3 . 25694 1 248 . 1 1 22 22 ARG C C 13 178.459 0.000 . 1 . . . A 20 ARG C . 25694 1 249 . 1 1 22 22 ARG CA C 13 58.639 0.000 . 1 . . . A 20 ARG CA . 25694 1 250 . 1 1 22 22 ARG CB C 13 28.925 0.000 . 1 . . . A 20 ARG CB . 25694 1 251 . 1 1 22 22 ARG CG C 13 26.337 0.000 . 1 . . . A 20 ARG CG . 25694 1 252 . 1 1 22 22 ARG CD C 13 42.838 0.000 . 1 . . . A 20 ARG CD . 25694 1 253 . 1 1 22 22 ARG N N 15 125.791 0.000 . 1 . . . A 20 ARG N . 25694 1 254 . 1 1 23 23 ALA H H 1 8.309 0.000 . 1 . . . A 21 ALA H . 25694 1 255 . 1 1 23 23 ALA HA H 1 4.082 0.000 . 1 . . . A 21 ALA HA . 25694 1 256 . 1 1 23 23 ALA HB1 H 1 1.316 0.000 . 1 . . . A 21 ALA HB1 . 25694 1 257 . 1 1 23 23 ALA HB2 H 1 1.316 0.000 . 1 . . . A 21 ALA HB2 . 25694 1 258 . 1 1 23 23 ALA HB3 H 1 1.316 0.000 . 1 . . . A 21 ALA HB3 . 25694 1 259 . 1 1 23 23 ALA C C 13 177.745 0.000 . 1 . . . A 21 ALA C . 25694 1 260 . 1 1 23 23 ALA CA C 13 53.809 0.000 . 1 . . . A 21 ALA CA . 25694 1 261 . 1 1 23 23 ALA CB C 13 18.884 0.000 . 1 . . . A 21 ALA CB . 25694 1 262 . 1 1 23 23 ALA N N 15 117.396 0.000 . 1 . . . A 21 ALA N . 25694 1 263 . 1 1 24 24 ASN H H 1 7.796 0.000 . 1 . . . A 22 ASN H . 25694 1 264 . 1 1 24 24 ASN HA H 1 4.974 0.010 . 1 . . . A 22 ASN HA . 25694 1 265 . 1 1 24 24 ASN HB2 H 1 3.102 0.000 . 2 . . . A 22 ASN HB2 . 25694 1 266 . 1 1 24 24 ASN HB3 H 1 2.741 0.000 . 2 . . . A 22 ASN HB3 . 25694 1 267 . 1 1 24 24 ASN HD21 H 1 7.117 0.000 . 2 . . . A 22 ASN HD21 . 25694 1 268 . 1 1 24 24 ASN HD22 H 1 7.707 0.000 . 2 . . . A 22 ASN HD22 . 25694 1 269 . 1 1 24 24 ASN C C 13 174.999 0.000 . 1 . . . A 22 ASN C . 25694 1 270 . 1 1 24 24 ASN CA C 13 52.590 0.000 . 1 . . . A 22 ASN CA . 25694 1 271 . 1 1 24 24 ASN CB C 13 39.900 0.000 . 1 . . . A 22 ASN CB . 25694 1 272 . 1 1 24 24 ASN N N 15 113.201 0.000 . 1 . . . A 22 ASN N . 25694 1 273 . 1 1 24 24 ASN ND2 N 15 112.423 0.000 . 1 . . . A 22 ASN ND2 . 25694 1 274 . 1 1 25 25 VAL H H 1 7.477 0.000 . 1 . . . A 23 VAL H . 25694 1 275 . 1 1 25 25 VAL HA H 1 4.488 0.000 . 1 . . . A 23 VAL HA . 25694 1 276 . 1 1 25 25 VAL HB H 1 2.040 0.000 . 1 . . . A 23 VAL HB . 25694 1 277 . 1 1 25 25 VAL HG11 H 1 0.802 0.000 . 2 . . . A 23 VAL HG11 . 25694 1 278 . 1 1 25 25 VAL HG12 H 1 0.802 0.000 . 2 . . . A 23 VAL HG12 . 25694 1 279 . 1 1 25 25 VAL HG13 H 1 0.802 0.000 . 2 . . . A 23 VAL HG13 . 25694 1 280 . 1 1 25 25 VAL HG21 H 1 0.799 0.000 . 2 . . . A 23 VAL HG21 . 25694 1 281 . 1 1 25 25 VAL HG22 H 1 0.799 0.000 . 2 . . . A 23 VAL HG22 . 25694 1 282 . 1 1 25 25 VAL HG23 H 1 0.799 0.000 . 2 . . . A 23 VAL HG23 . 25694 1 283 . 1 1 25 25 VAL C C 13 174.393 0.000 . 1 . . . A 23 VAL C . 25694 1 284 . 1 1 25 25 VAL CA C 13 62.250 0.000 . 1 . . . A 23 VAL CA . 25694 1 285 . 1 1 25 25 VAL CB C 13 33.700 0.000 . 1 . . . A 23 VAL CB . 25694 1 286 . 1 1 25 25 VAL CG1 C 13 21.165 0.000 . 1 . . . A 23 VAL CG1 . 25694 1 287 . 1 1 25 25 VAL CG2 C 13 23.101 0.000 . 1 . . . A 23 VAL CG2 . 25694 1 288 . 1 1 25 25 VAL N N 15 117.829 0.000 . 1 . . . A 23 VAL N . 25694 1 289 . 1 1 26 26 LYS H H 1 9.276 0.000 . 1 . . . A 24 LYS H . 25694 1 290 . 1 1 26 26 LYS HA H 1 4.480 0.000 . 1 . . . A 24 LYS HA . 25694 1 291 . 1 1 26 26 LYS HB2 H 1 1.511 0.000 . 1 . . . A 24 LYS HB2 . 25694 1 292 . 1 1 26 26 LYS HB3 H 1 1.511 0.000 . 1 . . . A 24 LYS HB3 . 25694 1 293 . 1 1 26 26 LYS HG2 H 1 1.073 0.000 . 2 . . . A 24 LYS HG2 . 25694 1 294 . 1 1 26 26 LYS HG3 H 1 1.150 0.000 . 2 . . . A 24 LYS HG3 . 25694 1 295 . 1 1 26 26 LYS HD2 H 1 1.560 0.000 . 1 . . . A 24 LYS HD2 . 25694 1 296 . 1 1 26 26 LYS HD3 H 1 1.560 0.000 . 1 . . . A 24 LYS HD3 . 25694 1 297 . 1 1 26 26 LYS HE2 H 1 2.866 0.000 . 1 . . . A 24 LYS HE2 . 25694 1 298 . 1 1 26 26 LYS HE3 H 1 2.866 0.000 . 1 . . . A 24 LYS HE3 . 25694 1 299 . 1 1 26 26 LYS C C 13 175.090 0.000 . 1 . . . A 24 LYS C . 25694 1 300 . 1 1 26 26 LYS CA C 13 56.104 0.000 . 1 . . . A 24 LYS CA . 25694 1 301 . 1 1 26 26 LYS CB C 13 35.396 0.000 . 1 . . . A 24 LYS CB . 25694 1 302 . 1 1 26 26 LYS CG C 13 24.674 0.000 . 1 . . . A 24 LYS CG . 25694 1 303 . 1 1 26 26 LYS CD C 13 29.834 0.000 . 1 . . . A 24 LYS CD . 25694 1 304 . 1 1 26 26 LYS CE C 13 42.457 0.093 . 1 . . . A 24 LYS CE . 25694 1 305 . 1 1 26 26 LYS N N 15 123.962 0.000 . 1 . . . A 24 LYS N . 25694 1 306 . 1 1 27 27 HIS H H 1 7.964 0.000 . 1 . . . A 25 HIS H . 25694 1 307 . 1 1 27 27 HIS HA H 1 4.703 0.000 . 1 . . . A 25 HIS HA . 25694 1 308 . 1 1 27 27 HIS HB2 H 1 3.092 0.000 . 2 . . . A 25 HIS HB2 . 25694 1 309 . 1 1 27 27 HIS HB3 H 1 3.129 0.000 . 2 . . . A 25 HIS HB3 . 25694 1 310 . 1 1 27 27 HIS HD2 H 1 6.899 0.000 . 1 . . . A 25 HIS HD2 . 25694 1 311 . 1 1 27 27 HIS HE1 H 1 7.740 0.000 . 1 . . . A 25 HIS HE1 . 25694 1 312 . 1 1 27 27 HIS C C 13 173.364 0.000 . 1 . . . A 25 HIS C . 25694 1 313 . 1 1 27 27 HIS CA C 13 55.781 0.000 . 1 . . . A 25 HIS CA . 25694 1 314 . 1 1 27 27 HIS CB C 13 32.161 0.000 . 1 . . . A 25 HIS CB . 25694 1 315 . 1 1 27 27 HIS CD2 C 13 120.141 0.000 . 1 . . . A 25 HIS CD2 . 25694 1 316 . 1 1 27 27 HIS CE1 C 13 138.518 0.000 . 1 . . . A 25 HIS CE1 . 25694 1 317 . 1 1 27 27 HIS N N 15 115.921 0.000 . 1 . . . A 25 HIS N . 25694 1 318 . 1 1 28 28 LEU H H 1 8.076 0.000 . 1 . . . A 26 LEU H . 25694 1 319 . 1 1 28 28 LEU HA H 1 4.968 0.011 . 1 . . . A 26 LEU HA . 25694 1 320 . 1 1 28 28 LEU HB2 H 1 1.400 0.018 . 1 . . . A 26 LEU HB2 . 25694 1 321 . 1 1 28 28 LEU HB3 H 1 1.400 0.018 . 1 . . . A 26 LEU HB3 . 25694 1 322 . 1 1 28 28 LEU HG H 1 1.372 0.008 . 1 . . . A 26 LEU HG . 25694 1 323 . 1 1 28 28 LEU HD11 H 1 0.604 0.020 . 2 . . . A 26 LEU HD11 . 25694 1 324 . 1 1 28 28 LEU HD12 H 1 0.604 0.020 . 2 . . . A 26 LEU HD12 . 25694 1 325 . 1 1 28 28 LEU HD13 H 1 0.604 0.020 . 2 . . . A 26 LEU HD13 . 25694 1 326 . 1 1 28 28 LEU HD21 H 1 0.542 0.007 . 2 . . . A 26 LEU HD21 . 25694 1 327 . 1 1 28 28 LEU HD22 H 1 0.542 0.007 . 2 . . . A 26 LEU HD22 . 25694 1 328 . 1 1 28 28 LEU HD23 H 1 0.542 0.007 . 2 . . . A 26 LEU HD23 . 25694 1 329 . 1 1 28 28 LEU C C 13 175.720 0.000 . 1 . . . A 26 LEU C . 25694 1 330 . 1 1 28 28 LEU CA C 13 55.457 0.000 . 1 . . . A 26 LEU CA . 25694 1 331 . 1 1 28 28 LEU CB C 13 45.594 0.000 . 1 . . . A 26 LEU CB . 25694 1 332 . 1 1 28 28 LEU CG C 13 27.300 0.000 . 1 . . . A 26 LEU CG . 25694 1 333 . 1 1 28 28 LEU CD1 C 13 25.690 0.000 . 1 . . . A 26 LEU CD1 . 25694 1 334 . 1 1 28 28 LEU CD2 C 13 25.360 0.000 . 1 . . . A 26 LEU CD2 . 25694 1 335 . 1 1 28 28 LEU N N 15 122.215 0.000 . 1 . . . A 26 LEU N . 25694 1 336 . 1 1 29 29 LYS H H 1 9.113 0.000 . 1 . . . A 27 LYS H . 25694 1 337 . 1 1 29 29 LYS HA H 1 4.769 0.000 . 1 . . . A 27 LYS HA . 25694 1 338 . 1 1 29 29 LYS HB2 H 1 1.797 0.000 . 2 . . . A 27 LYS HB2 . 25694 1 339 . 1 1 29 29 LYS HB3 H 1 1.745 0.000 . 2 . . . A 27 LYS HB3 . 25694 1 340 . 1 1 29 29 LYS HG2 H 1 1.318 0.000 . 2 . . . A 27 LYS HG2 . 25694 1 341 . 1 1 29 29 LYS HG3 H 1 1.392 0.000 . 2 . . . A 27 LYS HG3 . 25694 1 342 . 1 1 29 29 LYS HD2 H 1 1.658 0.000 . 1 . . . A 27 LYS HD2 . 25694 1 343 . 1 1 29 29 LYS HD3 H 1 1.658 0.000 . 1 . . . A 27 LYS HD3 . 25694 1 344 . 1 1 29 29 LYS HE2 H 1 2.885 0.000 . 1 . . . A 27 LYS HE2 . 25694 1 345 . 1 1 29 29 LYS HE3 H 1 2.885 0.000 . 1 . . . A 27 LYS HE3 . 25694 1 346 . 1 1 29 29 LYS C C 13 173.953 0.000 . 1 . . . A 27 LYS C . 25694 1 347 . 1 1 29 29 LYS CA C 13 55.130 0.000 . 1 . . . A 27 LYS CA . 25694 1 348 . 1 1 29 29 LYS CB C 13 36.300 0.000 . 1 . . . A 27 LYS CB . 25694 1 349 . 1 1 29 29 LYS CG C 13 24.700 0.000 . 1 . . . A 27 LYS CG . 25694 1 350 . 1 1 29 29 LYS CD C 13 29.896 0.000 . 1 . . . A 27 LYS CD . 25694 1 351 . 1 1 29 29 LYS CE C 13 42.269 0.094 . 1 . . . A 27 LYS CE . 25694 1 352 . 1 1 29 29 LYS N N 15 122.738 0.000 . 1 . . . A 27 LYS N . 25694 1 353 . 1 1 30 30 ILE H H 1 8.535 0.000 . 1 . . . A 28 ILE H . 25694 1 354 . 1 1 30 30 ILE HA H 1 4.776 0.000 . 1 . . . A 28 ILE HA . 25694 1 355 . 1 1 30 30 ILE HB H 1 1.784 0.000 . 1 . . . A 28 ILE HB . 25694 1 356 . 1 1 30 30 ILE HG12 H 1 1.055 0.000 . 2 . . . A 28 ILE HG12 . 25694 1 357 . 1 1 30 30 ILE HG13 H 1 1.695 0.000 . 2 . . . A 28 ILE HG13 . 25694 1 358 . 1 1 30 30 ILE HG21 H 1 0.837 0.000 . 1 . . . A 28 ILE HG21 . 25694 1 359 . 1 1 30 30 ILE HG22 H 1 0.837 0.000 . 1 . . . A 28 ILE HG22 . 25694 1 360 . 1 1 30 30 ILE HG23 H 1 0.837 0.000 . 1 . . . A 28 ILE HG23 . 25694 1 361 . 1 1 30 30 ILE HD11 H 1 0.785 0.000 . 1 . . . A 28 ILE HD11 . 25694 1 362 . 1 1 30 30 ILE HD12 H 1 0.785 0.000 . 1 . . . A 28 ILE HD12 . 25694 1 363 . 1 1 30 30 ILE HD13 H 1 0.785 0.000 . 1 . . . A 28 ILE HD13 . 25694 1 364 . 1 1 30 30 ILE C C 13 175.895 0.000 . 1 . . . A 28 ILE C . 25694 1 365 . 1 1 30 30 ILE CA C 13 60.200 0.000 . 1 . . . A 28 ILE CA . 25694 1 366 . 1 1 30 30 ILE CB C 13 39.200 0.000 . 1 . . . A 28 ILE CB . 25694 1 367 . 1 1 30 30 ILE CG1 C 13 28.364 0.000 . 1 . . . A 28 ILE CG1 . 25694 1 368 . 1 1 30 30 ILE CG2 C 13 18.166 0.000 . 1 . . . A 28 ILE CG2 . 25694 1 369 . 1 1 30 30 ILE CD1 C 13 13.984 0.000 . 1 . . . A 28 ILE CD1 . 25694 1 370 . 1 1 30 30 ILE N N 15 122.212 0.000 . 1 . . . A 28 ILE N . 25694 1 371 . 1 1 31 31 LEU H H 1 9.137 0.000 . 1 . . . A 29 LEU H . 25694 1 372 . 1 1 31 31 LEU HA H 1 4.715 0.000 . 1 . . . A 29 LEU HA . 25694 1 373 . 1 1 31 31 LEU HB2 H 1 1.579 0.000 . 2 . . . A 29 LEU HB2 . 25694 1 374 . 1 1 31 31 LEU HB3 H 1 1.631 0.000 . 2 . . . A 29 LEU HB3 . 25694 1 375 . 1 1 31 31 LEU HG H 1 1.579 0.000 . 1 . . . A 29 LEU HG . 25694 1 376 . 1 1 31 31 LEU HD11 H 1 0.832 0.000 . 1 . . . A 29 LEU HD11 . 25694 1 377 . 1 1 31 31 LEU HD12 H 1 0.832 0.000 . 1 . . . A 29 LEU HD12 . 25694 1 378 . 1 1 31 31 LEU HD13 H 1 0.832 0.000 . 1 . . . A 29 LEU HD13 . 25694 1 379 . 1 1 31 31 LEU HD21 H 1 0.832 0.000 . 1 . . . A 29 LEU HD21 . 25694 1 380 . 1 1 31 31 LEU HD22 H 1 0.832 0.000 . 1 . . . A 29 LEU HD22 . 25694 1 381 . 1 1 31 31 LEU HD23 H 1 0.832 0.000 . 1 . . . A 29 LEU HD23 . 25694 1 382 . 1 1 31 31 LEU C C 13 175.438 0.000 . 1 . . . A 29 LEU C . 25694 1 383 . 1 1 31 31 LEU CA C 13 54.100 0.000 . 1 . . . A 29 LEU CA . 25694 1 384 . 1 1 31 31 LEU CB C 13 44.132 0.000 . 1 . . . A 29 LEU CB . 25694 1 385 . 1 1 31 31 LEU CG C 13 27.307 0.000 . 1 . . . A 29 LEU CG . 25694 1 386 . 1 1 31 31 LEU CD1 C 13 24.700 0.000 . 1 . . . A 29 LEU CD1 . 25694 1 387 . 1 1 31 31 LEU N N 15 128.977 0.000 . 1 . . . A 29 LEU N . 25694 1 388 . 1 1 32 32 ASN H H 1 8.824 0.000 . 1 . . . A 30 ASN H . 25694 1 389 . 1 1 32 32 ASN HA H 1 5.145 0.002 . 1 . . . A 30 ASN HA . 25694 1 390 . 1 1 32 32 ASN HB2 H 1 2.871 0.000 . 2 . . . A 30 ASN HB2 . 25694 1 391 . 1 1 32 32 ASN HB3 H 1 2.497 0.000 . 2 . . . A 30 ASN HB3 . 25694 1 392 . 1 1 32 32 ASN HD21 H 1 6.758 0.000 . 2 . . . A 30 ASN HD21 . 25694 1 393 . 1 1 32 32 ASN HD22 H 1 7.565 0.000 . 2 . . . A 30 ASN HD22 . 25694 1 394 . 1 1 32 32 ASN C C 13 174.335 0.000 . 1 . . . A 30 ASN C . 25694 1 395 . 1 1 32 32 ASN CA C 13 52.413 0.000 . 1 . . . A 30 ASN CA . 25694 1 396 . 1 1 32 32 ASN CB C 13 39.600 0.000 . 1 . . . A 30 ASN CB . 25694 1 397 . 1 1 32 32 ASN N N 15 124.331 0.000 . 1 . . . A 30 ASN N . 25694 1 398 . 1 1 32 32 ASN ND2 N 15 111.248 0.000 . 1 . . . A 30 ASN ND2 . 25694 1 399 . 1 1 33 33 THR H H 1 8.456 0.000 . 1 . . . A 31 THR H . 25694 1 400 . 1 1 33 33 THR HA H 1 4.796 0.007 . 1 . . . A 31 THR HA . 25694 1 401 . 1 1 33 33 THR HB H 1 4.153 0.000 . 1 . . . A 31 THR HB . 25694 1 402 . 1 1 33 33 THR HG21 H 1 1.255 0.000 . 1 . . . A 31 THR HG21 . 25694 1 403 . 1 1 33 33 THR HG22 H 1 1.255 0.000 . 1 . . . A 31 THR HG22 . 25694 1 404 . 1 1 33 33 THR HG23 H 1 1.255 0.000 . 1 . . . A 31 THR HG23 . 25694 1 405 . 1 1 33 33 THR CA C 13 59.600 0.000 . 1 . . . A 31 THR CA . 25694 1 406 . 1 1 33 33 THR CB C 13 70.459 0.000 . 1 . . . A 31 THR CB . 25694 1 407 . 1 1 33 33 THR CG2 C 13 22.130 0.000 . 1 . . . A 31 THR CG2 . 25694 1 408 . 1 1 33 33 THR N N 15 118.685 0.000 . 1 . . . A 31 THR N . 25694 1 409 . 1 1 34 34 PRO HA H 1 4.290 0.000 . 1 . . . A 32 PRO HA . 25694 1 410 . 1 1 34 34 PRO HB2 H 1 2.334 0.000 . 2 . . . A 32 PRO HB2 . 25694 1 411 . 1 1 34 34 PRO HB3 H 1 1.825 0.000 . 2 . . . A 32 PRO HB3 . 25694 1 412 . 1 1 34 34 PRO HG2 H 1 1.993 0.000 . 2 . . . A 32 PRO HG2 . 25694 1 413 . 1 1 34 34 PRO HG3 H 1 2.087 0.000 . 2 . . . A 32 PRO HG3 . 25694 1 414 . 1 1 34 34 PRO HD2 H 1 3.873 0.000 . 2 . . . A 32 PRO HD2 . 25694 1 415 . 1 1 34 34 PRO HD3 H 1 3.721 0.000 . 2 . . . A 32 PRO HD3 . 25694 1 416 . 1 1 34 34 PRO C C 13 177.197 0.000 . 1 . . . A 32 PRO C . 25694 1 417 . 1 1 34 34 PRO CA C 13 64.841 0.000 . 1 . . . A 32 PRO CA . 25694 1 418 . 1 1 34 34 PRO CB C 13 32.170 0.000 . 1 . . . A 32 PRO CB . 25694 1 419 . 1 1 34 34 PRO CG C 13 27.954 0.000 . 1 . . . A 32 PRO CG . 25694 1 420 . 1 1 34 34 PRO CD C 13 51.346 0.000 . 1 . . . A 32 PRO CD . 25694 1 421 . 1 1 35 35 ASN H H 1 8.470 0.000 . 1 . . . A 33 ASN H . 25694 1 422 . 1 1 35 35 ASN HA H 1 4.482 0.000 . 1 . . . A 33 ASN HA . 25694 1 423 . 1 1 35 35 ASN HB2 H 1 2.782 0.000 . 1 . . . A 33 ASN HB2 . 25694 1 424 . 1 1 35 35 ASN HB3 H 1 2.782 0.000 . 1 . . . A 33 ASN HB3 . 25694 1 425 . 1 1 35 35 ASN HD21 H 1 6.966 0.000 . 2 . . . A 33 ASN HD21 . 25694 1 426 . 1 1 35 35 ASN HD22 H 1 7.382 0.000 . 2 . . . A 33 ASN HD22 . 25694 1 427 . 1 1 35 35 ASN C C 13 174.526 0.000 . 1 . . . A 33 ASN C . 25694 1 428 . 1 1 35 35 ASN CA C 13 54.945 0.000 . 1 . . . A 33 ASN CA . 25694 1 429 . 1 1 35 35 ASN CB C 13 38.632 0.000 . 1 . . . A 33 ASN CB . 25694 1 430 . 1 1 35 35 ASN N N 15 112.484 0.000 . 1 . . . A 33 ASN N . 25694 1 431 . 1 1 35 35 ASN ND2 N 15 113.785 0.000 . 1 . . . A 33 ASN ND2 . 25694 1 432 . 1 1 36 36 CYS H H 1 7.663 0.000 . 1 . . . A 34 CYS H . 25694 1 433 . 1 1 36 36 CYS HA H 1 4.927 0.000 . 1 . . . A 34 CYS HA . 25694 1 434 . 1 1 36 36 CYS HB2 H 1 2.915 0.003 . 2 . . . A 34 CYS HB2 . 25694 1 435 . 1 1 36 36 CYS HB3 H 1 3.187 0.000 . 2 . . . A 34 CYS HB3 . 25694 1 436 . 1 1 36 36 CYS C C 13 173.762 0.000 . 1 . . . A 34 CYS C . 25694 1 437 . 1 1 36 36 CYS CA C 13 54.810 0.000 . 1 . . . A 34 CYS CA . 25694 1 438 . 1 1 36 36 CYS CB C 13 44.100 0.000 . 1 . . . A 34 CYS CB . 25694 1 439 . 1 1 36 36 CYS N N 15 116.720 0.000 . 1 . . . A 34 CYS N . 25694 1 440 . 1 1 37 37 ALA H H 1 8.449 0.000 . 1 . . . A 35 ALA H . 25694 1 441 . 1 1 37 37 ALA HA H 1 4.297 0.000 . 1 . . . A 35 ALA HA . 25694 1 442 . 1 1 37 37 ALA HB1 H 1 1.451 0.000 . 1 . . . A 35 ALA HB1 . 25694 1 443 . 1 1 37 37 ALA HB2 H 1 1.451 0.000 . 1 . . . A 35 ALA HB2 . 25694 1 444 . 1 1 37 37 ALA HB3 H 1 1.451 0.000 . 1 . . . A 35 ALA HB3 . 25694 1 445 . 1 1 37 37 ALA C C 13 176.882 0.000 . 1 . . . A 35 ALA C . 25694 1 446 . 1 1 37 37 ALA CA C 13 52.413 0.000 . 1 . . . A 35 ALA CA . 25694 1 447 . 1 1 37 37 ALA CB C 13 18.968 0.000 . 1 . . . A 35 ALA CB . 25694 1 448 . 1 1 37 37 ALA N N 15 125.254 0.000 . 1 . . . A 35 ALA N . 25694 1 449 . 1 1 38 38 LEU H H 1 8.073 0.000 . 1 . . . A 36 LEU H . 25694 1 450 . 1 1 38 38 LEU HA H 1 4.401 0.000 . 1 . . . A 36 LEU HA . 25694 1 451 . 1 1 38 38 LEU HB2 H 1 1.522 0.000 . 2 . . . A 36 LEU HB2 . 25694 1 452 . 1 1 38 38 LEU HB3 H 1 1.646 0.000 . 2 . . . A 36 LEU HB3 . 25694 1 453 . 1 1 38 38 LEU HG H 1 1.586 0.000 . 1 . . . A 36 LEU HG . 25694 1 454 . 1 1 38 38 LEU HD11 H 1 0.914 0.000 . 2 . . . A 36 LEU HD11 . 25694 1 455 . 1 1 38 38 LEU HD12 H 1 0.914 0.000 . 2 . . . A 36 LEU HD12 . 25694 1 456 . 1 1 38 38 LEU HD13 H 1 0.914 0.000 . 2 . . . A 36 LEU HD13 . 25694 1 457 . 1 1 38 38 LEU HD21 H 1 0.867 0.000 . 2 . . . A 36 LEU HD21 . 25694 1 458 . 1 1 38 38 LEU HD22 H 1 0.867 0.000 . 2 . . . A 36 LEU HD22 . 25694 1 459 . 1 1 38 38 LEU HD23 H 1 0.867 0.000 . 2 . . . A 36 LEU HD23 . 25694 1 460 . 1 1 38 38 LEU C C 13 176.442 0.000 . 1 . . . A 36 LEU C . 25694 1 461 . 1 1 38 38 LEU CA C 13 56.751 0.000 . 1 . . . A 36 LEU CA . 25694 1 462 . 1 1 38 38 LEU CB C 13 42.465 0.000 . 1 . . . A 36 LEU CB . 25694 1 463 . 1 1 38 38 LEU CG C 13 27.300 0.000 . 1 . . . A 36 LEU CG . 25694 1 464 . 1 1 38 38 LEU CD1 C 13 25.310 0.000 . 1 . . . A 36 LEU CD1 . 25694 1 465 . 1 1 38 38 LEU CD2 C 13 25.366 0.000 . 1 . . . A 36 LEU CD2 . 25694 1 466 . 1 1 38 38 LEU N N 15 122.078 0.000 . 1 . . . A 36 LEU N . 25694 1 467 . 1 1 39 39 GLN H H 1 8.397 0.000 . 1 . . . A 37 GLN H . 25694 1 468 . 1 1 39 39 GLN HA H 1 4.748 0.000 . 1 . . . A 37 GLN HA . 25694 1 469 . 1 1 39 39 GLN HB2 H 1 2.135 0.008 . 2 . . . A 37 GLN HB2 . 25694 1 470 . 1 1 39 39 GLN HB3 H 1 2.086 0.009 . 2 . . . A 37 GLN HB3 . 25694 1 471 . 1 1 39 39 GLN HG2 H 1 2.363 0.000 . 2 . . . A 37 GLN HG2 . 25694 1 472 . 1 1 39 39 GLN HG3 H 1 2.480 0.000 . 2 . . . A 37 GLN HG3 . 25694 1 473 . 1 1 39 39 GLN HE21 H 1 6.572 0.000 . 2 . . . A 37 GLN HE21 . 25694 1 474 . 1 1 39 39 GLN HE22 H 1 7.497 0.000 . 2 . . . A 37 GLN HE22 . 25694 1 475 . 1 1 39 39 GLN C C 13 173.804 0.000 . 1 . . . A 37 GLN C . 25694 1 476 . 1 1 39 39 GLN CA C 13 54.400 0.000 . 1 . . . A 37 GLN CA . 25694 1 477 . 1 1 39 39 GLN CB C 13 32.463 0.006 . 1 . . . A 37 GLN CB . 25694 1 478 . 1 1 39 39 GLN CG C 13 34.426 0.000 . 1 . . . A 37 GLN CG . 25694 1 479 . 1 1 39 39 GLN N N 15 121.790 0.000 . 1 . . . A 37 GLN N . 25694 1 480 . 1 1 39 39 GLN NE2 N 15 109.852 0.001 . 1 . . . A 37 GLN NE2 . 25694 1 481 . 1 1 40 40 ILE H H 1 9.213 0.000 . 1 . . . A 38 ILE H . 25694 1 482 . 1 1 40 40 ILE HA H 1 4.745 0.000 . 1 . . . A 38 ILE HA . 25694 1 483 . 1 1 40 40 ILE HB H 1 1.844 0.007 . 1 . . . A 38 ILE HB . 25694 1 484 . 1 1 40 40 ILE HG12 H 1 1.606 0.000 . 2 . . . A 38 ILE HG12 . 25694 1 485 . 1 1 40 40 ILE HG13 H 1 0.878 0.000 . 2 . . . A 38 ILE HG13 . 25694 1 486 . 1 1 40 40 ILE HG21 H 1 0.746 0.000 . 1 . . . A 38 ILE HG21 . 25694 1 487 . 1 1 40 40 ILE HG22 H 1 0.746 0.000 . 1 . . . A 38 ILE HG22 . 25694 1 488 . 1 1 40 40 ILE HG23 H 1 0.746 0.000 . 1 . . . A 38 ILE HG23 . 25694 1 489 . 1 1 40 40 ILE HD11 H 1 0.728 0.000 . 1 . . . A 38 ILE HD11 . 25694 1 490 . 1 1 40 40 ILE HD12 H 1 0.728 0.000 . 1 . . . A 38 ILE HD12 . 25694 1 491 . 1 1 40 40 ILE HD13 H 1 0.728 0.000 . 1 . . . A 38 ILE HD13 . 25694 1 492 . 1 1 40 40 ILE C C 13 174.808 0.000 . 1 . . . A 38 ILE C . 25694 1 493 . 1 1 40 40 ILE CA C 13 60.950 0.000 . 1 . . . A 38 ILE CA . 25694 1 494 . 1 1 40 40 ILE CB C 13 39.600 0.000 . 1 . . . A 38 ILE CB . 25694 1 495 . 1 1 40 40 ILE CG1 C 13 27.612 0.023 . 1 . . . A 38 ILE CG1 . 25694 1 496 . 1 1 40 40 ILE CG2 C 13 18.484 0.000 . 1 . . . A 38 ILE CG2 . 25694 1 497 . 1 1 40 40 ILE CD1 C 13 14.688 0.000 . 1 . . . A 38 ILE CD1 . 25694 1 498 . 1 1 40 40 ILE N N 15 123.702 0.000 . 1 . . . A 38 ILE N . 25694 1 499 . 1 1 41 41 VAL H H 1 9.056 0.000 . 1 . . . A 39 VAL H . 25694 1 500 . 1 1 41 41 VAL HA H 1 5.016 0.000 . 1 . . . A 39 VAL HA . 25694 1 501 . 1 1 41 41 VAL HB H 1 1.927 0.000 . 1 . . . A 39 VAL HB . 25694 1 502 . 1 1 41 41 VAL HG11 H 1 0.914 0.000 . 1 . . . A 39 VAL HG11 . 25694 1 503 . 1 1 41 41 VAL HG12 H 1 0.914 0.000 . 1 . . . A 39 VAL HG12 . 25694 1 504 . 1 1 41 41 VAL HG13 H 1 0.914 0.000 . 1 . . . A 39 VAL HG13 . 25694 1 505 . 1 1 41 41 VAL HG21 H 1 0.914 0.000 . 1 . . . A 39 VAL HG21 . 25694 1 506 . 1 1 41 41 VAL HG22 H 1 0.914 0.000 . 1 . . . A 39 VAL HG22 . 25694 1 507 . 1 1 41 41 VAL HG23 H 1 0.914 0.000 . 1 . . . A 39 VAL HG23 . 25694 1 508 . 1 1 41 41 VAL C C 13 174.741 0.000 . 1 . . . A 39 VAL C . 25694 1 509 . 1 1 41 41 VAL CA C 13 60.950 0.000 . 1 . . . A 39 VAL CA . 25694 1 510 . 1 1 41 41 VAL CB C 13 34.426 0.000 . 1 . . . A 39 VAL CB . 25694 1 511 . 1 1 41 41 VAL CG1 C 13 21.807 0.000 . 1 . . . A 39 VAL CG1 . 25694 1 512 . 1 1 41 41 VAL N N 15 125.930 0.000 . 1 . . . A 39 VAL N . 25694 1 513 . 1 1 42 42 ALA H H 1 9.335 0.000 . 1 . . . A 40 ALA H . 25694 1 514 . 1 1 42 42 ALA HA H 1 5.332 0.000 . 1 . . . A 40 ALA HA . 25694 1 515 . 1 1 42 42 ALA HB1 H 1 1.342 0.009 . 1 . . . A 40 ALA HB1 . 25694 1 516 . 1 1 42 42 ALA HB2 H 1 1.342 0.009 . 1 . . . A 40 ALA HB2 . 25694 1 517 . 1 1 42 42 ALA HB3 H 1 1.342 0.009 . 1 . . . A 40 ALA HB3 . 25694 1 518 . 1 1 42 42 ALA C C 13 175.948 0.000 . 1 . . . A 40 ALA C . 25694 1 519 . 1 1 42 42 ALA CA C 13 50.280 0.000 . 1 . . . A 40 ALA CA . 25694 1 520 . 1 1 42 42 ALA CB C 13 24.063 0.000 . 1 . . . A 40 ALA CB . 25694 1 521 . 1 1 42 42 ALA N N 15 127.551 0.000 . 1 . . . A 40 ALA N . 25694 1 522 . 1 1 43 43 ARG H H 1 8.511 0.000 . 1 . . . A 41 ARG H . 25694 1 523 . 1 1 43 43 ARG HA H 1 5.219 0.000 . 1 . . . A 41 ARG HA . 25694 1 524 . 1 1 43 43 ARG HB2 H 1 1.511 0.000 . 2 . . . A 41 ARG HB2 . 25694 1 525 . 1 1 43 43 ARG HB3 H 1 1.622 0.000 . 2 . . . A 41 ARG HB3 . 25694 1 526 . 1 1 43 43 ARG HG2 H 1 1.534 0.000 . 2 . . . A 41 ARG HG2 . 25694 1 527 . 1 1 43 43 ARG HG3 H 1 1.625 0.000 . 2 . . . A 41 ARG HG3 . 25694 1 528 . 1 1 43 43 ARG HD2 H 1 3.089 0.000 . 1 . . . A 41 ARG HD2 . 25694 1 529 . 1 1 43 43 ARG HD3 H 1 3.089 0.000 . 1 . . . A 41 ARG HD3 . 25694 1 530 . 1 1 43 43 ARG C C 13 176.310 0.000 . 1 . . . A 41 ARG C . 25694 1 531 . 1 1 43 43 ARG CA C 13 54.100 0.000 . 1 . . . A 41 ARG CA . 25694 1 532 . 1 1 43 43 ARG CB C 13 32.428 0.000 . 1 . . . A 41 ARG CB . 25694 1 533 . 1 1 43 43 ARG CG C 13 27.641 0.000 . 1 . . . A 41 ARG CG . 25694 1 534 . 1 1 43 43 ARG CD C 13 43.136 0.000 . 1 . . . A 41 ARG CD . 25694 1 535 . 1 1 43 43 ARG N N 15 118.658 0.000 . 1 . . . A 41 ARG N . 25694 1 536 . 1 1 44 44 LEU H H 1 9.038 0.000 . 1 . . . A 42 LEU H . 25694 1 537 . 1 1 44 44 LEU HA H 1 4.926 0.006 . 1 . . . A 42 LEU HA . 25694 1 538 . 1 1 44 44 LEU HB2 H 1 1.768 0.000 . 2 . . . A 42 LEU HB2 . 25694 1 539 . 1 1 44 44 LEU HB3 H 1 2.243 0.000 . 2 . . . A 42 LEU HB3 . 25694 1 540 . 1 1 44 44 LEU HG H 1 1.840 0.000 . 1 . . . A 42 LEU HG . 25694 1 541 . 1 1 44 44 LEU HD11 H 1 1.045 0.000 . 2 . . . A 42 LEU HD11 . 25694 1 542 . 1 1 44 44 LEU HD12 H 1 1.045 0.000 . 2 . . . A 42 LEU HD12 . 25694 1 543 . 1 1 44 44 LEU HD13 H 1 1.045 0.000 . 2 . . . A 42 LEU HD13 . 25694 1 544 . 1 1 44 44 LEU HD21 H 1 0.827 0.000 . 2 . . . A 42 LEU HD21 . 25694 1 545 . 1 1 44 44 LEU HD22 H 1 0.827 0.000 . 2 . . . A 42 LEU HD22 . 25694 1 546 . 1 1 44 44 LEU HD23 H 1 0.827 0.000 . 2 . . . A 42 LEU HD23 . 25694 1 547 . 1 1 44 44 LEU C C 13 178.475 0.000 . 1 . . . A 42 LEU C . 25694 1 548 . 1 1 44 44 LEU CA C 13 54.329 0.000 . 1 . . . A 42 LEU CA . 25694 1 549 . 1 1 44 44 LEU CB C 13 41.497 0.000 . 1 . . . A 42 LEU CB . 25694 1 550 . 1 1 44 44 LEU CG C 13 27.307 0.000 . 1 . . . A 42 LEU CG . 25694 1 551 . 1 1 44 44 LEU CD1 C 13 26.013 0.000 . 1 . . . A 42 LEU CD1 . 25694 1 552 . 1 1 44 44 LEU CD2 C 13 23.029 0.000 . 1 . . . A 42 LEU CD2 . 25694 1 553 . 1 1 44 44 LEU N N 15 125.307 0.000 . 1 . . . A 42 LEU N . 25694 1 554 . 1 1 45 45 LYS H H 1 8.480 0.000 . 1 . . . A 43 LYS H . 25694 1 555 . 1 1 45 45 LYS HA H 1 3.833 0.006 . 1 . . . A 43 LYS HA . 25694 1 556 . 1 1 45 45 LYS HB2 H 1 1.694 0.000 . 2 . . . A 43 LYS HB2 . 25694 1 557 . 1 1 45 45 LYS HB3 H 1 1.868 0.000 . 2 . . . A 43 LYS HB3 . 25694 1 558 . 1 1 45 45 LYS HG2 H 1 1.177 0.000 . 2 . . . A 43 LYS HG2 . 25694 1 559 . 1 1 45 45 LYS HG3 H 1 1.274 0.000 . 2 . . . A 43 LYS HG3 . 25694 1 560 . 1 1 45 45 LYS HD2 H 1 1.729 0.000 . 1 . . . A 43 LYS HD2 . 25694 1 561 . 1 1 45 45 LYS HD3 H 1 1.729 0.000 . 1 . . . A 43 LYS HD3 . 25694 1 562 . 1 1 45 45 LYS HE2 H 1 2.848 0.002 . 2 . . . A 43 LYS HE2 . 25694 1 563 . 1 1 45 45 LYS HE3 H 1 2.951 0.000 . 2 . . . A 43 LYS HE3 . 25694 1 564 . 1 1 45 45 LYS C C 13 178.342 0.000 . 1 . . . A 43 LYS C . 25694 1 565 . 1 1 45 45 LYS CA C 13 59.340 0.000 . 1 . . . A 43 LYS CA . 25694 1 566 . 1 1 45 45 LYS CB C 13 33.445 0.000 . 1 . . . A 43 LYS CB . 25694 1 567 . 1 1 45 45 LYS CG C 13 26.938 0.000 . 1 . . . A 43 LYS CG . 25694 1 568 . 1 1 45 45 LYS CD C 13 29.883 0.000 . 1 . . . A 43 LYS CD . 25694 1 569 . 1 1 45 45 LYS CE C 13 42.500 0.000 . 1 . . . A 43 LYS CE . 25694 1 570 . 1 1 45 45 LYS N N 15 120.597 0.000 . 1 . . . A 43 LYS N . 25694 1 571 . 1 1 46 46 ASN H H 1 8.725 0.000 . 1 . . . A 44 ASN H . 25694 1 572 . 1 1 46 46 ASN HA H 1 4.476 0.000 . 1 . . . A 44 ASN HA . 25694 1 573 . 1 1 46 46 ASN HB2 H 1 2.845 0.000 . 2 . . . A 44 ASN HB2 . 25694 1 574 . 1 1 46 46 ASN HB3 H 1 2.962 0.000 . 2 . . . A 44 ASN HB3 . 25694 1 575 . 1 1 46 46 ASN HD21 H 1 6.849 0.000 . 2 . . . A 44 ASN HD21 . 25694 1 576 . 1 1 46 46 ASN HD22 H 1 7.673 0.000 . 2 . . . A 44 ASN HD22 . 25694 1 577 . 1 1 46 46 ASN C C 13 176.032 0.000 . 1 . . . A 44 ASN C . 25694 1 578 . 1 1 46 46 ASN CA C 13 55.780 0.000 . 1 . . . A 44 ASN CA . 25694 1 579 . 1 1 46 46 ASN CB C 13 37.507 0.000 . 1 . . . A 44 ASN CB . 25694 1 580 . 1 1 46 46 ASN N N 15 114.812 0.000 . 1 . . . A 44 ASN N . 25694 1 581 . 1 1 46 46 ASN ND2 N 15 112.812 0.000 . 1 . . . A 44 ASN ND2 . 25694 1 582 . 1 1 47 47 ASN H H 1 7.519 0.000 . 1 . . . A 45 ASN H . 25694 1 583 . 1 1 47 47 ASN HA H 1 4.738 0.007 . 1 . . . A 45 ASN HA . 25694 1 584 . 1 1 47 47 ASN HB2 H 1 3.060 0.000 . 2 . . . A 45 ASN HB2 . 25694 1 585 . 1 1 47 47 ASN HB3 H 1 2.735 0.008 . 2 . . . A 45 ASN HB3 . 25694 1 586 . 1 1 47 47 ASN HD21 H 1 7.510 0.000 . 2 . . . A 45 ASN HD21 . 25694 1 587 . 1 1 47 47 ASN HD22 H 1 6.548 0.000 . 2 . . . A 45 ASN HD22 . 25694 1 588 . 1 1 47 47 ASN C C 13 175.513 0.000 . 1 . . . A 45 ASN C . 25694 1 589 . 1 1 47 47 ASN CA C 13 52.769 0.000 . 1 . . . A 45 ASN CA . 25694 1 590 . 1 1 47 47 ASN CB C 13 39.211 0.023 . 1 . . . A 45 ASN CB . 25694 1 591 . 1 1 47 47 ASN N N 15 115.093 0.000 . 1 . . . A 45 ASN N . 25694 1 592 . 1 1 47 47 ASN ND2 N 15 109.698 0.000 . 1 . . . A 45 ASN ND2 . 25694 1 593 . 1 1 48 48 ASN H H 1 8.033 0.000 . 1 . . . A 46 ASN H . 25694 1 594 . 1 1 48 48 ASN HA H 1 4.669 0.000 . 1 . . . A 46 ASN HA . 25694 1 595 . 1 1 48 48 ASN HB2 H 1 2.720 0.000 . 2 . . . A 46 ASN HB2 . 25694 1 596 . 1 1 48 48 ASN HB3 H 1 3.154 0.000 . 2 . . . A 46 ASN HB3 . 25694 1 597 . 1 1 48 48 ASN HD21 H 1 6.932 0.000 . 2 . . . A 46 ASN HD21 . 25694 1 598 . 1 1 48 48 ASN HD22 H 1 7.623 0.000 . 2 . . . A 46 ASN HD22 . 25694 1 599 . 1 1 48 48 ASN C C 13 174.816 0.000 . 1 . . . A 46 ASN C . 25694 1 600 . 1 1 48 48 ASN CA C 13 54.800 0.000 . 1 . . . A 46 ASN CA . 25694 1 601 . 1 1 48 48 ASN CB C 13 39.279 0.000 . 1 . . . A 46 ASN CB . 25694 1 602 . 1 1 48 48 ASN N N 15 116.121 0.000 . 1 . . . A 46 ASN N . 25694 1 603 . 1 1 48 48 ASN ND2 N 15 113.024 0.013 . 1 . . . A 46 ASN ND2 . 25694 1 604 . 1 1 49 49 ARG H H 1 7.981 0.000 . 1 . . . A 47 ARG H . 25694 1 605 . 1 1 49 49 ARG HA H 1 4.253 0.004 . 1 . . . A 47 ARG HA . 25694 1 606 . 1 1 49 49 ARG HB2 H 1 1.698 0.000 . 2 . . . A 47 ARG HB2 . 25694 1 607 . 1 1 49 49 ARG HB3 H 1 1.758 0.003 . 2 . . . A 47 ARG HB3 . 25694 1 608 . 1 1 49 49 ARG HG2 H 1 1.592 0.000 . 1 . . . A 47 ARG HG2 . 25694 1 609 . 1 1 49 49 ARG HG3 H 1 1.592 0.000 . 1 . . . A 47 ARG HG3 . 25694 1 610 . 1 1 49 49 ARG HD2 H 1 3.103 0.000 . 2 . . . A 47 ARG HD2 . 25694 1 611 . 1 1 49 49 ARG HD3 H 1 3.196 0.000 . 2 . . . A 47 ARG HD3 . 25694 1 612 . 1 1 49 49 ARG C C 13 175.845 0.000 . 1 . . . A 47 ARG C . 25694 1 613 . 1 1 49 49 ARG CA C 13 57.084 0.000 . 1 . . . A 47 ARG CA . 25694 1 614 . 1 1 49 49 ARG CB C 13 31.785 0.000 . 1 . . . A 47 ARG CB . 25694 1 615 . 1 1 49 49 ARG CG C 13 27.954 0.000 . 1 . . . A 47 ARG CG . 25694 1 616 . 1 1 49 49 ARG CD C 13 43.818 0.000 . 1 . . . A 47 ARG CD . 25694 1 617 . 1 1 49 49 ARG N N 15 119.917 0.000 . 1 . . . A 47 ARG N . 25694 1 618 . 1 1 50 50 GLN H H 1 8.737 0.000 . 1 . . . A 48 GLN H . 25694 1 619 . 1 1 50 50 GLN HA H 1 5.242 0.000 . 1 . . . A 48 GLN HA . 25694 1 620 . 1 1 50 50 GLN HB2 H 1 2.048 0.000 . 2 . . . A 48 GLN HB2 . 25694 1 621 . 1 1 50 50 GLN HB3 H 1 1.912 0.000 . 2 . . . A 48 GLN HB3 . 25694 1 622 . 1 1 50 50 GLN HG2 H 1 2.261 0.000 . 2 . . . A 48 GLN HG2 . 25694 1 623 . 1 1 50 50 GLN HG3 H 1 2.144 0.000 . 2 . . . A 48 GLN HG3 . 25694 1 624 . 1 1 50 50 GLN HE21 H 1 7.500 0.000 . 2 . . . A 48 GLN HE21 . 25694 1 625 . 1 1 50 50 GLN HE22 H 1 6.925 0.000 . 2 . . . A 48 GLN HE22 . 25694 1 626 . 1 1 50 50 GLN C C 13 175.629 0.000 . 1 . . . A 48 GLN C . 25694 1 627 . 1 1 50 50 GLN CA C 13 55.780 0.000 . 1 . . . A 48 GLN CA . 25694 1 628 . 1 1 50 50 GLN CB C 13 31.190 0.000 . 1 . . . A 48 GLN CB . 25694 1 629 . 1 1 50 50 GLN CG C 13 35.720 0.000 . 1 . . . A 48 GLN CG . 25694 1 630 . 1 1 50 50 GLN N N 15 123.497 0.000 . 1 . . . A 48 GLN N . 25694 1 631 . 1 1 50 50 GLN NE2 N 15 111.644 0.000 . 1 . . . A 48 GLN NE2 . 25694 1 632 . 1 1 51 51 VAL H H 1 9.150 0.000 . 1 . . . A 49 VAL H . 25694 1 633 . 1 1 51 51 VAL HA H 1 4.773 0.009 . 1 . . . A 49 VAL HA . 25694 1 634 . 1 1 51 51 VAL HB H 1 2.160 0.000 . 1 . . . A 49 VAL HB . 25694 1 635 . 1 1 51 51 VAL HG11 H 1 0.915 0.000 . 2 . . . A 49 VAL HG11 . 25694 1 636 . 1 1 51 51 VAL HG12 H 1 0.915 0.000 . 2 . . . A 49 VAL HG12 . 25694 1 637 . 1 1 51 51 VAL HG13 H 1 0.915 0.000 . 2 . . . A 49 VAL HG13 . 25694 1 638 . 1 1 51 51 VAL HG21 H 1 0.819 0.000 . 2 . . . A 49 VAL HG21 . 25694 1 639 . 1 1 51 51 VAL HG22 H 1 0.819 0.000 . 2 . . . A 49 VAL HG22 . 25694 1 640 . 1 1 51 51 VAL HG23 H 1 0.819 0.000 . 2 . . . A 49 VAL HG23 . 25694 1 641 . 1 1 51 51 VAL C C 13 174.235 0.000 . 1 . . . A 49 VAL C . 25694 1 642 . 1 1 51 51 VAL CA C 13 59.266 0.000 . 1 . . . A 49 VAL CA . 25694 1 643 . 1 1 51 51 VAL CB C 13 36.000 0.000 . 1 . . . A 49 VAL CB . 25694 1 644 . 1 1 51 51 VAL CG1 C 13 21.789 0.000 . 1 . . . A 49 VAL CG1 . 25694 1 645 . 1 1 51 51 VAL CG2 C 13 19.184 0.000 . 1 . . . A 49 VAL CG2 . 25694 1 646 . 1 1 51 51 VAL N N 15 119.819 0.000 . 1 . . . A 49 VAL N . 25694 1 647 . 1 1 52 52 CYS H H 1 8.854 0.000 . 1 . . . A 50 CYS H . 25694 1 648 . 1 1 52 52 CYS HA H 1 5.653 0.003 . 1 . . . A 50 CYS HA . 25694 1 649 . 1 1 52 52 CYS HB2 H 1 3.677 0.007 . 2 . . . A 50 CYS HB2 . 25694 1 650 . 1 1 52 52 CYS HB3 H 1 3.052 0.005 . 2 . . . A 50 CYS HB3 . 25694 1 651 . 1 1 52 52 CYS C C 13 174.078 0.000 . 1 . . . A 50 CYS C . 25694 1 652 . 1 1 52 52 CYS CA C 13 56.428 0.000 . 1 . . . A 50 CYS CA . 25694 1 653 . 1 1 52 52 CYS CB C 13 45.270 0.000 . 1 . . . A 50 CYS CB . 25694 1 654 . 1 1 52 52 CYS N N 15 120.721 0.000 . 1 . . . A 50 CYS N . 25694 1 655 . 1 1 53 53 ILE H H 1 8.934 0.000 . 1 . . . A 51 ILE H . 25694 1 656 . 1 1 53 53 ILE HA H 1 4.510 0.000 . 1 . . . A 51 ILE HA . 25694 1 657 . 1 1 53 53 ILE HB H 1 1.603 0.000 . 1 . . . A 51 ILE HB . 25694 1 658 . 1 1 53 53 ILE HG12 H 1 1.381 0.000 . 2 . . . A 51 ILE HG12 . 25694 1 659 . 1 1 53 53 ILE HG13 H 1 1.108 0.006 . 2 . . . A 51 ILE HG13 . 25694 1 660 . 1 1 53 53 ILE HG21 H 1 0.818 0.006 . 1 . . . A 51 ILE HG21 . 25694 1 661 . 1 1 53 53 ILE HG22 H 1 0.818 0.006 . 1 . . . A 51 ILE HG22 . 25694 1 662 . 1 1 53 53 ILE HG23 H 1 0.818 0.006 . 1 . . . A 51 ILE HG23 . 25694 1 663 . 1 1 53 53 ILE HD11 H 1 0.769 0.000 . 1 . . . A 51 ILE HD11 . 25694 1 664 . 1 1 53 53 ILE HD12 H 1 0.769 0.000 . 1 . . . A 51 ILE HD12 . 25694 1 665 . 1 1 53 53 ILE HD13 H 1 0.769 0.000 . 1 . . . A 51 ILE HD13 . 25694 1 666 . 1 1 53 53 ILE C C 13 174.775 0.000 . 1 . . . A 51 ILE C . 25694 1 667 . 1 1 53 53 ILE CA C 13 59.300 0.000 . 1 . . . A 51 ILE CA . 25694 1 668 . 1 1 53 53 ILE CB C 13 39.603 0.000 . 1 . . . A 51 ILE CB . 25694 1 669 . 1 1 53 53 ILE CG1 C 13 27.954 0.000 . 1 . . . A 51 ILE CG1 . 25694 1 670 . 1 1 53 53 ILE CG2 C 13 17.584 0.000 . 1 . . . A 51 ILE CG2 . 25694 1 671 . 1 1 53 53 ILE CD1 C 13 13.146 0.000 . 1 . . . A 51 ILE CD1 . 25694 1 672 . 1 1 53 53 ILE N N 15 124.038 0.000 . 1 . . . A 51 ILE N . 25694 1 673 . 1 1 54 54 ASP H H 1 8.098 0.000 . 1 . . . A 52 ASP H . 25694 1 674 . 1 1 54 54 ASP HA H 1 3.745 0.000 . 1 . . . A 52 ASP HA . 25694 1 675 . 1 1 54 54 ASP HB2 H 1 2.324 0.000 . 2 . . . A 52 ASP HB2 . 25694 1 676 . 1 1 54 54 ASP HB3 H 1 2.608 0.000 . 2 . . . A 52 ASP HB3 . 25694 1 677 . 1 1 54 54 ASP CA C 13 51.890 0.000 . 1 . . . A 52 ASP CA . 25694 1 678 . 1 1 54 54 ASP CB C 13 43.162 0.000 . 1 . . . A 52 ASP CB . 25694 1 679 . 1 1 54 54 ASP N N 15 127.393 0.000 . 1 . . . A 52 ASP N . 25694 1 680 . 1 1 55 55 PRO HA H 1 4.085 0.000 . 1 . . . A 53 PRO HA . 25694 1 681 . 1 1 55 55 PRO HB2 H 1 1.898 0.000 . 2 . . . A 53 PRO HB2 . 25694 1 682 . 1 1 55 55 PRO HB3 H 1 2.081 0.000 . 2 . . . A 53 PRO HB3 . 25694 1 683 . 1 1 55 55 PRO HG2 H 1 1.887 0.001 . 2 . . . A 53 PRO HG2 . 25694 1 684 . 1 1 55 55 PRO HG3 H 1 1.799 0.000 . 2 . . . A 53 PRO HG3 . 25694 1 685 . 1 1 55 55 PRO HD2 H 1 3.512 0.000 . 2 . . . A 53 PRO HD2 . 25694 1 686 . 1 1 55 55 PRO HD3 H 1 3.434 0.000 . 2 . . . A 53 PRO HD3 . 25694 1 687 . 1 1 55 55 PRO C C 13 176.500 0.000 . 1 . . . A 53 PRO C . 25694 1 688 . 1 1 55 55 PRO CA C 13 64.510 0.000 . 1 . . . A 53 PRO CA . 25694 1 689 . 1 1 55 55 PRO CB C 13 32.272 0.000 . 1 . . . A 53 PRO CB . 25694 1 690 . 1 1 55 55 PRO CG C 13 27.303 0.001 . 1 . . . A 53 PRO CG . 25694 1 691 . 1 1 55 55 PRO CD C 13 50.927 0.000 . 1 . . . A 53 PRO CD . 25694 1 692 . 1 1 56 56 LYS H H 1 8.129 0.000 . 1 . . . A 54 LYS H . 25694 1 693 . 1 1 56 56 LYS HA H 1 4.205 0.000 . 1 . . . A 54 LYS HA . 25694 1 694 . 1 1 56 56 LYS HB2 H 1 1.646 0.000 . 2 . . . A 54 LYS HB2 . 25694 1 695 . 1 1 56 56 LYS HB3 H 1 1.870 0.000 . 2 . . . A 54 LYS HB3 . 25694 1 696 . 1 1 56 56 LYS HG2 H 1 1.299 0.000 . 2 . . . A 54 LYS HG2 . 25694 1 697 . 1 1 56 56 LYS HG3 H 1 1.374 0.000 . 2 . . . A 54 LYS HG3 . 25694 1 698 . 1 1 56 56 LYS HD2 H 1 1.657 0.000 . 1 . . . A 54 LYS HD2 . 25694 1 699 . 1 1 56 56 LYS HD3 H 1 1.657 0.000 . 1 . . . A 54 LYS HD3 . 25694 1 700 . 1 1 56 56 LYS HE2 H 1 2.982 0.000 . 1 . . . A 54 LYS HE2 . 25694 1 701 . 1 1 56 56 LYS HE3 H 1 2.982 0.000 . 1 . . . A 54 LYS HE3 . 25694 1 702 . 1 1 56 56 LYS C C 13 176.791 0.000 . 1 . . . A 54 LYS C . 25694 1 703 . 1 1 56 56 LYS CA C 13 55.700 0.000 . 1 . . . A 54 LYS CA . 25694 1 704 . 1 1 56 56 LYS CB C 13 30.800 0.000 . 1 . . . A 54 LYS CB . 25694 1 705 . 1 1 56 56 LYS CG C 13 25.035 0.000 . 1 . . . A 54 LYS CG . 25694 1 706 . 1 1 56 56 LYS CD C 13 28.950 0.000 . 1 . . . A 54 LYS CD . 25694 1 707 . 1 1 56 56 LYS CE C 13 41.800 0.000 . 1 . . . A 54 LYS CE . 25694 1 708 . 1 1 56 56 LYS N N 15 116.899 0.000 . 1 . . . A 54 LYS N . 25694 1 709 . 1 1 57 57 CYS H H 1 7.989 0.000 . 1 . . . A 55 CYS H . 25694 1 710 . 1 1 57 57 CYS HA H 1 4.397 0.000 . 1 . . . A 55 CYS HA . 25694 1 711 . 1 1 57 57 CYS HB2 H 1 3.215 0.000 . 2 . . . A 55 CYS HB2 . 25694 1 712 . 1 1 57 57 CYS HB3 H 1 3.348 0.000 . 2 . . . A 55 CYS HB3 . 25694 1 713 . 1 1 57 57 CYS CA C 13 57.075 0.000 . 1 . . . A 55 CYS CA . 25694 1 714 . 1 1 57 57 CYS CB C 13 41.544 0.000 . 1 . . . A 55 CYS CB . 25694 1 715 . 1 1 57 57 CYS N N 15 119.988 0.000 . 1 . . . A 55 CYS N . 25694 1 716 . 1 1 58 58 LYS HA H 1 4.127 0.000 . 1 . . . A 56 LYS HA . 25694 1 717 . 1 1 58 58 LYS HB2 H 1 2.053 0.000 . 1 . . . A 56 LYS HB2 . 25694 1 718 . 1 1 58 58 LYS HB3 H 1 2.053 0.000 . 1 . . . A 56 LYS HB3 . 25694 1 719 . 1 1 58 58 LYS HG2 H 1 1.609 0.000 . 2 . . . A 56 LYS HG2 . 25694 1 720 . 1 1 58 58 LYS HG3 H 1 1.651 0.000 . 2 . . . A 56 LYS HG3 . 25694 1 721 . 1 1 58 58 LYS HD2 H 1 1.825 0.000 . 1 . . . A 56 LYS HD2 . 25694 1 722 . 1 1 58 58 LYS HD3 H 1 1.825 0.000 . 1 . . . A 56 LYS HD3 . 25694 1 723 . 1 1 58 58 LYS HE2 H 1 3.108 0.000 . 1 . . . A 56 LYS HE2 . 25694 1 724 . 1 1 58 58 LYS HE3 H 1 3.108 0.000 . 1 . . . A 56 LYS HE3 . 25694 1 725 . 1 1 58 58 LYS C C 13 178.326 0.000 . 1 . . . A 56 LYS C . 25694 1 726 . 1 1 58 58 LYS CA C 13 60.600 0.000 . 1 . . . A 56 LYS CA . 25694 1 727 . 1 1 58 58 LYS CB C 13 32.800 0.000 . 1 . . . A 56 LYS CB . 25694 1 728 . 1 1 58 58 LYS CG C 13 25.065 0.080 . 1 . . . A 56 LYS CG . 25694 1 729 . 1 1 58 58 LYS CD C 13 29.092 0.000 . 1 . . . A 56 LYS CD . 25694 1 730 . 1 1 58 58 LYS CE C 13 42.327 0.000 . 1 . . . A 56 LYS CE . 25694 1 731 . 1 1 59 59 TRP H H 1 7.274 0.000 . 1 . . . A 57 TRP H . 25694 1 732 . 1 1 59 59 TRP HA H 1 4.905 0.008 . 1 . . . A 57 TRP HA . 25694 1 733 . 1 1 59 59 TRP HB2 H 1 3.275 0.000 . 2 . . . A 57 TRP HB2 . 25694 1 734 . 1 1 59 59 TRP HB3 H 1 3.773 0.000 . 2 . . . A 57 TRP HB3 . 25694 1 735 . 1 1 59 59 TRP HD1 H 1 7.555 0.000 . 1 . . . A 57 TRP HD1 . 25694 1 736 . 1 1 59 59 TRP HE1 H 1 10.445 0.000 . 1 . . . A 57 TRP HE1 . 25694 1 737 . 1 1 59 59 TRP HE3 H 1 7.409 0.005 . 1 . . . A 57 TRP HE3 . 25694 1 738 . 1 1 59 59 TRP HZ2 H 1 7.002 0.002 . 1 . . . A 57 TRP HZ2 . 25694 1 739 . 1 1 59 59 TRP HZ3 H 1 6.466 0.006 . 1 . . . A 57 TRP HZ3 . 25694 1 740 . 1 1 59 59 TRP HH2 H 1 6.669 0.007 . 1 . . . A 57 TRP HH2 . 25694 1 741 . 1 1 59 59 TRP C C 13 177.803 0.000 . 1 . . . A 57 TRP C . 25694 1 742 . 1 1 59 59 TRP CA C 13 56.240 0.000 . 1 . . . A 57 TRP CA . 25694 1 743 . 1 1 59 59 TRP CB C 13 28.925 0.000 . 1 . . . A 57 TRP CB . 25694 1 744 . 1 1 59 59 TRP CD1 C 13 128.682 0.000 . 1 . . . A 57 TRP CD1 . 25694 1 745 . 1 1 59 59 TRP CE3 C 13 121.435 0.000 . 1 . . . A 57 TRP CE3 . 25694 1 746 . 1 1 59 59 TRP CZ2 C 13 114.187 0.000 . 1 . . . A 57 TRP CZ2 . 25694 1 747 . 1 1 59 59 TRP CZ3 C 13 121.694 0.000 . 1 . . . A 57 TRP CZ3 . 25694 1 748 . 1 1 59 59 TRP CH2 C 13 124.282 0.000 . 1 . . . A 57 TRP CH2 . 25694 1 749 . 1 1 59 59 TRP N N 15 114.860 0.000 . 1 . . . A 57 TRP N . 25694 1 750 . 1 1 59 59 TRP NE1 N 15 131.107 0.000 . 1 . . . A 57 TRP NE1 . 25694 1 751 . 1 1 60 60 CYS H H 1 7.780 0.000 . 1 . . . A 58 CYS H . 25694 1 752 . 1 1 60 60 CYS HA H 1 3.917 0.010 . 1 . . . A 58 CYS HA . 25694 1 753 . 1 1 60 60 CYS HB2 H 1 2.210 0.000 . 2 . . . A 58 CYS HB2 . 25694 1 754 . 1 1 60 60 CYS HB3 H 1 3.151 0.000 . 2 . . . A 58 CYS HB3 . 25694 1 755 . 1 1 60 60 CYS C C 13 175.480 0.000 . 1 . . . A 58 CYS C . 25694 1 756 . 1 1 60 60 CYS CA C 13 64.835 0.000 . 1 . . . A 58 CYS CA . 25694 1 757 . 1 1 60 60 CYS CB C 13 36.367 0.000 . 1 . . . A 58 CYS CB . 25694 1 758 . 1 1 60 60 CYS N N 15 121.960 0.000 . 1 . . . A 58 CYS N . 25694 1 759 . 1 1 61 61 GLN H H 1 8.073 0.000 . 1 . . . A 59 GLN H . 25694 1 760 . 1 1 61 61 GLN HA H 1 3.947 0.000 . 1 . . . A 59 GLN HA . 25694 1 761 . 1 1 61 61 GLN HB2 H 1 2.172 0.000 . 1 . . . A 59 GLN HB2 . 25694 1 762 . 1 1 61 61 GLN HB3 H 1 2.172 0.000 . 1 . . . A 59 GLN HB3 . 25694 1 763 . 1 1 61 61 GLN HG2 H 1 2.461 0.000 . 1 . . . A 59 GLN HG2 . 25694 1 764 . 1 1 61 61 GLN HG3 H 1 2.461 0.000 . 1 . . . A 59 GLN HG3 . 25694 1 765 . 1 1 61 61 GLN HE21 H 1 6.828 0.000 . 2 . . . A 59 GLN HE21 . 25694 1 766 . 1 1 61 61 GLN HE22 H 1 7.677 0.000 . 2 . . . A 59 GLN HE22 . 25694 1 767 . 1 1 61 61 GLN C C 13 178.152 0.000 . 1 . . . A 59 GLN C . 25694 1 768 . 1 1 61 61 GLN CA C 13 59.663 0.000 . 1 . . . A 59 GLN CA . 25694 1 769 . 1 1 61 61 GLN CB C 13 27.972 0.000 . 1 . . . A 59 GLN CB . 25694 1 770 . 1 1 61 61 GLN CG C 13 33.700 0.000 . 1 . . . A 59 GLN CG . 25694 1 771 . 1 1 61 61 GLN N N 15 119.203 0.000 . 1 . . . A 59 GLN N . 25694 1 772 . 1 1 61 61 GLN NE2 N 15 113.007 0.000 . 1 . . . A 59 GLN NE2 . 25694 1 773 . 1 1 62 62 GLU H H 1 8.085 0.000 . 1 . . . A 60 GLU H . 25694 1 774 . 1 1 62 62 GLU HA H 1 4.121 0.000 . 1 . . . A 60 GLU HA . 25694 1 775 . 1 1 62 62 GLU HB2 H 1 2.066 0.000 . 2 . . . A 60 GLU HB2 . 25694 1 776 . 1 1 62 62 GLU HB3 H 1 2.161 0.000 . 2 . . . A 60 GLU HB3 . 25694 1 777 . 1 1 62 62 GLU HG2 H 1 2.229 0.000 . 1 . . . A 60 GLU HG2 . 25694 1 778 . 1 1 62 62 GLU HG3 H 1 2.229 0.000 . 1 . . . A 60 GLU HG3 . 25694 1 779 . 1 1 62 62 GLU C C 13 178.367 0.000 . 1 . . . A 60 GLU C . 25694 1 780 . 1 1 62 62 GLU CA C 13 59.340 0.000 . 1 . . . A 60 GLU CA . 25694 1 781 . 1 1 62 62 GLU CB C 13 29.896 0.000 . 1 . . . A 60 GLU CB . 25694 1 782 . 1 1 62 62 GLU CG C 13 36.367 0.000 . 1 . . . A 60 GLU CG . 25694 1 783 . 1 1 62 62 GLU N N 15 118.831 0.000 . 1 . . . A 60 GLU N . 25694 1 784 . 1 1 63 63 TYR H H 1 7.666 0.000 . 1 . . . A 61 TYR H . 25694 1 785 . 1 1 63 63 TYR HA H 1 4.330 0.000 . 1 . . . A 61 TYR HA . 25694 1 786 . 1 1 63 63 TYR HB2 H 1 3.249 0.000 . 2 . . . A 61 TYR HB2 . 25694 1 787 . 1 1 63 63 TYR HB3 H 1 3.316 0.000 . 2 . . . A 61 TYR HB3 . 25694 1 788 . 1 1 63 63 TYR HD1 H 1 7.127 0.002 . 1 . . . A 61 TYR HD1 . 25694 1 789 . 1 1 63 63 TYR HD2 H 1 7.127 0.002 . 1 . . . A 61 TYR HD2 . 25694 1 790 . 1 1 63 63 TYR HE1 H 1 6.795 0.000 . 1 . . . A 61 TYR HE1 . 25694 1 791 . 1 1 63 63 TYR HE2 H 1 6.795 0.000 . 1 . . . A 61 TYR HE2 . 25694 1 792 . 1 1 63 63 TYR C C 13 177.629 0.000 . 1 . . . A 61 TYR C . 25694 1 793 . 1 1 63 63 TYR CA C 13 61.281 0.000 . 1 . . . A 61 TYR CA . 25694 1 794 . 1 1 63 63 TYR CB C 13 38.956 0.000 . 1 . . . A 61 TYR CB . 25694 1 795 . 1 1 63 63 TYR CD2 C 13 133.083 0.000 . 1 . . . A 61 TYR CD2 . 25694 1 796 . 1 1 63 63 TYR CE2 C 13 118.588 0.000 . 1 . . . A 61 TYR CE2 . 25694 1 797 . 1 1 63 63 TYR N N 15 118.802 0.000 . 1 . . . A 61 TYR N . 25694 1 798 . 1 1 64 64 LEU H H 1 8.275 0.000 . 1 . . . A 62 LEU H . 25694 1 799 . 1 1 64 64 LEU HA H 1 3.867 0.000 . 1 . . . A 62 LEU HA . 25694 1 800 . 1 1 64 64 LEU HB2 H 1 1.519 0.000 . 2 . . . A 62 LEU HB2 . 25694 1 801 . 1 1 64 64 LEU HB3 H 1 1.865 0.000 . 2 . . . A 62 LEU HB3 . 25694 1 802 . 1 1 64 64 LEU HG H 1 1.827 0.000 . 1 . . . A 62 LEU HG . 25694 1 803 . 1 1 64 64 LEU HD11 H 1 0.875 0.000 . 2 . . . A 62 LEU HD11 . 25694 1 804 . 1 1 64 64 LEU HD12 H 1 0.875 0.000 . 2 . . . A 62 LEU HD12 . 25694 1 805 . 1 1 64 64 LEU HD13 H 1 0.875 0.000 . 2 . . . A 62 LEU HD13 . 25694 1 806 . 1 1 64 64 LEU HD21 H 1 0.857 0.000 . 2 . . . A 62 LEU HD21 . 25694 1 807 . 1 1 64 64 LEU HD22 H 1 0.857 0.000 . 2 . . . A 62 LEU HD22 . 25694 1 808 . 1 1 64 64 LEU HD23 H 1 0.857 0.000 . 2 . . . A 62 LEU HD23 . 25694 1 809 . 1 1 64 64 LEU C C 13 178.724 0.000 . 1 . . . A 62 LEU C . 25694 1 810 . 1 1 64 64 LEU CA C 13 57.619 0.000 . 1 . . . A 62 LEU CA . 25694 1 811 . 1 1 64 64 LEU CB C 13 42.190 0.000 . 1 . . . A 62 LEU CB . 25694 1 812 . 1 1 64 64 LEU CG C 13 27.300 0.000 . 1 . . . A 62 LEU CG . 25694 1 813 . 1 1 64 64 LEU CD1 C 13 25.690 0.000 . 1 . . . A 62 LEU CD1 . 25694 1 814 . 1 1 64 64 LEU CD2 C 13 23.700 0.000 . 1 . . . A 62 LEU CD2 . 25694 1 815 . 1 1 64 64 LEU N N 15 119.351 0.000 . 1 . . . A 62 LEU N . 25694 1 816 . 1 1 65 65 GLU H H 1 8.066 0.000 . 1 . . . A 63 GLU H . 25694 1 817 . 1 1 65 65 GLU HA H 1 3.997 0.000 . 1 . . . A 63 GLU HA . 25694 1 818 . 1 1 65 65 GLU HB2 H 1 2.076 0.000 . 2 . . . A 63 GLU HB2 . 25694 1 819 . 1 1 65 65 GLU HB3 H 1 2.139 0.000 . 2 . . . A 63 GLU HB3 . 25694 1 820 . 1 1 65 65 GLU HG2 H 1 2.277 0.000 . 2 . . . A 63 GLU HG2 . 25694 1 821 . 1 1 65 65 GLU HG3 H 1 2.430 0.000 . 2 . . . A 63 GLU HG3 . 25694 1 822 . 1 1 65 65 GLU C C 13 178.649 0.000 . 1 . . . A 63 GLU C . 25694 1 823 . 1 1 65 65 GLU CA C 13 59.143 0.000 . 1 . . . A 63 GLU CA . 25694 1 824 . 1 1 65 65 GLU CB C 13 29.896 0.000 . 1 . . . A 63 GLU CB . 25694 1 825 . 1 1 65 65 GLU CG C 13 36.691 0.000 . 1 . . . A 63 GLU CG . 25694 1 826 . 1 1 65 65 GLU N N 15 118.049 0.000 . 1 . . . A 63 GLU N . 25694 1 827 . 1 1 66 66 LYS H H 1 7.572 0.000 . 1 . . . A 64 LYS H . 25694 1 828 . 1 1 66 66 LYS HA H 1 4.228 0.000 . 1 . . . A 64 LYS HA . 25694 1 829 . 1 1 66 66 LYS HB2 H 1 1.892 0.000 . 1 . . . A 64 LYS HB2 . 25694 1 830 . 1 1 66 66 LYS HB3 H 1 1.892 0.000 . 1 . . . A 64 LYS HB3 . 25694 1 831 . 1 1 66 66 LYS HG2 H 1 1.605 0.000 . 2 . . . A 64 LYS HG2 . 25694 1 832 . 1 1 66 66 LYS HG3 H 1 1.504 0.000 . 2 . . . A 64 LYS HG3 . 25694 1 833 . 1 1 66 66 LYS HD2 H 1 1.719 0.008 . 1 . . . A 64 LYS HD2 . 25694 1 834 . 1 1 66 66 LYS HD3 H 1 1.719 0.008 . 1 . . . A 64 LYS HD3 . 25694 1 835 . 1 1 66 66 LYS HE2 H 1 3.038 0.008 . 1 . . . A 64 LYS HE2 . 25694 1 836 . 1 1 66 66 LYS HE3 H 1 3.038 0.008 . 1 . . . A 64 LYS HE3 . 25694 1 837 . 1 1 66 66 LYS C C 13 178.085 0.000 . 1 . . . A 64 LYS C . 25694 1 838 . 1 1 66 66 LYS CA C 13 57.820 0.000 . 1 . . . A 64 LYS CA . 25694 1 839 . 1 1 66 66 LYS CB C 13 32.808 0.000 . 1 . . . A 64 LYS CB . 25694 1 840 . 1 1 66 66 LYS CG C 13 25.342 0.000 . 1 . . . A 64 LYS CG . 25694 1 841 . 1 1 66 66 LYS CD C 13 29.243 0.000 . 1 . . . A 64 LYS CD . 25694 1 842 . 1 1 66 66 LYS CE C 13 42.515 0.000 . 1 . . . A 64 LYS CE . 25694 1 843 . 1 1 66 66 LYS N N 15 117.297 0.000 . 1 . . . A 64 LYS N . 25694 1 844 . 1 1 67 67 ALA H H 1 7.964 0.000 . 1 . . . A 65 ALA H . 25694 1 845 . 1 1 67 67 ALA HA H 1 4.174 0.000 . 1 . . . A 65 ALA HA . 25694 1 846 . 1 1 67 67 ALA HB1 H 1 1.254 0.000 . 1 . . . A 65 ALA HB1 . 25694 1 847 . 1 1 67 67 ALA HB2 H 1 1.254 0.000 . 1 . . . A 65 ALA HB2 . 25694 1 848 . 1 1 67 67 ALA HB3 H 1 1.254 0.000 . 1 . . . A 65 ALA HB3 . 25694 1 849 . 1 1 67 67 ALA C C 13 178.707 0.000 . 1 . . . A 65 ALA C . 25694 1 850 . 1 1 67 67 ALA CA C 13 53.800 0.000 . 1 . . . A 65 ALA CA . 25694 1 851 . 1 1 67 67 ALA CB C 13 19.534 0.000 . 1 . . . A 65 ALA CB . 25694 1 852 . 1 1 67 67 ALA N N 15 121.570 0.000 . 1 . . . A 65 ALA N . 25694 1 853 . 1 1 68 68 LEU H H 1 7.888 0.000 . 1 . . . A 66 LEU H . 25694 1 854 . 1 1 68 68 LEU HA H 1 4.325 0.002 . 1 . . . A 66 LEU HA . 25694 1 855 . 1 1 68 68 LEU HB2 H 1 1.598 0.000 . 2 . . . A 66 LEU HB2 . 25694 1 856 . 1 1 68 68 LEU HB3 H 1 1.727 0.000 . 2 . . . A 66 LEU HB3 . 25694 1 857 . 1 1 68 68 LEU HG H 1 1.715 0.000 . 1 . . . A 66 LEU HG . 25694 1 858 . 1 1 68 68 LEU HD11 H 1 0.866 0.000 . 1 . . . A 66 LEU HD11 . 25694 1 859 . 1 1 68 68 LEU HD12 H 1 0.866 0.000 . 1 . . . A 66 LEU HD12 . 25694 1 860 . 1 1 68 68 LEU HD13 H 1 0.866 0.000 . 1 . . . A 66 LEU HD13 . 25694 1 861 . 1 1 68 68 LEU HD21 H 1 0.866 0.000 . 1 . . . A 66 LEU HD21 . 25694 1 862 . 1 1 68 68 LEU HD22 H 1 0.866 0.000 . 1 . . . A 66 LEU HD22 . 25694 1 863 . 1 1 68 68 LEU HD23 H 1 0.866 0.000 . 1 . . . A 66 LEU HD23 . 25694 1 864 . 1 1 68 68 LEU C C 13 177.264 0.000 . 1 . . . A 66 LEU C . 25694 1 865 . 1 1 68 68 LEU CA C 13 55.457 0.000 . 1 . . . A 66 LEU CA . 25694 1 866 . 1 1 68 68 LEU CB C 13 42.500 0.000 . 1 . . . A 66 LEU CB . 25694 1 867 . 1 1 68 68 LEU CG C 13 26.984 0.000 . 1 . . . A 66 LEU CG . 25694 1 868 . 1 1 68 68 LEU CD1 C 13 23.400 0.000 . 1 . . . A 66 LEU CD1 . 25694 1 869 . 1 1 68 68 LEU N N 15 117.399 0.000 . 1 . . . A 66 LEU N . 25694 1 870 . 1 1 69 69 ASN H H 1 7.959 0.000 . 1 . . . A 67 ASN H . 25694 1 871 . 1 1 69 69 ASN HA H 1 4.770 0.008 . 1 . . . A 67 ASN HA . 25694 1 872 . 1 1 69 69 ASN HB2 H 1 2.794 0.008 . 2 . . . A 67 ASN HB2 . 25694 1 873 . 1 1 69 69 ASN HB3 H 1 2.905 0.008 . 2 . . . A 67 ASN HB3 . 25694 1 874 . 1 1 69 69 ASN HD21 H 1 6.935 0.000 . 2 . . . A 67 ASN HD21 . 25694 1 875 . 1 1 69 69 ASN HD22 H 1 7.693 0.000 . 2 . . . A 67 ASN HD22 . 25694 1 876 . 1 1 69 69 ASN C C 13 174.094 0.000 . 1 . . . A 67 ASN C . 25694 1 877 . 1 1 69 69 ASN CA C 13 53.434 0.000 . 1 . . . A 67 ASN CA . 25694 1 878 . 1 1 69 69 ASN CB C 13 39.279 0.000 . 1 . . . A 67 ASN CB . 25694 1 879 . 1 1 69 69 ASN N N 15 118.846 0.000 . 1 . . . A 67 ASN N . 25694 1 880 . 1 1 69 69 ASN ND2 N 15 113.201 0.000 . 1 . . . A 67 ASN ND2 . 25694 1 881 . 1 1 70 70 LYS H H 1 7.800 0.000 . 1 . . . A 68 LYS H . 25694 1 882 . 1 1 70 70 LYS HA H 1 4.175 0.000 . 1 . . . A 68 LYS HA . 25694 1 883 . 1 1 70 70 LYS HB2 H 1 1.739 0.000 . 2 . . . A 68 LYS HB2 . 25694 1 884 . 1 1 70 70 LYS HB3 H 1 1.859 0.000 . 2 . . . A 68 LYS HB3 . 25694 1 885 . 1 1 70 70 LYS HG2 H 1 1.412 0.000 . 1 . . . A 68 LYS HG2 . 25694 1 886 . 1 1 70 70 LYS HG3 H 1 1.412 0.000 . 1 . . . A 68 LYS HG3 . 25694 1 887 . 1 1 70 70 LYS HD2 H 1 1.681 0.008 . 1 . . . A 68 LYS HD2 . 25694 1 888 . 1 1 70 70 LYS HD3 H 1 1.681 0.008 . 1 . . . A 68 LYS HD3 . 25694 1 889 . 1 1 70 70 LYS HE2 H 1 2.995 0.008 . 1 . . . A 68 LYS HE2 . 25694 1 890 . 1 1 70 70 LYS HE3 H 1 2.995 0.008 . 1 . . . A 68 LYS HE3 . 25694 1 891 . 1 1 70 70 LYS CA C 13 57.899 0.000 . 1 . . . A 68 LYS CA . 25694 1 892 . 1 1 70 70 LYS CB C 13 33.779 0.000 . 1 . . . A 68 LYS CB . 25694 1 893 . 1 1 70 70 LYS CG C 13 25.000 0.000 . 1 . . . A 68 LYS CG . 25694 1 894 . 1 1 70 70 LYS CD C 13 29.243 0.000 . 1 . . . A 68 LYS CD . 25694 1 895 . 1 1 70 70 LYS CE C 13 42.500 0.000 . 1 . . . A 68 LYS CE . 25694 1 896 . 1 1 70 70 LYS N N 15 126.242 0.000 . 1 . . . A 68 LYS N . 25694 1 897 . 2 2 1 1 GLY HA2 H 1 3.895 0.000 . 1 . . . . 199 GLY HA2 . 25694 1 898 . 2 2 1 1 GLY HA3 H 1 3.895 0.000 . 1 . . . . 199 GLY HA3 . 25694 1 899 . 2 2 1 1 GLY C C 13 174.850 0.000 . 1 . . . . 199 GLY C . 25694 1 900 . 2 2 1 1 GLY CA C 13 43.809 0.000 . 1 . . . . 199 GLY CA . 25694 1 901 . 2 2 2 2 SER H H 1 8.644 0.000 . 1 . . . . 200 SER H . 25694 1 902 . 2 2 2 2 SER HA H 1 4.528 0.000 . 1 . . . . 200 SER HA . 25694 1 903 . 2 2 2 2 SER HB2 H 1 3.913 0.000 . 1 . . . . 200 SER HB2 . 25694 1 904 . 2 2 2 2 SER HB3 H 1 3.913 0.000 . 1 . . . . 200 SER HB3 . 25694 1 905 . 2 2 2 2 SER CA C 13 58.693 0.000 . 1 . . . . 200 SER CA . 25694 1 906 . 2 2 2 2 SER N N 15 122.205 0.000 . 1 . . . . 200 SER N . 25694 1 907 . 2 2 3 3 MET HA H 1 4.559 0.000 . 1 . . . . 201 MET HA . 25694 1 908 . 2 2 3 3 MET HB2 H 1 2.013 0.000 . 2 . . . . 201 MET HB2 . 25694 1 909 . 2 2 3 3 MET HB3 H 1 2.137 0.000 . 2 . . . . 201 MET HB3 . 25694 1 910 . 2 2 3 3 MET HG2 H 1 2.510 0.000 . 2 . . . . 201 MET HG2 . 25694 1 911 . 2 2 3 3 MET HG3 H 1 2.621 0.000 . 2 . . . . 201 MET HG3 . 25694 1 912 . 2 2 3 3 MET HE1 H 1 2.046 0.000 . 1 . . . . 201 MET QE . 25694 1 913 . 2 2 3 3 MET HE2 H 1 2.046 0.000 . 1 . . . . 201 MET QE . 25694 1 914 . 2 2 3 3 MET HE3 H 1 2.046 0.000 . 1 . . . . 201 MET QE . 25694 1 915 . 2 2 3 3 MET C C 13 176.242 0.000 . 1 . . . . 201 MET C . 25694 1 916 . 2 2 3 3 MET CA C 13 55.733 0.000 . 1 . . . . 201 MET CA . 25694 1 917 . 2 2 3 3 MET CB C 13 32.791 0.000 . 1 . . . . 201 MET CB . 25694 1 918 . 2 2 3 3 MET CG C 13 32.483 0.041 . 1 . . . . 201 MET CG . 25694 1 919 . 2 2 3 3 MET CE C 13 17.265 0.000 . 1 . . . . 201 MET CE . 25694 1 920 . 2 2 4 4 GLU H H 1 8.419 0.000 . 1 . . . . 202 GLU H . 25694 1 921 . 2 2 4 4 GLU HA H 1 4.297 0.002 . 1 . . . . 202 GLU HA . 25694 1 922 . 2 2 4 4 GLU HB2 H 1 2.083 0.009 . 2 . . . . 202 GLU HB2 . 25694 1 923 . 2 2 4 4 GLU HB3 H 1 1.998 0.000 . 2 . . . . 202 GLU HB3 . 25694 1 924 . 2 2 4 4 GLU HG2 H 1 2.034 0.000 . 1 . . . . 202 GLU HG2 . 25694 1 925 . 2 2 4 4 GLU HG3 H 1 2.034 0.000 . 1 . . . . 202 GLU HG3 . 25694 1 926 . 2 2 4 4 GLU C C 13 176.980 0.000 . 1 . . . . 202 GLU C . 25694 1 927 . 2 2 4 4 GLU CA C 13 56.428 0.029 . 1 . . . . 202 GLU CA . 25694 1 928 . 2 2 4 4 GLU CB C 13 33.131 0.000 . 1 . . . . 202 GLU CB . 25694 1 929 . 2 2 4 4 GLU CG C 13 32.591 0.000 . 1 . . . . 202 GLU CG . 25694 1 930 . 2 2 4 4 GLU N N 15 121.860 0.000 . 1 . . . . 202 GLU N . 25694 1 931 . 2 2 5 5 GLY H H 1 8.439 0.000 . 1 . . . . 203 GLY H . 25694 1 932 . 2 2 5 5 GLY HA2 H 1 3.990 0.000 . 1 . . . . 203 GLY HA2 . 25694 1 933 . 2 2 5 5 GLY HA3 H 1 3.990 0.000 . 1 . . . . 203 GLY HA3 . 25694 1 934 . 2 2 5 5 GLY C C 13 173.875 0.000 . 1 . . . . 203 GLY C . 25694 1 935 . 2 2 5 5 GLY CA C 13 45.664 0.086 . 1 . . . . 203 GLY CA . 25694 1 936 . 2 2 5 5 GLY N N 15 109.819 0.000 . 1 . . . . 203 GLY N . 25694 1 937 . 2 2 6 6 ILE H H 1 7.954 0.000 . 1 . . . . 204 ILE H . 25694 1 938 . 2 2 6 6 ILE HA H 1 4.300 0.000 . 1 . . . . 204 ILE HA . 25694 1 939 . 2 2 6 6 ILE HB H 1 1.854 0.000 . 1 . . . . 204 ILE HB . 25694 1 940 . 2 2 6 6 ILE HG12 H 1 1.446 0.000 . 2 . . . . 204 ILE HG12 . 25694 1 941 . 2 2 6 6 ILE HG13 H 1 1.144 0.000 . 2 . . . . 204 ILE HG13 . 25694 1 942 . 2 2 6 6 ILE HG21 H 1 0.876 0.006 . 1 . . . . 204 ILE QG2 . 25694 1 943 . 2 2 6 6 ILE HG22 H 1 0.876 0.006 . 1 . . . . 204 ILE QG2 . 25694 1 944 . 2 2 6 6 ILE HG23 H 1 0.876 0.006 . 1 . . . . 204 ILE QG2 . 25694 1 945 . 2 2 6 6 ILE HD11 H 1 0.834 0.001 . 1 . . . . 204 ILE QD1 . 25694 1 946 . 2 2 6 6 ILE HD12 H 1 0.834 0.001 . 1 . . . . 204 ILE QD1 . 25694 1 947 . 2 2 6 6 ILE HD13 H 1 0.834 0.001 . 1 . . . . 204 ILE QD1 . 25694 1 948 . 2 2 6 6 ILE C C 13 176.187 0.000 . 1 . . . . 204 ILE C . 25694 1 949 . 2 2 6 6 ILE CA C 13 61.243 0.000 . 1 . . . . 204 ILE CA . 25694 1 950 . 2 2 6 6 ILE CB C 13 39.279 0.000 . 1 . . . . 204 ILE CB . 25694 1 951 . 2 2 6 6 ILE CG1 C 13 27.207 0.000 . 1 . . . . 204 ILE CG1 . 25694 1 952 . 2 2 6 6 ILE CG2 C 13 17.907 0.000 . 1 . . . . 204 ILE CG2 . 25694 1 953 . 2 2 6 6 ILE CD1 C 13 13.383 0.000 . 1 . . . . 204 ILE CD1 . 25694 1 954 . 2 2 6 6 ILE N N 15 119.730 0.000 . 1 . . . . 204 ILE N . 25694 1 955 . 2 2 7 7 SER H H 1 8.455 0.000 . 1 . . . . 205 SER H . 25694 1 956 . 2 2 7 7 SER HA H 1 4.577 0.009 . 1 . . . . 205 SER HA . 25694 1 957 . 2 2 7 7 SER HB2 H 1 3.812 0.000 . 1 . . . . 205 SER HB2 . 25694 1 958 . 2 2 7 7 SER HB3 H 1 3.812 0.000 . 1 . . . . 205 SER HB3 . 25694 1 959 . 2 2 7 7 SER C C 13 174.198 0.000 . 1 . . . . 205 SER C . 25694 1 960 . 2 2 7 7 SER CA C 13 58.475 0.000 . 1 . . . . 205 SER CA . 25694 1 961 . 2 2 7 7 SER CB C 13 64.170 0.000 . 1 . . . . 205 SER CB . 25694 1 962 . 2 2 7 7 SER N N 15 120.412 0.000 . 1 . . . . 205 SER N . 25694 1 963 . 2 2 8 8 ILE H H 1 8.130 0.000 . 1 . . . . 206 ILE H . 25694 1 964 . 2 2 8 8 ILE HA H 1 4.293 0.000 . 1 . . . . 206 ILE HA . 25694 1 965 . 2 2 8 8 ILE HB H 1 1.779 0.000 . 1 . . . . 206 ILE HB . 25694 1 966 . 2 2 8 8 ILE HG12 H 1 1.024 0.000 . 2 . . . . 206 ILE HG12 . 25694 1 967 . 2 2 8 8 ILE HG13 H 1 1.218 0.003 . 2 . . . . 206 ILE HG13 . 25694 1 968 . 2 2 8 8 ILE HG21 H 1 0.786 0.000 . 1 . . . . 206 ILE QG2 . 25694 1 969 . 2 2 8 8 ILE HG22 H 1 0.786 0.000 . 1 . . . . 206 ILE QG2 . 25694 1 970 . 2 2 8 8 ILE HG23 H 1 0.786 0.000 . 1 . . . . 206 ILE QG2 . 25694 1 971 . 2 2 8 8 ILE HD11 H 1 0.760 0.000 . 1 . . . . 206 ILE QD1 . 25694 1 972 . 2 2 8 8 ILE HD12 H 1 0.760 0.000 . 1 . . . . 206 ILE QD1 . 25694 1 973 . 2 2 8 8 ILE HD13 H 1 0.760 0.000 . 1 . . . . 206 ILE QD1 . 25694 1 974 . 2 2 8 8 ILE C C 13 175.652 0.000 . 1 . . . . 206 ILE C . 25694 1 975 . 2 2 8 8 ILE CA C 13 61.264 0.000 . 1 . . . . 206 ILE CA . 25694 1 976 . 2 2 8 8 ILE CB C 13 39.262 0.000 . 1 . . . . 206 ILE CB . 25694 1 977 . 2 2 8 8 ILE CG1 C 13 27.290 0.000 . 1 . . . . 206 ILE CG1 . 25694 1 978 . 2 2 8 8 ILE CG2 C 13 17.930 0.000 . 1 . . . . 206 ILE CG2 . 25694 1 979 . 2 2 8 8 ILE CD1 C 13 13.383 0.000 . 1 . . . . 206 ILE CD1 . 25694 1 980 . 2 2 8 8 ILE N N 15 121.730 0.000 . 1 . . . . 206 ILE N . 25694 1 981 . 2 2 9 9 TYR H H 1 8.295 0.000 . 1 . . . . 207 TYR H . 25694 1 982 . 2 2 9 9 TYR HA H 1 4.745 0.000 . 1 . . . . 207 TYR HA . 25694 1 983 . 2 2 9 9 TYR HB2 H 1 3.040 0.000 . 2 . . . . 207 TYR HB2 . 25694 1 984 . 2 2 9 9 TYR HB3 H 1 2.868 0.000 . 2 . . . . 207 TYR HB3 . 25694 1 985 . 2 2 9 9 TYR HD1 H 1 7.062 0.002 . 1 . . . . 207 TYR HD1 . 25694 1 986 . 2 2 9 9 TYR HD2 H 1 7.062 0.002 . 1 . . . . 207 TYR HD2 . 25694 1 987 . 2 2 9 9 TYR HE1 H 1 6.789 0.006 . 1 . . . . 207 TYR HE1 . 25694 1 988 . 2 2 9 9 TYR HE2 H 1 6.789 0.006 . 1 . . . . 207 TYR HE2 . 25694 1 989 . 2 2 9 9 TYR C C 13 175.746 0.000 . 1 . . . . 207 TYR C . 25694 1 990 . 2 2 9 9 TYR CA C 13 58.028 0.000 . 1 . . . . 207 TYR CA . 25694 1 991 . 2 2 9 9 TYR CB C 13 39.603 0.000 . 1 . . . . 207 TYR CB . 25694 1 992 . 2 2 9 9 TYR CD1 C 13 133.323 0.029 . 1 . . . . 207 TYR CD1 . 25694 1 993 . 2 2 9 9 TYR CE1 C 13 118.329 0.000 . 1 . . . . 207 TYR CE1 . 25694 1 994 . 2 2 9 9 TYR N N 15 123.837 0.000 . 1 . . . . 207 TYR N . 25694 1 995 . 2 2 10 10 THR H H 1 8.092 0.000 . 1 . . . . 208 THR H . 25694 1 996 . 2 2 10 10 THR HA H 1 4.483 0.000 . 1 . . . . 208 THR HA . 25694 1 997 . 2 2 10 10 THR HB H 1 4.261 0.000 . 1 . . . . 208 THR HB . 25694 1 998 . 2 2 10 10 THR HG21 H 1 1.161 0.000 . 1 . . . . 208 THR QG2 . 25694 1 999 . 2 2 10 10 THR HG22 H 1 1.161 0.000 . 1 . . . . 208 THR QG2 . 25694 1 1000 . 2 2 10 10 THR HG23 H 1 1.161 0.000 . 1 . . . . 208 THR QG2 . 25694 1 1001 . 2 2 10 10 THR C C 13 174.206 0.000 . 1 . . . . 208 THR C . 25694 1 1002 . 2 2 10 10 THR CA C 13 61.264 0.000 . 1 . . . . 208 THR CA . 25694 1 1003 . 2 2 10 10 THR CB C 13 70.324 0.000 . 1 . . . . 208 THR CB . 25694 1 1004 . 2 2 10 10 THR CG2 C 13 21.795 0.000 . 1 . . . . 208 THR CG2 . 25694 1 1005 . 2 2 10 10 THR N N 15 115.760 0.000 . 1 . . . . 208 THR N . 25694 1 1006 . 2 2 11 11 SER H H 1 8.254 0.000 . 1 . . . . 209 SER H . 25694 1 1007 . 2 2 11 11 SER HA H 1 4.467 0.000 . 1 . . . . 209 SER HA . 25694 1 1008 . 2 2 11 11 SER HB2 H 1 3.940 0.001 . 2 . . . . 209 SER HB2 . 25694 1 1009 . 2 2 11 11 SER HB3 H 1 3.865 0.000 . 2 . . . . 209 SER HB3 . 25694 1 1010 . 2 2 11 11 SER C C 13 174.362 0.000 . 1 . . . . 209 SER C . 25694 1 1011 . 2 2 11 11 SER CA C 13 58.713 0.000 . 1 . . . . 209 SER CA . 25694 1 1012 . 2 2 11 11 SER CB C 13 64.170 0.000 . 1 . . . . 209 SER CB . 25694 1 1013 . 2 2 11 11 SER N N 15 117.340 0.000 . 1 . . . . 209 SER N . 25694 1 1014 . 2 2 12 12 ASP H H 1 8.409 0.003 . 1 . . . . 210 ASP H . 25694 1 1015 . 2 2 12 12 ASP HA H 1 4.630 0.010 . 1 . . . . 210 ASP HA . 25694 1 1016 . 2 2 12 12 ASP HB2 H 1 2.688 0.000 . 2 . . . . 210 ASP HB2 . 25694 1 1017 . 2 2 12 12 ASP HB3 H 1 2.626 0.000 . 2 . . . . 210 ASP HB3 . 25694 1 1018 . 2 2 12 12 ASP C C 13 175.919 0.000 . 1 . . . . 210 ASP C . 25694 1 1019 . 2 2 12 12 ASP CA C 13 54.486 0.000 . 1 . . . . 210 ASP CA . 25694 1 1020 . 2 2 12 12 ASP CB C 13 41.539 0.007 . 1 . . . . 210 ASP CB . 25694 1 1021 . 2 2 12 12 ASP N N 15 121.955 0.095 . 1 . . . . 210 ASP N . 25694 1 1022 . 2 2 13 13 ASN H H 1 8.278 0.000 . 1 . . . . 211 ASN H . 25694 1 1023 . 2 2 13 13 ASN HA H 1 4.693 0.000 . 1 . . . . 211 ASN HA . 25694 1 1024 . 2 2 13 13 ASN HB2 H 1 2.697 0.000 . 1 . . . . 211 ASN HB2 . 25694 1 1025 . 2 2 13 13 ASN HB3 H 1 2.697 0.000 . 1 . . . . 211 ASN HB3 . 25694 1 1026 . 2 2 13 13 ASN C C 13 174.866 0.000 . 1 . . . . 211 ASN C . 25694 1 1027 . 2 2 13 13 ASN CA C 13 53.561 0.000 . 1 . . . . 211 ASN CA . 25694 1 1028 . 2 2 13 13 ASN CB C 13 39.351 0.000 . 1 . . . . 211 ASN CB . 25694 1 1029 . 2 2 13 13 ASN N N 15 117.959 0.000 . 1 . . . . 211 ASN N . 25694 1 1030 . 2 2 14 14 TYR H H 1 8.124 0.000 . 1 . . . . 212 TYR H . 25694 1 1031 . 2 2 14 14 TYR HA H 1 4.579 0.000 . 1 . . . . 212 TYR HA . 25694 1 1032 . 2 2 14 14 TYR HB2 H 1 3.000 0.009 . 1 . . . . 212 TYR HB2 . 25694 1 1033 . 2 2 14 14 TYR HB3 H 1 3.000 0.009 . 1 . . . . 212 TYR HB3 . 25694 1 1034 . 2 2 14 14 TYR HD1 H 1 7.040 0.000 . 1 . . . . 212 TYR HD1 . 25694 1 1035 . 2 2 14 14 TYR HD2 H 1 7.040 0.000 . 1 . . . . 212 TYR HD2 . 25694 1 1036 . 2 2 14 14 TYR HE1 H 1 6.773 0.003 . 1 . . . . 212 TYR HE1 . 25694 1 1037 . 2 2 14 14 TYR HE2 H 1 6.773 0.003 . 1 . . . . 212 TYR HE2 . 25694 1 1038 . 2 2 14 14 TYR C C 13 175.888 0.000 . 1 . . . . 212 TYR C . 25694 1 1039 . 2 2 14 14 TYR CA C 13 58.685 0.000 . 1 . . . . 212 TYR CA . 25694 1 1040 . 2 2 14 14 TYR CB C 13 38.955 0.000 . 1 . . . . 212 TYR CB . 25694 1 1041 . 2 2 14 14 TYR CD1 C 13 133.304 0.032 . 1 . . . . 212 TYR CD1 . 25694 1 1042 . 2 2 14 14 TYR CE1 C 13 118.329 0.000 . 1 . . . . 212 TYR CE1 . 25694 1 1043 . 2 2 14 14 TYR N N 15 120.918 0.000 . 1 . . . . 212 TYR N . 25694 1 1044 . 2 2 15 15 THR H H 1 7.906 0.000 . 1 . . . . 213 THR H . 25694 1 1045 . 2 2 15 15 THR HA H 1 4.277 0.000 . 1 . . . . 213 THR HA . 25694 1 1046 . 2 2 15 15 THR HB H 1 4.173 0.000 . 1 . . . . 213 THR HB . 25694 1 1047 . 2 2 15 15 THR HG21 H 1 1.147 0.000 . 1 . . . . 213 THR QG2 . 25694 1 1048 . 2 2 15 15 THR HG22 H 1 1.147 0.000 . 1 . . . . 213 THR QG2 . 25694 1 1049 . 2 2 15 15 THR HG23 H 1 1.147 0.000 . 1 . . . . 213 THR QG2 . 25694 1 1050 . 2 2 15 15 THR C C 13 174.268 0.000 . 1 . . . . 213 THR C . 25694 1 1051 . 2 2 15 15 THR CA C 13 61.911 0.000 . 1 . . . . 213 THR CA . 25694 1 1052 . 2 2 15 15 THR CB C 13 70.341 0.000 . 1 . . . . 213 THR CB . 25694 1 1053 . 2 2 15 15 THR CG2 C 13 21.795 0.000 . 1 . . . . 213 THR CG2 . 25694 1 1054 . 2 2 15 15 THR N N 15 116.346 0.000 . 1 . . . . 213 THR N . 25694 1 1055 . 2 2 16 16 GLU H H 1 8.329 0.000 . 1 . . . . 214 GLU H . 25694 1 1056 . 2 2 16 16 GLU HA H 1 4.253 0.000 . 1 . . . . 214 GLU HA . 25694 1 1057 . 2 2 16 16 GLU HB2 H 1 1.947 0.001 . 1 . . . . 214 GLU HB2 . 25694 1 1058 . 2 2 16 16 GLU HB3 H 1 1.947 0.001 . 1 . . . . 214 GLU HB3 . 25694 1 1059 . 2 2 16 16 GLU HG2 H 1 2.274 0.006 . 1 . . . . 214 GLU HG2 . 25694 1 1060 . 2 2 16 16 GLU HG3 H 1 2.274 0.006 . 1 . . . . 214 GLU HG3 . 25694 1 1061 . 2 2 16 16 GLU C C 13 176.666 0.000 . 1 . . . . 214 GLU C . 25694 1 1062 . 2 2 16 16 GLU CA C 13 57.153 0.000 . 1 . . . . 214 GLU CA . 25694 1 1063 . 2 2 16 16 GLU CB C 13 29.896 0.000 . 1 . . . . 214 GLU CB . 25694 1 1064 . 2 2 16 16 GLU CG C 13 36.369 0.002 . 1 . . . . 214 GLU CG . 25694 1 1065 . 2 2 16 16 GLU N N 15 122.821 0.000 . 1 . . . . 214 GLU N . 25694 1 1066 . 2 2 17 17 GLU H H 1 8.415 0.000 . 1 . . . . 215 GLU H . 25694 1 1067 . 2 2 17 17 GLU HA H 1 4.273 0.002 . 1 . . . . 215 GLU HA . 25694 1 1068 . 2 2 17 17 GLU HB2 H 1 2.048 0.001 . 1 . . . . 215 GLU HB2 . 25694 1 1069 . 2 2 17 17 GLU HB3 H 1 2.048 0.001 . 1 . . . . 215 GLU HB3 . 25694 1 1070 . 2 2 17 17 GLU HG2 H 1 2.306 0.000 . 1 . . . . 215 GLU HG2 . 25694 1 1071 . 2 2 17 17 GLU HG3 H 1 2.306 0.000 . 1 . . . . 215 GLU HG3 . 25694 1 1072 . 2 2 17 17 GLU C C 13 176.816 0.000 . 1 . . . . 215 GLU C . 25694 1 1073 . 2 2 17 17 GLU CA C 13 57.125 0.057 . 1 . . . . 215 GLU CA . 25694 1 1074 . 2 2 17 17 GLU CB C 13 29.896 0.000 . 1 . . . . 215 GLU CB . 25694 1 1075 . 2 2 17 17 GLU CG C 13 36.367 0.000 . 1 . . . . 215 GLU CG . 25694 1 1076 . 2 2 17 17 GLU N N 15 121.622 0.000 . 1 . . . . 215 GLU N . 25694 1 1077 . 2 2 18 18 MET H H 1 8.377 0.000 . 1 . . . . 216 MET H . 25694 1 1078 . 2 2 18 18 MET HA H 1 4.445 0.000 . 1 . . . . 216 MET HA . 25694 1 1079 . 2 2 18 18 MET HB2 H 1 2.086 0.000 . 2 . . . . 216 MET HB2 . 25694 1 1080 . 2 2 18 18 MET HB3 H 1 1.997 0.001 . 2 . . . . 216 MET HB3 . 25694 1 1081 . 2 2 18 18 MET HG2 H 1 2.573 0.000 . 1 . . . . 216 MET HG2 . 25694 1 1082 . 2 2 18 18 MET HG3 H 1 2.573 0.000 . 1 . . . . 216 MET HG3 . 25694 1 1083 . 2 2 18 18 MET C C 13 176.988 0.000 . 1 . . . . 216 MET C . 25694 1 1084 . 2 2 18 18 MET CA C 13 56.104 0.000 . 1 . . . . 216 MET CA . 25694 1 1085 . 2 2 18 18 MET CB C 13 33.131 0.000 . 1 . . . . 216 MET CB . 25694 1 1086 . 2 2 18 18 MET CG C 13 32.484 0.000 . 1 . . . . 216 MET CG . 25694 1 1087 . 2 2 18 18 MET N N 15 121.167 0.000 . 1 . . . . 216 MET N . 25694 1 1088 . 2 2 19 19 GLY H H 1 8.432 0.000 . 1 . . . . 217 GLY H . 25694 1 1089 . 2 2 19 19 GLY HA2 H 1 4.046 0.000 . 1 . . . . 217 GLY HA2 . 25694 1 1090 . 2 2 19 19 GLY HA3 H 1 4.046 0.000 . 1 . . . . 217 GLY HA3 . 25694 1 1091 . 2 2 19 19 GLY C C 13 174.363 0.000 . 1 . . . . 217 GLY C . 25694 1 1092 . 2 2 19 19 GLY CA C 13 45.720 0.000 . 1 . . . . 217 GLY CA . 25694 1 1093 . 2 2 19 19 GLY N N 15 110.029 0.000 . 1 . . . . 217 GLY N . 25694 1 1094 . 2 2 20 20 SER H H 1 8.303 0.000 . 1 . . . . 218 SER H . 25694 1 1095 . 2 2 20 20 SER HA H 1 4.490 0.000 . 1 . . . . 218 SER HA . 25694 1 1096 . 2 2 20 20 SER HB2 H 1 3.904 0.000 . 1 . . . . 218 SER HB2 . 25694 1 1097 . 2 2 20 20 SER HB3 H 1 3.904 0.000 . 1 . . . . 218 SER HB3 . 25694 1 1098 . 2 2 20 20 SER C C 13 175.259 0.000 . 1 . . . . 218 SER C . 25694 1 1099 . 2 2 20 20 SER CA C 13 58.685 0.000 . 1 . . . . 218 SER CA . 25694 1 1100 . 2 2 20 20 SER CB C 13 64.187 0.000 . 1 . . . . 218 SER CB . 25694 1 1101 . 2 2 20 20 SER N N 15 115.489 0.000 . 1 . . . . 218 SER N . 25694 1 1102 . 2 2 21 21 GLY H H 1 8.486 0.000 . 1 . . . . 219 GLY H . 25694 1 1103 . 2 2 21 21 GLY HA2 H 1 3.941 0.000 . 1 . . . . 219 GLY HA2 . 25694 1 1104 . 2 2 21 21 GLY HA3 H 1 3.941 0.000 . 1 . . . . 219 GLY HA3 . 25694 1 1105 . 2 2 21 21 GLY C C 13 173.883 0.000 . 1 . . . . 219 GLY C . 25694 1 1106 . 2 2 21 21 GLY CA C 13 45.848 0.097 . 1 . . . . 219 GLY CA . 25694 1 1107 . 2 2 21 21 GLY N N 15 110.756 0.000 . 1 . . . . 219 GLY N . 25694 1 1108 . 2 2 22 22 ASP H H 1 8.166 0.000 . 1 . . . . 220 ASP H . 25694 1 1109 . 2 2 22 22 ASP HA H 1 4.603 0.000 . 1 . . . . 220 ASP HA . 25694 1 1110 . 2 2 22 22 ASP HB2 H 1 2.629 0.000 . 2 . . . . 220 ASP HB2 . 25694 1 1111 . 2 2 22 22 ASP HB3 H 1 2.522 0.000 . 2 . . . . 220 ASP HB3 . 25694 1 1112 . 2 2 22 22 ASP C C 13 176.249 0.000 . 1 . . . . 220 ASP C . 25694 1 1113 . 2 2 22 22 ASP CA C 13 54.568 0.000 . 1 . . . . 220 ASP CA . 25694 1 1114 . 2 2 22 22 ASP CB C 13 41.544 0.000 . 1 . . . . 220 ASP CB . 25694 1 1115 . 2 2 22 22 ASP N N 15 120.332 0.000 . 1 . . . . 220 ASP N . 25694 1 1116 . 2 2 23 23 TYR H H 1 8.149 0.000 . 1 . . . . 221 TYR H . 25694 1 1117 . 2 2 23 23 TYR HA H 1 4.495 0.000 . 1 . . . . 221 TYR HA . 25694 1 1118 . 2 2 23 23 TYR HB2 H 1 2.951 0.000 . 2 . . . . 221 TYR HB2 . 25694 1 1119 . 2 2 23 23 TYR HB3 H 1 3.068 0.000 . 2 . . . . 221 TYR HB3 . 25694 1 1120 . 2 2 23 23 TYR HD1 H 1 7.088 0.012 . 1 . . . . 221 TYR HD1 . 25694 1 1121 . 2 2 23 23 TYR HD2 H 1 7.088 0.012 . 1 . . . . 221 TYR HD2 . 25694 1 1122 . 2 2 23 23 TYR HE1 H 1 6.795 0.000 . 1 . . . . 221 TYR HE1 . 25694 1 1123 . 2 2 23 23 TYR HE2 H 1 6.795 0.000 . 1 . . . . 221 TYR HE2 . 25694 1 1124 . 2 2 23 23 TYR C C 13 175.951 0.000 . 1 . . . . 221 TYR C . 25694 1 1125 . 2 2 23 23 TYR CA C 13 58.685 0.000 . 1 . . . . 221 TYR CA . 25694 1 1126 . 2 2 23 23 TYR CB C 13 39.007 0.000 . 1 . . . . 221 TYR CB . 25694 1 1127 . 2 2 23 23 TYR CD1 C 13 133.370 0.000 . 1 . . . . 221 TYR CD1 . 25694 1 1128 . 2 2 23 23 TYR CE1 C 13 118.349 0.000 . 1 . . . . 221 TYR CE1 . 25694 1 1129 . 2 2 23 23 TYR N N 15 120.434 0.000 . 1 . . . . 221 TYR N . 25694 1 1130 . 2 2 24 24 ASP H H 1 8.267 0.000 . 1 . . . . 222 ASP H . 25694 1 1131 . 2 2 24 24 ASP HA H 1 4.600 0.008 . 1 . . . . 222 ASP HA . 25694 1 1132 . 2 2 24 24 ASP HB2 H 1 2.694 0.000 . 2 . . . . 222 ASP HB2 . 25694 1 1133 . 2 2 24 24 ASP HB3 H 1 2.616 0.000 . 2 . . . . 222 ASP HB3 . 25694 1 1134 . 2 2 24 24 ASP C C 13 176.705 0.000 . 1 . . . . 222 ASP C . 25694 1 1135 . 2 2 24 24 ASP CA C 13 54.974 0.100 . 1 . . . . 222 ASP CA . 25694 1 1136 . 2 2 24 24 ASP CB C 13 41.544 0.000 . 1 . . . . 222 ASP CB . 25694 1 1137 . 2 2 24 24 ASP N N 15 121.701 0.000 . 1 . . . . 222 ASP N . 25694 1 1138 . 2 2 25 25 SER H H 1 8.193 0.000 . 1 . . . . 223 SER H . 25694 1 1139 . 2 2 25 25 SER HA H 1 4.339 0.000 . 1 . . . . 223 SER HA . 25694 1 1140 . 2 2 25 25 SER HB2 H 1 3.950 0.001 . 2 . . . . 223 SER HB2 . 25694 1 1141 . 2 2 25 25 SER HB3 H 1 3.891 0.005 . 2 . . . . 223 SER HB3 . 25694 1 1142 . 2 2 25 25 SER C C 13 174.976 0.000 . 1 . . . . 223 SER C . 25694 1 1143 . 2 2 25 25 SER CA C 13 59.323 0.000 . 1 . . . . 223 SER CA . 25694 1 1144 . 2 2 25 25 SER CB C 13 63.870 0.000 . 1 . . . . 223 SER CB . 25694 1 1145 . 2 2 25 25 SER N N 15 116.413 0.000 . 1 . . . . 223 SER N . 25694 1 1146 . 2 2 26 26 MET H H 1 8.252 0.000 . 1 . . . . 224 MET H . 25694 1 1147 . 2 2 26 26 MET HA H 1 4.460 0.000 . 1 . . . . 224 MET HA . 25694 1 1148 . 2 2 26 26 MET HB2 H 1 2.103 0.000 . 2 . . . . 224 MET HB2 . 25694 1 1149 . 2 2 26 26 MET HB3 H 1 2.046 0.000 . 2 . . . . 224 MET HB3 . 25694 1 1150 . 2 2 26 26 MET HG2 H 1 2.609 0.000 . 2 . . . . 224 MET HG2 . 25694 1 1151 . 2 2 26 26 MET HG3 H 1 2.497 0.000 . 2 . . . . 224 MET HG3 . 25694 1 1152 . 2 2 26 26 MET C C 13 176.289 0.000 . 1 . . . . 224 MET C . 25694 1 1153 . 2 2 26 26 MET CA C 13 56.062 0.000 . 1 . . . . 224 MET CA . 25694 1 1154 . 2 2 26 26 MET CB C 13 32.808 0.000 . 1 . . . . 224 MET CB . 25694 1 1155 . 2 2 26 26 MET CG C 13 32.591 0.000 . 1 . . . . 224 MET CG . 25694 1 1156 . 2 2 26 26 MET N N 15 120.969 0.000 . 1 . . . . 224 MET N . 25694 1 1157 . 2 2 27 27 LYS H H 1 8.010 0.000 . 1 . . . . 225 LYS H . 25694 1 1158 . 2 2 27 27 LYS HA H 1 4.325 0.000 . 1 . . . . 225 LYS HA . 25694 1 1159 . 2 2 27 27 LYS HB2 H 1 1.830 0.000 . 2 . . . . 225 LYS HB2 . 25694 1 1160 . 2 2 27 27 LYS HB3 H 1 1.739 0.000 . 2 . . . . 225 LYS HB3 . 25694 1 1161 . 2 2 27 27 LYS HG2 H 1 1.402 0.008 . 1 . . . . 225 LYS HG2 . 25694 1 1162 . 2 2 27 27 LYS HG3 H 1 1.402 0.008 . 1 . . . . 225 LYS HG3 . 25694 1 1163 . 2 2 27 27 LYS HD2 H 1 1.658 0.000 . 1 . . . . 225 LYS HD2 . 25694 1 1164 . 2 2 27 27 LYS HD3 H 1 1.658 0.000 . 1 . . . . 225 LYS HD3 . 25694 1 1165 . 2 2 27 27 LYS HE2 H 1 2.997 0.000 . 1 . . . . 225 LYS HE2 . 25694 1 1166 . 2 2 27 27 LYS HE3 H 1 2.997 0.000 . 1 . . . . 225 LYS HE3 . 25694 1 1167 . 2 2 27 27 LYS C C 13 176.297 0.000 . 1 . . . . 225 LYS C . 25694 1 1168 . 2 2 27 27 LYS CA C 13 56.367 0.000 . 1 . . . . 225 LYS CA . 25694 1 1169 . 2 2 27 27 LYS CB C 13 33.455 0.000 . 1 . . . . 225 LYS CB . 25694 1 1170 . 2 2 27 27 LYS CG C 13 25.145 0.000 . 1 . . . . 225 LYS CG . 25694 1 1171 . 2 2 27 27 LYS CD C 13 29.231 0.000 . 1 . . . . 225 LYS CD . 25694 1 1172 . 2 2 27 27 LYS CE C 13 42.559 0.000 . 1 . . . . 225 LYS CE . 25694 1 1173 . 2 2 27 27 LYS N N 15 121.283 0.000 . 1 . . . . 225 LYS N . 25694 1 1174 . 2 2 28 28 GLU H H 1 8.285 0.000 . 1 . . . . 226 GLU H . 25694 1 1175 . 2 2 28 28 GLU HA H 1 4.550 0.000 . 1 . . . . 226 GLU HA . 25694 1 1176 . 2 2 28 28 GLU HB2 H 1 2.055 0.000 . 2 . . . . 226 GLU HB2 . 25694 1 1177 . 2 2 28 28 GLU HB3 H 1 1.925 0.000 . 2 . . . . 226 GLU HB3 . 25694 1 1178 . 2 2 28 28 GLU CA C 13 54.486 0.000 . 1 . . . . 226 GLU CA . 25694 1 1179 . 2 2 28 28 GLU CB C 13 29.896 0.000 . 1 . . . . 226 GLU CB . 25694 1 1180 . 2 2 28 28 GLU N N 15 122.804 0.000 . 1 . . . . 226 GLU N . 25694 1 1181 . 2 2 29 29 PRO HA H 1 4.358 0.005 . 1 . . . . 227 PRO HA . 25694 1 1182 . 2 2 29 29 PRO HB2 H 1 1.840 0.000 . 2 . . . . 227 PRO HB2 . 25694 1 1183 . 2 2 29 29 PRO HB3 H 1 2.234 0.000 . 2 . . . . 227 PRO HB3 . 25694 1 1184 . 2 2 29 29 PRO HG2 H 1 1.996 0.000 . 1 . . . . 227 PRO HG2 . 25694 1 1185 . 2 2 29 29 PRO HG3 H 1 1.996 0.000 . 1 . . . . 227 PRO HG3 . 25694 1 1186 . 2 2 29 29 PRO HD2 H 1 3.681 0.000 . 2 . . . . 227 PRO HD2 . 25694 1 1187 . 2 2 29 29 PRO HD3 H 1 3.792 0.000 . 2 . . . . 227 PRO HD3 . 25694 1 1188 . 2 2 29 29 PRO C C 13 176.713 0.000 . 1 . . . . 227 PRO C . 25694 1 1189 . 2 2 29 29 PRO CA C 13 63.625 0.000 . 1 . . . . 227 PRO CA . 25694 1 1190 . 2 2 29 29 PRO CB C 13 32.140 0.000 . 1 . . . . 227 PRO CB . 25694 1 1191 . 2 2 29 29 PRO CG C 13 27.614 0.000 . 1 . . . . 227 PRO CG . 25694 1 1192 . 2 2 29 29 PRO CD C 13 50.910 0.000 . 1 . . . . 227 PRO CD . 25694 1 1193 . 2 2 30 30 ALA H H 1 8.356 0.000 . 1 . . . . 228 ALA H . 25694 1 1194 . 2 2 30 30 ALA HA H 1 4.264 0.000 . 1 . . . . 228 ALA HA . 25694 1 1195 . 2 2 30 30 ALA HB1 H 1 1.320 0.004 . 1 . . . . 228 ALA QB . 25694 1 1196 . 2 2 30 30 ALA HB2 H 1 1.320 0.004 . 1 . . . . 228 ALA QB . 25694 1 1197 . 2 2 30 30 ALA HB3 H 1 1.320 0.004 . 1 . . . . 228 ALA QB . 25694 1 1198 . 2 2 30 30 ALA C C 13 177.523 0.000 . 1 . . . . 228 ALA C . 25694 1 1199 . 2 2 30 30 ALA CA C 13 52.829 0.000 . 1 . . . . 228 ALA CA . 25694 1 1200 . 2 2 30 30 ALA CB C 13 19.646 0.000 . 1 . . . . 228 ALA CB . 25694 1 1201 . 2 2 30 30 ALA N N 15 123.407 0.000 . 1 . . . . 228 ALA N . 25694 1 1202 . 2 2 31 31 PHE H H 1 8.096 0.000 . 1 . . . . 229 PHE H . 25694 1 1203 . 2 2 31 31 PHE HA H 1 4.605 0.000 . 1 . . . . 229 PHE HA . 25694 1 1204 . 2 2 31 31 PHE HB2 H 1 3.090 0.000 . 1 . . . . 229 PHE HB2 . 25694 1 1205 . 2 2 31 31 PHE HD1 H 1 7.237 0.007 . 1 . . . . 229 PHE HD1 . 25694 1 1206 . 2 2 31 31 PHE HD2 H 1 7.237 0.007 . 1 . . . . 229 PHE HD2 . 25694 1 1207 . 2 2 31 31 PHE HE1 H 1 7.329 0.000 . 1 . . . . 229 PHE HE1 . 25694 1 1208 . 2 2 31 31 PHE HE2 H 1 7.329 0.000 . 1 . . . . 229 PHE HE2 . 25694 1 1209 . 2 2 31 31 PHE C C 13 175.503 0.000 . 1 . . . . 229 PHE C . 25694 1 1210 . 2 2 31 31 PHE CA C 13 57.722 0.000 . 1 . . . . 229 PHE CA . 25694 1 1211 . 2 2 31 31 PHE CB C 13 39.809 0.000 . 1 . . . . 229 PHE CB . 25694 1 1212 . 2 2 31 31 PHE CD1 C 13 132.047 0.000 . 1 . . . . 229 PHE CD1 . 25694 1 1213 . 2 2 31 31 PHE CE1 C 13 131.789 0.000 . 1 . . . . 229 PHE CE1 . 25694 1 1214 . 2 2 31 31 PHE N N 15 118.876 0.000 . 1 . . . . 229 PHE N . 25694 1 1215 . 2 2 32 32 ARG H H 1 8.109 0.000 . 1 . . . . 230 ARG H . 25694 1 1216 . 2 2 32 32 ARG HA H 1 4.289 0.000 . 1 . . . . 230 ARG HA . 25694 1 1217 . 2 2 32 32 ARG HB2 H 1 1.700 0.000 . 2 . . . . 230 ARG HB2 . 25694 1 1218 . 2 2 32 32 ARG HB3 H 1 1.795 0.000 . 2 . . . . 230 ARG HB3 . 25694 1 1219 . 2 2 32 32 ARG HG2 H 1 1.550 0.000 . 1 . . . . 230 ARG HG2 . 25694 1 1220 . 2 2 32 32 ARG HG3 H 1 1.550 0.000 . 1 . . . . 230 ARG HG3 . 25694 1 1221 . 2 2 32 32 ARG HD2 H 1 3.160 0.003 . 1 . . . . 230 ARG HD2 . 25694 1 1222 . 2 2 32 32 ARG HD3 H 1 3.160 0.003 . 1 . . . . 230 ARG HD3 . 25694 1 1223 . 2 2 32 32 ARG C C 13 175.762 0.000 . 1 . . . . 230 ARG C . 25694 1 1224 . 2 2 32 32 ARG CA C 13 56.062 0.000 . 1 . . . . 230 ARG CA . 25694 1 1225 . 2 2 32 32 ARG CB C 13 31.560 0.000 . 1 . . . . 230 ARG CB . 25694 1 1226 . 2 2 32 32 ARG CG C 13 27.307 0.000 . 1 . . . . 230 ARG CG . 25694 1 1227 . 2 2 32 32 ARG CD C 13 43.485 0.000 . 1 . . . . 230 ARG CD . 25694 1 1228 . 2 2 32 32 ARG N N 15 123.120 0.000 . 1 . . . . 230 ARG N . 25694 1 1229 . 2 2 33 33 GLU H H 1 8.460 0.000 . 1 . . . . 231 GLU H . 25694 1 1230 . 2 2 33 33 GLU HA H 1 4.220 0.000 . 1 . . . . 231 GLU HA . 25694 1 1231 . 2 2 33 33 GLU HB2 H 1 2.057 0.001 . 1 . . . . 231 GLU HB2 . 25694 1 1232 . 2 2 33 33 GLU HB3 H 1 2.057 0.001 . 1 . . . . 231 GLU HB3 . 25694 1 1233 . 2 2 33 33 GLU HG2 H 1 2.291 0.007 . 1 . . . . 231 GLU HG2 . 25694 1 1234 . 2 2 33 33 GLU HG3 H 1 2.291 0.007 . 1 . . . . 231 GLU HG3 . 25694 1 1235 . 2 2 33 33 GLU C C 13 176.666 0.000 . 1 . . . . 231 GLU C . 25694 1 1236 . 2 2 33 33 GLU CA C 13 57.099 0.000 . 1 . . . . 231 GLU CA . 25694 1 1237 . 2 2 33 33 GLU CB C 13 30.529 0.000 . 1 . . . . 231 GLU CB . 25694 1 1238 . 2 2 33 33 GLU CG C 13 36.830 0.000 . 1 . . . . 231 GLU CG . 25694 1 1239 . 2 2 33 33 GLU N N 15 122.701 0.000 . 1 . . . . 231 GLU N . 25694 1 1240 . 2 2 34 34 GLU H H 1 8.597 0.000 . 1 . . . . 232 GLU H . 25694 1 1241 . 2 2 34 34 GLU HA H 1 4.274 0.000 . 1 . . . . 232 GLU HA . 25694 1 1242 . 2 2 34 34 GLU HB2 H 1 1.950 0.000 . 1 . . . . 232 GLU HB2 . 25694 1 1243 . 2 2 34 34 GLU HB3 H 1 1.950 0.000 . 1 . . . . 232 GLU HB3 . 25694 1 1244 . 2 2 34 34 GLU HG2 H 1 2.284 0.000 . 1 . . . . 232 GLU HG2 . 25694 1 1245 . 2 2 34 34 GLU HG3 H 1 2.284 0.000 . 1 . . . . 232 GLU HG3 . 25694 1 1246 . 2 2 34 34 GLU C C 13 176.462 0.000 . 1 . . . . 232 GLU C . 25694 1 1247 . 2 2 34 34 GLU CA C 13 57.282 0.000 . 1 . . . . 232 GLU CA . 25694 1 1248 . 2 2 34 34 GLU CB C 13 30.415 0.000 . 1 . . . . 232 GLU CB . 25694 1 1249 . 2 2 34 34 GLU CG C 13 36.372 0.000 . 1 . . . . 232 GLU CG . 25694 1 1250 . 2 2 34 34 GLU N N 15 122.102 0.000 . 1 . . . . 232 GLU N . 25694 1 1251 . 2 2 35 35 ASN H H 1 8.443 0.000 . 1 . . . . 233 ASN H . 25694 1 1252 . 2 2 35 35 ASN HA H 1 4.685 0.005 . 1 . . . . 233 ASN HA . 25694 1 1253 . 2 2 35 35 ASN HB2 H 1 2.770 0.000 . 1 . . . . 233 ASN HB2 . 25694 1 1254 . 2 2 35 35 ASN HB3 H 1 2.770 0.000 . 1 . . . . 233 ASN HB3 . 25694 1 1255 . 2 2 35 35 ASN C C 13 175.196 0.000 . 1 . . . . 233 ASN C . 25694 1 1256 . 2 2 35 35 ASN CA C 13 53.541 0.058 . 1 . . . . 233 ASN CA . 25694 1 1257 . 2 2 35 35 ASN CB C 13 39.351 0.000 . 1 . . . . 233 ASN CB . 25694 1 1258 . 2 2 35 35 ASN N N 15 119.428 0.000 . 1 . . . . 233 ASN N . 25694 1 1259 . 2 2 36 36 ALA H H 1 8.245 0.000 . 1 . . . . 234 ALA H . 25694 1 1260 . 2 2 36 36 ALA HA H 1 4.255 0.005 . 1 . . . . 234 ALA HA . 25694 1 1261 . 2 2 36 36 ALA HB1 H 1 1.345 0.000 . 1 . . . . 234 ALA QB . 25694 1 1262 . 2 2 36 36 ALA HB2 H 1 1.345 0.000 . 1 . . . . 234 ALA QB . 25694 1 1263 . 2 2 36 36 ALA HB3 H 1 1.345 0.000 . 1 . . . . 234 ALA QB . 25694 1 1264 . 2 2 36 36 ALA C C 13 177.460 0.000 . 1 . . . . 234 ALA C . 25694 1 1265 . 2 2 36 36 ALA CA C 13 53.207 0.000 . 1 . . . . 234 ALA CA . 25694 1 1266 . 2 2 36 36 ALA CB C 13 19.531 0.000 . 1 . . . . 234 ALA CB . 25694 1 1267 . 2 2 36 36 ALA N N 15 124.288 0.000 . 1 . . . . 234 ALA N . 25694 1 1268 . 2 2 37 37 ASN H H 1 8.294 0.000 . 1 . . . . 235 ASN H . 25694 1 1269 . 2 2 37 37 ASN HA H 1 4.656 0.004 . 1 . . . . 235 ASN HA . 25694 1 1270 . 2 2 37 37 ASN HB2 H 1 2.767 0.000 . 2 . . . . 235 ASN HB2 . 25694 1 1271 . 2 2 37 37 ASN HB3 H 1 2.683 0.000 . 2 . . . . 235 ASN HB3 . 25694 1 1272 . 2 2 37 37 ASN HD21 H 1 7.570 0.000 . 2 . . . . 235 ASN HD21 . 25694 1 1273 . 2 2 37 37 ASN HD22 H 1 6.915 0.000 . 2 . . . . 235 ASN HD22 . 25694 1 1274 . 2 2 37 37 ASN C C 13 175.055 0.000 . 1 . . . . 235 ASN C . 25694 1 1275 . 2 2 37 37 ASN CA C 13 53.622 0.000 . 1 . . . . 235 ASN CA . 25694 1 1276 . 2 2 37 37 ASN CB C 13 39.236 0.000 . 1 . . . . 235 ASN CB . 25694 1 1277 . 2 2 37 37 ASN N N 15 116.895 0.000 . 1 . . . . 235 ASN N . 25694 1 1278 . 2 2 38 38 PHE H H 1 8.048 0.000 . 1 . . . . 236 PHE H . 25694 1 1279 . 2 2 38 38 PHE HA H 1 4.626 0.000 . 1 . . . . 236 PHE HA . 25694 1 1280 . 2 2 38 38 PHE HB2 H 1 3.195 0.000 . 2 . . . . 236 PHE HB2 . 25694 1 1281 . 2 2 38 38 PHE HB3 H 1 3.040 0.000 . 2 . . . . 236 PHE HB3 . 25694 1 1282 . 2 2 38 38 PHE HD1 H 1 7.253 0.000 . 1 . . . . 236 PHE HD1 . 25694 1 1283 . 2 2 38 38 PHE HD2 H 1 7.253 0.000 . 1 . . . . 236 PHE HD2 . 25694 1 1284 . 2 2 38 38 PHE HE1 H 1 7.376 0.000 . 1 . . . . 236 PHE HE1 . 25694 1 1285 . 2 2 38 38 PHE HE2 H 1 7.376 0.000 . 1 . . . . 236 PHE HE2 . 25694 1 1286 . 2 2 38 38 PHE C C 13 175.487 0.000 . 1 . . . . 236 PHE C . 25694 1 1287 . 2 2 38 38 PHE CA C 13 58.075 0.000 . 1 . . . . 236 PHE CA . 25694 1 1288 . 2 2 38 38 PHE CB C 13 39.580 0.000 . 1 . . . . 236 PHE CB . 25694 1 1289 . 2 2 38 38 PHE CD1 C 13 131.789 0.000 . 1 . . . . 236 PHE CD1 . 25694 1 1290 . 2 2 38 38 PHE CE1 C 13 131.789 0.000 . 1 . . . . 236 PHE CE1 . 25694 1 1291 . 2 2 38 38 PHE N N 15 120.124 0.000 . 1 . . . . 236 PHE N . 25694 1 1292 . 2 2 39 39 ASN H H 1 8.319 0.000 . 1 . . . . 237 ASN H . 25694 1 1293 . 2 2 39 39 ASN HA H 1 4.706 0.000 . 1 . . . . 237 ASN HA . 25694 1 1294 . 2 2 39 39 ASN HB2 H 1 2.840 0.000 . 2 . . . . 237 ASN HB2 . 25694 1 1295 . 2 2 39 39 ASN HB3 H 1 2.710 0.000 . 2 . . . . 237 ASN HB3 . 25694 1 1296 . 2 2 39 39 ASN C C 13 173.978 0.000 . 1 . . . . 237 ASN C . 25694 1 1297 . 2 2 39 39 ASN CA C 13 53.622 0.000 . 1 . . . . 237 ASN CA . 25694 1 1298 . 2 2 39 39 ASN CB C 13 39.279 0.000 . 1 . . . . 237 ASN CB . 25694 1 1299 . 2 2 39 39 ASN N N 15 120.389 0.000 . 1 . . . . 237 ASN N . 25694 1 1300 . 2 2 40 40 LYS H H 1 7.775 0.000 . 1 . . . . 238 LYS H . 25694 1 1301 . 2 2 40 40 LYS HA H 1 4.148 0.000 . 1 . . . . 238 LYS HA . 25694 1 1302 . 2 2 40 40 LYS HB2 H 1 1.829 0.000 . 2 . . . . 238 LYS HB2 . 25694 1 1303 . 2 2 40 40 LYS HB3 H 1 1.713 0.000 . 2 . . . . 238 LYS HB3 . 25694 1 1304 . 2 2 40 40 LYS HG2 H 1 1.388 0.000 . 1 . . . . 238 LYS HG2 . 25694 1 1305 . 2 2 40 40 LYS HG3 H 1 1.388 0.000 . 1 . . . . 238 LYS HG3 . 25694 1 1306 . 2 2 40 40 LYS HD2 H 1 1.664 0.000 . 1 . . . . 238 LYS HD2 . 25694 1 1307 . 2 2 40 40 LYS HD3 H 1 1.664 0.000 . 1 . . . . 238 LYS HD3 . 25694 1 1308 . 2 2 40 40 LYS HE2 H 1 2.983 0.000 . 1 . . . . 238 LYS HE2 . 25694 1 1309 . 2 2 40 40 LYS HE3 H 1 2.983 0.000 . 1 . . . . 238 LYS HE3 . 25694 1 1310 . 2 2 40 40 LYS CA C 13 58.028 0.000 . 1 . . . . 238 LYS CA . 25694 1 1311 . 2 2 40 40 LYS CB C 13 33.779 0.000 . 1 . . . . 238 LYS CB . 25694 1 1312 . 2 2 40 40 LYS CG C 13 25.025 0.000 . 1 . . . . 238 LYS CG . 25694 1 1313 . 2 2 40 40 LYS CD C 13 29.231 0.000 . 1 . . . . 238 LYS CD . 25694 1 1314 . 2 2 40 40 LYS CE C 13 42.497 0.000 . 1 . . . . 238 LYS CE . 25694 1 1315 . 2 2 40 40 LYS N N 15 126.311 0.000 . 1 . . . . 238 LYS N . 25694 1 stop_ save_