data_25142 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25142 _Entry.Title ; Solution structure of Hox homeodomain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-08-11 _Entry.Accession_date 2014-08-11 _Entry.Last_release_date 2015-09-14 _Entry.Original_release_date 2015-09-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _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.Entry_ID 1 Hyun-Hwi Kim . . . 25142 2 'Sung Jean' Park . . . 25142 3 Jung-Hwa Han . . . 25142 4 Bong-Jin Lee . . . 25142 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' . 25142 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID homeodomain . 25142 'transcription factor' . 25142 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25142 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 285 25142 '15N chemical shifts' 71 25142 '1H chemical shifts' 417 25142 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-09-14 . original BMRB . 25142 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MSY 'BMRB Entry Tracking System' 25142 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25142 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25707357 _Citation.Full_citation . _Citation.Title ; Structural insight into the interaction between the Hox and HMGB1 and understanding of the HMGB1-enhancing effect of Hox-DNA binding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full . _Citation.Journal_volume 1854 _Citation.Journal_issue 5 _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 449 _Citation.Page_last 459 _Citation.Year 2015 _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.Entry_ID _Citation_author.Citation_ID 1 Hyun-Hwi Kim . . . 25142 1 2 'Sung Jean' Park . . . 25142 1 3 Jung-Hwa Han . . . 25142 1 4 Chinar Pathak . . . 25142 1 5 Hae-Kap Cheong . . . 25142 1 6 Bong-Jin Lee . . . 25142 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25142 _Assembly.ID 1 _Assembly.Name 'Hox homeodomain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Hox homeodomain' 1 $entity A . yes native no no . . . 25142 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25142 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; ANWIHARSTRKKRCPYTKYQ TLELEKEFLFNMYLTRDRRY EVARVLNLTERQVKIWFQNR RMKMKKMN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8677.323 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17407 . entity_1 . . . . . 88.24 60 100.00 100.00 9.06e-34 . . . . 25142 1 2 no PDB 2LP0 . "The Solution Structure Of Homeodomain-Protein Complex" . . . . . 88.24 60 100.00 100.00 9.06e-34 . . . . 25142 1 3 no PDB 2MSY . "Solution Structure Of Hox Homeodomain" . . . . . 100.00 68 100.00 100.00 8.26e-41 . . . . 25142 1 4 no DBJ BAA86253 . "HOXC9A [Oryzias latipes]" . . . . . 100.00 262 100.00 100.00 1.58e-40 . . . . 25142 1 5 no DBJ BAB28077 . "unnamed protein product [Mus musculus]" . . . . . 100.00 260 100.00 100.00 8.71e-42 . . . . 25142 1 6 no DBJ BAC37378 . "unnamed protein product [Mus musculus]" . . . . . 100.00 260 100.00 100.00 8.71e-42 . . . . 25142 1 7 no DBJ BAE22140 . "unnamed protein product [Mus musculus]" . . . . . 100.00 339 97.06 100.00 3.82e-42 . . . . 25142 1 8 no DBJ BAE26045 . "unnamed protein product [Mus musculus]" . . . . . 100.00 151 97.06 100.00 1.09e-41 . . . . 25142 1 9 no EMBL CAA30487 . "unnamed protein product [Mus musculus]" . . . . . 95.59 74 100.00 100.00 2.56e-38 . . . . 25142 1 10 no EMBL CAA33528 . "Hox5.2 gene product (79 AA) [Homo sapiens]" . . . . . 100.00 79 97.06 100.00 5.79e-40 . . . . 25142 1 11 no EMBL CAA39026 . "Hox-3.2 [Mus musculus]" . . . . . 100.00 260 100.00 100.00 8.71e-42 . . . . 25142 1 12 no EMBL CAA42016 . "homeobox protein [Homo sapiens]" . . . . . 100.00 342 97.06 100.00 4.05e-42 . . . . 25142 1 13 no EMBL CAA44542 . "Hox-4.4 [Mus musculus]" . . . . . 100.00 339 97.06 100.00 3.82e-42 . . . . 25142 1 14 no GB AAA37856 . "Hox-3.2 protein, partial [Mus musculus]" . . . . . 95.59 74 100.00 100.00 2.56e-38 . . . . 25142 1 15 no GB AAB04756 . "Hoxc-9, partial [Ovis aries]" . . . . . 100.00 96 100.00 100.00 2.05e-41 . . . . 25142 1 16 no GB AAB68680 . "homeobox protein HOXC-9 [Takifugu rubripes]" . . . . . 100.00 261 98.53 100.00 3.21e-39 . . . . 25142 1 17 no GB AAD15960 . "homeobox protein [Danio rerio]" . . . . . 100.00 260 100.00 100.00 5.07e-39 . . . . 25142 1 18 no GB AAD15961 . "homeobox protein [Danio rerio]" . . . . . 100.00 262 97.06 100.00 4.89e-38 . . . . 25142 1 19 no PIR C45187 . "homeotic protein Ghox 4.7 - chicken (fragment) [Gallus gallus]" . . . . . 54.41 37 97.30 100.00 1.21e-15 . . . . 25142 1 20 no PIR D45187 . "homeotic protein Ghox 4.7 - chicken (fragment) [Gallus gallus]" . . . . . 54.41 37 100.00 100.00 3.72e-16 . . . . 25142 1 21 no REF NP_001017256 . "homeobox C9 [Xenopus (Silurana) tropicalis]" . . . . . 100.00 100 100.00 100.00 2.79e-41 . . . . 25142 1 22 no REF NP_001094377 . "homeobox protein Hox-C9 [Rattus norvegicus]" . . . . . 100.00 260 100.00 100.00 8.71e-42 . . . . 25142 1 23 no REF NP_001132998 . "homeobox protein HoxC9aa [Salmo salar]" . . . . . 100.00 262 97.06 100.00 1.60e-38 . . . . 25142 1 24 no REF NP_001133005 . "homeobox protein HoxC9ab [Salmo salar]" . . . . . 100.00 262 98.53 100.00 4.45e-40 . . . . 25142 1 25 no REF NP_001133012 . "homeobox protein HoxC9ba [Salmo salar]" . . . . . 100.00 261 98.53 98.53 1.16e-39 . . . . 25142 1 26 no SP B5DFK3 . "RecName: Full=Homeobox protein Hox-D9" . . . . . 100.00 343 97.06 100.00 4.14e-42 . . . . 25142 1 27 no SP O42502 . "RecName: Full=Homeobox protein Hox-C9a; AltName: Full=FrHOXC-9" . . . . . 100.00 261 98.53 100.00 3.21e-39 . . . . 25142 1 28 no SP P09633 . "RecName: Full=Homeobox protein Hox-C9; AltName: Full=Homeobox protein Hox-3.2" . . . . . 100.00 260 100.00 100.00 8.71e-42 . . . . 25142 1 29 no SP P28356 . "RecName: Full=Homeobox protein Hox-D9; AltName: Full=Homeobox protein Hox-4C; AltName: Full=Homeobox protein Hox-5.2" . . . . . 100.00 352 97.06 100.00 4.94e-42 . . . . 25142 1 30 no SP P28357 . "RecName: Full=Homeobox protein Hox-D9; AltName: Full=Homeobox protein Hox-4.4; AltName: Full=Homeobox protein Hox-5.2" . . . . . 100.00 339 97.06 100.00 3.82e-42 . . . . 25142 1 31 no TPG DAA30041 . "TPA: homeobox C9-like [Bos taurus]" . . . . . 100.00 260 100.00 100.00 8.71e-42 . . . . 25142 1 32 no TPG DAA32777 . "TPA: homeobox D9-like [Bos taurus]" . . . . . 100.00 484 97.06 100.00 3.51e-41 . . . . 25142 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ALA . 25142 1 2 2 ASN . 25142 1 3 3 TRP . 25142 1 4 4 ILE . 25142 1 5 5 HIS . 25142 1 6 6 ALA . 25142 1 7 7 ARG . 25142 1 8 8 SER . 25142 1 9 9 THR . 25142 1 10 10 ARG . 25142 1 11 11 LYS . 25142 1 12 12 LYS . 25142 1 13 13 ARG . 25142 1 14 14 CYS . 25142 1 15 15 PRO . 25142 1 16 16 TYR . 25142 1 17 17 THR . 25142 1 18 18 LYS . 25142 1 19 19 TYR . 25142 1 20 20 GLN . 25142 1 21 21 THR . 25142 1 22 22 LEU . 25142 1 23 23 GLU . 25142 1 24 24 LEU . 25142 1 25 25 GLU . 25142 1 26 26 LYS . 25142 1 27 27 GLU . 25142 1 28 28 PHE . 25142 1 29 29 LEU . 25142 1 30 30 PHE . 25142 1 31 31 ASN . 25142 1 32 32 MET . 25142 1 33 33 TYR . 25142 1 34 34 LEU . 25142 1 35 35 THR . 25142 1 36 36 ARG . 25142 1 37 37 ASP . 25142 1 38 38 ARG . 25142 1 39 39 ARG . 25142 1 40 40 TYR . 25142 1 41 41 GLU . 25142 1 42 42 VAL . 25142 1 43 43 ALA . 25142 1 44 44 ARG . 25142 1 45 45 VAL . 25142 1 46 46 LEU . 25142 1 47 47 ASN . 25142 1 48 48 LEU . 25142 1 49 49 THR . 25142 1 50 50 GLU . 25142 1 51 51 ARG . 25142 1 52 52 GLN . 25142 1 53 53 VAL . 25142 1 54 54 LYS . 25142 1 55 55 ILE . 25142 1 56 56 TRP . 25142 1 57 57 PHE . 25142 1 58 58 GLN . 25142 1 59 59 ASN . 25142 1 60 60 ARG . 25142 1 61 61 ARG . 25142 1 62 62 MET . 25142 1 63 63 LYS . 25142 1 64 64 MET . 25142 1 65 65 LYS . 25142 1 66 66 LYS . 25142 1 67 67 MET . 25142 1 68 68 ASN . 25142 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 . ALA 1 1 25142 1 . ASN 2 2 25142 1 . TRP 3 3 25142 1 . ILE 4 4 25142 1 . HIS 5 5 25142 1 . ALA 6 6 25142 1 . ARG 7 7 25142 1 . SER 8 8 25142 1 . THR 9 9 25142 1 . ARG 10 10 25142 1 . LYS 11 11 25142 1 . LYS 12 12 25142 1 . ARG 13 13 25142 1 . CYS 14 14 25142 1 . PRO 15 15 25142 1 . TYR 16 16 25142 1 . THR 17 17 25142 1 . LYS 18 18 25142 1 . TYR 19 19 25142 1 . GLN 20 20 25142 1 . THR 21 21 25142 1 . LEU 22 22 25142 1 . GLU 23 23 25142 1 . LEU 24 24 25142 1 . GLU 25 25 25142 1 . LYS 26 26 25142 1 . GLU 27 27 25142 1 . PHE 28 28 25142 1 . LEU 29 29 25142 1 . PHE 30 30 25142 1 . ASN 31 31 25142 1 . MET 32 32 25142 1 . TYR 33 33 25142 1 . LEU 34 34 25142 1 . THR 35 35 25142 1 . ARG 36 36 25142 1 . ASP 37 37 25142 1 . ARG 38 38 25142 1 . ARG 39 39 25142 1 . TYR 40 40 25142 1 . GLU 41 41 25142 1 . VAL 42 42 25142 1 . ALA 43 43 25142 1 . ARG 44 44 25142 1 . VAL 45 45 25142 1 . LEU 46 46 25142 1 . ASN 47 47 25142 1 . LEU 48 48 25142 1 . THR 49 49 25142 1 . GLU 50 50 25142 1 . ARG 51 51 25142 1 . GLN 52 52 25142 1 . VAL 53 53 25142 1 . LYS 54 54 25142 1 . ILE 55 55 25142 1 . TRP 56 56 25142 1 . PHE 57 57 25142 1 . GLN 58 58 25142 1 . ASN 59 59 25142 1 . ARG 60 60 25142 1 . ARG 61 61 25142 1 . MET 62 62 25142 1 . LYS 63 63 25142 1 . MET 64 64 25142 1 . LYS 65 65 25142 1 . LYS 66 66 25142 1 . MET 67 67 25142 1 . ASN 68 68 25142 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25142 _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 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25142 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 25142 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pET28a (+)' . . . 25142 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25142 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MES '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 25142 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25142 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25142 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25142 _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' 0.05 . M 25142 1 pH 6.5 . pH 25142 1 pressure 1 . atm 25142 1 temperature 298 . K 25142 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25142 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25142 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25142 1 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 25142 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25142 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25142 _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 . 900 . . . 25142 1 2 spectrometer_2 Bruker DRX . 800 . . . 25142 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 25142 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25142 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25142 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25142 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25142 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25142 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25142 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25142 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25142 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25142 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 25142 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . 25142 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 25142 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 25142 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 25142 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25142 1 4 '3D CBCA(CO)NH' . . . 25142 1 5 '3D HNCA' . . . 25142 1 6 '3D HNCO' . . . 25142 1 8 '3D 1H-15N TOCSY' . . . 25142 1 9 '3D HBHA(CO)NH' . . . 25142 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 ALA HA H 1 4.132 0.000 . . . . . A 1 ALA HA . 25142 1 2 . 1 1 1 1 ALA C C 13 176.549 0.000 . . . . . A 1 ALA C . 25142 1 3 . 1 1 1 1 ALA CA C 13 53.821 0.000 . . . . . A 1 ALA CA . 25142 1 4 . 1 1 1 1 ALA CB C 13 19.533 0.000 . . . . . A 1 ALA CB . 25142 1 5 . 1 1 1 1 ALA N N 15 126.251 0.000 . . . . . A 1 ALA N . 25142 1 6 . 1 1 2 2 ASN H H 1 7.926 0.000 . . . . . A 2 ASN H . 25142 1 7 . 1 1 2 2 ASN HA H 1 4.137 0.000 . . . . . A 2 ASN HA . 25142 1 8 . 1 1 2 2 ASN HB2 H 1 2.716 0.000 . . . . . A 2 ASN HB2 . 25142 1 9 . 1 1 2 2 ASN C C 13 170.976 0.000 . . . . . A 2 ASN C . 25142 1 10 . 1 1 2 2 ASN CA C 13 53.812 0.000 . . . . . A 2 ASN CA . 25142 1 11 . 1 1 2 2 ASN CB C 13 38.888 0.000 . . . . . A 2 ASN CB . 25142 1 12 . 1 1 2 2 ASN N N 15 125.670 0.000 . . . . . A 2 ASN N . 25142 1 13 . 1 1 3 3 TRP H H 1 7.920 0.000 . . . . . A 3 TRP H . 25142 1 14 . 1 1 3 3 TRP HA H 1 4.762 0.000 . . . . . A 3 TRP HA . 25142 1 15 . 1 1 3 3 TRP HB2 H 1 3.223 0.000 . . . . . A 3 TRP HB2 . 25142 1 16 . 1 1 3 3 TRP C C 13 176.062 0.000 . . . . . A 3 TRP C . 25142 1 17 . 1 1 3 3 TRP CA C 13 57.970 0.000 . . . . . A 3 TRP CA . 25142 1 18 . 1 1 3 3 TRP CB C 13 29.629 0.000 . . . . . A 3 TRP CB . 25142 1 19 . 1 1 3 3 TRP N N 15 122.562 0.000 . . . . . A 3 TRP N . 25142 1 20 . 1 1 4 4 ILE H H 1 7.893 0.000 . . . . . A 4 ILE H . 25142 1 21 . 1 1 4 4 ILE HA H 1 4.171 0.000 . . . . . A 4 ILE HA . 25142 1 22 . 1 1 4 4 ILE HB H 1 1.666 0.000 . . . . . A 4 ILE HB . 25142 1 23 . 1 1 4 4 ILE HG12 H 1 1.187 0.000 . . . . . A 4 ILE HG12 . 25142 1 24 . 1 1 4 4 ILE HG21 H 1 0.683 0.000 . . . . . A 4 ILE HG21 . 25142 1 25 . 1 1 4 4 ILE HG22 H 1 0.683 0.000 . . . . . A 4 ILE HG22 . 25142 1 26 . 1 1 4 4 ILE HG23 H 1 0.683 0.000 . . . . . A 4 ILE HG23 . 25142 1 27 . 1 1 4 4 ILE C C 13 175.825 0.000 . . . . . A 4 ILE C . 25142 1 28 . 1 1 4 4 ILE CA C 13 61.409 0.000 . . . . . A 4 ILE CA . 25142 1 29 . 1 1 4 4 ILE CB C 13 38.645 0.000 . . . . . A 4 ILE CB . 25142 1 30 . 1 1 4 4 ILE CG1 C 13 27.262 0.000 . . . . . A 4 ILE CG1 . 25142 1 31 . 1 1 4 4 ILE CG2 C 13 17.285 0.000 . . . . . A 4 ILE CG2 . 25142 1 32 . 1 1 4 4 ILE N N 15 122.339 0.000 . . . . . A 4 ILE N . 25142 1 33 . 1 1 5 5 HIS H H 1 8.015 0.000 . . . . . A 5 HIS H . 25142 1 34 . 1 1 5 5 HIS HA H 1 4.528 0.000 . . . . . A 5 HIS HA . 25142 1 35 . 1 1 5 5 HIS HB2 H 1 3.098 0.000 . . . . . A 5 HIS HB2 . 25142 1 36 . 1 1 5 5 HIS HB3 H 1 2.959 0.000 . . . . . A 5 HIS HB3 . 25142 1 37 . 1 1 5 5 HIS C C 13 175.039 0.000 . . . . . A 5 HIS C . 25142 1 38 . 1 1 5 5 HIS CA C 13 56.069 0.000 . . . . . A 5 HIS CA . 25142 1 39 . 1 1 5 5 HIS CB C 13 30.634 0.000 . . . . . A 5 HIS CB . 25142 1 40 . 1 1 5 5 HIS N N 15 122.699 0.000 . . . . . A 5 HIS N . 25142 1 41 . 1 1 6 6 ALA H H 1 8.183 0.000 . . . . . A 6 ALA H . 25142 1 42 . 1 1 6 6 ALA HA H 1 4.268 0.000 . . . . . A 6 ALA HA . 25142 1 43 . 1 1 6 6 ALA C C 13 177.735 0.000 . . . . . A 6 ALA C . 25142 1 44 . 1 1 6 6 ALA CA C 13 52.697 0.000 . . . . . A 6 ALA CA . 25142 1 45 . 1 1 6 6 ALA CB C 13 19.253 0.000 . . . . . A 6 ALA CB . 25142 1 46 . 1 1 6 6 ALA N N 15 125.335 0.000 . . . . . A 6 ALA N . 25142 1 47 . 1 1 7 7 ARG H H 1 8.399 0.000 . . . . . A 7 ARG H . 25142 1 48 . 1 1 7 7 ARG HA H 1 4.291 0.000 . . . . . A 7 ARG HA . 25142 1 49 . 1 1 7 7 ARG HB2 H 1 1.753 0.000 . . . . . A 7 ARG HB2 . 25142 1 50 . 1 1 7 7 ARG HD2 H 1 3.161 0.000 . . . . . A 7 ARG HD2 . 25142 1 51 . 1 1 7 7 ARG C C 13 176.556 0.000 . . . . . A 7 ARG C . 25142 1 52 . 1 1 7 7 ARG CA C 13 56.226 0.000 . . . . . A 7 ARG CA . 25142 1 53 . 1 1 7 7 ARG CB C 13 30.933 0.000 . . . . . A 7 ARG CB . 25142 1 54 . 1 1 7 7 ARG N N 15 120.137 0.000 . . . . . A 7 ARG N . 25142 1 55 . 1 1 9 9 THR H H 1 8.081 0.000 . . . . . A 9 THR H . 25142 1 56 . 1 1 9 9 THR HA H 1 4.311 0.000 . . . . . A 9 THR HA . 25142 1 57 . 1 1 9 9 THR HB H 1 4.220 0.000 . . . . . A 9 THR HB . 25142 1 58 . 1 1 9 9 THR HG21 H 1 1.156 0.000 . . . . . A 9 THR HG21 . 25142 1 59 . 1 1 9 9 THR HG22 H 1 1.156 0.000 . . . . . A 9 THR HG22 . 25142 1 60 . 1 1 9 9 THR HG23 H 1 1.156 0.000 . . . . . A 9 THR HG23 . 25142 1 61 . 1 1 9 9 THR C C 13 174.493 0.000 . . . . . A 9 THR C . 25142 1 62 . 1 1 9 9 THR CA C 13 61.970 0.000 . . . . . A 9 THR CA . 25142 1 63 . 1 1 9 9 THR CB C 13 69.840 0.000 . . . . . A 9 THR CB . 25142 1 64 . 1 1 9 9 THR CG2 C 13 21.782 0.000 . . . . . A 9 THR CG2 . 25142 1 65 . 1 1 9 9 THR N N 15 115.696 0.000 . . . . . A 9 THR N . 25142 1 66 . 1 1 10 10 ARG H H 1 8.275 0.000 . . . . . A 10 ARG H . 25142 1 67 . 1 1 10 10 ARG HA H 1 4.313 0.000 . . . . . A 10 ARG HA . 25142 1 68 . 1 1 10 10 ARG HB2 H 1 1.778 0.000 . . . . . A 10 ARG HB2 . 25142 1 69 . 1 1 10 10 ARG HB3 H 1 1.778 0.000 . . . . . A 10 ARG HB3 . 25142 1 70 . 1 1 10 10 ARG HG2 H 1 1.627 0.000 . . . . . A 10 ARG HG2 . 25142 1 71 . 1 1 10 10 ARG HG3 H 1 1.627 0.000 . . . . . A 10 ARG HG3 . 25142 1 72 . 1 1 10 10 ARG HD2 H 1 3.171 0.000 . . . . . A 10 ARG HD2 . 25142 1 73 . 1 1 10 10 ARG HD3 H 1 3.171 0.000 . . . . . A 10 ARG HD3 . 25142 1 74 . 1 1 10 10 ARG C C 13 176.173 0.000 . . . . . A 10 ARG C . 25142 1 75 . 1 1 10 10 ARG CA C 13 56.227 0.000 . . . . . A 10 ARG CA . 25142 1 76 . 1 1 10 10 ARG CB C 13 30.933 0.000 . . . . . A 10 ARG CB . 25142 1 77 . 1 1 10 10 ARG CG C 13 27.201 0.000 . . . . . A 10 ARG CG . 25142 1 78 . 1 1 10 10 ARG CD C 13 43.475 0.000 . . . . . A 10 ARG CD . 25142 1 79 . 1 1 10 10 ARG N N 15 123.599 0.000 . . . . . A 10 ARG N . 25142 1 80 . 1 1 11 11 LYS H H 1 8.334 0.000 . . . . . A 11 LYS H . 25142 1 81 . 1 1 11 11 LYS HA H 1 4.298 0.000 . . . . . A 11 LYS HA . 25142 1 82 . 1 1 11 11 LYS HB2 H 1 1.748 0.000 . . . . . A 11 LYS HB2 . 25142 1 83 . 1 1 11 11 LYS CA C 13 56.648 0.000 . . . . . A 11 LYS CA . 25142 1 84 . 1 1 11 11 LYS CB C 13 33.181 0.000 . . . . . A 11 LYS CB . 25142 1 85 . 1 1 11 11 LYS N N 15 123.132 0.000 . . . . . A 11 LYS N . 25142 1 86 . 1 1 12 12 LYS H H 1 8.357 0.000 . . . . . A 12 LYS H . 25142 1 87 . 1 1 12 12 LYS HA H 1 4.254 0.000 . . . . . A 12 LYS HA . 25142 1 88 . 1 1 12 12 LYS HB2 H 1 1.731 0.000 . . . . . A 12 LYS HB2 . 25142 1 89 . 1 1 12 12 LYS HG2 H 1 1.460 0.000 . . . . . A 12 LYS HG2 . 25142 1 90 . 1 1 12 12 LYS HD2 H 1 1.685 0.000 . . . . . A 12 LYS HD2 . 25142 1 91 . 1 1 12 12 LYS HE2 H 1 2.811 0.000 . . . . . A 12 LYS HE2 . 25142 1 92 . 1 1 12 12 LYS C C 13 176.124 0.000 . . . . . A 12 LYS C . 25142 1 93 . 1 1 12 12 LYS CA C 13 56.631 0.000 . . . . . A 12 LYS CA . 25142 1 94 . 1 1 12 12 LYS CB C 13 33.164 0.000 . . . . . A 12 LYS CB . 25142 1 95 . 1 1 12 12 LYS CG C 13 24.874 0.000 . . . . . A 12 LYS CG . 25142 1 96 . 1 1 12 12 LYS CD C 13 29.230 0.000 . . . . . A 12 LYS CD . 25142 1 97 . 1 1 12 12 LYS CE C 13 42.017 0.000 . . . . . A 12 LYS CE . 25142 1 98 . 1 1 12 12 LYS N N 15 123.229 0.000 . . . . . A 12 LYS N . 25142 1 99 . 1 1 13 13 ARG H H 1 8.439 0.000 . . . . . A 13 ARG H . 25142 1 100 . 1 1 13 13 ARG HA H 1 4.317 0.000 . . . . . A 13 ARG HA . 25142 1 101 . 1 1 13 13 ARG HB2 H 1 1.787 0.000 . . . . . A 13 ARG HB2 . 25142 1 102 . 1 1 13 13 ARG HB3 H 1 1.787 0.000 . . . . . A 13 ARG HB3 . 25142 1 103 . 1 1 13 13 ARG HG2 H 1 3.145 0.000 . . . . . A 13 ARG HG2 . 25142 1 104 . 1 1 13 13 ARG HD2 H 1 1.617 0.000 . . . . . A 13 ARG HD2 . 25142 1 105 . 1 1 13 13 ARG C C 13 175.831 0.000 . . . . . A 13 ARG C . 25142 1 106 . 1 1 13 13 ARG CA C 13 56.210 0.000 . . . . . A 13 ARG CA . 25142 1 107 . 1 1 13 13 ARG CB C 13 30.073 0.000 . . . . . A 13 ARG CB . 25142 1 108 . 1 1 13 13 ARG CG C 13 43.422 0.000 . . . . . A 13 ARG CG . 25142 1 109 . 1 1 13 13 ARG CD C 13 27.121 0.000 . . . . . A 13 ARG CD . 25142 1 110 . 1 1 13 13 ARG N N 15 123.166 0.000 . . . . . A 13 ARG N . 25142 1 111 . 1 1 14 14 CYS H H 1 8.542 0.000 . . . . . A 14 CYS H . 25142 1 112 . 1 1 14 14 CYS HA H 1 4.614 0.000 . . . . . A 14 CYS HA . 25142 1 113 . 1 1 14 14 CYS CA C 13 56.771 0.000 . . . . . A 14 CYS CA . 25142 1 114 . 1 1 14 14 CYS N N 15 123.412 0.000 . . . . . A 14 CYS N . 25142 1 115 . 1 1 15 15 PRO HA H 1 4.333 0.000 . . . . . A 15 PRO HA . 25142 1 116 . 1 1 15 15 PRO HB2 H 1 2.154 0.000 . . . . . A 15 PRO HB2 . 25142 1 117 . 1 1 15 15 PRO HB3 H 1 1.630 0.000 . . . . . A 15 PRO HB3 . 25142 1 118 . 1 1 15 15 PRO HG2 H 1 1.946 0.000 . . . . . A 15 PRO HG2 . 25142 1 119 . 1 1 15 15 PRO HD2 H 1 3.807 0.000 . . . . . A 15 PRO HD2 . 25142 1 120 . 1 1 15 15 PRO HD3 H 1 3.747 0.000 . . . . . A 15 PRO HD3 . 25142 1 121 . 1 1 15 15 PRO C C 13 175.713 0.000 . . . . . A 15 PRO C . 25142 1 122 . 1 1 15 15 PRO CA C 13 63.798 0.000 . . . . . A 15 PRO CA . 25142 1 123 . 1 1 15 15 PRO CB C 13 32.040 0.000 . . . . . A 15 PRO CB . 25142 1 124 . 1 1 15 15 PRO CG C 13 26.700 0.000 . . . . . A 15 PRO CG . 25142 1 125 . 1 1 15 15 PRO CD C 13 51.010 0.000 . . . . . A 15 PRO CD . 25142 1 126 . 1 1 16 16 TYR H H 1 7.539 0.000 . . . . . A 16 TYR H . 25142 1 127 . 1 1 16 16 TYR HA H 1 4.925 0.000 . . . . . A 16 TYR HA . 25142 1 128 . 1 1 16 16 TYR HB2 H 1 2.742 0.000 . . . . . A 16 TYR HB2 . 25142 1 129 . 1 1 16 16 TYR HB3 H 1 3.034 0.000 . . . . . A 16 TYR HB3 . 25142 1 130 . 1 1 16 16 TYR HD1 H 1 7.043 0.000 . . . . . A 16 TYR HD1 . 25142 1 131 . 1 1 16 16 TYR HD2 H 1 7.043 0.000 . . . . . A 16 TYR HD2 . 25142 1 132 . 1 1 16 16 TYR HE1 H 1 6.788 0.000 . . . . . A 16 TYR HE1 . 25142 1 133 . 1 1 16 16 TYR HE2 H 1 6.788 0.000 . . . . . A 16 TYR HE2 . 25142 1 134 . 1 1 16 16 TYR C C 13 176.803 0.000 . . . . . A 16 TYR C . 25142 1 135 . 1 1 16 16 TYR CA C 13 56.583 0.000 . . . . . A 16 TYR CA . 25142 1 136 . 1 1 16 16 TYR CB C 13 40.045 0.000 . . . . . A 16 TYR CB . 25142 1 137 . 1 1 16 16 TYR N N 15 116.961 0.000 . . . . . A 16 TYR N . 25142 1 138 . 1 1 17 17 THR H H 1 9.305 0.000 . . . . . A 17 THR H . 25142 1 139 . 1 1 17 17 THR HA H 1 4.469 0.000 . . . . . A 17 THR HA . 25142 1 140 . 1 1 17 17 THR HB H 1 4.845 0.000 . . . . . A 17 THR HB . 25142 1 141 . 1 1 17 17 THR HG21 H 1 1.373 0.000 . . . . . A 17 THR HG21 . 25142 1 142 . 1 1 17 17 THR HG22 H 1 1.373 0.000 . . . . . A 17 THR HG22 . 25142 1 143 . 1 1 17 17 THR HG23 H 1 1.373 0.000 . . . . . A 17 THR HG23 . 25142 1 144 . 1 1 17 17 THR C C 13 175.593 0.000 . . . . . A 17 THR C . 25142 1 145 . 1 1 17 17 THR CA C 13 60.987 0.000 . . . . . A 17 THR CA . 25142 1 146 . 1 1 17 17 THR CB C 13 71.240 0.000 . . . . . A 17 THR CB . 25142 1 147 . 1 1 17 17 THR CG2 C 13 21.923 0.000 . . . . . A 17 THR CG2 . 25142 1 148 . 1 1 17 17 THR N N 15 115.107 0.000 . . . . . A 17 THR N . 25142 1 149 . 1 1 18 18 LYS H H 1 8.990 0.000 . . . . . A 18 LYS H . 25142 1 150 . 1 1 18 18 LYS HA H 1 4.091 0.000 . . . . . A 18 LYS HA . 25142 1 151 . 1 1 18 18 LYS HB2 H 1 1.923 0.000 . . . . . A 18 LYS HB2 . 25142 1 152 . 1 1 18 18 LYS HB3 H 1 1.923 0.000 . . . . . A 18 LYS HB3 . 25142 1 153 . 1 1 18 18 LYS HG2 H 1 1.315 0.000 . . . . . A 18 LYS HG2 . 25142 1 154 . 1 1 18 18 LYS HD2 H 1 1.685 0.000 . . . . . A 18 LYS HD2 . 25142 1 155 . 1 1 18 18 LYS C C 13 178.363 0.000 . . . . . A 18 LYS C . 25142 1 156 . 1 1 18 18 LYS CA C 13 60.004 0.000 . . . . . A 18 LYS CA . 25142 1 157 . 1 1 18 18 LYS CB C 13 32.040 0.000 . . . . . A 18 LYS CB . 25142 1 158 . 1 1 18 18 LYS CG C 13 27.824 0.000 . . . . . A 18 LYS CG . 25142 1 159 . 1 1 18 18 LYS CD C 13 29.229 0.000 . . . . . A 18 LYS CD . 25142 1 160 . 1 1 18 18 LYS N N 15 123.297 0.000 . . . . . A 18 LYS N . 25142 1 161 . 1 1 19 19 TYR H H 1 8.334 0.000 . . . . . A 19 TYR H . 25142 1 162 . 1 1 19 19 TYR HA H 1 4.171 0.000 . . . . . A 19 TYR HA . 25142 1 163 . 1 1 19 19 TYR HB2 H 1 2.789 0.000 . . . . . A 19 TYR HB2 . 25142 1 164 . 1 1 19 19 TYR HB3 H 1 3.242 0.000 . . . . . A 19 TYR HB3 . 25142 1 165 . 1 1 19 19 TYR HD1 H 1 7.067 0.000 . . . . . A 19 TYR HD1 . 25142 1 166 . 1 1 19 19 TYR HD2 H 1 7.067 0.000 . . . . . A 19 TYR HD2 . 25142 1 167 . 1 1 19 19 TYR C C 13 176.959 0.000 . . . . . A 19 TYR C . 25142 1 168 . 1 1 19 19 TYR CA C 13 61.409 0.000 . . . . . A 19 TYR CA . 25142 1 169 . 1 1 19 19 TYR CB C 13 38.802 0.000 . . . . . A 19 TYR CB . 25142 1 170 . 1 1 19 19 TYR CD1 C 13 133.334 0.000 . . . . . A 19 TYR CD1 . 25142 1 171 . 1 1 19 19 TYR CE2 C 13 118.469 0.000 . . . . . A 19 TYR CE2 . 25142 1 172 . 1 1 19 19 TYR N N 15 118.372 0.000 . . . . . A 19 TYR N . 25142 1 173 . 1 1 20 20 GLN H H 1 7.771 0.000 . . . . . A 20 GLN H . 25142 1 174 . 1 1 20 20 GLN HA H 1 3.536 0.000 . . . . . A 20 GLN HA . 25142 1 175 . 1 1 20 20 GLN HB2 H 1 2.603 0.000 . . . . . A 20 GLN HB2 . 25142 1 176 . 1 1 20 20 GLN HB3 H 1 1.602 0.000 . . . . . A 20 GLN HB3 . 25142 1 177 . 1 1 20 20 GLN HG2 H 1 2.723 0.000 . . . . . A 20 GLN HG2 . 25142 1 178 . 1 1 20 20 GLN HG3 H 1 2.723 0.000 . . . . . A 20 GLN HG3 . 25142 1 179 . 1 1 20 20 GLN C C 13 177.491 0.000 . . . . . A 20 GLN C . 25142 1 180 . 1 1 20 20 GLN CA C 13 59.301 0.000 . . . . . A 20 GLN CA . 25142 1 181 . 1 1 20 20 GLN CB C 13 28.105 0.000 . . . . . A 20 GLN CB . 25142 1 182 . 1 1 20 20 GLN CG C 13 34.991 0.000 . . . . . A 20 GLN CG . 25142 1 183 . 1 1 20 20 GLN N N 15 116.238 0.000 . . . . . A 20 GLN N . 25142 1 184 . 1 1 21 21 THR H H 1 8.468 0.000 . . . . . A 21 THR H . 25142 1 185 . 1 1 21 21 THR HA H 1 3.401 0.000 . . . . . A 21 THR HA . 25142 1 186 . 1 1 21 21 THR HB H 1 4.316 0.000 . . . . . A 21 THR HB . 25142 1 187 . 1 1 21 21 THR HG21 H 1 1.308 0.000 . . . . . A 21 THR HG21 . 25142 1 188 . 1 1 21 21 THR HG22 H 1 1.308 0.000 . . . . . A 21 THR HG22 . 25142 1 189 . 1 1 21 21 THR HG23 H 1 1.308 0.000 . . . . . A 21 THR HG23 . 25142 1 190 . 1 1 21 21 THR C C 13 175.530 0.000 . . . . . A 21 THR C . 25142 1 191 . 1 1 21 21 THR CA C 13 67.451 0.000 . . . . . A 21 THR CA . 25142 1 192 . 1 1 21 21 THR CB C 13 68.856 0.000 . . . . . A 21 THR CB . 25142 1 193 . 1 1 21 21 THR CG2 C 13 22.344 0.000 . . . . . A 21 THR CG2 . 25142 1 194 . 1 1 21 21 THR N N 15 112.943 0.000 . . . . . A 21 THR N . 25142 1 195 . 1 1 22 22 LEU H H 1 8.054 0.000 . . . . . A 22 LEU H . 25142 1 196 . 1 1 22 22 LEU HA H 1 3.979 0.000 . . . . . A 22 LEU HA . 25142 1 197 . 1 1 22 22 LEU HB2 H 1 1.875 0.000 . . . . . A 22 LEU HB2 . 25142 1 198 . 1 1 22 22 LEU HB3 H 1 1.492 0.000 . . . . . A 22 LEU HB3 . 25142 1 199 . 1 1 22 22 LEU HG H 1 1.765 0.000 . . . . . A 22 LEU HG . 25142 1 200 . 1 1 22 22 LEU HD11 H 1 0.875 0.000 . . . . . A 22 LEU HD11 . 25142 1 201 . 1 1 22 22 LEU HD12 H 1 0.875 0.000 . . . . . A 22 LEU HD12 . 25142 1 202 . 1 1 22 22 LEU HD13 H 1 0.875 0.000 . . . . . A 22 LEU HD13 . 25142 1 203 . 1 1 22 22 LEU HD21 H 1 0.869 0.000 . . . . . A 22 LEU HD21 . 25142 1 204 . 1 1 22 22 LEU HD22 H 1 0.869 0.000 . . . . . A 22 LEU HD22 . 25142 1 205 . 1 1 22 22 LEU HD23 H 1 0.869 0.000 . . . . . A 22 LEU HD23 . 25142 1 206 . 1 1 22 22 LEU C C 13 180.452 0.000 . . . . . A 22 LEU C . 25142 1 207 . 1 1 22 22 LEU CA C 13 58.036 0.000 . . . . . A 22 LEU CA . 25142 1 208 . 1 1 22 22 LEU CB C 13 41.877 0.000 . . . . . A 22 LEU CB . 25142 1 209 . 1 1 22 22 LEU CG C 13 27.122 0.000 . . . . . A 22 LEU CG . 25142 1 210 . 1 1 22 22 LEU CD1 C 13 25.436 0.000 . . . . . A 22 LEU CD1 . 25142 1 211 . 1 1 22 22 LEU N N 15 121.513 0.000 . . . . . A 22 LEU N . 25142 1 212 . 1 1 23 23 GLU H H 1 7.732 0.000 . . . . . A 23 GLU H . 25142 1 213 . 1 1 23 23 GLU HA H 1 3.836 0.000 . . . . . A 23 GLU HA . 25142 1 214 . 1 1 23 23 GLU HB2 H 1 1.935 0.000 . . . . . A 23 GLU HB2 . 25142 1 215 . 1 1 23 23 GLU HB3 H 1 1.645 0.000 . . . . . A 23 GLU HB3 . 25142 1 216 . 1 1 23 23 GLU HG2 H 1 1.706 0.000 . . . . . A 23 GLU HG2 . 25142 1 217 . 1 1 23 23 GLU HG3 H 1 1.706 0.000 . . . . . A 23 GLU HG3 . 25142 1 218 . 1 1 23 23 GLU C C 13 179.824 0.000 . . . . . A 23 GLU C . 25142 1 219 . 1 1 23 23 GLU CA C 13 58.598 0.000 . . . . . A 23 GLU CA . 25142 1 220 . 1 1 23 23 GLU CB C 13 30.932 0.000 . . . . . A 23 GLU CB . 25142 1 221 . 1 1 23 23 GLU CG C 13 35.834 0.000 . . . . . A 23 GLU CG . 25142 1 222 . 1 1 23 23 GLU N N 15 118.464 0.000 . . . . . A 23 GLU N . 25142 1 223 . 1 1 24 24 LEU H H 1 8.335 0.000 . . . . . A 24 LEU H . 25142 1 224 . 1 1 24 24 LEU HA H 1 3.512 0.000 . . . . . A 24 LEU HA . 25142 1 225 . 1 1 24 24 LEU HB2 H 1 0.429 0.000 . . . . . A 24 LEU HB2 . 25142 1 226 . 1 1 24 24 LEU HB3 H 1 -1.030 0.000 . . . . . A 24 LEU HB3 . 25142 1 227 . 1 1 24 24 LEU HG H 1 1.087 0.000 . . . . . A 24 LEU HG . 25142 1 228 . 1 1 24 24 LEU HD11 H 1 -0.558 0.000 . . . . . A 24 LEU HD11 . 25142 1 229 . 1 1 24 24 LEU HD12 H 1 -0.558 0.000 . . . . . A 24 LEU HD12 . 25142 1 230 . 1 1 24 24 LEU HD13 H 1 -0.558 0.000 . . . . . A 24 LEU HD13 . 25142 1 231 . 1 1 24 24 LEU HD21 H 1 0.437 0.000 . . . . . A 24 LEU HD21 . 25142 1 232 . 1 1 24 24 LEU HD22 H 1 0.437 0.000 . . . . . A 24 LEU HD22 . 25142 1 233 . 1 1 24 24 LEU HD23 H 1 0.437 0.000 . . . . . A 24 LEU HD23 . 25142 1 234 . 1 1 24 24 LEU C C 13 177.592 0.000 . . . . . A 24 LEU C . 25142 1 235 . 1 1 24 24 LEU CA C 13 58.458 0.000 . . . . . A 24 LEU CA . 25142 1 236 . 1 1 24 24 LEU CB C 13 37.520 0.000 . . . . . A 24 LEU CB . 25142 1 237 . 1 1 24 24 LEU CG C 13 25.875 0.000 . . . . . A 24 LEU CG . 25142 1 238 . 1 1 24 24 LEU CD1 C 13 23.187 0.000 . . . . . A 24 LEU CD1 . 25142 1 239 . 1 1 24 24 LEU CD2 C 13 23.187 0.000 . . . . . A 24 LEU CD2 . 25142 1 240 . 1 1 24 24 LEU N N 15 124.210 0.000 . . . . . A 24 LEU N . 25142 1 241 . 1 1 25 25 GLU H H 1 7.912 0.000 . . . . . A 25 GLU H . 25142 1 242 . 1 1 25 25 GLU HA H 1 4.247 0.000 . . . . . A 25 GLU HA . 25142 1 243 . 1 1 25 25 GLU HB2 H 1 1.977 0.000 . . . . . A 25 GLU HB2 . 25142 1 244 . 1 1 25 25 GLU HB3 H 1 2.160 0.000 . . . . . A 25 GLU HB3 . 25142 1 245 . 1 1 25 25 GLU HG2 H 1 2.358 0.000 . . . . . A 25 GLU HG2 . 25142 1 246 . 1 1 25 25 GLU HG3 H 1 2.454 0.000 . . . . . A 25 GLU HG3 . 25142 1 247 . 1 1 25 25 GLU C C 13 179.021 0.000 . . . . . A 25 GLU C . 25142 1 248 . 1 1 25 25 GLU CA C 13 60.003 0.000 . . . . . A 25 GLU CA . 25142 1 249 . 1 1 25 25 GLU CB C 13 28.668 0.000 . . . . . A 25 GLU CB . 25142 1 250 . 1 1 25 25 GLU CG C 13 34.007 0.000 . . . . . A 25 GLU CG . 25142 1 251 . 1 1 25 25 GLU N N 15 119.137 0.000 . . . . . A 25 GLU N . 25142 1 252 . 1 1 26 26 LYS H H 1 7.537 0.000 . . . . . A 26 LYS H . 25142 1 253 . 1 1 26 26 LYS HA H 1 3.917 0.000 . . . . . A 26 LYS HA . 25142 1 254 . 1 1 26 26 LYS HB2 H 1 1.869 0.000 . . . . . A 26 LYS HB2 . 25142 1 255 . 1 1 26 26 LYS HB3 H 1 1.869 0.000 . . . . . A 26 LYS HB3 . 25142 1 256 . 1 1 26 26 LYS HG2 H 1 1.603 0.000 . . . . . A 26 LYS HG2 . 25142 1 257 . 1 1 26 26 LYS HG3 H 1 1.603 0.000 . . . . . A 26 LYS HG3 . 25142 1 258 . 1 1 26 26 LYS HD2 H 1 1.346 0.000 . . . . . A 26 LYS HD2 . 25142 1 259 . 1 1 26 26 LYS HD3 H 1 1.346 0.000 . . . . . A 26 LYS HD3 . 25142 1 260 . 1 1 26 26 LYS HE2 H 1 2.887 0.000 . . . . . A 26 LYS HE2 . 25142 1 261 . 1 1 26 26 LYS C C 13 179.351 0.000 . . . . . A 26 LYS C . 25142 1 262 . 1 1 26 26 LYS CA C 13 60.003 0.000 . . . . . A 26 LYS CA . 25142 1 263 . 1 1 26 26 LYS CB C 13 32.602 0.000 . . . . . A 26 LYS CB . 25142 1 264 . 1 1 26 26 LYS CG C 13 25.014 0.000 . . . . . A 26 LYS CG . 25142 1 265 . 1 1 26 26 LYS CD C 13 29.229 0.000 . . . . . A 26 LYS CD . 25142 1 266 . 1 1 26 26 LYS CE C 13 42.017 0.000 . . . . . A 26 LYS CE . 25142 1 267 . 1 1 26 26 LYS N N 15 118.579 0.000 . . . . . A 26 LYS N . 25142 1 268 . 1 1 27 27 GLU H H 1 7.849 0.000 . . . . . A 27 GLU H . 25142 1 269 . 1 1 27 27 GLU HA H 1 4.145 0.000 . . . . . A 27 GLU HA . 25142 1 270 . 1 1 27 27 GLU HB2 H 1 2.373 0.000 . . . . . A 27 GLU HB2 . 25142 1 271 . 1 1 27 27 GLU HG2 H 1 2.275 0.000 . . . . . A 27 GLU HG2 . 25142 1 272 . 1 1 27 27 GLU HG3 H 1 2.223 0.000 . . . . . A 27 GLU HG3 . 25142 1 273 . 1 1 27 27 GLU C C 13 178.189 0.000 . . . . . A 27 GLU C . 25142 1 274 . 1 1 27 27 GLU CA C 13 59.020 0.000 . . . . . A 27 GLU CA . 25142 1 275 . 1 1 27 27 GLU CB C 13 28.527 0.000 . . . . . A 27 GLU CB . 25142 1 276 . 1 1 27 27 GLU CG C 13 36.537 0.000 . . . . . A 27 GLU CG . 25142 1 277 . 1 1 27 27 GLU N N 15 120.048 0.000 . . . . . A 27 GLU N . 25142 1 278 . 1 1 28 28 PHE H H 1 8.893 0.000 . . . . . A 28 PHE H . 25142 1 279 . 1 1 28 28 PHE HA H 1 4.358 0.000 . . . . . A 28 PHE HA . 25142 1 280 . 1 1 28 28 PHE HB2 H 1 3.204 0.000 . . . . . A 28 PHE HB2 . 25142 1 281 . 1 1 28 28 PHE HB3 H 1 2.944 0.000 . . . . . A 28 PHE HB3 . 25142 1 282 . 1 1 28 28 PHE HD1 H 1 7.568 0.000 . . . . . A 28 PHE HD1 . 25142 1 283 . 1 1 28 28 PHE HD2 H 1 7.568 0.000 . . . . . A 28 PHE HD2 . 25142 1 284 . 1 1 28 28 PHE HE1 H 1 7.226 0.000 . . . . . A 28 PHE HE1 . 25142 1 285 . 1 1 28 28 PHE HE2 H 1 7.226 0.000 . . . . . A 28 PHE HE2 . 25142 1 286 . 1 1 28 28 PHE C C 13 176.148 0.000 . . . . . A 28 PHE C . 25142 1 287 . 1 1 28 28 PHE CA C 13 61.830 0.000 . . . . . A 28 PHE CA . 25142 1 288 . 1 1 28 28 PHE CB C 13 39.347 0.000 . . . . . A 28 PHE CB . 25142 1 289 . 1 1 28 28 PHE CD1 C 13 132.561 0.000 . . . . . A 28 PHE CD1 . 25142 1 290 . 1 1 28 28 PHE CE2 C 13 131.425 0.000 . . . . . A 28 PHE CE2 . 25142 1 291 . 1 1 28 28 PHE N N 15 122.074 0.000 . . . . . A 28 PHE N . 25142 1 292 . 1 1 29 29 LEU H H 1 7.919 0.000 . . . . . A 29 LEU H . 25142 1 293 . 1 1 29 29 LEU HA H 1 3.963 0.000 . . . . . A 29 LEU HA . 25142 1 294 . 1 1 29 29 LEU HB2 H 1 1.492 0.000 . . . . . A 29 LEU HB2 . 25142 1 295 . 1 1 29 29 LEU HB3 H 1 1.801 0.000 . . . . . A 29 LEU HB3 . 25142 1 296 . 1 1 29 29 LEU HG H 1 1.946 0.000 . . . . . A 29 LEU HG . 25142 1 297 . 1 1 29 29 LEU HD11 H 1 0.945 0.000 . . . . . A 29 LEU HD11 . 25142 1 298 . 1 1 29 29 LEU HD12 H 1 0.945 0.000 . . . . . A 29 LEU HD12 . 25142 1 299 . 1 1 29 29 LEU HD13 H 1 0.945 0.000 . . . . . A 29 LEU HD13 . 25142 1 300 . 1 1 29 29 LEU HD21 H 1 0.908 0.000 . . . . . A 29 LEU HD21 . 25142 1 301 . 1 1 29 29 LEU HD22 H 1 0.908 0.000 . . . . . A 29 LEU HD22 . 25142 1 302 . 1 1 29 29 LEU HD23 H 1 0.908 0.000 . . . . . A 29 LEU HD23 . 25142 1 303 . 1 1 29 29 LEU C C 13 179.362 0.000 . . . . . A 29 LEU C . 25142 1 304 . 1 1 29 29 LEU CA C 13 56.350 0.000 . . . . . A 29 LEU CA . 25142 1 305 . 1 1 29 29 LEU CB C 13 41.756 0.000 . . . . . A 29 LEU CB . 25142 1 306 . 1 1 29 29 LEU CG C 13 26.700 0.000 . . . . . A 29 LEU CG . 25142 1 307 . 1 1 29 29 LEU CD1 C 13 25.155 0.000 . . . . . A 29 LEU CD1 . 25142 1 308 . 1 1 29 29 LEU CD2 C 13 22.766 0.000 . . . . . A 29 LEU CD2 . 25142 1 309 . 1 1 29 29 LEU N N 15 115.649 0.000 . . . . . A 29 LEU N . 25142 1 310 . 1 1 30 30 PHE H H 1 7.584 0.000 . . . . . A 30 PHE H . 25142 1 311 . 1 1 30 30 PHE HA H 1 4.445 0.000 . . . . . A 30 PHE HA . 25142 1 312 . 1 1 30 30 PHE HB2 H 1 3.285 0.000 . . . . . A 30 PHE HB2 . 25142 1 313 . 1 1 30 30 PHE HD1 H 1 7.324 0.000 . . . . . A 30 PHE HD1 . 25142 1 314 . 1 1 30 30 PHE HD2 H 1 7.324 0.000 . . . . . A 30 PHE HD2 . 25142 1 315 . 1 1 30 30 PHE C C 13 176.451 0.000 . . . . . A 30 PHE C . 25142 1 316 . 1 1 30 30 PHE CA C 13 59.582 0.000 . . . . . A 30 PHE CA . 25142 1 317 . 1 1 30 30 PHE CB C 13 39.628 0.000 . . . . . A 30 PHE CB . 25142 1 318 . 1 1 30 30 PHE CD1 C 13 131.954 0.000 . . . . . A 30 PHE CD1 . 25142 1 319 . 1 1 30 30 PHE N N 15 119.314 0.000 . . . . . A 30 PHE N . 25142 1 320 . 1 1 31 31 ASN H H 1 8.375 0.000 . . . . . A 31 ASN H . 25142 1 321 . 1 1 31 31 ASN HA H 1 4.592 0.000 . . . . . A 31 ASN HA . 25142 1 322 . 1 1 31 31 ASN HB2 H 1 2.846 0.000 . . . . . A 31 ASN HB2 . 25142 1 323 . 1 1 31 31 ASN HB3 H 1 2.846 0.000 . . . . . A 31 ASN HB3 . 25142 1 324 . 1 1 31 31 ASN HD21 H 1 8.087 0.000 . . . . . A 31 ASN HD21 . 25142 1 325 . 1 1 31 31 ASN HD22 H 1 7.361 0.000 . . . . . A 31 ASN HD22 . 25142 1 326 . 1 1 31 31 ASN C C 13 173.302 0.000 . . . . . A 31 ASN C . 25142 1 327 . 1 1 31 31 ASN CA C 13 53.961 0.000 . . . . . A 31 ASN CA . 25142 1 328 . 1 1 31 31 ASN CB C 13 39.347 0.000 . . . . . A 31 ASN CB . 25142 1 329 . 1 1 31 31 ASN N N 15 116.457 0.000 . . . . . A 31 ASN N . 25142 1 330 . 1 1 31 31 ASN ND2 N 15 115.725 0.000 . . . . . A 31 ASN ND2 . 25142 1 331 . 1 1 32 32 MET H H 1 8.185 0.000 . . . . . A 32 MET H . 25142 1 332 . 1 1 32 32 MET HA H 1 3.761 0.000 . . . . . A 32 MET HA . 25142 1 333 . 1 1 32 32 MET HB2 H 1 1.388 0.000 . . . . . A 32 MET HB2 . 25142 1 334 . 1 1 32 32 MET HB3 H 1 1.676 0.000 . . . . . A 32 MET HB3 . 25142 1 335 . 1 1 32 32 MET HG2 H 1 1.976 0.000 . . . . . A 32 MET HG2 . 25142 1 336 . 1 1 32 32 MET C C 13 174.112 0.000 . . . . . A 32 MET C . 25142 1 337 . 1 1 32 32 MET CA C 13 57.474 0.000 . . . . . A 32 MET CA . 25142 1 338 . 1 1 32 32 MET CB C 13 33.586 0.000 . . . . . A 32 MET CB . 25142 1 339 . 1 1 32 32 MET CG C 13 31.338 0.000 . . . . . A 32 MET CG . 25142 1 340 . 1 1 32 32 MET N N 15 121.247 0.000 . . . . . A 32 MET N . 25142 1 341 . 1 1 33 33 TYR H H 1 7.758 0.000 . . . . . A 33 TYR H . 25142 1 342 . 1 1 33 33 TYR HA H 1 4.677 0.000 . . . . . A 33 TYR HA . 25142 1 343 . 1 1 33 33 TYR HB2 H 1 2.697 0.000 . . . . . A 33 TYR HB2 . 25142 1 344 . 1 1 33 33 TYR HB3 H 1 2.829 0.000 . . . . . A 33 TYR HB3 . 25142 1 345 . 1 1 33 33 TYR HD1 H 1 7.150 0.000 . . . . . A 33 TYR HD1 . 25142 1 346 . 1 1 33 33 TYR HD2 H 1 7.150 0.000 . . . . . A 33 TYR HD2 . 25142 1 347 . 1 1 33 33 TYR C C 13 175.017 0.000 . . . . . A 33 TYR C . 25142 1 348 . 1 1 33 33 TYR CA C 13 57.193 0.000 . . . . . A 33 TYR CA . 25142 1 349 . 1 1 33 33 TYR CB C 13 40.190 0.000 . . . . . A 33 TYR CB . 25142 1 350 . 1 1 33 33 TYR CD2 C 13 133.774 0.000 . . . . . A 33 TYR CD2 . 25142 1 351 . 1 1 33 33 TYR CE2 C 13 117.892 0.000 . . . . . A 33 TYR CE2 . 25142 1 352 . 1 1 33 33 TYR N N 15 115.333 0.000 . . . . . A 33 TYR N . 25142 1 353 . 1 1 34 34 LEU H H 1 8.293 0.000 . . . . . A 34 LEU H . 25142 1 354 . 1 1 34 34 LEU HA H 1 4.592 0.000 . . . . . A 34 LEU HA . 25142 1 355 . 1 1 34 34 LEU HB2 H 1 1.472 0.000 . . . . . A 34 LEU HB2 . 25142 1 356 . 1 1 34 34 LEU HB3 H 1 1.223 0.000 . . . . . A 34 LEU HB3 . 25142 1 357 . 1 1 34 34 LEU HG H 1 0.803 0.000 . . . . . A 34 LEU HG . 25142 1 358 . 1 1 34 34 LEU HD11 H 1 0.183 0.000 . . . . . A 34 LEU HD11 . 25142 1 359 . 1 1 34 34 LEU HD12 H 1 0.183 0.000 . . . . . A 34 LEU HD12 . 25142 1 360 . 1 1 34 34 LEU HD13 H 1 0.183 0.000 . . . . . A 34 LEU HD13 . 25142 1 361 . 1 1 34 34 LEU HD21 H 1 0.512 0.000 . . . . . A 34 LEU HD21 . 25142 1 362 . 1 1 34 34 LEU HD22 H 1 0.512 0.000 . . . . . A 34 LEU HD22 . 25142 1 363 . 1 1 34 34 LEU HD23 H 1 0.512 0.000 . . . . . A 34 LEU HD23 . 25142 1 364 . 1 1 34 34 LEU C C 13 178.373 0.000 . . . . . A 34 LEU C . 25142 1 365 . 1 1 34 34 LEU CA C 13 53.961 0.000 . . . . . A 34 LEU CA . 25142 1 366 . 1 1 34 34 LEU CB C 13 43.844 0.000 . . . . . A 34 LEU CB . 25142 1 367 . 1 1 34 34 LEU CG C 13 26.559 0.000 . . . . . A 34 LEU CG . 25142 1 368 . 1 1 34 34 LEU CD1 C 13 25.875 0.000 . . . . . A 34 LEU CD1 . 25142 1 369 . 1 1 34 34 LEU CD2 C 13 23.890 0.000 . . . . . A 34 LEU CD2 . 25142 1 370 . 1 1 34 34 LEU N N 15 122.393 0.000 . . . . . A 34 LEU N . 25142 1 371 . 1 1 35 35 THR H H 1 7.729 0.000 . . . . . A 35 THR H . 25142 1 372 . 1 1 35 35 THR HA H 1 4.445 0.000 . . . . . A 35 THR HA . 25142 1 373 . 1 1 35 35 THR HB H 1 4.691 0.000 . . . . . A 35 THR HB . 25142 1 374 . 1 1 35 35 THR HG21 H 1 1.367 0.000 . . . . . A 35 THR HG21 . 25142 1 375 . 1 1 35 35 THR HG22 H 1 1.367 0.000 . . . . . A 35 THR HG22 . 25142 1 376 . 1 1 35 35 THR HG23 H 1 1.367 0.000 . . . . . A 35 THR HG23 . 25142 1 377 . 1 1 35 35 THR C C 13 175.115 0.000 . . . . . A 35 THR C . 25142 1 378 . 1 1 35 35 THR CA C 13 59.582 0.000 . . . . . A 35 THR CA . 25142 1 379 . 1 1 35 35 THR CB C 13 70.823 0.000 . . . . . A 35 THR CB . 25142 1 380 . 1 1 35 35 THR CG2 C 13 22.204 0.000 . . . . . A 35 THR CG2 . 25142 1 381 . 1 1 35 35 THR N N 15 113.078 0.000 . . . . . A 35 THR N . 25142 1 382 . 1 1 36 36 ARG H H 1 8.951 0.000 . . . . . A 36 ARG H . 25142 1 383 . 1 1 36 36 ARG HA H 1 3.829 0.000 . . . . . A 36 ARG HA . 25142 1 384 . 1 1 36 36 ARG HB2 H 1 1.810 0.000 . . . . . A 36 ARG HB2 . 25142 1 385 . 1 1 36 36 ARG HB3 H 1 1.977 0.000 . . . . . A 36 ARG HB3 . 25142 1 386 . 1 1 36 36 ARG HG2 H 1 1.592 0.000 . . . . . A 36 ARG HG2 . 25142 1 387 . 1 1 36 36 ARG HG3 H 1 1.472 0.000 . . . . . A 36 ARG HG3 . 25142 1 388 . 1 1 36 36 ARG HD2 H 1 3.186 0.000 . . . . . A 36 ARG HD2 . 25142 1 389 . 1 1 36 36 ARG C C 13 178.596 0.000 . . . . . A 36 ARG C . 25142 1 390 . 1 1 36 36 ARG CA C 13 60.144 0.000 . . . . . A 36 ARG CA . 25142 1 391 . 1 1 36 36 ARG CB C 13 29.089 0.000 . . . . . A 36 ARG CB . 25142 1 392 . 1 1 36 36 ARG CG C 13 27.122 0.000 . . . . . A 36 ARG CG . 25142 1 393 . 1 1 36 36 ARG CD C 13 43.422 0.000 . . . . . A 36 ARG CD . 25142 1 394 . 1 1 36 36 ARG N N 15 122.118 0.000 . . . . . A 36 ARG N . 25142 1 395 . 1 1 37 37 ASP H H 1 8.454 0.000 . . . . . A 37 ASP H . 25142 1 396 . 1 1 37 37 ASP HA H 1 4.426 0.000 . . . . . A 37 ASP HA . 25142 1 397 . 1 1 37 37 ASP HB2 H 1 2.698 0.000 . . . . . A 37 ASP HB2 . 25142 1 398 . 1 1 37 37 ASP HB3 H 1 2.521 0.000 . . . . . A 37 ASP HB3 . 25142 1 399 . 1 1 37 37 ASP C C 13 178.603 0.000 . . . . . A 37 ASP C . 25142 1 400 . 1 1 37 37 ASP CA C 13 57.755 0.000 . . . . . A 37 ASP CA . 25142 1 401 . 1 1 37 37 ASP CB C 13 40.190 0.000 . . . . . A 37 ASP CB . 25142 1 402 . 1 1 37 37 ASP N N 15 116.410 0.000 . . . . . A 37 ASP N . 25142 1 403 . 1 1 38 38 ARG H H 1 7.795 0.000 . . . . . A 38 ARG H . 25142 1 404 . 1 1 38 38 ARG HA H 1 4.217 0.000 . . . . . A 38 ARG HA . 25142 1 405 . 1 1 38 38 ARG HB2 H 1 1.825 0.000 . . . . . A 38 ARG HB2 . 25142 1 406 . 1 1 38 38 ARG HB3 H 1 1.929 0.000 . . . . . A 38 ARG HB3 . 25142 1 407 . 1 1 38 38 ARG HG2 H 1 1.588 0.000 . . . . . A 38 ARG HG2 . 25142 1 408 . 1 1 38 38 ARG HD2 H 1 3.413 0.000 . . . . . A 38 ARG HD2 . 25142 1 409 . 1 1 38 38 ARG HD3 H 1 3.102 0.000 . . . . . A 38 ARG HD3 . 25142 1 410 . 1 1 38 38 ARG C C 13 177.751 0.000 . . . . . A 38 ARG C . 25142 1 411 . 1 1 38 38 ARG CA C 13 57.614 0.000 . . . . . A 38 ARG CA . 25142 1 412 . 1 1 38 38 ARG CB C 13 29.932 0.000 . . . . . A 38 ARG CB . 25142 1 413 . 1 1 38 38 ARG CG C 13 26.776 0.000 . . . . . A 38 ARG CG . 25142 1 414 . 1 1 38 38 ARG CD C 13 43.001 0.000 . . . . . A 38 ARG CD . 25142 1 415 . 1 1 38 38 ARG N N 15 121.073 0.000 . . . . . A 38 ARG N . 25142 1 416 . 1 1 39 39 ARG H H 1 8.650 0.000 . . . . . A 39 ARG H . 25142 1 417 . 1 1 39 39 ARG HA H 1 3.674 0.000 . . . . . A 39 ARG HA . 25142 1 418 . 1 1 39 39 ARG HB2 H 1 2.012 0.000 . . . . . A 39 ARG HB2 . 25142 1 419 . 1 1 39 39 ARG HB3 H 1 1.802 0.000 . . . . . A 39 ARG HB3 . 25142 1 420 . 1 1 39 39 ARG HG2 H 1 1.472 0.000 . . . . . A 39 ARG HG2 . 25142 1 421 . 1 1 39 39 ARG HG3 H 1 1.536 0.000 . . . . . A 39 ARG HG3 . 25142 1 422 . 1 1 39 39 ARG HD2 H 1 3.440 0.000 . . . . . A 39 ARG HD2 . 25142 1 423 . 1 1 39 39 ARG HD3 H 1 3.306 0.000 . . . . . A 39 ARG HD3 . 25142 1 424 . 1 1 39 39 ARG C C 13 177.405 0.000 . . . . . A 39 ARG C . 25142 1 425 . 1 1 39 39 ARG CA C 13 60.285 0.000 . . . . . A 39 ARG CA . 25142 1 426 . 1 1 39 39 ARG CB C 13 30.073 0.000 . . . . . A 39 ARG CB . 25142 1 427 . 1 1 39 39 ARG CG C 13 27.965 0.000 . . . . . A 39 ARG CG . 25142 1 428 . 1 1 39 39 ARG CD C 13 43.844 0.000 . . . . . A 39 ARG CD . 25142 1 429 . 1 1 39 39 ARG N N 15 119.603 0.000 . . . . . A 39 ARG N . 25142 1 430 . 1 1 40 40 TYR H H 1 7.893 0.000 . . . . . A 40 TYR H . 25142 1 431 . 1 1 40 40 TYR HA H 1 4.071 0.000 . . . . . A 40 TYR HA . 25142 1 432 . 1 1 40 40 TYR HB2 H 1 3.182 0.000 . . . . . A 40 TYR HB2 . 25142 1 433 . 1 1 40 40 TYR HB3 H 1 3.182 0.000 . . . . . A 40 TYR HB3 . 25142 1 434 . 1 1 40 40 TYR HD1 H 1 7.266 0.000 . . . . . A 40 TYR HD1 . 25142 1 435 . 1 1 40 40 TYR HD2 H 1 7.266 0.000 . . . . . A 40 TYR HD2 . 25142 1 436 . 1 1 40 40 TYR C C 13 177.632 0.000 . . . . . A 40 TYR C . 25142 1 437 . 1 1 40 40 TYR CA C 13 62.392 0.000 . . . . . A 40 TYR CA . 25142 1 438 . 1 1 40 40 TYR CB C 13 37.801 0.000 . . . . . A 40 TYR CB . 25142 1 439 . 1 1 40 40 TYR CD2 C 13 133.622 0.000 . . . . . A 40 TYR CD2 . 25142 1 440 . 1 1 40 40 TYR CE2 C 13 118.277 0.000 . . . . . A 40 TYR CE2 . 25142 1 441 . 1 1 40 40 TYR N N 15 116.995 0.000 . . . . . A 40 TYR N . 25142 1 442 . 1 1 41 41 GLU H H 1 7.687 0.000 . . . . . A 41 GLU H . 25142 1 443 . 1 1 41 41 GLU HA H 1 4.139 0.000 . . . . . A 41 GLU HA . 25142 1 444 . 1 1 41 41 GLU HB2 H 1 2.221 0.000 . . . . . A 41 GLU HB2 . 25142 1 445 . 1 1 41 41 GLU HB3 H 1 2.076 0.000 . . . . . A 41 GLU HB3 . 25142 1 446 . 1 1 41 41 GLU HG2 H 1 2.390 0.000 . . . . . A 41 GLU HG2 . 25142 1 447 . 1 1 41 41 GLU HG3 H 1 2.390 0.000 . . . . . A 41 GLU HG3 . 25142 1 448 . 1 1 41 41 GLU C C 13 178.263 0.000 . . . . . A 41 GLU C . 25142 1 449 . 1 1 41 41 GLU CA C 13 58.036 0.000 . . . . . A 41 GLU CA . 25142 1 450 . 1 1 41 41 GLU CB C 13 30.073 0.000 . . . . . A 41 GLU CB . 25142 1 451 . 1 1 41 41 GLU CG C 13 35.272 0.000 . . . . . A 41 GLU CG . 25142 1 452 . 1 1 41 41 GLU N N 15 120.324 0.000 . . . . . A 41 GLU N . 25142 1 453 . 1 1 42 42 VAL H H 1 8.675 0.000 . . . . . A 42 VAL H . 25142 1 454 . 1 1 42 42 VAL HA H 1 3.521 0.000 . . . . . A 42 VAL HA . 25142 1 455 . 1 1 42 42 VAL HB H 1 1.869 0.000 . . . . . A 42 VAL HB . 25142 1 456 . 1 1 42 42 VAL HG11 H 1 0.908 0.000 . . . . . A 42 VAL HG11 . 25142 1 457 . 1 1 42 42 VAL HG12 H 1 0.908 0.000 . . . . . A 42 VAL HG12 . 25142 1 458 . 1 1 42 42 VAL HG13 H 1 0.908 0.000 . . . . . A 42 VAL HG13 . 25142 1 459 . 1 1 42 42 VAL HG21 H 1 0.789 0.000 . . . . . A 42 VAL HG21 . 25142 1 460 . 1 1 42 42 VAL HG22 H 1 0.789 0.000 . . . . . A 42 VAL HG22 . 25142 1 461 . 1 1 42 42 VAL HG23 H 1 0.789 0.000 . . . . . A 42 VAL HG23 . 25142 1 462 . 1 1 42 42 VAL C C 13 177.248 0.000 . . . . . A 42 VAL C . 25142 1 463 . 1 1 42 42 VAL CA C 13 66.186 0.000 . . . . . A 42 VAL CA . 25142 1 464 . 1 1 42 42 VAL CB C 13 32.602 0.000 . . . . . A 42 VAL CB . 25142 1 465 . 1 1 42 42 VAL CG1 C 13 22.765 0.000 . . . . . A 42 VAL CG1 . 25142 1 466 . 1 1 42 42 VAL CG2 C 13 22.203 0.000 . . . . . A 42 VAL CG2 . 25142 1 467 . 1 1 42 42 VAL N N 15 120.030 0.000 . . . . . A 42 VAL N . 25142 1 468 . 1 1 43 43 ALA H H 1 8.026 0.000 . . . . . A 43 ALA H . 25142 1 469 . 1 1 43 43 ALA HA H 1 3.568 0.000 . . . . . A 43 ALA HA . 25142 1 470 . 1 1 43 43 ALA HB1 H 1 1.306 0.000 . . . . . A 43 ALA HB1 . 25142 1 471 . 1 1 43 43 ALA HB2 H 1 1.306 0.000 . . . . . A 43 ALA HB2 . 25142 1 472 . 1 1 43 43 ALA HB3 H 1 1.306 0.000 . . . . . A 43 ALA HB3 . 25142 1 473 . 1 1 43 43 ALA C C 13 179.037 0.000 . . . . . A 43 ALA C . 25142 1 474 . 1 1 43 43 ALA CA C 13 56.069 0.000 . . . . . A 43 ALA CA . 25142 1 475 . 1 1 43 43 ALA CB C 13 17.426 0.000 . . . . . A 43 ALA CB . 25142 1 476 . 1 1 43 43 ALA N N 15 119.887 0.000 . . . . . A 43 ALA N . 25142 1 477 . 1 1 44 44 ARG H H 1 7.771 0.000 . . . . . A 44 ARG H . 25142 1 478 . 1 1 44 44 ARG HA H 1 4.001 0.000 . . . . . A 44 ARG HA . 25142 1 479 . 1 1 44 44 ARG HB2 H 1 1.932 0.000 . . . . . A 44 ARG HB2 . 25142 1 480 . 1 1 44 44 ARG HB3 H 1 1.747 0.000 . . . . . A 44 ARG HB3 . 25142 1 481 . 1 1 44 44 ARG HG2 H 1 1.584 0.000 . . . . . A 44 ARG HG2 . 25142 1 482 . 1 1 44 44 ARG HG3 H 1 1.436 0.000 . . . . . A 44 ARG HG3 . 25142 1 483 . 1 1 44 44 ARG HD2 H 1 3.013 0.000 . . . . . A 44 ARG HD2 . 25142 1 484 . 1 1 44 44 ARG HD3 H 1 3.307 0.000 . . . . . A 44 ARG HD3 . 25142 1 485 . 1 1 44 44 ARG C C 13 180.290 0.000 . . . . . A 44 ARG C . 25142 1 486 . 1 1 44 44 ARG CA C 13 59.301 0.000 . . . . . A 44 ARG CA . 25142 1 487 . 1 1 44 44 ARG CB C 13 30.073 0.000 . . . . . A 44 ARG CB . 25142 1 488 . 1 1 44 44 ARG CG C 13 27.129 0.000 . . . . . A 44 ARG CG . 25142 1 489 . 1 1 44 44 ARG CD C 13 43.703 0.000 . . . . . A 44 ARG CD . 25142 1 490 . 1 1 44 44 ARG N N 15 116.238 0.000 . . . . . A 44 ARG N . 25142 1 491 . 1 1 45 45 VAL H H 1 8.250 0.000 . . . . . A 45 VAL H . 25142 1 492 . 1 1 45 45 VAL HA H 1 3.810 0.000 . . . . . A 45 VAL HA . 25142 1 493 . 1 1 45 45 VAL HB H 1 2.153 0.000 . . . . . A 45 VAL HB . 25142 1 494 . 1 1 45 45 VAL HG11 H 1 1.087 0.000 . . . . . A 45 VAL HG11 . 25142 1 495 . 1 1 45 45 VAL HG12 H 1 1.087 0.000 . . . . . A 45 VAL HG12 . 25142 1 496 . 1 1 45 45 VAL HG13 H 1 1.087 0.000 . . . . . A 45 VAL HG13 . 25142 1 497 . 1 1 45 45 VAL HG21 H 1 0.992 0.000 . . . . . A 45 VAL HG21 . 25142 1 498 . 1 1 45 45 VAL HG22 H 1 0.992 0.000 . . . . . A 45 VAL HG22 . 25142 1 499 . 1 1 45 45 VAL HG23 H 1 0.992 0.000 . . . . . A 45 VAL HG23 . 25142 1 500 . 1 1 45 45 VAL C C 13 177.986 0.000 . . . . . A 45 VAL C . 25142 1 501 . 1 1 45 45 VAL CA C 13 65.203 0.000 . . . . . A 45 VAL CA . 25142 1 502 . 1 1 45 45 VAL CB C 13 32.602 0.000 . . . . . A 45 VAL CB . 25142 1 503 . 1 1 45 45 VAL CG1 C 13 22.485 0.000 . . . . . A 45 VAL CG1 . 25142 1 504 . 1 1 45 45 VAL CG2 C 13 21.220 0.000 . . . . . A 45 VAL CG2 . 25142 1 505 . 1 1 45 45 VAL N N 15 118.391 0.000 . . . . . A 45 VAL N . 25142 1 506 . 1 1 46 46 LEU H H 1 7.896 0.000 . . . . . A 46 LEU H . 25142 1 507 . 1 1 46 46 LEU HA H 1 4.507 0.000 . . . . . A 46 LEU HA . 25142 1 508 . 1 1 46 46 LEU HB2 H 1 1.701 0.000 . . . . . A 46 LEU HB2 . 25142 1 509 . 1 1 46 46 LEU HB3 H 1 1.419 0.000 . . . . . A 46 LEU HB3 . 25142 1 510 . 1 1 46 46 LEU HD11 H 1 0.646 0.000 . . . . . A 46 LEU HD11 . 25142 1 511 . 1 1 46 46 LEU HD12 H 1 0.646 0.000 . . . . . A 46 LEU HD12 . 25142 1 512 . 1 1 46 46 LEU HD13 H 1 0.646 0.000 . . . . . A 46 LEU HD13 . 25142 1 513 . 1 1 46 46 LEU HD21 H 1 0.742 0.000 . . . . . A 46 LEU HD21 . 25142 1 514 . 1 1 46 46 LEU HD22 H 1 0.742 0.000 . . . . . A 46 LEU HD22 . 25142 1 515 . 1 1 46 46 LEU HD23 H 1 0.742 0.000 . . . . . A 46 LEU HD23 . 25142 1 516 . 1 1 46 46 LEU C C 13 176.657 0.000 . . . . . A 46 LEU C . 25142 1 517 . 1 1 46 46 LEU CA C 13 54.664 0.000 . . . . . A 46 LEU CA . 25142 1 518 . 1 1 46 46 LEU CB C 13 42.175 0.000 . . . . . A 46 LEU CB . 25142 1 519 . 1 1 46 46 LEU CD1 C 13 26.560 0.000 . . . . . A 46 LEU CD1 . 25142 1 520 . 1 1 46 46 LEU CD2 C 13 22.643 0.000 . . . . . A 46 LEU CD2 . 25142 1 521 . 1 1 46 46 LEU N N 15 116.008 0.000 . . . . . A 46 LEU N . 25142 1 522 . 1 1 47 47 ASN H H 1 7.992 0.000 . . . . . A 47 ASN H . 25142 1 523 . 1 1 47 47 ASN HA H 1 4.441 0.000 . . . . . A 47 ASN HA . 25142 1 524 . 1 1 47 47 ASN HB2 H 1 3.246 0.000 . . . . . A 47 ASN HB2 . 25142 1 525 . 1 1 47 47 ASN HB3 H 1 2.806 0.000 . . . . . A 47 ASN HB3 . 25142 1 526 . 1 1 47 47 ASN C C 13 173.788 0.000 . . . . . A 47 ASN C . 25142 1 527 . 1 1 47 47 ASN CA C 13 54.804 0.000 . . . . . A 47 ASN CA . 25142 1 528 . 1 1 47 47 ASN CB C 13 36.818 0.000 . . . . . A 47 ASN CB . 25142 1 529 . 1 1 47 47 ASN N N 15 117.881 0.000 . . . . . A 47 ASN N . 25142 1 530 . 1 1 47 47 ASN ND2 N 15 111.600 0.000 . . . . . A 47 ASN ND2 . 25142 1 531 . 1 1 48 48 LEU H H 1 8.517 0.000 . . . . . A 48 LEU H . 25142 1 532 . 1 1 48 48 LEU HA H 1 4.877 0.000 . . . . . A 48 LEU HA . 25142 1 533 . 1 1 48 48 LEU HB2 H 1 1.259 0.000 . . . . . A 48 LEU HB2 . 25142 1 534 . 1 1 48 48 LEU HB3 H 1 1.694 0.000 . . . . . A 48 LEU HB3 . 25142 1 535 . 1 1 48 48 LEU HG H 1 1.528 0.000 . . . . . A 48 LEU HG . 25142 1 536 . 1 1 48 48 LEU HD11 H 1 0.868 0.000 . . . . . A 48 LEU HD11 . 25142 1 537 . 1 1 48 48 LEU HD12 H 1 0.868 0.000 . . . . . A 48 LEU HD12 . 25142 1 538 . 1 1 48 48 LEU HD13 H 1 0.868 0.000 . . . . . A 48 LEU HD13 . 25142 1 539 . 1 1 48 48 LEU HD21 H 1 0.710 0.000 . . . . . A 48 LEU HD21 . 25142 1 540 . 1 1 48 48 LEU HD22 H 1 0.710 0.000 . . . . . A 48 LEU HD22 . 25142 1 541 . 1 1 48 48 LEU HD23 H 1 0.710 0.000 . . . . . A 48 LEU HD23 . 25142 1 542 . 1 1 48 48 LEU C C 13 176.505 0.000 . . . . . A 48 LEU C . 25142 1 543 . 1 1 48 48 LEU CA C 13 52.832 0.000 . . . . . A 48 LEU CA . 25142 1 544 . 1 1 48 48 LEU CB C 13 47.919 0.000 . . . . . A 48 LEU CB . 25142 1 545 . 1 1 48 48 LEU CG C 13 26.700 0.000 . . . . . A 48 LEU CG . 25142 1 546 . 1 1 48 48 LEU CD1 C 13 27.824 0.000 . . . . . A 48 LEU CD1 . 25142 1 547 . 1 1 48 48 LEU CD2 C 13 23.889 0.000 . . . . . A 48 LEU CD2 . 25142 1 548 . 1 1 48 48 LEU N N 15 119.211 0.000 . . . . . A 48 LEU N . 25142 1 549 . 1 1 49 49 THR H H 1 8.694 0.000 . . . . . A 49 THR H . 25142 1 550 . 1 1 49 49 THR HA H 1 4.648 0.000 . . . . . A 49 THR HA . 25142 1 551 . 1 1 49 49 THR HB H 1 4.691 0.000 . . . . . A 49 THR HB . 25142 1 552 . 1 1 49 49 THR HG21 H 1 1.296 0.000 . . . . . A 49 THR HG21 . 25142 1 553 . 1 1 49 49 THR HG22 H 1 1.296 0.000 . . . . . A 49 THR HG22 . 25142 1 554 . 1 1 49 49 THR HG23 H 1 1.296 0.000 . . . . . A 49 THR HG23 . 25142 1 555 . 1 1 49 49 THR C C 13 176.663 0.000 . . . . . A 49 THR C . 25142 1 556 . 1 1 49 49 THR CA C 13 60.566 0.000 . . . . . A 49 THR CA . 25142 1 557 . 1 1 49 49 THR CB C 13 70.824 0.000 . . . . . A 49 THR CB . 25142 1 558 . 1 1 49 49 THR CG2 C 13 21.782 0.000 . . . . . A 49 THR CG2 . 25142 1 559 . 1 1 49 49 THR N N 15 109.223 0.000 . . . . . A 49 THR N . 25142 1 560 . 1 1 50 50 GLU H H 1 9.184 0.000 . . . . . A 50 GLU H . 25142 1 561 . 1 1 50 50 GLU HA H 1 3.653 0.000 . . . . . A 50 GLU HA . 25142 1 562 . 1 1 50 50 GLU HB2 H 1 1.935 0.000 . . . . . A 50 GLU HB2 . 25142 1 563 . 1 1 50 50 GLU HB3 H 1 1.935 0.000 . . . . . A 50 GLU HB3 . 25142 1 564 . 1 1 50 50 GLU HG2 H 1 2.286 0.000 . . . . . A 50 GLU HG2 . 25142 1 565 . 1 1 50 50 GLU C C 13 178.500 0.000 . . . . . A 50 GLU C . 25142 1 566 . 1 1 50 50 GLU CA C 13 60.987 0.000 . . . . . A 50 GLU CA . 25142 1 567 . 1 1 50 50 GLU CB C 13 29.932 0.000 . . . . . A 50 GLU CB . 25142 1 568 . 1 1 50 50 GLU CG C 13 37.239 0.000 . . . . . A 50 GLU CG . 25142 1 569 . 1 1 50 50 GLU N N 15 121.200 0.000 . . . . . A 50 GLU N . 25142 1 570 . 1 1 51 51 ARG H H 1 8.220 0.000 . . . . . A 51 ARG H . 25142 1 571 . 1 1 51 51 ARG HA H 1 4.003 0.000 . . . . . A 51 ARG HA . 25142 1 572 . 1 1 51 51 ARG HB2 H 1 1.748 0.000 . . . . . A 51 ARG HB2 . 25142 1 573 . 1 1 51 51 ARG HB3 H 1 1.748 0.000 . . . . . A 51 ARG HB3 . 25142 1 574 . 1 1 51 51 ARG HG2 H 1 1.618 0.000 . . . . . A 51 ARG HG2 . 25142 1 575 . 1 1 51 51 ARG HD2 H 1 3.186 0.000 . . . . . A 51 ARG HD2 . 25142 1 576 . 1 1 51 51 ARG C C 13 177.979 0.000 . . . . . A 51 ARG C . 25142 1 577 . 1 1 51 51 ARG CA C 13 59.301 0.000 . . . . . A 51 ARG CA . 25142 1 578 . 1 1 51 51 ARG CB C 13 30.073 0.000 . . . . . A 51 ARG CB . 25142 1 579 . 1 1 51 51 ARG CG C 13 27.121 0.000 . . . . . A 51 ARG CG . 25142 1 580 . 1 1 51 51 ARG CD C 13 43.422 0.000 . . . . . A 51 ARG CD . 25142 1 581 . 1 1 51 51 ARG N N 15 119.168 0.000 . . . . . A 51 ARG N . 25142 1 582 . 1 1 52 52 GLN H H 1 8.029 0.000 . . . . . A 52 GLN H . 25142 1 583 . 1 1 52 52 GLN HA H 1 4.089 0.000 . . . . . A 52 GLN HA . 25142 1 584 . 1 1 52 52 GLN HB2 H 1 2.018 0.000 . . . . . A 52 GLN HB2 . 25142 1 585 . 1 1 52 52 GLN HB3 H 1 2.018 0.000 . . . . . A 52 GLN HB3 . 25142 1 586 . 1 1 52 52 GLN HG2 H 1 2.631 0.000 . . . . . A 52 GLN HG2 . 25142 1 587 . 1 1 52 52 GLN HG3 H 1 2.390 0.000 . . . . . A 52 GLN HG3 . 25142 1 588 . 1 1 52 52 GLN C C 13 180.689 0.000 . . . . . A 52 GLN C . 25142 1 589 . 1 1 52 52 GLN CA C 13 59.863 0.000 . . . . . A 52 GLN CA . 25142 1 590 . 1 1 52 52 GLN CB C 13 30.213 0.000 . . . . . A 52 GLN CB . 25142 1 591 . 1 1 52 52 GLN CG C 13 35.272 0.000 . . . . . A 52 GLN CG . 25142 1 592 . 1 1 52 52 GLN N N 15 117.548 0.000 . . . . . A 52 GLN N . 25142 1 593 . 1 1 53 53 VAL H H 1 8.004 0.000 . . . . . A 53 VAL H . 25142 1 594 . 1 1 53 53 VAL HA H 1 3.813 0.000 . . . . . A 53 VAL HA . 25142 1 595 . 1 1 53 53 VAL HB H 1 2.153 0.000 . . . . . A 53 VAL HB . 25142 1 596 . 1 1 53 53 VAL HG11 H 1 0.967 0.000 . . . . . A 53 VAL HG11 . 25142 1 597 . 1 1 53 53 VAL HG12 H 1 0.967 0.000 . . . . . A 53 VAL HG12 . 25142 1 598 . 1 1 53 53 VAL HG13 H 1 0.967 0.000 . . . . . A 53 VAL HG13 . 25142 1 599 . 1 1 53 53 VAL HG21 H 1 0.908 0.000 . . . . . A 53 VAL HG21 . 25142 1 600 . 1 1 53 53 VAL HG22 H 1 0.908 0.000 . . . . . A 53 VAL HG22 . 25142 1 601 . 1 1 53 53 VAL HG23 H 1 0.908 0.000 . . . . . A 53 VAL HG23 . 25142 1 602 . 1 1 53 53 VAL C C 13 176.662 0.000 . . . . . A 53 VAL C . 25142 1 603 . 1 1 53 53 VAL CA C 13 68.154 0.000 . . . . . A 53 VAL CA . 25142 1 604 . 1 1 53 53 VAL CB C 13 32.602 0.000 . . . . . A 53 VAL CB . 25142 1 605 . 1 1 53 53 VAL CG1 C 13 23.749 0.000 . . . . . A 53 VAL CG1 . 25142 1 606 . 1 1 53 53 VAL CG2 C 13 22.766 0.000 . . . . . A 53 VAL CG2 . 25142 1 607 . 1 1 53 53 VAL N N 15 121.408 0.000 . . . . . A 53 VAL N . 25142 1 608 . 1 1 54 54 LYS H H 1 8.527 0.000 . . . . . A 54 LYS H . 25142 1 609 . 1 1 54 54 LYS HA H 1 4.247 0.000 . . . . . A 54 LYS HA . 25142 1 610 . 1 1 54 54 LYS HB2 H 1 1.869 0.000 . . . . . A 54 LYS HB2 . 25142 1 611 . 1 1 54 54 LYS HB3 H 1 2.153 0.000 . . . . . A 54 LYS HB3 . 25142 1 612 . 1 1 54 54 LYS HG2 H 1 1.336 0.000 . . . . . A 54 LYS HG2 . 25142 1 613 . 1 1 54 54 LYS HG3 H 1 1.273 0.000 . . . . . A 54 LYS HG3 . 25142 1 614 . 1 1 54 54 LYS HD2 H 1 1.685 0.000 . . . . . A 54 LYS HD2 . 25142 1 615 . 1 1 54 54 LYS HE2 H 1 3.002 0.000 . . . . . A 54 LYS HE2 . 25142 1 616 . 1 1 54 54 LYS C C 13 179.996 0.000 . . . . . A 54 LYS C . 25142 1 617 . 1 1 54 54 LYS CA C 13 60.004 0.000 . . . . . A 54 LYS CA . 25142 1 618 . 1 1 54 54 LYS CB C 13 32.602 0.000 . . . . . A 54 LYS CB . 25142 1 619 . 1 1 54 54 LYS CG C 13 24.733 0.000 . . . . . A 54 LYS CG . 25142 1 620 . 1 1 54 54 LYS CD C 13 29.230 0.000 . . . . . A 54 LYS CD . 25142 1 621 . 1 1 54 54 LYS CE C 13 42.158 0.000 . . . . . A 54 LYS CE . 25142 1 622 . 1 1 54 54 LYS N N 15 121.266 0.000 . . . . . A 54 LYS N . 25142 1 623 . 1 1 55 55 ILE H H 1 8.748 0.000 . . . . . A 55 ILE H . 25142 1 624 . 1 1 55 55 ILE HA H 1 3.860 0.000 . . . . . A 55 ILE HA . 25142 1 625 . 1 1 55 55 ILE HB H 1 1.953 0.000 . . . . . A 55 ILE HB . 25142 1 626 . 1 1 55 55 ILE HG12 H 1 1.685 0.000 . . . . . A 55 ILE HG12 . 25142 1 627 . 1 1 55 55 ILE HG13 H 1 1.346 0.000 . . . . . A 55 ILE HG13 . 25142 1 628 . 1 1 55 55 ILE HG21 H 1 1.023 0.000 . . . . . A 55 ILE HG21 . 25142 1 629 . 1 1 55 55 ILE HG22 H 1 1.023 0.000 . . . . . A 55 ILE HG22 . 25142 1 630 . 1 1 55 55 ILE HG23 H 1 1.023 0.000 . . . . . A 55 ILE HG23 . 25142 1 631 . 1 1 55 55 ILE HD11 H 1 0.867 0.000 . . . . . A 55 ILE HD11 . 25142 1 632 . 1 1 55 55 ILE HD12 H 1 0.867 0.000 . . . . . A 55 ILE HD12 . 25142 1 633 . 1 1 55 55 ILE HD13 H 1 0.867 0.000 . . . . . A 55 ILE HD13 . 25142 1 634 . 1 1 55 55 ILE C C 13 177.548 0.000 . . . . . A 55 ILE C . 25142 1 635 . 1 1 55 55 ILE CA C 13 63.938 0.000 . . . . . A 55 ILE CA . 25142 1 636 . 1 1 55 55 ILE CB C 13 38.223 0.000 . . . . . A 55 ILE CB . 25142 1 637 . 1 1 55 55 ILE CG1 C 13 29.230 0.000 . . . . . A 55 ILE CG1 . 25142 1 638 . 1 1 55 55 ILE CG2 C 13 17.426 0.000 . . . . . A 55 ILE CG2 . 25142 1 639 . 1 1 55 55 ILE CD1 C 13 12.929 0.000 . . . . . A 55 ILE CD1 . 25142 1 640 . 1 1 55 55 ILE N N 15 119.453 0.000 . . . . . A 55 ILE N . 25142 1 641 . 1 1 56 56 TRP H H 1 8.076 0.000 . . . . . A 56 TRP H . 25142 1 642 . 1 1 56 56 TRP HA H 1 3.907 0.000 . . . . . A 56 TRP HA . 25142 1 643 . 1 1 56 56 TRP HB2 H 1 3.485 0.000 . . . . . A 56 TRP HB2 . 25142 1 644 . 1 1 56 56 TRP HB3 H 1 3.252 0.000 . . . . . A 56 TRP HB3 . 25142 1 645 . 1 1 56 56 TRP C C 13 180.094 0.000 . . . . . A 56 TRP C . 25142 1 646 . 1 1 56 56 TRP CA C 13 63.938 0.000 . . . . . A 56 TRP CA . 25142 1 647 . 1 1 56 56 TRP CB C 13 29.370 0.000 . . . . . A 56 TRP CB . 25142 1 648 . 1 1 56 56 TRP CD1 C 13 127.025 0.000 . . . . . A 56 TRP CD1 . 25142 1 649 . 1 1 56 56 TRP CZ2 C 13 114.569 0.000 . . . . . A 56 TRP CZ2 . 25142 1 650 . 1 1 56 56 TRP CZ3 C 13 123.814 0.000 . . . . . A 56 TRP CZ3 . 25142 1 651 . 1 1 56 56 TRP N N 15 122.220 0.000 . . . . . A 56 TRP N . 25142 1 652 . 1 1 56 56 TRP NE1 N 15 128.878 0.000 . . . . . A 56 TRP NE1 . 25142 1 653 . 1 1 57 57 PHE H H 1 8.859 0.000 . . . . . A 57 PHE H . 25142 1 654 . 1 1 57 57 PHE HA H 1 3.860 0.000 . . . . . A 57 PHE HA . 25142 1 655 . 1 1 57 57 PHE HB2 H 1 3.284 0.000 . . . . . A 57 PHE HB2 . 25142 1 656 . 1 1 57 57 PHE HB3 H 1 3.587 0.000 . . . . . A 57 PHE HB3 . 25142 1 657 . 1 1 57 57 PHE HD1 H 1 7.817 0.000 . . . . . A 57 PHE HD1 . 25142 1 658 . 1 1 57 57 PHE HD2 H 1 7.817 0.000 . . . . . A 57 PHE HD2 . 25142 1 659 . 1 1 57 57 PHE C C 13 177.749 0.000 . . . . . A 57 PHE C . 25142 1 660 . 1 1 57 57 PHE CA C 13 63.938 0.000 . . . . . A 57 PHE CA . 25142 1 661 . 1 1 57 57 PHE CB C 13 39.628 0.000 . . . . . A 57 PHE CB . 25142 1 662 . 1 1 57 57 PHE N N 15 119.464 0.000 . . . . . A 57 PHE N . 25142 1 663 . 1 1 58 58 GLN H H 1 8.240 0.000 . . . . . A 58 GLN H . 25142 1 664 . 1 1 58 58 GLN HA H 1 4.003 0.000 . . . . . A 58 GLN HA . 25142 1 665 . 1 1 58 58 GLN HB2 H 1 2.160 0.000 . . . . . A 58 GLN HB2 . 25142 1 666 . 1 1 58 58 GLN HB3 H 1 2.292 0.000 . . . . . A 58 GLN HB3 . 25142 1 667 . 1 1 58 58 GLN HG2 H 1 2.548 0.000 . . . . . A 58 GLN HG2 . 25142 1 668 . 1 1 58 58 GLN C C 13 178.888 0.000 . . . . . A 58 GLN C . 25142 1 669 . 1 1 58 58 GLN CA C 13 59.301 0.000 . . . . . A 58 GLN CA . 25142 1 670 . 1 1 58 58 GLN CB C 13 28.667 0.000 . . . . . A 58 GLN CB . 25142 1 671 . 1 1 58 58 GLN CG C 13 33.867 0.000 . . . . . A 58 GLN CG . 25142 1 672 . 1 1 58 58 GLN N N 15 118.649 0.000 . . . . . A 58 GLN N . 25142 1 673 . 1 1 58 58 GLN NE2 N 15 111.332 0.000 . . . . . A 58 GLN NE2 . 25142 1 674 . 1 1 59 59 ASN H H 1 8.320 0.000 . . . . . A 59 ASN H . 25142 1 675 . 1 1 59 59 ASN HA H 1 4.317 0.000 . . . . . A 59 ASN HA . 25142 1 676 . 1 1 59 59 ASN HB2 H 1 2.617 0.000 . . . . . A 59 ASN HB2 . 25142 1 677 . 1 1 59 59 ASN HB3 H 1 2.425 0.000 . . . . . A 59 ASN HB3 . 25142 1 678 . 1 1 59 59 ASN HD21 H 1 7.407 0.000 . . . . . A 59 ASN HD21 . 25142 1 679 . 1 1 59 59 ASN HD22 H 1 6.885 0.000 . . . . . A 59 ASN HD22 . 25142 1 680 . 1 1 59 59 ASN C C 13 177.504 0.000 . . . . . A 59 ASN C . 25142 1 681 . 1 1 59 59 ASN CA C 13 56.210 0.000 . . . . . A 59 ASN CA . 25142 1 682 . 1 1 59 59 ASN CB C 13 37.801 0.000 . . . . . A 59 ASN CB . 25142 1 683 . 1 1 59 59 ASN N N 15 118.104 0.000 . . . . . A 59 ASN N . 25142 1 684 . 1 1 59 59 ASN ND2 N 15 112.749 0.000 . . . . . A 59 ASN ND2 . 25142 1 685 . 1 1 60 60 ARG H H 1 8.113 0.000 . . . . . A 60 ARG H . 25142 1 686 . 1 1 60 60 ARG HA H 1 3.396 0.000 . . . . . A 60 ARG HA . 25142 1 687 . 1 1 60 60 ARG HB2 H 1 0.792 0.000 . . . . . A 60 ARG HB2 . 25142 1 688 . 1 1 60 60 ARG HB3 H 1 -0.237 0.000 . . . . . A 60 ARG HB3 . 25142 1 689 . 1 1 60 60 ARG HD2 H 1 1.597 0.000 . . . . . A 60 ARG HD2 . 25142 1 690 . 1 1 60 60 ARG C C 13 179.229 0.000 . . . . . A 60 ARG C . 25142 1 691 . 1 1 60 60 ARG CA C 13 56.631 0.000 . . . . . A 60 ARG CA . 25142 1 692 . 1 1 60 60 ARG CB C 13 28.387 0.000 . . . . . A 60 ARG CB . 25142 1 693 . 1 1 60 60 ARG CG C 13 24.171 0.000 . . . . . A 60 ARG CG . 25142 1 694 . 1 1 60 60 ARG N N 15 122.957 0.000 . . . . . A 60 ARG N . 25142 1 695 . 1 1 61 61 ARG H H 1 7.902 0.000 . . . . . A 61 ARG H . 25142 1 696 . 1 1 61 61 ARG HA H 1 4.089 0.000 . . . . . A 61 ARG HA . 25142 1 697 . 1 1 61 61 ARG HB2 H 1 1.851 0.000 . . . . . A 61 ARG HB2 . 25142 1 698 . 1 1 61 61 ARG HB3 H 1 1.851 0.000 . . . . . A 61 ARG HB3 . 25142 1 699 . 1 1 61 61 ARG HG2 H 1 1.617 0.000 . . . . . A 61 ARG HG2 . 25142 1 700 . 1 1 61 61 ARG HG3 H 1 1.617 0.000 . . . . . A 61 ARG HG3 . 25142 1 701 . 1 1 61 61 ARG HD2 H 1 3.186 0.000 . . . . . A 61 ARG HD2 . 25142 1 702 . 1 1 61 61 ARG C C 13 178.883 0.000 . . . . . A 61 ARG C . 25142 1 703 . 1 1 61 61 ARG CA C 13 59.863 0.000 . . . . . A 61 ARG CA . 25142 1 704 . 1 1 61 61 ARG CB C 13 30.915 0.000 . . . . . A 61 ARG CB . 25142 1 705 . 1 1 61 61 ARG CG C 13 27.122 0.000 . . . . . A 61 ARG CG . 25142 1 706 . 1 1 61 61 ARG CD C 13 43.422 0.000 . . . . . A 61 ARG CD . 25142 1 707 . 1 1 61 61 ARG N N 15 117.860 0.000 . . . . . A 61 ARG N . 25142 1 708 . 1 1 62 62 MET H H 1 7.535 0.000 . . . . . A 62 MET H . 25142 1 709 . 1 1 62 62 MET HA H 1 4.263 0.000 . . . . . A 62 MET HA . 25142 1 710 . 1 1 62 62 MET HB2 H 1 2.043 0.000 . . . . . A 62 MET HB2 . 25142 1 711 . 1 1 62 62 MET HB3 H 1 2.043 0.000 . . . . . A 62 MET HB3 . 25142 1 712 . 1 1 62 62 MET HG2 H 1 2.630 0.000 . . . . . A 62 MET HG2 . 25142 1 713 . 1 1 62 62 MET HG3 H 1 2.778 0.000 . . . . . A 62 MET HG3 . 25142 1 714 . 1 1 62 62 MET C C 13 177.644 0.000 . . . . . A 62 MET C . 25142 1 715 . 1 1 62 62 MET CA C 13 57.474 0.000 . . . . . A 62 MET CA . 25142 1 716 . 1 1 62 62 MET CB C 13 30.494 0.000 . . . . . A 62 MET CB . 25142 1 717 . 1 1 62 62 MET CG C 13 32.180 0.000 . . . . . A 62 MET CG . 25142 1 718 . 1 1 62 62 MET N N 15 117.859 0.000 . . . . . A 62 MET N . 25142 1 719 . 1 1 63 63 LYS H H 1 7.426 0.000 . . . . . A 63 LYS H . 25142 1 720 . 1 1 63 63 LYS HA H 1 4.132 0.000 . . . . . A 63 LYS HA . 25142 1 721 . 1 1 63 63 LYS HB2 H 1 1.801 0.000 . . . . . A 63 LYS HB2 . 25142 1 722 . 1 1 63 63 LYS HB3 H 1 1.671 0.000 . . . . . A 63 LYS HB3 . 25142 1 723 . 1 1 63 63 LYS HG2 H 1 1.411 0.000 . . . . . A 63 LYS HG2 . 25142 1 724 . 1 1 63 63 LYS HG3 H 1 1.411 0.000 . . . . . A 63 LYS HG3 . 25142 1 725 . 1 1 63 63 LYS HD2 H 1 1.685 0.000 . . . . . A 63 LYS HD2 . 25142 1 726 . 1 1 63 63 LYS HE2 H 1 3.002 0.000 . . . . . A 63 LYS HE2 . 25142 1 727 . 1 1 63 63 LYS C C 13 177.090 0.000 . . . . . A 63 LYS C . 25142 1 728 . 1 1 63 63 LYS CA C 13 57.615 0.000 . . . . . A 63 LYS CA . 25142 1 729 . 1 1 63 63 LYS CB C 13 33.024 0.000 . . . . . A 63 LYS CB . 25142 1 730 . 1 1 63 63 LYS CG C 13 24.873 0.000 . . . . . A 63 LYS CG . 25142 1 731 . 1 1 63 63 LYS CD C 13 29.230 0.000 . . . . . A 63 LYS CD . 25142 1 732 . 1 1 63 63 LYS CE C 13 42.157 0.000 . . . . . A 63 LYS CE . 25142 1 733 . 1 1 63 63 LYS N N 15 118.415 0.000 . . . . . A 63 LYS N . 25142 1 734 . 1 1 64 64 MET H H 1 7.538 0.000 . . . . . A 64 MET H . 25142 1 735 . 1 1 64 64 MET HA H 1 4.271 0.000 . . . . . A 64 MET HA . 25142 1 736 . 1 1 64 64 MET HB2 H 1 2.160 0.000 . . . . . A 64 MET HB2 . 25142 1 737 . 1 1 64 64 MET HG2 H 1 2.740 0.000 . . . . . A 64 MET HG2 . 25142 1 738 . 1 1 64 64 MET C C 13 176.223 0.000 . . . . . A 64 MET C . 25142 1 739 . 1 1 64 64 MET CA C 13 57.632 0.000 . . . . . A 64 MET CA . 25142 1 740 . 1 1 64 64 MET CG C 13 31.899 0.000 . . . . . A 64 MET CG . 25142 1 741 . 1 1 64 64 MET N N 15 117.987 0.000 . . . . . A 64 MET N . 25142 1 742 . 1 1 65 65 LYS H H 1 7.930 0.000 . . . . . A 65 LYS H . 25142 1 743 . 1 1 65 65 LYS HA H 1 4.299 0.000 . . . . . A 65 LYS HA . 25142 1 744 . 1 1 65 65 LYS HB2 H 1 1.801 0.000 . . . . . A 65 LYS HB2 . 25142 1 745 . 1 1 65 65 LYS HB3 H 1 1.801 0.000 . . . . . A 65 LYS HB3 . 25142 1 746 . 1 1 65 65 LYS HG2 H 1 1.459 0.000 . . . . . A 65 LYS HG2 . 25142 1 747 . 1 1 65 65 LYS HD2 H 1 1.685 0.000 . . . . . A 65 LYS HD2 . 25142 1 748 . 1 1 65 65 LYS HE2 H 1 2.747 0.000 . . . . . A 65 LYS HE2 . 25142 1 749 . 1 1 65 65 LYS C C 13 175.950 0.000 . . . . . A 65 LYS C . 25142 1 750 . 1 1 65 65 LYS CA C 13 57.632 0.000 . . . . . A 65 LYS CA . 25142 1 751 . 1 1 65 65 LYS CB C 13 33.024 0.000 . . . . . A 65 LYS CB . 25142 1 752 . 1 1 65 65 LYS CG C 13 24.873 0.000 . . . . . A 65 LYS CG . 25142 1 753 . 1 1 65 65 LYS CD C 13 29.230 0.000 . . . . . A 65 LYS CD . 25142 1 754 . 1 1 65 65 LYS CE C 13 38.925 0.000 . . . . . A 65 LYS CE . 25142 1 755 . 1 1 65 65 LYS N N 15 120.643 0.000 . . . . . A 65 LYS N . 25142 1 756 . 1 1 66 66 LYS H H 1 8.172 0.000 . . . . . A 66 LYS H . 25142 1 757 . 1 1 66 66 LYS HA H 1 4.271 0.000 . . . . . A 66 LYS HA . 25142 1 758 . 1 1 66 66 LYS HB2 H 1 1.792 0.000 . . . . . A 66 LYS HB2 . 25142 1 759 . 1 1 66 66 LYS HB3 H 1 1.792 0.000 . . . . . A 66 LYS HB3 . 25142 1 760 . 1 1 66 66 LYS HG2 H 1 1.445 0.000 . . . . . A 66 LYS HG2 . 25142 1 761 . 1 1 66 66 LYS HG3 H 1 1.445 0.000 . . . . . A 66 LYS HG3 . 25142 1 762 . 1 1 66 66 LYS C C 13 176.302 0.000 . . . . . A 66 LYS C . 25142 1 763 . 1 1 66 66 LYS CA C 13 57.491 0.000 . . . . . A 66 LYS CA . 25142 1 764 . 1 1 66 66 LYS CB C 13 32.620 0.000 . . . . . A 66 LYS CB . 25142 1 765 . 1 1 66 66 LYS CG C 13 24.891 0.000 . . . . . A 66 LYS CG . 25142 1 766 . 1 1 66 66 LYS N N 15 122.089 0.000 . . . . . A 66 LYS N . 25142 1 767 . 1 1 67 67 MET H H 1 8.056 0.000 . . . . . A 67 MET H . 25142 1 768 . 1 1 67 67 MET HA H 1 4.765 0.000 . . . . . A 67 MET HA . 25142 1 769 . 1 1 67 67 MET C C 13 175.047 0.000 . . . . . A 67 MET C . 25142 1 770 . 1 1 67 67 MET N N 15 119.918 0.000 . . . . . A 67 MET N . 25142 1 771 . 1 1 68 68 ASN H H 1 8.382 0.000 . . . . . A 68 ASN H . 25142 1 772 . 1 1 68 68 ASN C C 13 179.337 0.000 . . . . . A 68 ASN C . 25142 1 773 . 1 1 68 68 ASN N N 15 122.034 0.000 . . . . . A 68 ASN N . 25142 1 stop_ save_