data_18393 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18393 _Entry.Title ; The second dsRBD domain from A. thaliana DICER-LIKE 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-12 _Entry.Accession_date 2012-04-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _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 Paula Burdisso . . . 18393 2 Irina Suarez . . . 18393 3 Beate Bersch . . . 18393 4 Nicolas Bologna . . . 18393 5 Javier Palatnik . . . 18393 6 Jerome Boisbouvier . . . 18393 7 Rodolfo Rasia . . . 18393 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' . 18393 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DICER-LIKE . 18393 dsRBD . 18393 miRNA . 18393 'RNA binding' . 18393 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18393 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 309 18393 '15N chemical shifts' 67 18393 '1H chemical shifts' 475 18393 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 . . 2014-05-14 2012-04-12 update BMRB 'update entry citation' 18393 1 . . 2013-01-22 2012-04-12 original author 'original release' 18393 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LRS 'BMRB Entry Tracking System' 18393 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18393 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23194006 _Citation.Full_citation . _Citation.Title 'Second double-stranded RNA binding domain of dicer-like ribonuclease 1: structural and biochemical characterization.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 51 _Citation.Journal_issue 51 _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 10159 _Citation.Page_last 10166 _Citation.Year 2012 _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 Paula Burdisso . . . 18393 1 2 Irina Suarez . P. . 18393 1 3 Nicolas Bologna . G. . 18393 1 4 Javier Palatnik . F. . 18393 1 5 Beate Bersch . . . 18393 1 6 Rodolfo Rasia . M. . 18393 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18393 _Assembly.ID 1 _Assembly.Name dsRBD _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 dsRBD 1 $dsRBD A . yes native no no . . . 18393 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_dsRBD _Entity.Sf_category entity _Entity.Sf_framecode dsRBD _Entity.Entry_ID 18393 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name dsRBD _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 ; NDICLRKNWPMPSYRCVKEG GPAHAKRFTFGVRVNTSDRG WTDECIGEPMPSVKKAKDSA AVLLLELLNKT ; _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 71 _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 7961.290 _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 PDB 2LRS . "The Second Dsrbd Domain From A. Thaliana Dicer-like 1" . . . . . 100.00 71 100.00 100.00 9.82e-45 . . . . 18393 1 2 no DBJ BAD94606 . "CAF protein [Arabidopsis thaliana]" . . . . . 100.00 690 100.00 100.00 4.29e-44 . . . . 18393 1 3 no EMBL CDX90002 . "BnaA10g00800D [Brassica napus]" . . . . . 100.00 1812 98.59 98.59 1.26e-41 . . . . 18393 1 4 no EMBL CDY15207 . "BnaC05g00860D [Brassica napus]" . . . . . 100.00 1809 98.59 98.59 1.08e-41 . . . . 18393 1 5 no GB AAF03534 . "CAF protein [Arabidopsis thaliana]" . . . . . 100.00 1909 100.00 100.00 1.87e-42 . . . . 18393 1 6 no GB AAF26461 . "T25K16.4 [Arabidopsis thaliana]" . . . . . 100.00 2024 100.00 100.00 1.07e-42 . . . . 18393 1 7 no GB AAG38019 . "short integuments 1 [Arabidopsis thaliana]" . . . . . 100.00 1909 100.00 100.00 1.93e-42 . . . . 18393 1 8 no GB AAG38020 . "short integuments 1 [Arabidopsis thaliana]" . . . . . 100.00 1909 100.00 100.00 1.93e-42 . . . . 18393 1 9 no GB AEE27220 . "endoribonuclease Dicer-like 1 [Arabidopsis thaliana]" . . . . . 100.00 1909 100.00 100.00 1.93e-42 . . . . 18393 1 10 no REF NP_001184881 . "endoribonuclease Dicer-like 1 [Arabidopsis thaliana]" . . . . . 100.00 1910 100.00 100.00 1.93e-42 . . . . 18393 1 11 no REF NP_171612 . "endoribonuclease Dicer-like 1 [Arabidopsis thaliana]" . . . . . 100.00 1909 100.00 100.00 1.93e-42 . . . . 18393 1 12 no REF XP_002892088 . "hypothetical protein ARALYDRAFT_333551 [Arabidopsis lyrata subsp. lyrata]" . . . . . 100.00 1962 98.59 100.00 4.08e-42 . . . . 18393 1 13 no REF XP_006306578 . "hypothetical protein CARUB_v10008073mg [Capsella rubella]" . . . . . 100.00 1906 98.59 100.00 3.79e-42 . . . . 18393 1 14 no REF XP_006418369 . "hypothetical protein EUTSA_v10006531mg [Eutrema salsugineum]" . . . . . 100.00 1917 98.59 100.00 2.71e-42 . . . . 18393 1 15 no SP Q9SP32 . "RecName: Full=Endoribonuclease Dicer homolog 1; AltName: Full=Dicer-like protein 1; Short=AtDCL1; AltName: Full=Protein ABNORMA" . . . . . 100.00 1909 100.00 100.00 1.93e-42 . . . . 18393 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 15 ASN . 18393 1 2 16 ASP . 18393 1 3 17 ILE . 18393 1 4 18 CYS . 18393 1 5 19 LEU . 18393 1 6 20 ARG . 18393 1 7 21 LYS . 18393 1 8 22 ASN . 18393 1 9 23 TRP . 18393 1 10 24 PRO . 18393 1 11 25 MET . 18393 1 12 26 PRO . 18393 1 13 27 SER . 18393 1 14 28 TYR . 18393 1 15 29 ARG . 18393 1 16 30 CYS . 18393 1 17 31 VAL . 18393 1 18 32 LYS . 18393 1 19 33 GLU . 18393 1 20 34 GLY . 18393 1 21 35 GLY . 18393 1 22 36 PRO . 18393 1 23 37 ALA . 18393 1 24 38 HIS . 18393 1 25 39 ALA . 18393 1 26 40 LYS . 18393 1 27 41 ARG . 18393 1 28 42 PHE . 18393 1 29 43 THR . 18393 1 30 44 PHE . 18393 1 31 45 GLY . 18393 1 32 46 VAL . 18393 1 33 47 ARG . 18393 1 34 48 VAL . 18393 1 35 49 ASN . 18393 1 36 50 THR . 18393 1 37 51 SER . 18393 1 38 52 ASP . 18393 1 39 53 ARG . 18393 1 40 54 GLY . 18393 1 41 55 TRP . 18393 1 42 56 THR . 18393 1 43 57 ASP . 18393 1 44 58 GLU . 18393 1 45 59 CYS . 18393 1 46 60 ILE . 18393 1 47 61 GLY . 18393 1 48 62 GLU . 18393 1 49 63 PRO . 18393 1 50 64 MET . 18393 1 51 65 PRO . 18393 1 52 66 SER . 18393 1 53 67 VAL . 18393 1 54 68 LYS . 18393 1 55 69 LYS . 18393 1 56 70 ALA . 18393 1 57 71 LYS . 18393 1 58 72 ASP . 18393 1 59 73 SER . 18393 1 60 74 ALA . 18393 1 61 75 ALA . 18393 1 62 76 VAL . 18393 1 63 77 LEU . 18393 1 64 78 LEU . 18393 1 65 79 LEU . 18393 1 66 80 GLU . 18393 1 67 81 LEU . 18393 1 68 82 LEU . 18393 1 69 83 ASN . 18393 1 70 84 LYS . 18393 1 71 85 THR . 18393 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 . ASN 1 1 18393 1 . ASP 2 2 18393 1 . ILE 3 3 18393 1 . CYS 4 4 18393 1 . LEU 5 5 18393 1 . ARG 6 6 18393 1 . LYS 7 7 18393 1 . ASN 8 8 18393 1 . TRP 9 9 18393 1 . PRO 10 10 18393 1 . MET 11 11 18393 1 . PRO 12 12 18393 1 . SER 13 13 18393 1 . TYR 14 14 18393 1 . ARG 15 15 18393 1 . CYS 16 16 18393 1 . VAL 17 17 18393 1 . LYS 18 18 18393 1 . GLU 19 19 18393 1 . GLY 20 20 18393 1 . GLY 21 21 18393 1 . PRO 22 22 18393 1 . ALA 23 23 18393 1 . HIS 24 24 18393 1 . ALA 25 25 18393 1 . LYS 26 26 18393 1 . ARG 27 27 18393 1 . PHE 28 28 18393 1 . THR 29 29 18393 1 . PHE 30 30 18393 1 . GLY 31 31 18393 1 . VAL 32 32 18393 1 . ARG 33 33 18393 1 . VAL 34 34 18393 1 . ASN 35 35 18393 1 . THR 36 36 18393 1 . SER 37 37 18393 1 . ASP 38 38 18393 1 . ARG 39 39 18393 1 . GLY 40 40 18393 1 . TRP 41 41 18393 1 . THR 42 42 18393 1 . ASP 43 43 18393 1 . GLU 44 44 18393 1 . CYS 45 45 18393 1 . ILE 46 46 18393 1 . GLY 47 47 18393 1 . GLU 48 48 18393 1 . PRO 49 49 18393 1 . MET 50 50 18393 1 . PRO 51 51 18393 1 . SER 52 52 18393 1 . VAL 53 53 18393 1 . LYS 54 54 18393 1 . LYS 55 55 18393 1 . ALA 56 56 18393 1 . LYS 57 57 18393 1 . ASP 58 58 18393 1 . SER 59 59 18393 1 . ALA 60 60 18393 1 . ALA 61 61 18393 1 . VAL 62 62 18393 1 . LEU 63 63 18393 1 . LEU 64 64 18393 1 . LEU 65 65 18393 1 . GLU 66 66 18393 1 . LEU 67 67 18393 1 . LEU 68 68 18393 1 . ASN 69 69 18393 1 . LYS 70 70 18393 1 . THR 71 71 18393 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 18393 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $dsRBD . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 18393 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 18393 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $dsRBD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-TEV . . . . . . 18393 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18393 _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 dsRBD '[U-100% 13C; U-100% 15N]' . . 1 $dsRBD . . 800 . . mM . . . . 18393 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 18393 1 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 18393 1 4 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 18393 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18393 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18393 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18393 _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 dsRBD '[U-100% 13C; U-100% 15N]' . . 1 $dsRBD . . 600 . . uM . . . . 18393 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18393 2 3 C12/E5-Hexanol 'natural abundance' . . . . . . 5 . . % . . . . 18393 2 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18393 2 5 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 18393 2 6 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 18393 2 7 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18393 2 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18393 2 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18393 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18393 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 dsRBD 'natural abundance' . . 1 $dsRBD . . 800 . . mM . . . . 18393 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18393 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18393 3 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 18393 3 5 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 18393 3 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18393 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 18393 _Sample.ID 4 _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 dsRBD '[U-100% 13C; U-100% 15N]' . . 1 $dsRBD . . 600 . . mM . . . . 18393 4 2 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 18393 4 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18393 4 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 18393 4 5 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 18393 4 6 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18393 4 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18393 4 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18393 4 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 18393 _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 18393 1 pH 7 . pH 18393 1 pressure 1 . atm 18393 1 temperature 298 . K 18393 1 stop_ save_ save_sample_conditions_2and3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2and3 _Sample_condition_list.Entry_ID 18393 _Sample_condition_list.ID 2 _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' 0.75 . M 18393 2 pH 7 . pH 18393 2 pressure 1 . atm 18393 2 temperature 298 . K 18393 2 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18393 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18393 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18393 1 'structure solution' 18393 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18393 _Software.ID 2 _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' . . 18393 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18393 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18393 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18393 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18393 3 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 18393 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18393 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VXRS _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 18393 _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 Avance . 600 . . . 18393 1 2 spectrometer_2 Varian VXRS . 800 . . . 18393 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 18393 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18393 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18393 1 3 '3D HNCO' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2and3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18393 1 4 '3D HNCA' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2and3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18393 1 5 '3D HNCACB' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2and3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18393 1 6 '3D HN(CO)CA' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2and3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18393 1 7 '3D HN(CO)CACB' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2and3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18393 1 8 '3D HN(CA)CO' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2and3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18393 1 9 '3D HN(CA)HA' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2and3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18393 1 10 '3D H(CCO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2and3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18393 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2and3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18393 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18393 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18393 1 14 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2and3 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18393 1 15 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2and3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18393 1 16 '2D 15N-IPAP-HSQC' no . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_conditions_2and3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18393 1 17 '3D HNHA' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2and3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18393 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 18393 _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 water protons . . . . ppm 4.77 internal indirect 0.2514495 . . . . . . . . . 18393 1 H 1 water protons . . . . ppm 4.77 internal direct 1 . . . . . . . . . 18393 1 N 15 water protons . . . . ppm 4.77 internal indirect 0.1013291 . . . . . . . . . 18393 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 18393 _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 12 '3D 1H-15N NOESY' . . . 18393 1 13 '3D 1H-13C NOESY' . . . 18393 1 14 '2D 1H-1H NOESY' . . . 18393 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 ASN HA H 1 4.283 0.007 . 1 . . . A 15 ASN HA . 18393 1 2 . 1 1 1 1 ASN HB2 H 1 2.839 0.004 . 2 . . . A 15 ASN HB2 . 18393 1 3 . 1 1 1 1 ASN HB3 H 1 2.839 0.004 . 2 . . . A 15 ASN HB3 . 18393 1 4 . 1 1 1 1 ASN HD21 H 1 7.975 0.000 . 2 . . . A 15 ASN H1 . 18393 1 5 . 1 1 1 1 ASN HD22 H 1 7.975 0.000 . 2 . . . A 15 ASN H1 . 18393 1 6 . 1 1 1 1 ASN C C 13 177.218 0.000 . 1 . . . A 15 ASN C . 18393 1 7 . 1 1 1 1 ASN CA C 13 56.661 0.062 . 1 . . . A 15 ASN CA . 18393 1 8 . 1 1 1 1 ASN CB C 13 37.618 0.000 . 1 . . . A 15 ASN CB . 18393 1 9 . 1 1 1 1 ASN N N 15 119.786 0.000 . 1 . . . A 15 ASN N . 18393 1 10 . 1 1 2 2 ASP H H 1 8.320 0.000 . 1 . . . A 16 ASP H . 18393 1 11 . 1 1 2 2 ASP HA H 1 4.340 0.005 . 1 . . . A 16 ASP HA . 18393 1 12 . 1 1 2 2 ASP HB2 H 1 2.877 0.003 . 2 . . . A 16 ASP HB2 . 18393 1 13 . 1 1 2 2 ASP HB3 H 1 2.782 0.000 . 2 . . . A 16 ASP HB3 . 18393 1 14 . 1 1 2 2 ASP C C 13 178.935 0.000 . 1 . . . A 16 ASP C . 18393 1 15 . 1 1 2 2 ASP CA C 13 57.708 0.137 . 1 . . . A 16 ASP CA . 18393 1 16 . 1 1 2 2 ASP CB C 13 40.681 0.000 . 1 . . . A 16 ASP CB . 18393 1 17 . 1 1 2 2 ASP N N 15 119.381 0.000 . 1 . . . A 16 ASP N . 18393 1 18 . 1 1 3 3 ILE H H 1 7.793 0.006 . 1 . . . A 17 ILE H . 18393 1 19 . 1 1 3 3 ILE HA H 1 3.546 0.005 . 1 . . . A 17 ILE HA . 18393 1 20 . 1 1 3 3 ILE HB H 1 1.964 0.005 . 1 . . . A 17 ILE HB . 18393 1 21 . 1 1 3 3 ILE HG12 H 1 1.621 0.002 . 2 . . . A 17 ILE HG12 . 18393 1 22 . 1 1 3 3 ILE HG13 H 1 1.035 0.002 . 2 . . . A 17 ILE HG13 . 18393 1 23 . 1 1 3 3 ILE HG21 H 1 1.128 0.000 . 1 . . . A 17 ILE HG21 . 18393 1 24 . 1 1 3 3 ILE HG22 H 1 1.128 0.000 . 1 . . . A 17 ILE HG22 . 18393 1 25 . 1 1 3 3 ILE HG23 H 1 1.128 0.000 . 1 . . . A 17 ILE HG23 . 18393 1 26 . 1 1 3 3 ILE HD11 H 1 0.727 0.006 . 1 . . . A 17 ILE HD11 . 18393 1 27 . 1 1 3 3 ILE HD12 H 1 0.727 0.006 . 1 . . . A 17 ILE HD12 . 18393 1 28 . 1 1 3 3 ILE HD13 H 1 0.727 0.006 . 1 . . . A 17 ILE HD13 . 18393 1 29 . 1 1 3 3 ILE C C 13 177.116 0.000 . 1 . . . A 17 ILE C . 18393 1 30 . 1 1 3 3 ILE CA C 13 65.233 0.050 . 1 . . . A 17 ILE CA . 18393 1 31 . 1 1 3 3 ILE CB C 13 37.701 0.272 . 1 . . . A 17 ILE CB . 18393 1 32 . 1 1 3 3 ILE CG1 C 13 29.363 0.059 . 1 . . . A 17 ILE CG1 . 18393 1 33 . 1 1 3 3 ILE CG2 C 13 17.088 0.000 . 1 . . . A 17 ILE CG2 . 18393 1 34 . 1 1 3 3 ILE CD1 C 13 13.742 0.000 . 1 . . . A 17 ILE CD1 . 18393 1 35 . 1 1 3 3 ILE N N 15 121.475 0.006 . 1 . . . A 17 ILE N . 18393 1 36 . 1 1 4 4 CYS H H 1 7.823 0.007 . 1 . . . A 18 CYS H . 18393 1 37 . 1 1 4 4 CYS HA H 1 3.942 0.009 . 1 . . . A 18 CYS HA . 18393 1 38 . 1 1 4 4 CYS HB2 H 1 3.248 0.004 . 2 . . . A 18 CYS HB2 . 18393 1 39 . 1 1 4 4 CYS HB3 H 1 2.979 0.002 . 2 . . . A 18 CYS HB3 . 18393 1 40 . 1 1 4 4 CYS C C 13 176.671 0.000 . 1 . . . A 18 CYS C . 18393 1 41 . 1 1 4 4 CYS CA C 13 64.624 0.000 . 1 . . . A 18 CYS CA . 18393 1 42 . 1 1 4 4 CYS CB C 13 25.965 0.096 . 1 . . . A 18 CYS CB . 18393 1 43 . 1 1 4 4 CYS N N 15 117.506 0.007 . 1 . . . A 18 CYS N . 18393 1 44 . 1 1 5 5 LEU H H 1 8.101 0.005 . 1 . . . A 19 LEU H . 18393 1 45 . 1 1 5 5 LEU HA H 1 4.096 0.005 . 1 . . . A 19 LEU HA . 18393 1 46 . 1 1 5 5 LEU HB2 H 1 1.762 0.013 . 2 . . . A 19 LEU HB2 . 18393 1 47 . 1 1 5 5 LEU HB3 H 1 1.614 0.009 . 2 . . . A 19 LEU HB3 . 18393 1 48 . 1 1 5 5 LEU HD11 H 1 0.888 0.004 . 2 . . . A 19 LEU HD11 . 18393 1 49 . 1 1 5 5 LEU HD12 H 1 0.888 0.004 . 2 . . . A 19 LEU HD12 . 18393 1 50 . 1 1 5 5 LEU HD13 H 1 0.888 0.004 . 2 . . . A 19 LEU HD13 . 18393 1 51 . 1 1 5 5 LEU HD21 H 1 0.888 0.004 . 2 . . . A 19 LEU HD21 . 18393 1 52 . 1 1 5 5 LEU HD22 H 1 0.888 0.004 . 2 . . . A 19 LEU HD22 . 18393 1 53 . 1 1 5 5 LEU HD23 H 1 0.888 0.004 . 2 . . . A 19 LEU HD23 . 18393 1 54 . 1 1 5 5 LEU C C 13 180.698 0.000 . 1 . . . A 19 LEU C . 18393 1 55 . 1 1 5 5 LEU CA C 13 57.937 0.148 . 1 . . . A 19 LEU CA . 18393 1 56 . 1 1 5 5 LEU CB C 13 42.066 0.116 . 1 . . . A 19 LEU CB . 18393 1 57 . 1 1 5 5 LEU CG C 13 27.311 0.000 . 1 . . . A 19 LEU CG . 18393 1 58 . 1 1 5 5 LEU CD1 C 13 24.706 0.000 . 2 . . . A 19 LEU CD1 . 18393 1 59 . 1 1 5 5 LEU CD2 C 13 24.706 0.000 . 2 . . . A 19 LEU CD2 . 18393 1 60 . 1 1 5 5 LEU N N 15 118.832 0.088 . 1 . . . A 19 LEU N . 18393 1 61 . 1 1 6 6 ARG H H 1 7.934 0.005 . 1 . . . A 20 ARG H . 18393 1 62 . 1 1 6 6 ARG HA H 1 3.934 0.007 . 1 . . . A 20 ARG HA . 18393 1 63 . 1 1 6 6 ARG HB2 H 1 1.810 0.001 . 2 . . . A 20 ARG HB2 . 18393 1 64 . 1 1 6 6 ARG HB3 H 1 1.732 0.001 . 2 . . . A 20 ARG HB3 . 18393 1 65 . 1 1 6 6 ARG HG2 H 1 1.601 0.009 . 2 . . . A 20 ARG HG2 . 18393 1 66 . 1 1 6 6 ARG HG3 H 1 1.601 0.009 . 2 . . . A 20 ARG HG3 . 18393 1 67 . 1 1 6 6 ARG HD2 H 1 3.078 0.002 . 2 . . . A 20 ARG HD2 . 18393 1 68 . 1 1 6 6 ARG HD3 H 1 3.078 0.002 . 2 . . . A 20 ARG HD3 . 18393 1 69 . 1 1 6 6 ARG C C 13 178.169 0.000 . 1 . . . A 20 ARG C . 18393 1 70 . 1 1 6 6 ARG CA C 13 58.875 0.051 . 1 . . . A 20 ARG CA . 18393 1 71 . 1 1 6 6 ARG CB C 13 29.980 0.127 . 1 . . . A 20 ARG CB . 18393 1 72 . 1 1 6 6 ARG CG C 13 27.461 0.080 . 1 . . . A 20 ARG CG . 18393 1 73 . 1 1 6 6 ARG CD C 13 43.463 0.000 . 1 . . . A 20 ARG CD . 18393 1 74 . 1 1 6 6 ARG N N 15 119.443 0.013 . 1 . . . A 20 ARG N . 18393 1 75 . 1 1 7 7 LYS H H 1 7.553 0.003 . 1 . . . A 21 LYS H . 18393 1 76 . 1 1 7 7 LYS HA H 1 3.773 0.003 . 1 . . . A 21 LYS HA . 18393 1 77 . 1 1 7 7 LYS HB2 H 1 0.235 0.005 . 2 . . . A 21 LYS HB2 . 18393 1 78 . 1 1 7 7 LYS HB3 H 1 0.193 0.009 . 2 . . . A 21 LYS HB3 . 18393 1 79 . 1 1 7 7 LYS HG2 H 1 0.762 0.001 . 2 . . . A 21 LYS HG2 . 18393 1 80 . 1 1 7 7 LYS HG3 H 1 0.164 0.011 . 2 . . . A 21 LYS HG3 . 18393 1 81 . 1 1 7 7 LYS HD2 H 1 0.964 0.004 . 2 . . . A 21 LYS HD2 . 18393 1 82 . 1 1 7 7 LYS HD3 H 1 0.750 0.006 . 2 . . . A 21 LYS HD3 . 18393 1 83 . 1 1 7 7 LYS HE2 H 1 2.624 0.003 . 2 . . . A 21 LYS HE2 . 18393 1 84 . 1 1 7 7 LYS HE3 H 1 2.560 0.002 . 2 . . . A 21 LYS HE3 . 18393 1 85 . 1 1 7 7 LYS C C 13 175.224 0.000 . 1 . . . A 21 LYS C . 18393 1 86 . 1 1 7 7 LYS CA C 13 55.078 0.028 . 1 . . . A 21 LYS CA . 18393 1 87 . 1 1 7 7 LYS CB C 13 30.517 0.103 . 1 . . . A 21 LYS CB . 18393 1 88 . 1 1 7 7 LYS CG C 13 24.489 0.114 . 1 . . . A 21 LYS CG . 18393 1 89 . 1 1 7 7 LYS CD C 13 27.978 0.076 . 1 . . . A 21 LYS CD . 18393 1 90 . 1 1 7 7 LYS CE C 13 42.068 0.044 . 1 . . . A 21 LYS CE . 18393 1 91 . 1 1 7 7 LYS N N 15 116.636 0.013 . 1 . . . A 21 LYS N . 18393 1 92 . 1 1 8 8 ASN H H 1 7.640 0.003 . 1 . . . A 22 ASN H . 18393 1 93 . 1 1 8 8 ASN HA H 1 4.302 0.002 . 1 . . . A 22 ASN HA . 18393 1 94 . 1 1 8 8 ASN HB2 H 1 3.152 0.003 . 2 . . . A 22 ASN HB2 . 18393 1 95 . 1 1 8 8 ASN HB3 H 1 2.766 0.003 . 2 . . . A 22 ASN HB3 . 18393 1 96 . 1 1 8 8 ASN C C 13 174.073 0.000 . 1 . . . A 22 ASN C . 18393 1 97 . 1 1 8 8 ASN CA C 13 54.433 0.032 . 1 . . . A 22 ASN CA . 18393 1 98 . 1 1 8 8 ASN CB C 13 37.017 0.102 . 1 . . . A 22 ASN CB . 18393 1 99 . 1 1 8 8 ASN N N 15 114.898 0.005 . 1 . . . A 22 ASN N . 18393 1 100 . 1 1 9 9 TRP H H 1 8.692 0.003 . 1 . . . A 23 TRP H . 18393 1 101 . 1 1 9 9 TRP HA H 1 5.241 0.004 . 1 . . . A 23 TRP HA . 18393 1 102 . 1 1 9 9 TRP HB2 H 1 3.067 0.008 . 2 . . . A 23 TRP HB2 . 18393 1 103 . 1 1 9 9 TRP HB3 H 1 2.932 0.002 . 2 . . . A 23 TRP HB3 . 18393 1 104 . 1 1 9 9 TRP HD1 H 1 6.956 0.006 . 1 . . . A 23 TRP HD1 . 18393 1 105 . 1 1 9 9 TRP HE1 H 1 10.072 0.002 . 1 . . . A 23 TRP HE1 . 18393 1 106 . 1 1 9 9 TRP HE3 H 1 7.678 0.004 . 1 . . . A 23 TRP HE3 . 18393 1 107 . 1 1 9 9 TRP HZ2 H 1 7.628 0.008 . 1 . . . A 23 TRP HZ2 . 18393 1 108 . 1 1 9 9 TRP HZ3 H 1 6.804 0.000 . 1 . . . A 23 TRP HZ3 . 18393 1 109 . 1 1 9 9 TRP HH2 H 1 7.202 0.000 . 1 . . . A 23 TRP HH2 . 18393 1 110 . 1 1 9 9 TRP C C 13 173.601 0.000 . 1 . . . A 23 TRP C . 18393 1 111 . 1 1 9 9 TRP CA C 13 51.820 0.021 . 1 . . . A 23 TRP CA . 18393 1 112 . 1 1 9 9 TRP CB C 13 29.574 0.198 . 1 . . . A 23 TRP CB . 18393 1 113 . 1 1 9 9 TRP CD1 C 13 123.547 0.000 . 1 . . . A 23 TRP CD1 . 18393 1 114 . 1 1 9 9 TRP CE3 C 13 121.241 0.000 . 1 . . . A 23 TRP CE3 . 18393 1 115 . 1 1 9 9 TRP CZ2 C 13 115.158 0.000 . 1 . . . A 23 TRP CZ2 . 18393 1 116 . 1 1 9 9 TRP CZ3 C 13 122.002 0.000 . 1 . . . A 23 TRP CZ3 . 18393 1 117 . 1 1 9 9 TRP CH2 C 13 125.178 0.000 . 1 . . . A 23 TRP CH2 . 18393 1 118 . 1 1 9 9 TRP N N 15 120.563 0.004 . 1 . . . A 23 TRP N . 18393 1 119 . 1 1 9 9 TRP NE1 N 15 125.172 0.006 . 1 . . . A 23 TRP NE1 . 18393 1 120 . 1 1 10 10 PRO HA H 1 4.459 0.019 . 1 . . . A 24 PRO HA . 18393 1 121 . 1 1 10 10 PRO HB2 H 1 2.297 0.004 . 2 . . . A 24 PRO HB2 . 18393 1 122 . 1 1 10 10 PRO HB3 H 1 1.914 0.002 . 2 . . . A 24 PRO HB3 . 18393 1 123 . 1 1 10 10 PRO HG2 H 1 1.914 0.019 . 2 . . . A 24 PRO HG2 . 18393 1 124 . 1 1 10 10 PRO HG3 H 1 1.914 0.019 . 2 . . . A 24 PRO HG3 . 18393 1 125 . 1 1 10 10 PRO HD2 H 1 3.679 0.008 . 2 . . . A 24 PRO HD2 . 18393 1 126 . 1 1 10 10 PRO HD3 H 1 3.628 0.003 . 2 . . . A 24 PRO HD3 . 18393 1 127 . 1 1 10 10 PRO C C 13 175.391 0.000 . 1 . . . A 24 PRO C . 18393 1 128 . 1 1 10 10 PRO CA C 13 62.098 0.037 . 1 . . . A 24 PRO CA . 18393 1 129 . 1 1 10 10 PRO CB C 13 31.582 0.142 . 1 . . . A 24 PRO CB . 18393 1 130 . 1 1 10 10 PRO CG C 13 28.114 0.423 . 1 . . . A 24 PRO CG . 18393 1 131 . 1 1 10 10 PRO CD C 13 49.853 0.086 . 1 . . . A 24 PRO CD . 18393 1 132 . 1 1 11 11 MET H H 1 8.201 0.006 . 1 . . . A 25 MET H . 18393 1 133 . 1 1 11 11 MET HA H 1 4.751 0.011 . 1 . . . A 25 MET HA . 18393 1 134 . 1 1 11 11 MET HB2 H 1 2.105 0.011 . 2 . . . A 25 MET HB2 . 18393 1 135 . 1 1 11 11 MET HB3 H 1 1.988 0.009 . 2 . . . A 25 MET HB3 . 18393 1 136 . 1 1 11 11 MET HG2 H 1 2.986 0.003 . 2 . . . A 25 MET HG2 . 18393 1 137 . 1 1 11 11 MET HG3 H 1 2.662 0.012 . 2 . . . A 25 MET HG3 . 18393 1 138 . 1 1 11 11 MET HE1 H 1 2.158 0.005 . 1 . . . A 25 MET HE1 . 18393 1 139 . 1 1 11 11 MET HE2 H 1 2.158 0.005 . 1 . . . A 25 MET HE2 . 18393 1 140 . 1 1 11 11 MET HE3 H 1 2.158 0.005 . 1 . . . A 25 MET HE3 . 18393 1 141 . 1 1 11 11 MET C C 13 175.240 0.000 . 1 . . . A 25 MET C . 18393 1 142 . 1 1 11 11 MET CA C 13 53.800 0.000 . 1 . . . A 25 MET CA . 18393 1 143 . 1 1 11 11 MET CB C 13 30.695 0.146 . 1 . . . A 25 MET CB . 18393 1 144 . 1 1 11 11 MET CG C 13 33.383 0.172 . 1 . . . A 25 MET CG . 18393 1 145 . 1 1 11 11 MET CE C 13 18.947 0.048 . 1 . . . A 25 MET CE . 18393 1 146 . 1 1 11 11 MET N N 15 116.562 0.016 . 1 . . . A 25 MET N . 18393 1 147 . 1 1 12 12 PRO HA H 1 4.324 0.005 . 1 . . . A 26 PRO HA . 18393 1 148 . 1 1 12 12 PRO HB2 H 1 1.698 0.003 . 2 . . . A 26 PRO HB2 . 18393 1 149 . 1 1 12 12 PRO HB3 H 1 1.496 0.005 . 2 . . . A 26 PRO HB3 . 18393 1 150 . 1 1 12 12 PRO HG2 H 1 2.129 0.000 . 2 . . . A 26 PRO HG2 . 18393 1 151 . 1 1 12 12 PRO HG3 H 1 1.940 0.000 . 2 . . . A 26 PRO HG3 . 18393 1 152 . 1 1 12 12 PRO HD2 H 1 3.701 0.007 . 2 . . . A 26 PRO HD2 . 18393 1 153 . 1 1 12 12 PRO HD3 H 1 4.289 0.002 . 2 . . . A 26 PRO HD3 . 18393 1 154 . 1 1 12 12 PRO C C 13 174.890 0.000 . 1 . . . A 26 PRO C . 18393 1 155 . 1 1 12 12 PRO CA C 13 63.481 0.031 . 1 . . . A 26 PRO CA . 18393 1 156 . 1 1 12 12 PRO CB C 13 32.725 0.116 . 1 . . . A 26 PRO CB . 18393 1 157 . 1 1 12 12 PRO CG C 13 27.887 0.000 . 1 . . . A 26 PRO CG . 18393 1 158 . 1 1 12 12 PRO CD C 13 51.090 0.024 . 1 . . . A 26 PRO CD . 18393 1 159 . 1 1 13 13 SER H H 1 8.555 0.003 . 1 . . . A 27 SER H . 18393 1 160 . 1 1 13 13 SER HA H 1 4.781 0.004 . 1 . . . A 27 SER HA . 18393 1 161 . 1 1 13 13 SER HB2 H 1 3.864 0.006 . 2 . . . A 27 SER HB2 . 18393 1 162 . 1 1 13 13 SER HB3 H 1 3.812 0.003 . 2 . . . A 27 SER HB3 . 18393 1 163 . 1 1 13 13 SER C C 13 173.365 0.000 . 1 . . . A 27 SER C . 18393 1 164 . 1 1 13 13 SER CA C 13 57.219 0.000 . 1 . . . A 27 SER CA . 18393 1 165 . 1 1 13 13 SER CB C 13 64.227 0.074 . 1 . . . A 27 SER CB . 18393 1 166 . 1 1 13 13 SER N N 15 116.608 0.005 . 1 . . . A 27 SER N . 18393 1 167 . 1 1 14 14 TYR H H 1 8.939 0.002 . 1 . . . A 28 TYR H . 18393 1 168 . 1 1 14 14 TYR HA H 1 5.621 0.004 . 1 . . . A 28 TYR HA . 18393 1 169 . 1 1 14 14 TYR HB2 H 1 3.027 0.002 . 2 . . . A 28 TYR HB2 . 18393 1 170 . 1 1 14 14 TYR HB3 H 1 3.027 0.002 . 2 . . . A 28 TYR HB3 . 18393 1 171 . 1 1 14 14 TYR HD1 H 1 7.085 0.008 . 3 . . . A 28 TYR HD1 . 18393 1 172 . 1 1 14 14 TYR HD2 H 1 7.085 0.008 . 3 . . . A 28 TYR HD2 . 18393 1 173 . 1 1 14 14 TYR HE1 H 1 6.794 0.003 . 3 . . . A 28 TYR HE1 . 18393 1 174 . 1 1 14 14 TYR HE2 H 1 6.794 0.003 . 3 . . . A 28 TYR HE2 . 18393 1 175 . 1 1 14 14 TYR C C 13 176.175 0.000 . 1 . . . A 28 TYR C . 18393 1 176 . 1 1 14 14 TYR CA C 13 57.563 0.062 . 1 . . . A 28 TYR CA . 18393 1 177 . 1 1 14 14 TYR CB C 13 41.861 0.066 . 1 . . . A 28 TYR CB . 18393 1 178 . 1 1 14 14 TYR CD1 C 13 133.173 0.000 . 3 . . . A 28 TYR CD1 . 18393 1 179 . 1 1 14 14 TYR CD2 C 13 133.173 0.000 . 3 . . . A 28 TYR CD2 . 18393 1 180 . 1 1 14 14 TYR CE1 C 13 118.084 0.000 . 3 . . . A 28 TYR CE1 . 18393 1 181 . 1 1 14 14 TYR CE2 C 13 118.084 0.000 . 3 . . . A 28 TYR CE2 . 18393 1 182 . 1 1 14 14 TYR N N 15 125.256 0.013 . 1 . . . A 28 TYR N . 18393 1 183 . 1 1 15 15 ARG H H 1 9.159 0.005 . 1 . . . A 29 ARG H . 18393 1 184 . 1 1 15 15 ARG HA H 1 4.542 0.007 . 1 . . . A 29 ARG HA . 18393 1 185 . 1 1 15 15 ARG HB2 H 1 1.711 0.005 . 2 . . . A 29 ARG HB2 . 18393 1 186 . 1 1 15 15 ARG HB3 H 1 1.480 0.005 . 2 . . . A 29 ARG HB3 . 18393 1 187 . 1 1 15 15 ARG HG2 H 1 1.247 0.012 . 2 . . . A 29 ARG HG2 . 18393 1 188 . 1 1 15 15 ARG HG3 H 1 1.076 0.004 . 2 . . . A 29 ARG HG3 . 18393 1 189 . 1 1 15 15 ARG HD2 H 1 3.084 0.007 . 2 . . . A 29 ARG HD2 . 18393 1 190 . 1 1 15 15 ARG HD3 H 1 2.748 0.006 . 2 . . . A 29 ARG HD3 . 18393 1 191 . 1 1 15 15 ARG C C 13 173.134 0.000 . 1 . . . A 29 ARG C . 18393 1 192 . 1 1 15 15 ARG CA C 13 54.820 0.000 . 1 . . . A 29 ARG CA . 18393 1 193 . 1 1 15 15 ARG CB C 13 34.721 0.095 . 1 . . . A 29 ARG CB . 18393 1 194 . 1 1 15 15 ARG CG C 13 27.359 0.025 . 1 . . . A 29 ARG CG . 18393 1 195 . 1 1 15 15 ARG CD C 13 43.513 0.186 . 1 . . . A 29 ARG CD . 18393 1 196 . 1 1 15 15 ARG N N 15 120.540 0.009 . 1 . . . A 29 ARG N . 18393 1 197 . 1 1 16 16 CYS HA H 1 2.897 0.005 . 1 . . . A 30 CYS HA . 18393 1 198 . 1 1 16 16 CYS HB2 H 1 2.627 0.005 . 2 . . . A 30 CYS HB2 . 18393 1 199 . 1 1 16 16 CYS HB3 H 1 2.259 0.004 . 2 . . . A 30 CYS HB3 . 18393 1 200 . 1 1 16 16 CYS C C 13 174.180 0.000 . 1 . . . A 30 CYS C . 18393 1 201 . 1 1 16 16 CYS CA C 13 58.719 0.019 . 1 . . . A 30 CYS CA . 18393 1 202 . 1 1 16 16 CYS CB C 13 26.106 0.036 . 1 . . . A 30 CYS CB . 18393 1 203 . 1 1 17 17 VAL H H 1 8.659 0.003 . 1 . . . A 31 VAL H . 18393 1 204 . 1 1 17 17 VAL HA H 1 3.651 0.003 . 1 . . . A 31 VAL HA . 18393 1 205 . 1 1 17 17 VAL HB H 1 1.594 0.012 . 1 . . . A 31 VAL HB . 18393 1 206 . 1 1 17 17 VAL HG11 H 1 0.735 0.044 . 2 . . . A 31 VAL HG11 . 18393 1 207 . 1 1 17 17 VAL HG12 H 1 0.735 0.044 . 2 . . . A 31 VAL HG12 . 18393 1 208 . 1 1 17 17 VAL HG13 H 1 0.735 0.044 . 2 . . . A 31 VAL HG13 . 18393 1 209 . 1 1 17 17 VAL HG21 H 1 0.795 0.005 . 2 . . . A 31 VAL HG21 . 18393 1 210 . 1 1 17 17 VAL HG22 H 1 0.795 0.005 . 2 . . . A 31 VAL HG22 . 18393 1 211 . 1 1 17 17 VAL HG23 H 1 0.795 0.005 . 2 . . . A 31 VAL HG23 . 18393 1 212 . 1 1 17 17 VAL C C 13 175.711 0.000 . 1 . . . A 31 VAL C . 18393 1 213 . 1 1 17 17 VAL CA C 13 64.086 0.068 . 1 . . . A 31 VAL CA . 18393 1 214 . 1 1 17 17 VAL CB C 13 32.512 0.153 . 1 . . . A 31 VAL CB . 18393 1 215 . 1 1 17 17 VAL CG1 C 13 21.207 0.277 . 2 . . . A 31 VAL CG1 . 18393 1 216 . 1 1 17 17 VAL CG2 C 13 20.708 0.046 . 2 . . . A 31 VAL CG2 . 18393 1 217 . 1 1 17 17 VAL N N 15 132.259 0.019 . 1 . . . A 31 VAL N . 18393 1 218 . 1 1 18 18 LYS H H 1 7.673 0.006 . 1 . . . A 32 LYS H . 18393 1 219 . 1 1 18 18 LYS HA H 1 4.360 0.004 . 1 . . . A 32 LYS HA . 18393 1 220 . 1 1 18 18 LYS HB2 H 1 1.642 0.006 . 2 . . . A 32 LYS HB2 . 18393 1 221 . 1 1 18 18 LYS HB3 H 1 1.611 0.011 . 2 . . . A 32 LYS HB3 . 18393 1 222 . 1 1 18 18 LYS HG2 H 1 1.251 0.009 . 2 . . . A 32 LYS HG2 . 18393 1 223 . 1 1 18 18 LYS HG3 H 1 1.133 0.005 . 2 . . . A 32 LYS HG3 . 18393 1 224 . 1 1 18 18 LYS HD2 H 1 1.562 0.005 . 2 . . . A 32 LYS HD2 . 18393 1 225 . 1 1 18 18 LYS HD3 H 1 1.562 0.005 . 2 . . . A 32 LYS HD3 . 18393 1 226 . 1 1 18 18 LYS HE2 H 1 2.898 0.000 . 2 . . . A 32 LYS HE2 . 18393 1 227 . 1 1 18 18 LYS HE3 H 1 2.849 0.006 . 2 . . . A 32 LYS HE3 . 18393 1 228 . 1 1 18 18 LYS C C 13 173.015 0.000 . 1 . . . A 32 LYS C . 18393 1 229 . 1 1 18 18 LYS CA C 13 56.402 0.083 . 1 . . . A 32 LYS CA . 18393 1 230 . 1 1 18 18 LYS CB C 13 36.004 0.167 . 1 . . . A 32 LYS CB . 18393 1 231 . 1 1 18 18 LYS CG C 13 24.709 0.071 . 1 . . . A 32 LYS CG . 18393 1 232 . 1 1 18 18 LYS CD C 13 29.206 0.000 . 1 . . . A 32 LYS CD . 18393 1 233 . 1 1 18 18 LYS CE C 13 42.155 0.036 . 1 . . . A 32 LYS CE . 18393 1 234 . 1 1 18 18 LYS N N 15 118.630 0.023 . 1 . . . A 32 LYS N . 18393 1 235 . 1 1 19 19 GLU H H 1 8.431 0.005 . 1 . . . A 33 GLU H . 18393 1 236 . 1 1 19 19 GLU HA H 1 4.853 0.004 . 1 . . . A 33 GLU HA . 18393 1 237 . 1 1 19 19 GLU HB2 H 1 1.816 0.004 . 2 . . . A 33 GLU HB2 . 18393 1 238 . 1 1 19 19 GLU HB3 H 1 1.816 0.004 . 2 . . . A 33 GLU HB3 . 18393 1 239 . 1 1 19 19 GLU HG2 H 1 1.894 0.000 . 2 . . . A 33 GLU HG2 . 18393 1 240 . 1 1 19 19 GLU HG3 H 1 1.894 0.000 . 2 . . . A 33 GLU HG3 . 18393 1 241 . 1 1 19 19 GLU C C 13 175.060 0.000 . 1 . . . A 33 GLU C . 18393 1 242 . 1 1 19 19 GLU CA C 13 54.564 0.088 . 1 . . . A 33 GLU CA . 18393 1 243 . 1 1 19 19 GLU CB C 13 32.137 0.043 . 1 . . . A 33 GLU CB . 18393 1 244 . 1 1 19 19 GLU CG C 13 36.349 0.000 . 1 . . . A 33 GLU CG . 18393 1 245 . 1 1 19 19 GLU N N 15 125.800 0.007 . 1 . . . A 33 GLU N . 18393 1 246 . 1 1 20 20 GLY H H 1 8.345 0.002 . 1 . . . A 34 GLY H . 18393 1 247 . 1 1 20 20 GLY HA2 H 1 4.293 0.006 . 2 . . . A 34 GLY HA2 . 18393 1 248 . 1 1 20 20 GLY HA3 H 1 3.798 0.002 . 2 . . . A 34 GLY HA3 . 18393 1 249 . 1 1 20 20 GLY C C 13 172.318 0.000 . 1 . . . A 34 GLY C . 18393 1 250 . 1 1 20 20 GLY CA C 13 44.641 0.053 . 1 . . . A 34 GLY CA . 18393 1 251 . 1 1 20 20 GLY N N 15 111.079 0.002 . 1 . . . A 34 GLY N . 18393 1 252 . 1 1 21 21 GLY H H 1 8.184 0.000 . 1 . . . A 35 GLY H . 18393 1 253 . 1 1 21 21 GLY HA2 H 1 4.412 0.002 . 2 . . . A 35 GLY HA2 . 18393 1 254 . 1 1 21 21 GLY HA3 H 1 3.736 0.001 . 2 . . . A 35 GLY HA3 . 18393 1 255 . 1 1 21 21 GLY C C 13 171.757 0.000 . 1 . . . A 35 GLY C . 18393 1 256 . 1 1 21 21 GLY CA C 13 43.737 0.020 . 1 . . . A 35 GLY CA . 18393 1 257 . 1 1 21 21 GLY N N 15 107.395 0.000 . 1 . . . A 35 GLY N . 18393 1 258 . 1 1 22 22 PRO HA H 1 4.476 0.014 . 1 . . . A 36 PRO HA . 18393 1 259 . 1 1 22 22 PRO HB2 H 1 2.205 0.005 . 2 . . . A 36 PRO HB2 . 18393 1 260 . 1 1 22 22 PRO HB3 H 1 1.786 0.004 . 2 . . . A 36 PRO HB3 . 18393 1 261 . 1 1 22 22 PRO HG2 H 1 1.892 0.009 . 2 . . . A 36 PRO HG2 . 18393 1 262 . 1 1 22 22 PRO HG3 H 1 1.892 0.009 . 2 . . . A 36 PRO HG3 . 18393 1 263 . 1 1 22 22 PRO HD2 H 1 3.404 0.003 . 2 . . . A 36 PRO HD2 . 18393 1 264 . 1 1 22 22 PRO HD3 H 1 3.404 0.003 . 2 . . . A 36 PRO HD3 . 18393 1 265 . 1 1 22 22 PRO C C 13 177.171 0.000 . 1 . . . A 36 PRO C . 18393 1 266 . 1 1 22 22 PRO CA C 13 62.263 0.042 . 1 . . . A 36 PRO CA . 18393 1 267 . 1 1 22 22 PRO CB C 13 32.261 0.166 . 1 . . . A 36 PRO CB . 18393 1 268 . 1 1 22 22 PRO CG C 13 27.150 0.552 . 1 . . . A 36 PRO CG . 18393 1 269 . 1 1 22 22 PRO CD C 13 48.632 0.050 . 1 . . . A 36 PRO CD . 18393 1 270 . 1 1 23 23 ALA H H 1 8.580 0.003 . 1 . . . A 37 ALA H . 18393 1 271 . 1 1 23 23 ALA HA H 1 3.823 0.003 . 1 . . . A 37 ALA HA . 18393 1 272 . 1 1 23 23 ALA HB1 H 1 1.412 0.004 . 1 . . . A 37 ALA HB1 . 18393 1 273 . 1 1 23 23 ALA HB2 H 1 1.412 0.004 . 1 . . . A 37 ALA HB2 . 18393 1 274 . 1 1 23 23 ALA HB3 H 1 1.412 0.004 . 1 . . . A 37 ALA HB3 . 18393 1 275 . 1 1 23 23 ALA C C 13 178.547 0.000 . 1 . . . A 37 ALA C . 18393 1 276 . 1 1 23 23 ALA CA C 13 55.493 0.000 . 1 . . . A 37 ALA CA . 18393 1 277 . 1 1 23 23 ALA CB C 13 18.551 0.044 . 1 . . . A 37 ALA CB . 18393 1 278 . 1 1 23 23 ALA N N 15 120.595 0.017 . 1 . . . A 37 ALA N . 18393 1 279 . 1 1 24 24 HIS HA H 1 4.615 0.002 . 1 . . . A 38 HIS HA . 18393 1 280 . 1 1 24 24 HIS HB2 H 1 3.340 0.004 . 2 . . . A 38 HIS HB2 . 18393 1 281 . 1 1 24 24 HIS HB3 H 1 2.932 0.002 . 2 . . . A 38 HIS HB3 . 18393 1 282 . 1 1 24 24 HIS HD2 H 1 6.917 0.004 . 1 . . . A 38 HIS HD2 . 18393 1 283 . 1 1 24 24 HIS HE1 H 1 7.721 0.000 . 1 . . . A 38 HIS HE1 . 18393 1 284 . 1 1 24 24 HIS C C 13 174.890 0.000 . 1 . . . A 38 HIS C . 18393 1 285 . 1 1 24 24 HIS CA C 13 55.861 0.158 . 1 . . . A 38 HIS CA . 18393 1 286 . 1 1 24 24 HIS CB C 13 30.360 0.167 . 1 . . . A 38 HIS CB . 18393 1 287 . 1 1 24 24 HIS CD2 C 13 118.673 0.000 . 1 . . . A 38 HIS CD2 . 18393 1 288 . 1 1 24 24 HIS CE1 C 13 139.389 0.000 . 1 . . . A 38 HIS CE1 . 18393 1 289 . 1 1 25 25 ALA H H 1 7.697 0.004 . 1 . . . A 39 ALA H . 18393 1 290 . 1 1 25 25 ALA HA H 1 4.474 0.004 . 1 . . . A 39 ALA HA . 18393 1 291 . 1 1 25 25 ALA HB1 H 1 0.917 0.002 . 1 . . . A 39 ALA HB1 . 18393 1 292 . 1 1 25 25 ALA HB2 H 1 0.917 0.002 . 1 . . . A 39 ALA HB2 . 18393 1 293 . 1 1 25 25 ALA HB3 H 1 0.917 0.002 . 1 . . . A 39 ALA HB3 . 18393 1 294 . 1 1 25 25 ALA C C 13 174.351 0.000 . 1 . . . A 39 ALA C . 18393 1 295 . 1 1 25 25 ALA CA C 13 51.316 0.027 . 1 . . . A 39 ALA CA . 18393 1 296 . 1 1 25 25 ALA CB C 13 18.111 0.059 . 1 . . . A 39 ALA CB . 18393 1 297 . 1 1 25 25 ALA N N 15 128.271 0.032 . 1 . . . A 39 ALA N . 18393 1 298 . 1 1 26 26 LYS H H 1 7.990 0.002 . 1 . . . A 40 LYS H . 18393 1 299 . 1 1 26 26 LYS HA H 1 4.118 0.004 . 1 . . . A 40 LYS HA . 18393 1 300 . 1 1 26 26 LYS HB2 H 1 1.607 0.002 . 2 . . . A 40 LYS HB2 . 18393 1 301 . 1 1 26 26 LYS HB3 H 1 1.155 0.003 . 2 . . . A 40 LYS HB3 . 18393 1 302 . 1 1 26 26 LYS HG2 H 1 1.293 0.006 . 2 . . . A 40 LYS HG2 . 18393 1 303 . 1 1 26 26 LYS HG3 H 1 1.163 0.006 . 2 . . . A 40 LYS HG3 . 18393 1 304 . 1 1 26 26 LYS HD2 H 1 1.379 0.004 . 2 . . . A 40 LYS HD2 . 18393 1 305 . 1 1 26 26 LYS HD3 H 1 1.379 0.004 . 2 . . . A 40 LYS HD3 . 18393 1 306 . 1 1 26 26 LYS HE2 H 1 2.717 0.002 . 2 . . . A 40 LYS HE2 . 18393 1 307 . 1 1 26 26 LYS HE3 H 1 2.668 0.010 . 2 . . . A 40 LYS HE3 . 18393 1 308 . 1 1 26 26 LYS C C 13 177.551 0.000 . 1 . . . A 40 LYS C . 18393 1 309 . 1 1 26 26 LYS CA C 13 56.144 0.072 . 1 . . . A 40 LYS CA . 18393 1 310 . 1 1 26 26 LYS CB C 13 33.072 0.062 . 1 . . . A 40 LYS CB . 18393 1 311 . 1 1 26 26 LYS CG C 13 24.308 0.152 . 1 . . . A 40 LYS CG . 18393 1 312 . 1 1 26 26 LYS CD C 13 28.673 0.084 . 1 . . . A 40 LYS CD . 18393 1 313 . 1 1 26 26 LYS CE C 13 41.932 0.062 . 1 . . . A 40 LYS CE . 18393 1 314 . 1 1 26 26 LYS N N 15 121.927 0.007 . 1 . . . A 40 LYS N . 18393 1 315 . 1 1 27 27 ARG H H 1 8.296 0.010 . 1 . . . A 41 ARG H . 18393 1 316 . 1 1 27 27 ARG HA H 1 4.638 0.008 . 1 . . . A 41 ARG HA . 18393 1 317 . 1 1 27 27 ARG HB2 H 1 1.434 0.001 . 2 . . . A 41 ARG HB2 . 18393 1 318 . 1 1 27 27 ARG HB3 H 1 1.292 0.006 . 2 . . . A 41 ARG HB3 . 18393 1 319 . 1 1 27 27 ARG C C 13 174.770 0.000 . 1 . . . A 41 ARG C . 18393 1 320 . 1 1 27 27 ARG CA C 13 53.478 0.000 . 1 . . . A 41 ARG CA . 18393 1 321 . 1 1 27 27 ARG CB C 13 33.390 0.074 . 1 . . . A 41 ARG CB . 18393 1 322 . 1 1 27 27 ARG CG C 13 26.763 0.000 . 1 . . . A 41 ARG CG . 18393 1 323 . 1 1 27 27 ARG CD C 13 43.354 0.000 . 1 . . . A 41 ARG CD . 18393 1 324 . 1 1 27 27 ARG N N 15 119.572 0.047 . 1 . . . A 41 ARG N . 18393 1 325 . 1 1 28 28 PHE H H 1 9.339 0.001 . 1 . . . A 42 PHE H . 18393 1 326 . 1 1 28 28 PHE HA H 1 5.047 0.013 . 1 . . . A 42 PHE HA . 18393 1 327 . 1 1 28 28 PHE HB2 H 1 2.984 0.004 . 2 . . . A 42 PHE HB2 . 18393 1 328 . 1 1 28 28 PHE HB3 H 1 2.786 0.006 . 2 . . . A 42 PHE HB3 . 18393 1 329 . 1 1 28 28 PHE HD1 H 1 7.099 0.017 . 3 . . . A 42 PHE HD1 . 18393 1 330 . 1 1 28 28 PHE HD2 H 1 7.099 0.017 . 3 . . . A 42 PHE HD2 . 18393 1 331 . 1 1 28 28 PHE HE1 H 1 7.250 0.015 . 3 . . . A 42 PHE HE1 . 18393 1 332 . 1 1 28 28 PHE HE2 H 1 7.250 0.015 . 3 . . . A 42 PHE HE2 . 18393 1 333 . 1 1 28 28 PHE C C 13 174.407 0.000 . 1 . . . A 42 PHE C . 18393 1 334 . 1 1 28 28 PHE CA C 13 57.026 0.045 . 1 . . . A 42 PHE CA . 18393 1 335 . 1 1 28 28 PHE CB C 13 43.129 0.092 . 1 . . . A 42 PHE CB . 18393 1 336 . 1 1 28 28 PHE N N 15 120.381 0.010 . 1 . . . A 42 PHE N . 18393 1 337 . 1 1 29 29 THR H H 1 8.949 0.001 . 1 . . . A 43 THR H . 18393 1 338 . 1 1 29 29 THR HA H 1 4.704 0.011 . 1 . . . A 43 THR HA . 18393 1 339 . 1 1 29 29 THR HB H 1 3.791 0.006 . 1 . . . A 43 THR HB . 18393 1 340 . 1 1 29 29 THR HG21 H 1 1.008 0.003 . 1 . . . A 43 THR HG21 . 18393 1 341 . 1 1 29 29 THR HG22 H 1 1.008 0.003 . 1 . . . A 43 THR HG22 . 18393 1 342 . 1 1 29 29 THR HG23 H 1 1.008 0.003 . 1 . . . A 43 THR HG23 . 18393 1 343 . 1 1 29 29 THR C C 13 173.713 0.000 . 1 . . . A 43 THR C . 18393 1 344 . 1 1 29 29 THR CA C 13 62.117 0.221 . 1 . . . A 43 THR CA . 18393 1 345 . 1 1 29 29 THR CB C 13 70.104 0.092 . 1 . . . A 43 THR CB . 18393 1 346 . 1 1 29 29 THR CG2 C 13 21.835 0.015 . 1 . . . A 43 THR CG2 . 18393 1 347 . 1 1 29 29 THR N N 15 117.999 0.007 . 1 . . . A 43 THR N . 18393 1 348 . 1 1 30 30 PHE H H 1 10.048 0.043 . 1 . . . A 44 PHE H . 18393 1 349 . 1 1 30 30 PHE HA H 1 5.395 0.005 . 1 . . . A 44 PHE HA . 18393 1 350 . 1 1 30 30 PHE HB2 H 1 2.842 0.010 . 2 . . . A 44 PHE HB2 . 18393 1 351 . 1 1 30 30 PHE HB3 H 1 2.842 0.010 . 2 . . . A 44 PHE HB3 . 18393 1 352 . 1 1 30 30 PHE HD1 H 1 7.118 0.000 . 3 . . . A 44 PHE HD1 . 18393 1 353 . 1 1 30 30 PHE HD2 H 1 7.118 0.000 . 3 . . . A 44 PHE HD2 . 18393 1 354 . 1 1 30 30 PHE HE1 H 1 7.259 0.000 . 3 . . . A 44 PHE HE1 . 18393 1 355 . 1 1 30 30 PHE HE2 H 1 7.259 0.000 . 3 . . . A 44 PHE HE2 . 18393 1 356 . 1 1 30 30 PHE C C 13 173.221 0.000 . 1 . . . A 44 PHE C . 18393 1 357 . 1 1 30 30 PHE CA C 13 56.423 0.004 . 1 . . . A 44 PHE CA . 18393 1 358 . 1 1 30 30 PHE CB C 13 43.917 0.078 . 1 . . . A 44 PHE CB . 18393 1 359 . 1 1 30 30 PHE N N 15 129.592 0.006 . 1 . . . A 44 PHE N . 18393 1 360 . 1 1 31 31 GLY H H 1 9.290 0.002 . 1 . . . A 45 GLY H . 18393 1 361 . 1 1 31 31 GLY HA2 H 1 5.633 0.005 . 2 . . . A 45 GLY HA2 . 18393 1 362 . 1 1 31 31 GLY HA3 H 1 3.336 0.004 . 2 . . . A 45 GLY HA3 . 18393 1 363 . 1 1 31 31 GLY C C 13 172.774 0.000 . 1 . . . A 45 GLY C . 18393 1 364 . 1 1 31 31 GLY CA C 13 43.538 0.071 . 1 . . . A 45 GLY CA . 18393 1 365 . 1 1 31 31 GLY N N 15 105.921 0.009 . 1 . . . A 45 GLY N . 18393 1 366 . 1 1 32 32 VAL H H 1 8.906 0.003 . 1 . . . A 46 VAL H . 18393 1 367 . 1 1 32 32 VAL HA H 1 5.350 0.007 . 1 . . . A 46 VAL HA . 18393 1 368 . 1 1 32 32 VAL HB H 1 1.700 0.003 . 1 . . . A 46 VAL HB . 18393 1 369 . 1 1 32 32 VAL HG11 H 1 0.083 0.003 . 2 . . . A 46 VAL HG11 . 18393 1 370 . 1 1 32 32 VAL HG12 H 1 0.083 0.003 . 2 . . . A 46 VAL HG12 . 18393 1 371 . 1 1 32 32 VAL HG13 H 1 0.083 0.003 . 2 . . . A 46 VAL HG13 . 18393 1 372 . 1 1 32 32 VAL HG21 H 1 0.757 0.004 . 2 . . . A 46 VAL HG21 . 18393 1 373 . 1 1 32 32 VAL HG22 H 1 0.757 0.004 . 2 . . . A 46 VAL HG22 . 18393 1 374 . 1 1 32 32 VAL HG23 H 1 0.757 0.004 . 2 . . . A 46 VAL HG23 . 18393 1 375 . 1 1 32 32 VAL C C 13 171.140 0.000 . 1 . . . A 46 VAL C . 18393 1 376 . 1 1 32 32 VAL CA C 13 58.832 0.046 . 1 . . . A 46 VAL CA . 18393 1 377 . 1 1 32 32 VAL CB C 13 36.387 0.055 . 1 . . . A 46 VAL CB . 18393 1 378 . 1 1 32 32 VAL CG1 C 13 20.599 0.101 . 2 . . . A 46 VAL CG1 . 18393 1 379 . 1 1 32 32 VAL CG2 C 13 22.729 0.030 . 2 . . . A 46 VAL CG2 . 18393 1 380 . 1 1 32 32 VAL N N 15 121.311 0.009 . 1 . . . A 46 VAL N . 18393 1 381 . 1 1 33 33 ARG H H 1 8.008 0.008 . 1 . . . A 47 ARG H . 18393 1 382 . 1 1 33 33 ARG HA H 1 4.571 0.005 . 1 . . . A 47 ARG HA . 18393 1 383 . 1 1 33 33 ARG HB2 H 1 1.775 0.004 . 2 . . . A 47 ARG HB2 . 18393 1 384 . 1 1 33 33 ARG HB3 H 1 1.775 0.004 . 2 . . . A 47 ARG HB3 . 18393 1 385 . 1 1 33 33 ARG HG2 H 1 1.630 0.000 . 2 . . . A 47 ARG HG2 . 18393 1 386 . 1 1 33 33 ARG HG3 H 1 1.519 0.000 . 2 . . . A 47 ARG HG3 . 18393 1 387 . 1 1 33 33 ARG HD2 H 1 2.716 0.003 . 2 . . . A 47 ARG HD2 . 18393 1 388 . 1 1 33 33 ARG HD3 H 1 2.716 0.003 . 2 . . . A 47 ARG HD3 . 18393 1 389 . 1 1 33 33 ARG C C 13 173.683 0.000 . 1 . . . A 47 ARG C . 18393 1 390 . 1 1 33 33 ARG CA C 13 54.958 0.048 . 1 . . . A 47 ARG CA . 18393 1 391 . 1 1 33 33 ARG CB C 13 35.716 0.039 . 1 . . . A 47 ARG CB . 18393 1 392 . 1 1 33 33 ARG CG C 13 25.490 0.067 . 1 . . . A 47 ARG CG . 18393 1 393 . 1 1 33 33 ARG CD C 13 44.520 0.000 . 1 . . . A 47 ARG CD . 18393 1 394 . 1 1 33 33 ARG N N 15 122.102 0.081 . 1 . . . A 47 ARG N . 18393 1 395 . 1 1 34 34 VAL H H 1 8.103 0.003 . 1 . . . A 48 VAL H . 18393 1 396 . 1 1 34 34 VAL HA H 1 4.787 0.004 . 1 . . . A 48 VAL HA . 18393 1 397 . 1 1 34 34 VAL HB H 1 1.648 0.010 . 1 . . . A 48 VAL HB . 18393 1 398 . 1 1 34 34 VAL HG11 H 1 0.755 0.048 . 2 . . . A 48 VAL HG11 . 18393 1 399 . 1 1 34 34 VAL HG12 H 1 0.755 0.048 . 2 . . . A 48 VAL HG12 . 18393 1 400 . 1 1 34 34 VAL HG13 H 1 0.755 0.048 . 2 . . . A 48 VAL HG13 . 18393 1 401 . 1 1 34 34 VAL HG21 H 1 0.803 0.002 . 2 . . . A 48 VAL HG21 . 18393 1 402 . 1 1 34 34 VAL HG22 H 1 0.803 0.002 . 2 . . . A 48 VAL HG22 . 18393 1 403 . 1 1 34 34 VAL HG23 H 1 0.803 0.002 . 2 . . . A 48 VAL HG23 . 18393 1 404 . 1 1 34 34 VAL C C 13 172.777 0.000 . 1 . . . A 48 VAL C . 18393 1 405 . 1 1 34 34 VAL CA C 13 59.970 0.000 . 1 . . . A 48 VAL CA . 18393 1 406 . 1 1 34 34 VAL CB C 13 36.312 0.006 . 1 . . . A 48 VAL CB . 18393 1 407 . 1 1 34 34 VAL CG1 C 13 22.118 0.066 . 2 . . . A 48 VAL CG1 . 18393 1 408 . 1 1 34 34 VAL CG2 C 13 22.860 0.048 . 2 . . . A 48 VAL CG2 . 18393 1 409 . 1 1 34 34 VAL N N 15 117.391 0.009 . 1 . . . A 48 VAL N . 18393 1 410 . 1 1 35 35 ASN H H 1 8.543 0.007 . 1 . . . A 49 ASN H . 18393 1 411 . 1 1 35 35 ASN HA H 1 3.536 0.004 . 1 . . . A 49 ASN HA . 18393 1 412 . 1 1 35 35 ASN HB2 H 1 1.921 0.003 . 2 . . . A 49 ASN HB2 . 18393 1 413 . 1 1 35 35 ASN HB3 H 1 -0.318 0.002 . 2 . . . A 49 ASN HB3 . 18393 1 414 . 1 1 35 35 ASN C C 13 174.221 0.000 . 1 . . . A 49 ASN C . 18393 1 415 . 1 1 35 35 ASN CA C 13 50.607 0.070 . 1 . . . A 49 ASN CA . 18393 1 416 . 1 1 35 35 ASN CB C 13 34.742 0.048 . 1 . . . A 49 ASN CB . 18393 1 417 . 1 1 35 35 ASN N N 15 127.065 0.003 . 1 . . . A 49 ASN N . 18393 1 418 . 1 1 36 36 THR H H 1 6.801 0.004 . 1 . . . A 50 THR H . 18393 1 419 . 1 1 36 36 THR HA H 1 2.159 0.003 . 1 . . . A 50 THR HA . 18393 1 420 . 1 1 36 36 THR HB H 1 3.510 0.005 . 1 . . . A 50 THR HB . 18393 1 421 . 1 1 36 36 THR HG21 H 1 0.039 0.005 . 1 . . . A 50 THR HG21 . 18393 1 422 . 1 1 36 36 THR HG22 H 1 0.039 0.005 . 1 . . . A 50 THR HG22 . 18393 1 423 . 1 1 36 36 THR HG23 H 1 0.039 0.005 . 1 . . . A 50 THR HG23 . 18393 1 424 . 1 1 36 36 THR C C 13 175.168 0.000 . 1 . . . A 50 THR C . 18393 1 425 . 1 1 36 36 THR CA C 13 61.126 0.049 . 1 . . . A 50 THR CA . 18393 1 426 . 1 1 36 36 THR CB C 13 69.987 0.091 . 1 . . . A 50 THR CB . 18393 1 427 . 1 1 36 36 THR CG2 C 13 21.266 0.049 . 1 . . . A 50 THR CG2 . 18393 1 428 . 1 1 36 36 THR N N 15 114.402 0.014 . 1 . . . A 50 THR N . 18393 1 429 . 1 1 37 37 SER H H 1 6.797 0.003 . 1 . . . A 51 SER H . 18393 1 430 . 1 1 37 37 SER HA H 1 4.105 0.000 . 1 . . . A 51 SER HA . 18393 1 431 . 1 1 37 37 SER HB2 H 1 4.076 0.007 . 2 . . . A 51 SER HB2 . 18393 1 432 . 1 1 37 37 SER HB3 H 1 4.076 0.007 . 2 . . . A 51 SER HB3 . 18393 1 433 . 1 1 37 37 SER C C 13 174.760 0.000 . 1 . . . A 51 SER C . 18393 1 434 . 1 1 37 37 SER CA C 13 59.958 0.000 . 1 . . . A 51 SER CA . 18393 1 435 . 1 1 37 37 SER CB C 13 63.115 0.063 . 1 . . . A 51 SER CB . 18393 1 436 . 1 1 37 37 SER N N 15 114.587 0.036 . 1 . . . A 51 SER N . 18393 1 437 . 1 1 38 38 ASP H H 1 8.784 0.001 . 1 . . . A 52 ASP H . 18393 1 438 . 1 1 38 38 ASP HA H 1 4.589 0.005 . 1 . . . A 52 ASP HA . 18393 1 439 . 1 1 38 38 ASP HB2 H 1 2.719 0.000 . 2 . . . A 52 ASP HB2 . 18393 1 440 . 1 1 38 38 ASP HB3 H 1 2.663 0.000 . 2 . . . A 52 ASP HB3 . 18393 1 441 . 1 1 38 38 ASP C C 13 177.236 0.000 . 1 . . . A 52 ASP C . 18393 1 442 . 1 1 38 38 ASP CA C 13 54.550 0.000 . 1 . . . A 52 ASP CA . 18393 1 443 . 1 1 38 38 ASP CB C 13 40.606 0.000 . 1 . . . A 52 ASP CB . 18393 1 444 . 1 1 38 38 ASP N N 15 117.329 0.009 . 1 . . . A 52 ASP N . 18393 1 445 . 1 1 39 39 ARG H H 1 7.666 0.004 . 1 . . . A 53 ARG H . 18393 1 446 . 1 1 39 39 ARG HA H 1 4.496 0.006 . 1 . . . A 53 ARG HA . 18393 1 447 . 1 1 39 39 ARG HB2 H 1 1.797 0.005 . 2 . . . A 53 ARG HB2 . 18393 1 448 . 1 1 39 39 ARG HB3 H 1 1.570 0.006 . 2 . . . A 53 ARG HB3 . 18393 1 449 . 1 1 39 39 ARG HG2 H 1 1.496 0.015 . 2 . . . A 53 ARG HG2 . 18393 1 450 . 1 1 39 39 ARG HG3 H 1 1.392 0.002 . 2 . . . A 53 ARG HG3 . 18393 1 451 . 1 1 39 39 ARG HD2 H 1 3.084 0.009 . 2 . . . A 53 ARG HD2 . 18393 1 452 . 1 1 39 39 ARG HD3 H 1 3.084 0.009 . 2 . . . A 53 ARG HD3 . 18393 1 453 . 1 1 39 39 ARG C C 13 176.062 0.000 . 1 . . . A 53 ARG C . 18393 1 454 . 1 1 39 39 ARG CA C 13 55.050 0.120 . 1 . . . A 53 ARG CA . 18393 1 455 . 1 1 39 39 ARG CB C 13 31.441 0.066 . 1 . . . A 53 ARG CB . 18393 1 456 . 1 1 39 39 ARG CG C 13 26.979 0.117 . 1 . . . A 53 ARG CG . 18393 1 457 . 1 1 39 39 ARG CD C 13 43.482 0.000 . 1 . . . A 53 ARG CD . 18393 1 458 . 1 1 39 39 ARG N N 15 118.330 0.001 . 1 . . . A 53 ARG N . 18393 1 459 . 1 1 40 40 GLY H H 1 7.248 0.004 . 1 . . . A 54 GLY H . 18393 1 460 . 1 1 40 40 GLY HA2 H 1 4.054 0.004 . 2 . . . A 54 GLY HA2 . 18393 1 461 . 1 1 40 40 GLY HA3 H 1 3.779 0.003 . 2 . . . A 54 GLY HA3 . 18393 1 462 . 1 1 40 40 GLY C C 13 177.680 0.000 . 1 . . . A 54 GLY C . 18393 1 463 . 1 1 40 40 GLY CA C 13 44.677 0.025 . 1 . . . A 54 GLY CA . 18393 1 464 . 1 1 40 40 GLY N N 15 110.510 0.007 . 1 . . . A 54 GLY N . 18393 1 465 . 1 1 41 41 TRP H H 1 8.289 0.006 . 1 . . . A 55 TRP H . 18393 1 466 . 1 1 41 41 TRP HA H 1 4.919 0.006 . 1 . . . A 55 TRP HA . 18393 1 467 . 1 1 41 41 TRP HB2 H 1 3.163 0.006 . 2 . . . A 55 TRP HB2 . 18393 1 468 . 1 1 41 41 TRP HB3 H 1 2.902 0.003 . 2 . . . A 55 TRP HB3 . 18393 1 469 . 1 1 41 41 TRP HD1 H 1 7.256 0.004 . 1 . . . A 55 TRP HD1 . 18393 1 470 . 1 1 41 41 TRP HE1 H 1 9.964 0.000 . 1 . . . A 55 TRP HE1 . 18393 1 471 . 1 1 41 41 TRP HE3 H 1 7.038 0.008 . 1 . . . A 55 TRP HE3 . 18393 1 472 . 1 1 41 41 TRP HZ2 H 1 7.371 0.000 . 1 . . . A 55 TRP HZ2 . 18393 1 473 . 1 1 41 41 TRP HZ3 H 1 6.672 0.005 . 1 . . . A 55 TRP HZ3 . 18393 1 474 . 1 1 41 41 TRP HH2 H 1 7.150 0.000 . 1 . . . A 55 TRP HH2 . 18393 1 475 . 1 1 41 41 TRP C C 13 178.873 0.000 . 1 . . . A 55 TRP C . 18393 1 476 . 1 1 41 41 TRP CA C 13 58.117 0.018 . 1 . . . A 55 TRP CA . 18393 1 477 . 1 1 41 41 TRP CB C 13 29.774 0.162 . 1 . . . A 55 TRP CB . 18393 1 478 . 1 1 41 41 TRP CD1 C 13 127.877 0.000 . 1 . . . A 55 TRP CD1 . 18393 1 479 . 1 1 41 41 TRP CE3 C 13 119.495 0.000 . 1 . . . A 55 TRP CE3 . 18393 1 480 . 1 1 41 41 TRP CZ2 C 13 114.875 0.000 . 1 . . . A 55 TRP CZ2 . 18393 1 481 . 1 1 41 41 TRP CZ3 C 13 121.610 0.000 . 1 . . . A 55 TRP CZ3 . 18393 1 482 . 1 1 41 41 TRP CH2 C 13 124.284 0.000 . 1 . . . A 55 TRP CH2 . 18393 1 483 . 1 1 41 41 TRP N N 15 123.328 0.008 . 1 . . . A 55 TRP N . 18393 1 484 . 1 1 41 41 TRP NE1 N 15 128.886 0.012 . 1 . . . A 55 TRP NE1 . 18393 1 485 . 1 1 42 42 THR H H 1 8.972 0.003 . 1 . . . A 56 THR H . 18393 1 486 . 1 1 42 42 THR HA H 1 4.329 0.012 . 1 . . . A 56 THR HA . 18393 1 487 . 1 1 42 42 THR HB H 1 4.588 0.008 . 1 . . . A 56 THR HB . 18393 1 488 . 1 1 42 42 THR HG21 H 1 1.291 0.004 . 1 . . . A 56 THR HG21 . 18393 1 489 . 1 1 42 42 THR HG22 H 1 1.291 0.004 . 1 . . . A 56 THR HG22 . 18393 1 490 . 1 1 42 42 THR HG23 H 1 1.291 0.004 . 1 . . . A 56 THR HG23 . 18393 1 491 . 1 1 42 42 THR C C 13 175.261 0.000 . 1 . . . A 56 THR C . 18393 1 492 . 1 1 42 42 THR CA C 13 61.698 0.004 . 1 . . . A 56 THR CA . 18393 1 493 . 1 1 42 42 THR CB C 13 72.359 0.006 . 1 . . . A 56 THR CB . 18393 1 494 . 1 1 42 42 THR CG2 C 13 21.361 0.012 . 1 . . . A 56 THR CG2 . 18393 1 495 . 1 1 42 42 THR N N 15 114.627 0.006 . 1 . . . A 56 THR N . 18393 1 496 . 1 1 43 43 ASP H H 1 8.379 0.004 . 1 . . . A 57 ASP H . 18393 1 497 . 1 1 43 43 ASP HA H 1 4.445 0.007 . 1 . . . A 57 ASP HA . 18393 1 498 . 1 1 43 43 ASP HB2 H 1 2.605 0.003 . 2 . . . A 57 ASP HB2 . 18393 1 499 . 1 1 43 43 ASP HB3 H 1 2.376 0.003 . 2 . . . A 57 ASP HB3 . 18393 1 500 . 1 1 43 43 ASP C C 13 175.710 0.000 . 1 . . . A 57 ASP C . 18393 1 501 . 1 1 43 43 ASP CA C 13 55.377 0.032 . 1 . . . A 57 ASP CA . 18393 1 502 . 1 1 43 43 ASP CB C 13 40.872 0.073 . 1 . . . A 57 ASP CB . 18393 1 503 . 1 1 43 43 ASP N N 15 120.151 0.015 . 1 . . . A 57 ASP N . 18393 1 504 . 1 1 44 44 GLU H H 1 8.581 0.007 . 1 . . . A 58 GLU H . 18393 1 505 . 1 1 44 44 GLU HA H 1 4.465 0.009 . 1 . . . A 58 GLU HA . 18393 1 506 . 1 1 44 44 GLU HB2 H 1 1.981 0.002 . 2 . . . A 58 GLU HB2 . 18393 1 507 . 1 1 44 44 GLU HB3 H 1 1.469 0.005 . 2 . . . A 58 GLU HB3 . 18393 1 508 . 1 1 44 44 GLU HG2 H 1 1.811 0.003 . 2 . . . A 58 GLU HG2 . 18393 1 509 . 1 1 44 44 GLU HG3 H 1 1.811 0.003 . 2 . . . A 58 GLU HG3 . 18393 1 510 . 1 1 44 44 GLU C C 13 176.412 0.000 . 1 . . . A 58 GLU C . 18393 1 511 . 1 1 44 44 GLU CA C 13 55.471 0.000 . 1 . . . A 58 GLU CA . 18393 1 512 . 1 1 44 44 GLU CB C 13 31.058 0.033 . 1 . . . A 58 GLU CB . 18393 1 513 . 1 1 44 44 GLU CG C 13 37.385 0.077 . 1 . . . A 58 GLU CG . 18393 1 514 . 1 1 44 44 GLU N N 15 122.449 0.002 . 1 . . . A 58 GLU N . 18393 1 515 . 1 1 45 45 CYS H H 1 8.671 0.005 . 1 . . . A 59 CYS H . 18393 1 516 . 1 1 45 45 CYS HA H 1 4.695 0.004 . 1 . . . A 59 CYS HA . 18393 1 517 . 1 1 45 45 CYS HB2 H 1 2.716 0.004 . 2 . . . A 59 CYS HB2 . 18393 1 518 . 1 1 45 45 CYS HB3 H 1 2.716 0.004 . 2 . . . A 59 CYS HB3 . 18393 1 519 . 1 1 45 45 CYS C C 13 173.364 0.000 . 1 . . . A 59 CYS C . 18393 1 520 . 1 1 45 45 CYS CA C 13 58.920 0.000 . 1 . . . A 59 CYS CA . 18393 1 521 . 1 1 45 45 CYS CB C 13 29.684 0.050 . 1 . . . A 59 CYS CB . 18393 1 522 . 1 1 45 45 CYS N N 15 126.725 0.037 . 1 . . . A 59 CYS N . 18393 1 523 . 1 1 46 46 ILE H H 1 8.735 0.002 . 1 . . . A 60 ILE H . 18393 1 524 . 1 1 46 46 ILE HA H 1 4.693 0.006 . 1 . . . A 60 ILE HA . 18393 1 525 . 1 1 46 46 ILE HB H 1 1.767 0.012 . 1 . . . A 60 ILE HB . 18393 1 526 . 1 1 46 46 ILE HG12 H 1 1.477 0.003 . 2 . . . A 60 ILE HG12 . 18393 1 527 . 1 1 46 46 ILE HG13 H 1 0.870 0.002 . 2 . . . A 60 ILE HG13 . 18393 1 528 . 1 1 46 46 ILE HG21 H 1 0.920 0.003 . 1 . . . A 60 ILE HG21 . 18393 1 529 . 1 1 46 46 ILE HG22 H 1 0.920 0.003 . 1 . . . A 60 ILE HG22 . 18393 1 530 . 1 1 46 46 ILE HG23 H 1 0.920 0.003 . 1 . . . A 60 ILE HG23 . 18393 1 531 . 1 1 46 46 ILE HD11 H 1 0.737 0.007 . 1 . . . A 60 ILE HD11 . 18393 1 532 . 1 1 46 46 ILE HD12 H 1 0.737 0.007 . 1 . . . A 60 ILE HD12 . 18393 1 533 . 1 1 46 46 ILE HD13 H 1 0.737 0.007 . 1 . . . A 60 ILE HD13 . 18393 1 534 . 1 1 46 46 ILE C C 13 176.175 0.000 . 1 . . . A 60 ILE C . 18393 1 535 . 1 1 46 46 ILE CA C 13 60.776 0.000 . 1 . . . A 60 ILE CA . 18393 1 536 . 1 1 46 46 ILE CB C 13 38.346 0.120 . 1 . . . A 60 ILE CB . 18393 1 537 . 1 1 46 46 ILE CG1 C 13 28.026 0.030 . 1 . . . A 60 ILE CG1 . 18393 1 538 . 1 1 46 46 ILE CG2 C 13 17.897 0.014 . 1 . . . A 60 ILE CG2 . 18393 1 539 . 1 1 46 46 ILE CD1 C 13 12.481 0.092 . 1 . . . A 60 ILE CD1 . 18393 1 540 . 1 1 46 46 ILE N N 15 126.614 0.007 . 1 . . . A 60 ILE N . 18393 1 541 . 1 1 47 47 GLY H H 1 8.610 0.003 . 1 . . . A 61 GLY H . 18393 1 542 . 1 1 47 47 GLY HA2 H 1 4.260 0.003 . 2 . . . A 61 GLY HA2 . 18393 1 543 . 1 1 47 47 GLY HA3 H 1 3.823 0.004 . 2 . . . A 61 GLY HA3 . 18393 1 544 . 1 1 47 47 GLY C C 13 171.844 0.000 . 1 . . . A 61 GLY C . 18393 1 545 . 1 1 47 47 GLY CA C 13 44.283 0.069 . 1 . . . A 61 GLY CA . 18393 1 546 . 1 1 47 47 GLY N N 15 112.366 0.010 . 1 . . . A 61 GLY N . 18393 1 547 . 1 1 48 48 GLU H H 1 8.214 0.004 . 1 . . . A 62 GLU H . 18393 1 548 . 1 1 48 48 GLU HA H 1 4.545 0.004 . 1 . . . A 62 GLU HA . 18393 1 549 . 1 1 48 48 GLU HB2 H 1 2.055 0.007 . 2 . . . A 62 GLU HB2 . 18393 1 550 . 1 1 48 48 GLU HB3 H 1 1.788 0.003 . 2 . . . A 62 GLU HB3 . 18393 1 551 . 1 1 48 48 GLU HG2 H 1 2.350 0.002 . 2 . . . A 62 GLU HG2 . 18393 1 552 . 1 1 48 48 GLU HG3 H 1 2.284 0.009 . 2 . . . A 62 GLU HG3 . 18393 1 553 . 1 1 48 48 GLU C C 13 174.927 0.000 . 1 . . . A 62 GLU C . 18393 1 554 . 1 1 48 48 GLU CA C 13 53.882 0.189 . 1 . . . A 62 GLU CA . 18393 1 555 . 1 1 48 48 GLU CB C 13 30.349 0.167 . 1 . . . A 62 GLU CB . 18393 1 556 . 1 1 48 48 GLU CG C 13 36.684 0.121 . 1 . . . A 62 GLU CG . 18393 1 557 . 1 1 48 48 GLU N N 15 115.030 0.003 . 1 . . . A 62 GLU N . 18393 1 558 . 1 1 49 49 PRO HA H 1 4.864 0.003 . 1 . . . A 63 PRO HA . 18393 1 559 . 1 1 49 49 PRO HB2 H 1 1.986 0.003 . 2 . . . A 63 PRO HB2 . 18393 1 560 . 1 1 49 49 PRO HB3 H 1 1.658 0.005 . 2 . . . A 63 PRO HB3 . 18393 1 561 . 1 1 49 49 PRO HD2 H 1 3.774 0.007 . 2 . . . A 63 PRO HD2 . 18393 1 562 . 1 1 49 49 PRO HD3 H 1 3.679 0.001 . 2 . . . A 63 PRO HD3 . 18393 1 563 . 1 1 49 49 PRO C C 13 178.286 0.000 . 1 . . . A 63 PRO C . 18393 1 564 . 1 1 49 49 PRO CA C 13 62.260 0.000 . 1 . . . A 63 PRO CA . 18393 1 565 . 1 1 49 49 PRO CB C 13 31.267 0.046 . 1 . . . A 63 PRO CB . 18393 1 566 . 1 1 49 49 PRO CG C 13 28.009 0.000 . 1 . . . A 63 PRO CG . 18393 1 567 . 1 1 49 49 PRO CD C 13 49.977 0.127 . 1 . . . A 63 PRO CD . 18393 1 568 . 1 1 50 50 MET H H 1 9.267 0.010 . 1 . . . A 64 MET H . 18393 1 569 . 1 1 50 50 MET HA H 1 5.530 0.004 . 1 . . . A 64 MET HA . 18393 1 570 . 1 1 50 50 MET HB2 H 1 1.957 0.003 . 2 . . . A 64 MET HB2 . 18393 1 571 . 1 1 50 50 MET HB3 H 1 1.956 0.003 . 2 . . . A 64 MET HB3 . 18393 1 572 . 1 1 50 50 MET HG2 H 1 2.865 0.004 . 2 . . . A 64 MET HG2 . 18393 1 573 . 1 1 50 50 MET HG3 H 1 2.706 0.006 . 2 . . . A 64 MET HG3 . 18393 1 574 . 1 1 50 50 MET HE1 H 1 2.172 0.003 . 1 . . . A 64 MET HE1 . 18393 1 575 . 1 1 50 50 MET HE2 H 1 2.172 0.003 . 1 . . . A 64 MET HE2 . 18393 1 576 . 1 1 50 50 MET HE3 H 1 2.172 0.003 . 1 . . . A 64 MET HE3 . 18393 1 577 . 1 1 50 50 MET C C 13 176.337 0.000 . 1 . . . A 64 MET C . 18393 1 578 . 1 1 50 50 MET CA C 13 51.674 0.056 . 1 . . . A 64 MET CA . 18393 1 579 . 1 1 50 50 MET CB C 13 37.597 0.189 . 1 . . . A 64 MET CB . 18393 1 580 . 1 1 50 50 MET CG C 13 32.238 0.043 . 1 . . . A 64 MET CG . 18393 1 581 . 1 1 50 50 MET CE C 13 19.001 0.103 . 1 . . . A 64 MET CE . 18393 1 582 . 1 1 50 50 MET N N 15 123.505 0.010 . 1 . . . A 64 MET N . 18393 1 583 . 1 1 51 51 PRO HA H 1 5.086 0.005 . 1 . . . A 65 PRO HA . 18393 1 584 . 1 1 51 51 PRO HB2 H 1 2.387 0.009 . 2 . . . A 65 PRO HB2 . 18393 1 585 . 1 1 51 51 PRO HB3 H 1 2.239 0.016 . 2 . . . A 65 PRO HB3 . 18393 1 586 . 1 1 51 51 PRO HG2 H 1 2.040 0.007 . 2 . . . A 65 PRO HG2 . 18393 1 587 . 1 1 51 51 PRO HG3 H 1 2.040 0.007 . 2 . . . A 65 PRO HG3 . 18393 1 588 . 1 1 51 51 PRO HD2 H 1 3.967 0.003 . 2 . . . A 65 PRO HD2 . 18393 1 589 . 1 1 51 51 PRO HD3 H 1 3.669 0.005 . 2 . . . A 65 PRO HD3 . 18393 1 590 . 1 1 51 51 PRO C C 13 174.862 0.000 . 1 . . . A 65 PRO C . 18393 1 591 . 1 1 51 51 PRO CA C 13 63.666 0.150 . 1 . . . A 65 PRO CA . 18393 1 592 . 1 1 51 51 PRO CB C 13 32.527 0.065 . 1 . . . A 65 PRO CB . 18393 1 593 . 1 1 51 51 PRO CG C 13 27.486 0.264 . 1 . . . A 65 PRO CG . 18393 1 594 . 1 1 51 51 PRO CD C 13 51.533 0.078 . 1 . . . A 65 PRO CD . 18393 1 595 . 1 1 52 52 SER H H 1 7.165 0.001 . 1 . . . A 66 SER H . 18393 1 596 . 1 1 52 52 SER HA H 1 4.813 0.008 . 1 . . . A 66 SER HA . 18393 1 597 . 1 1 52 52 SER HB2 H 1 4.106 0.005 . 2 . . . A 66 SER HB2 . 18393 1 598 . 1 1 52 52 SER HB3 H 1 3.869 0.006 . 2 . . . A 66 SER HB3 . 18393 1 599 . 1 1 52 52 SER C C 13 173.368 0.000 . 1 . . . A 66 SER C . 18393 1 600 . 1 1 52 52 SER CA C 13 55.463 0.000 . 1 . . . A 66 SER CA . 18393 1 601 . 1 1 52 52 SER CB C 13 66.775 0.019 . 1 . . . A 66 SER CB . 18393 1 602 . 1 1 52 52 SER N N 15 109.598 0.016 . 1 . . . A 66 SER N . 18393 1 603 . 1 1 53 53 VAL H H 1 8.522 0.005 . 1 . . . A 67 VAL H . 18393 1 604 . 1 1 53 53 VAL HA H 1 2.830 0.009 . 1 . . . A 67 VAL HA . 18393 1 605 . 1 1 53 53 VAL HB H 1 1.504 0.003 . 1 . . . A 67 VAL HB . 18393 1 606 . 1 1 53 53 VAL HG11 H 1 0.231 0.027 . 2 . . . A 67 VAL HG11 . 18393 1 607 . 1 1 53 53 VAL HG12 H 1 0.231 0.027 . 2 . . . A 67 VAL HG12 . 18393 1 608 . 1 1 53 53 VAL HG13 H 1 0.231 0.027 . 2 . . . A 67 VAL HG13 . 18393 1 609 . 1 1 53 53 VAL HG21 H 1 0.280 0.000 . 2 . . . A 67 VAL HG21 . 18393 1 610 . 1 1 53 53 VAL HG22 H 1 0.280 0.000 . 2 . . . A 67 VAL HG22 . 18393 1 611 . 1 1 53 53 VAL HG23 H 1 0.280 0.000 . 2 . . . A 67 VAL HG23 . 18393 1 612 . 1 1 53 53 VAL C C 13 177.116 0.000 . 1 . . . A 67 VAL C . 18393 1 613 . 1 1 53 53 VAL CA C 13 66.829 0.041 . 1 . . . A 67 VAL CA . 18393 1 614 . 1 1 53 53 VAL CB C 13 31.324 0.000 . 1 . . . A 67 VAL CB . 18393 1 615 . 1 1 53 53 VAL CG1 C 13 21.884 0.020 . 2 . . . A 67 VAL CG1 . 18393 1 616 . 1 1 53 53 VAL CG2 C 13 20.665 0.024 . 2 . . . A 67 VAL CG2 . 18393 1 617 . 1 1 53 53 VAL N N 15 124.347 0.035 . 1 . . . A 67 VAL N . 18393 1 618 . 1 1 54 54 LYS H H 1 8.098 0.005 . 1 . . . A 68 LYS H . 18393 1 619 . 1 1 54 54 LYS HA H 1 3.469 0.004 . 1 . . . A 68 LYS HA . 18393 1 620 . 1 1 54 54 LYS HB2 H 1 1.663 0.007 . 2 . . . A 68 LYS HB2 . 18393 1 621 . 1 1 54 54 LYS HB3 H 1 1.584 0.011 . 2 . . . A 68 LYS HB3 . 18393 1 622 . 1 1 54 54 LYS HG2 H 1 1.337 0.004 . 2 . . . A 68 LYS HG2 . 18393 1 623 . 1 1 54 54 LYS HG3 H 1 1.205 0.001 . 2 . . . A 68 LYS HG3 . 18393 1 624 . 1 1 54 54 LYS HD2 H 1 1.552 0.000 . 2 . . . A 68 LYS HD2 . 18393 1 625 . 1 1 54 54 LYS HD3 H 1 1.552 0.000 . 2 . . . A 68 LYS HD3 . 18393 1 626 . 1 1 54 54 LYS HE2 H 1 2.885 0.004 . 2 . . . A 68 LYS HE2 . 18393 1 627 . 1 1 54 54 LYS HE3 H 1 2.885 0.004 . 2 . . . A 68 LYS HE3 . 18393 1 628 . 1 1 54 54 LYS C C 13 178.286 0.000 . 1 . . . A 68 LYS C . 18393 1 629 . 1 1 54 54 LYS CA C 13 60.350 0.015 . 1 . . . A 68 LYS CA . 18393 1 630 . 1 1 54 54 LYS CB C 13 32.364 0.088 . 1 . . . A 68 LYS CB . 18393 1 631 . 1 1 54 54 LYS CG C 13 25.402 0.000 . 1 . . . A 68 LYS CG . 18393 1 632 . 1 1 54 54 LYS CD C 13 29.312 0.000 . 1 . . . A 68 LYS CD . 18393 1 633 . 1 1 54 54 LYS CE C 13 42.175 0.061 . 1 . . . A 68 LYS CE . 18393 1 634 . 1 1 54 54 LYS N N 15 118.639 0.141 . 1 . . . A 68 LYS N . 18393 1 635 . 1 1 55 55 LYS H H 1 7.499 0.004 . 1 . . . A 69 LYS H . 18393 1 636 . 1 1 55 55 LYS HA H 1 4.094 0.006 . 1 . . . A 69 LYS HA . 18393 1 637 . 1 1 55 55 LYS HB2 H 1 1.903 0.005 . 2 . . . A 69 LYS HB2 . 18393 1 638 . 1 1 55 55 LYS HB3 H 1 1.903 0.005 . 2 . . . A 69 LYS HB3 . 18393 1 639 . 1 1 55 55 LYS HG2 H 1 1.498 0.009 . 2 . . . A 69 LYS HG2 . 18393 1 640 . 1 1 55 55 LYS HG3 H 1 1.498 0.009 . 2 . . . A 69 LYS HG3 . 18393 1 641 . 1 1 55 55 LYS HD2 H 1 1.701 0.005 . 2 . . . A 69 LYS HD2 . 18393 1 642 . 1 1 55 55 LYS HD3 H 1 1.701 0.005 . 2 . . . A 69 LYS HD3 . 18393 1 643 . 1 1 55 55 LYS HE2 H 1 3.016 0.008 . 2 . . . A 69 LYS HE2 . 18393 1 644 . 1 1 55 55 LYS HE3 H 1 3.016 0.008 . 2 . . . A 69 LYS HE3 . 18393 1 645 . 1 1 55 55 LYS C C 13 179.694 0.000 . 1 . . . A 69 LYS C . 18393 1 646 . 1 1 55 55 LYS CA C 13 58.828 0.074 . 1 . . . A 69 LYS CA . 18393 1 647 . 1 1 55 55 LYS CB C 13 32.839 0.172 . 1 . . . A 69 LYS CB . 18393 1 648 . 1 1 55 55 LYS CG C 13 26.667 0.028 . 1 . . . A 69 LYS CG . 18393 1 649 . 1 1 55 55 LYS CD C 13 29.394 0.000 . 1 . . . A 69 LYS CD . 18393 1 650 . 1 1 55 55 LYS CE C 13 41.880 0.135 . 1 . . . A 69 LYS CE . 18393 1 651 . 1 1 55 55 LYS N N 15 115.388 0.012 . 1 . . . A 69 LYS N . 18393 1 652 . 1 1 56 56 ALA H H 1 8.296 0.006 . 1 . . . A 70 ALA H . 18393 1 653 . 1 1 56 56 ALA HA H 1 4.149 0.006 . 1 . . . A 70 ALA HA . 18393 1 654 . 1 1 56 56 ALA HB1 H 1 1.803 0.004 . 1 . . . A 70 ALA HB1 . 18393 1 655 . 1 1 56 56 ALA HB2 H 1 1.803 0.004 . 1 . . . A 70 ALA HB2 . 18393 1 656 . 1 1 56 56 ALA HB3 H 1 1.803 0.004 . 1 . . . A 70 ALA HB3 . 18393 1 657 . 1 1 56 56 ALA C C 13 181.217 0.000 . 1 . . . A 70 ALA C . 18393 1 658 . 1 1 56 56 ALA CA C 13 55.716 0.034 . 1 . . . A 70 ALA CA . 18393 1 659 . 1 1 56 56 ALA CB C 13 20.510 0.019 . 1 . . . A 70 ALA CB . 18393 1 660 . 1 1 56 56 ALA N N 15 124.226 0.016 . 1 . . . A 70 ALA N . 18393 1 661 . 1 1 57 57 LYS H H 1 8.385 0.003 . 1 . . . A 71 LYS H . 18393 1 662 . 1 1 57 57 LYS HA H 1 3.643 0.005 . 1 . . . A 71 LYS HA . 18393 1 663 . 1 1 57 57 LYS HB2 H 1 1.450 0.004 . 2 . . . A 71 LYS HB2 . 18393 1 664 . 1 1 57 57 LYS HB3 H 1 1.059 0.004 . 2 . . . A 71 LYS HB3 . 18393 1 665 . 1 1 57 57 LYS HG2 H 1 0.475 0.010 . 2 . . . A 71 LYS HG2 . 18393 1 666 . 1 1 57 57 LYS HG3 H 1 -0.041 0.002 . 2 . . . A 71 LYS HG3 . 18393 1 667 . 1 1 57 57 LYS C C 13 177.937 0.000 . 1 . . . A 71 LYS C . 18393 1 668 . 1 1 57 57 LYS CA C 13 61.087 0.064 . 1 . . . A 71 LYS CA . 18393 1 669 . 1 1 57 57 LYS CB C 13 32.128 0.206 . 1 . . . A 71 LYS CB . 18393 1 670 . 1 1 57 57 LYS CG C 13 26.543 0.111 . 1 . . . A 71 LYS CG . 18393 1 671 . 1 1 57 57 LYS N N 15 120.522 0.009 . 1 . . . A 71 LYS N . 18393 1 672 . 1 1 58 58 ASP H H 1 8.029 0.004 . 1 . . . A 72 ASP H . 18393 1 673 . 1 1 58 58 ASP HA H 1 4.306 0.005 . 1 . . . A 72 ASP HA . 18393 1 674 . 1 1 58 58 ASP HB2 H 1 2.875 0.000 . 2 . . . A 72 ASP HB2 . 18393 1 675 . 1 1 58 58 ASP HB3 H 1 2.771 0.007 . 2 . . . A 72 ASP HB3 . 18393 1 676 . 1 1 58 58 ASP C C 13 177.042 0.000 . 1 . . . A 72 ASP C . 18393 1 677 . 1 1 58 58 ASP CA C 13 58.140 0.000 . 1 . . . A 72 ASP CA . 18393 1 678 . 1 1 58 58 ASP CB C 13 40.125 0.165 . 1 . . . A 72 ASP CB . 18393 1 679 . 1 1 58 58 ASP N N 15 119.428 0.005 . 1 . . . A 72 ASP N . 18393 1 680 . 1 1 59 59 SER H H 1 7.785 0.003 . 1 . . . A 73 SER H . 18393 1 681 . 1 1 59 59 SER HA H 1 4.243 0.001 . 1 . . . A 73 SER HA . 18393 1 682 . 1 1 59 59 SER HB2 H 1 4.247 0.000 . 2 . . . A 73 SER HB2 . 18393 1 683 . 1 1 59 59 SER HB3 H 1 4.247 0.000 . 2 . . . A 73 SER HB3 . 18393 1 684 . 1 1 59 59 SER C C 13 177.000 0.000 . 1 . . . A 73 SER C . 18393 1 685 . 1 1 59 59 SER CA C 13 63.579 0.016 . 1 . . . A 73 SER CA . 18393 1 686 . 1 1 59 59 SER CB C 13 60.947 0.055 . 1 . . . A 73 SER CB . 18393 1 687 . 1 1 59 59 SER N N 15 111.435 0.000 . 1 . . . A 73 SER N . 18393 1 688 . 1 1 60 60 ALA H H 1 7.472 0.004 . 1 . . . A 74 ALA H . 18393 1 689 . 1 1 60 60 ALA HA H 1 3.963 0.008 . 1 . . . A 74 ALA HA . 18393 1 690 . 1 1 60 60 ALA HB1 H 1 1.620 0.010 . 1 . . . A 74 ALA HB1 . 18393 1 691 . 1 1 60 60 ALA HB2 H 1 1.620 0.010 . 1 . . . A 74 ALA HB2 . 18393 1 692 . 1 1 60 60 ALA HB3 H 1 1.620 0.010 . 1 . . . A 74 ALA HB3 . 18393 1 693 . 1 1 60 60 ALA C C 13 178.170 0.000 . 1 . . . A 74 ALA C . 18393 1 694 . 1 1 60 60 ALA CA C 13 55.498 0.125 . 1 . . . A 74 ALA CA . 18393 1 695 . 1 1 60 60 ALA CB C 13 17.911 0.036 . 1 . . . A 74 ALA CB . 18393 1 696 . 1 1 60 60 ALA N N 15 120.363 0.010 . 1 . . . A 74 ALA N . 18393 1 697 . 1 1 61 61 ALA H H 1 8.653 0.006 . 1 . . . A 75 ALA H . 18393 1 698 . 1 1 61 61 ALA HA H 1 3.948 0.006 . 1 . . . A 75 ALA HA . 18393 1 699 . 1 1 61 61 ALA HB1 H 1 1.700 0.007 . 1 . . . A 75 ALA HB1 . 18393 1 700 . 1 1 61 61 ALA HB2 H 1 1.700 0.007 . 1 . . . A 75 ALA HB2 . 18393 1 701 . 1 1 61 61 ALA HB3 H 1 1.700 0.007 . 1 . . . A 75 ALA HB3 . 18393 1 702 . 1 1 61 61 ALA C C 13 179.341 0.000 . 1 . . . A 75 ALA C . 18393 1 703 . 1 1 61 61 ALA CA C 13 55.660 0.036 . 1 . . . A 75 ALA CA . 18393 1 704 . 1 1 61 61 ALA CB C 13 18.942 0.055 . 1 . . . A 75 ALA CB . 18393 1 705 . 1 1 61 61 ALA N N 15 118.116 0.013 . 1 . . . A 75 ALA N . 18393 1 706 . 1 1 62 62 VAL H H 1 8.124 0.005 . 1 . . . A 76 VAL H . 18393 1 707 . 1 1 62 62 VAL HA H 1 3.656 0.004 . 1 . . . A 76 VAL HA . 18393 1 708 . 1 1 62 62 VAL HB H 1 2.193 0.004 . 1 . . . A 76 VAL HB . 18393 1 709 . 1 1 62 62 VAL HG11 H 1 1.072 0.008 . 2 . . . A 76 VAL HG11 . 18393 1 710 . 1 1 62 62 VAL HG12 H 1 1.072 0.008 . 2 . . . A 76 VAL HG12 . 18393 1 711 . 1 1 62 62 VAL HG13 H 1 1.072 0.008 . 2 . . . A 76 VAL HG13 . 18393 1 712 . 1 1 62 62 VAL HG21 H 1 1.091 0.013 . 2 . . . A 76 VAL HG21 . 18393 1 713 . 1 1 62 62 VAL HG22 H 1 1.091 0.013 . 2 . . . A 76 VAL HG22 . 18393 1 714 . 1 1 62 62 VAL HG23 H 1 1.091 0.013 . 2 . . . A 76 VAL HG23 . 18393 1 715 . 1 1 62 62 VAL C C 13 178.051 0.000 . 1 . . . A 76 VAL C . 18393 1 716 . 1 1 62 62 VAL CA C 13 66.651 0.041 . 1 . . . A 76 VAL CA . 18393 1 717 . 1 1 62 62 VAL CB C 13 31.847 0.043 . 1 . . . A 76 VAL CB . 18393 1 718 . 1 1 62 62 VAL CG1 C 13 21.388 0.000 . 2 . . . A 76 VAL CG1 . 18393 1 719 . 1 1 62 62 VAL CG2 C 13 22.966 0.009 . 2 . . . A 76 VAL CG2 . 18393 1 720 . 1 1 62 62 VAL N N 15 115.858 0.007 . 1 . . . A 76 VAL N . 18393 1 721 . 1 1 63 63 LEU H H 1 7.038 0.005 . 1 . . . A 77 LEU H . 18393 1 722 . 1 1 63 63 LEU HA H 1 4.189 0.022 . 1 . . . A 77 LEU HA . 18393 1 723 . 1 1 63 63 LEU HB2 H 1 1.956 0.004 . 2 . . . A 77 LEU HB2 . 18393 1 724 . 1 1 63 63 LEU HB3 H 1 1.560 0.005 . 2 . . . A 77 LEU HB3 . 18393 1 725 . 1 1 63 63 LEU HG H 1 1.851 0.000 . 1 . . . A 77 LEU HG . 18393 1 726 . 1 1 63 63 LEU C C 13 179.692 0.000 . 1 . . . A 77 LEU C . 18393 1 727 . 1 1 63 63 LEU CA C 13 57.584 0.000 . 1 . . . A 77 LEU CA . 18393 1 728 . 1 1 63 63 LEU CB C 13 41.916 0.031 . 1 . . . A 77 LEU CB . 18393 1 729 . 1 1 63 63 LEU CG C 13 27.079 0.000 . 1 . . . A 77 LEU CG . 18393 1 730 . 1 1 63 63 LEU CD1 C 13 23.230 0.000 . 2 . . . A 77 LEU CD1 . 18393 1 731 . 1 1 63 63 LEU CD2 C 13 25.229 0.000 . 2 . . . A 77 LEU CD2 . 18393 1 732 . 1 1 63 63 LEU N N 15 119.881 0.034 . 1 . . . A 77 LEU N . 18393 1 733 . 1 1 64 64 LEU H H 1 7.694 0.005 . 1 . . . A 78 LEU H . 18393 1 734 . 1 1 64 64 LEU HA H 1 4.528 0.004 . 1 . . . A 78 LEU HA . 18393 1 735 . 1 1 64 64 LEU HB2 H 1 1.897 0.010 . 2 . . . A 78 LEU HB2 . 18393 1 736 . 1 1 64 64 LEU HB3 H 1 1.437 0.004 . 2 . . . A 78 LEU HB3 . 18393 1 737 . 1 1 64 64 LEU HG H 1 1.727 0.000 . 1 . . . A 78 LEU HG . 18393 1 738 . 1 1 64 64 LEU HD11 H 1 0.947 0.007 . 2 . . . A 78 LEU HD11 . 18393 1 739 . 1 1 64 64 LEU HD12 H 1 0.947 0.007 . 2 . . . A 78 LEU HD12 . 18393 1 740 . 1 1 64 64 LEU HD13 H 1 0.947 0.007 . 2 . . . A 78 LEU HD13 . 18393 1 741 . 1 1 64 64 LEU HD21 H 1 0.947 0.007 . 2 . . . A 78 LEU HD21 . 18393 1 742 . 1 1 64 64 LEU HD22 H 1 0.947 0.007 . 2 . . . A 78 LEU HD22 . 18393 1 743 . 1 1 64 64 LEU HD23 H 1 0.947 0.007 . 2 . . . A 78 LEU HD23 . 18393 1 744 . 1 1 64 64 LEU C C 13 178.601 0.000 . 1 . . . A 78 LEU C . 18393 1 745 . 1 1 64 64 LEU CA C 13 57.458 0.074 . 1 . . . A 78 LEU CA . 18393 1 746 . 1 1 64 64 LEU CB C 13 41.254 0.146 . 1 . . . A 78 LEU CB . 18393 1 747 . 1 1 64 64 LEU CG C 13 27.560 0.000 . 1 . . . A 78 LEU CG . 18393 1 748 . 1 1 64 64 LEU CD1 C 13 23.230 0.000 . 2 . . . A 78 LEU CD1 . 18393 1 749 . 1 1 64 64 LEU CD2 C 13 27.566 0.082 . 2 . . . A 78 LEU CD2 . 18393 1 750 . 1 1 64 64 LEU N N 15 122.083 0.041 . 1 . . . A 78 LEU N . 18393 1 751 . 1 1 65 65 LEU H H 1 8.671 0.008 . 1 . . . A 79 LEU H . 18393 1 752 . 1 1 65 65 LEU HA H 1 3.864 0.005 . 1 . . . A 79 LEU HA . 18393 1 753 . 1 1 65 65 LEU HB2 H 1 1.803 0.002 . 2 . . . A 79 LEU HB2 . 18393 1 754 . 1 1 65 65 LEU HB3 H 1 1.487 0.006 . 2 . . . A 79 LEU HB3 . 18393 1 755 . 1 1 65 65 LEU HG H 1 1.750 0.000 . 1 . . . A 79 LEU HG . 18393 1 756 . 1 1 65 65 LEU HD11 H 1 0.768 0.010 . 2 . . . A 79 LEU HD11 . 18393 1 757 . 1 1 65 65 LEU HD12 H 1 0.768 0.010 . 2 . . . A 79 LEU HD12 . 18393 1 758 . 1 1 65 65 LEU HD13 H 1 0.768 0.010 . 2 . . . A 79 LEU HD13 . 18393 1 759 . 1 1 65 65 LEU HD21 H 1 0.768 0.010 . 2 . . . A 79 LEU HD21 . 18393 1 760 . 1 1 65 65 LEU HD22 H 1 0.768 0.010 . 2 . . . A 79 LEU HD22 . 18393 1 761 . 1 1 65 65 LEU HD23 H 1 0.768 0.010 . 2 . . . A 79 LEU HD23 . 18393 1 762 . 1 1 65 65 LEU C C 13 178.861 0.000 . 1 . . . A 79 LEU C . 18393 1 763 . 1 1 65 65 LEU CA C 13 58.477 0.139 . 1 . . . A 79 LEU CA . 18393 1 764 . 1 1 65 65 LEU CB C 13 41.618 0.049 . 1 . . . A 79 LEU CB . 18393 1 765 . 1 1 65 65 LEU CG C 13 27.254 0.000 . 1 . . . A 79 LEU CG . 18393 1 766 . 1 1 65 65 LEU CD1 C 13 23.230 0.000 . 2 . . . A 79 LEU CD1 . 18393 1 767 . 1 1 65 65 LEU CD2 C 13 25.249 0.064 . 2 . . . A 79 LEU CD2 . 18393 1 768 . 1 1 65 65 LEU N N 15 120.548 0.020 . 1 . . . A 79 LEU N . 18393 1 769 . 1 1 66 66 GLU H H 1 7.613 0.005 . 1 . . . A 80 GLU H . 18393 1 770 . 1 1 66 66 GLU HA H 1 4.059 0.004 . 1 . . . A 80 GLU HA . 18393 1 771 . 1 1 66 66 GLU HB2 H 1 2.206 0.005 . 2 . . . A 80 GLU HB2 . 18393 1 772 . 1 1 66 66 GLU HB3 H 1 2.138 0.014 . 2 . . . A 80 GLU HB3 . 18393 1 773 . 1 1 66 66 GLU HG2 H 1 2.493 0.004 . 2 . . . A 80 GLU HG2 . 18393 1 774 . 1 1 66 66 GLU HG3 H 1 2.285 0.001 . 2 . . . A 80 GLU HG3 . 18393 1 775 . 1 1 66 66 GLU C C 13 178.957 0.000 . 1 . . . A 80 GLU C . 18393 1 776 . 1 1 66 66 GLU CA C 13 59.336 0.049 . 1 . . . A 80 GLU CA . 18393 1 777 . 1 1 66 66 GLU CB C 13 29.381 0.231 . 1 . . . A 80 GLU CB . 18393 1 778 . 1 1 66 66 GLU CG C 13 36.364 0.024 . 1 . . . A 80 GLU CG . 18393 1 779 . 1 1 66 66 GLU N N 15 117.398 0.022 . 1 . . . A 80 GLU N . 18393 1 780 . 1 1 67 67 LEU H H 1 7.656 0.008 . 1 . . . A 81 LEU H . 18393 1 781 . 1 1 67 67 LEU HA H 1 4.160 0.005 . 1 . . . A 81 LEU HA . 18393 1 782 . 1 1 67 67 LEU HB2 H 1 1.980 0.007 . 2 . . . A 81 LEU HB2 . 18393 1 783 . 1 1 67 67 LEU HB3 H 1 1.858 0.005 . 2 . . . A 81 LEU HB3 . 18393 1 784 . 1 1 67 67 LEU HG H 1 1.721 0.001 . 1 . . . A 81 LEU HG . 18393 1 785 . 1 1 67 67 LEU HD11 H 1 0.940 0.008 . 2 . . . A 81 LEU HD11 . 18393 1 786 . 1 1 67 67 LEU HD12 H 1 0.940 0.008 . 2 . . . A 81 LEU HD12 . 18393 1 787 . 1 1 67 67 LEU HD13 H 1 0.940 0.008 . 2 . . . A 81 LEU HD13 . 18393 1 788 . 1 1 67 67 LEU HD21 H 1 0.939 0.009 . 2 . . . A 81 LEU HD21 . 18393 1 789 . 1 1 67 67 LEU HD22 H 1 0.939 0.009 . 2 . . . A 81 LEU HD22 . 18393 1 790 . 1 1 67 67 LEU HD23 H 1 0.939 0.009 . 2 . . . A 81 LEU HD23 . 18393 1 791 . 1 1 67 67 LEU C C 13 180.162 0.000 . 1 . . . A 81 LEU C . 18393 1 792 . 1 1 67 67 LEU CA C 13 58.113 0.000 . 1 . . . A 81 LEU CA . 18393 1 793 . 1 1 67 67 LEU CB C 13 42.057 0.098 . 1 . . . A 81 LEU CB . 18393 1 794 . 1 1 67 67 LEU CG C 13 27.015 0.000 . 1 . . . A 81 LEU CG . 18393 1 795 . 1 1 67 67 LEU CD1 C 13 25.336 0.063 . 2 . . . A 81 LEU CD1 . 18393 1 796 . 1 1 67 67 LEU CD2 C 13 25.110 0.000 . 2 . . . A 81 LEU CD2 . 18393 1 797 . 1 1 67 67 LEU N N 15 120.633 0.110 . 1 . . . A 81 LEU N . 18393 1 798 . 1 1 68 68 LEU H H 1 8.583 0.005 . 1 . . . A 82 LEU H . 18393 1 799 . 1 1 68 68 LEU HA H 1 4.163 0.009 . 1 . . . A 82 LEU HA . 18393 1 800 . 1 1 68 68 LEU HB2 H 1 1.930 0.008 . 2 . . . A 82 LEU HB2 . 18393 1 801 . 1 1 68 68 LEU HB3 H 1 1.565 0.006 . 2 . . . A 82 LEU HB3 . 18393 1 802 . 1 1 68 68 LEU HG H 1 1.712 0.000 . 1 . . . A 82 LEU HG . 18393 1 803 . 1 1 68 68 LEU HD11 H 1 0.916 0.010 . 2 . . . A 82 LEU HD11 . 18393 1 804 . 1 1 68 68 LEU HD12 H 1 0.916 0.010 . 2 . . . A 82 LEU HD12 . 18393 1 805 . 1 1 68 68 LEU HD13 H 1 0.916 0.010 . 2 . . . A 82 LEU HD13 . 18393 1 806 . 1 1 68 68 LEU HD21 H 1 0.915 0.014 . 2 . . . A 82 LEU HD21 . 18393 1 807 . 1 1 68 68 LEU HD22 H 1 0.915 0.014 . 2 . . . A 82 LEU HD22 . 18393 1 808 . 1 1 68 68 LEU HD23 H 1 0.915 0.014 . 2 . . . A 82 LEU HD23 . 18393 1 809 . 1 1 68 68 LEU C C 13 178.289 0.000 . 1 . . . A 82 LEU C . 18393 1 810 . 1 1 68 68 LEU CA C 13 57.855 0.000 . 1 . . . A 82 LEU CA . 18393 1 811 . 1 1 68 68 LEU CB C 13 42.018 0.128 . 1 . . . A 82 LEU CB . 18393 1 812 . 1 1 68 68 LEU CG C 13 27.888 0.000 . 1 . . . A 82 LEU CG . 18393 1 813 . 1 1 68 68 LEU CD1 C 13 26.749 0.043 . 2 . . . A 82 LEU CD1 . 18393 1 814 . 1 1 68 68 LEU CD2 C 13 22.585 0.323 . 2 . . . A 82 LEU CD2 . 18393 1 815 . 1 1 68 68 LEU N N 15 118.949 0.015 . 1 . . . A 82 LEU N . 18393 1 816 . 1 1 69 69 ASN H H 1 7.920 0.004 . 1 . . . A 83 ASN H . 18393 1 817 . 1 1 69 69 ASN HA H 1 4.729 0.013 . 1 . . . A 83 ASN HA . 18393 1 818 . 1 1 69 69 ASN HB2 H 1 2.919 0.000 . 2 . . . A 83 ASN HB2 . 18393 1 819 . 1 1 69 69 ASN HB3 H 1 2.822 0.015 . 2 . . . A 83 ASN HB3 . 18393 1 820 . 1 1 69 69 ASN HD22 H 1 6.729 0.000 . 2 . . . A 83 ASN HD22 . 18393 1 821 . 1 1 69 69 ASN C C 13 174.784 0.000 . 1 . . . A 83 ASN C . 18393 1 822 . 1 1 69 69 ASN CA C 13 53.739 0.011 . 1 . . . A 83 ASN CA . 18393 1 823 . 1 1 69 69 ASN CB C 13 39.148 0.143 . 1 . . . A 83 ASN CB . 18393 1 824 . 1 1 69 69 ASN N N 15 116.570 0.007 . 1 . . . A 83 ASN N . 18393 1 825 . 1 1 69 69 ASN ND2 N 15 109.441 0.000 . 1 . . . A 83 ASN ND2 . 18393 1 826 . 1 1 70 70 LYS H H 1 7.593 0.006 . 1 . . . A 84 LYS H . 18393 1 827 . 1 1 70 70 LYS HA H 1 4.404 0.005 . 1 . . . A 84 LYS HA . 18393 1 828 . 1 1 70 70 LYS HB2 H 1 1.948 0.003 . 2 . . . A 84 LYS HB2 . 18393 1 829 . 1 1 70 70 LYS HB3 H 1 1.945 0.005 . 2 . . . A 84 LYS HB3 . 18393 1 830 . 1 1 70 70 LYS HG2 H 1 1.613 0.000 . 2 . . . A 84 LYS HG2 . 18393 1 831 . 1 1 70 70 LYS HG3 H 1 1.582 0.000 . 2 . . . A 84 LYS HG3 . 18393 1 832 . 1 1 70 70 LYS HD2 H 1 1.712 0.000 . 2 . . . A 84 LYS HD2 . 18393 1 833 . 1 1 70 70 LYS HD3 H 1 1.712 0.000 . 2 . . . A 84 LYS HD3 . 18393 1 834 . 1 1 70 70 LYS C C 13 175.910 0.000 . 1 . . . A 84 LYS C . 18393 1 835 . 1 1 70 70 LYS CA C 13 56.836 0.022 . 1 . . . A 84 LYS CA . 18393 1 836 . 1 1 70 70 LYS CB C 13 32.999 0.000 . 1 . . . A 84 LYS CB . 18393 1 837 . 1 1 70 70 LYS CG C 13 24.610 0.000 . 1 . . . A 84 LYS CG . 18393 1 838 . 1 1 70 70 LYS CD C 13 29.286 0.000 . 1 . . . A 84 LYS CD . 18393 1 839 . 1 1 70 70 LYS CE C 13 41.976 0.000 . 1 . . . A 84 LYS CE . 18393 1 840 . 1 1 70 70 LYS N N 15 120.363 0.009 . 1 . . . A 84 LYS N . 18393 1 841 . 1 1 71 71 THR H H 1 7.679 0.006 . 1 . . . A 85 THR H . 18393 1 842 . 1 1 71 71 THR HA H 1 4.164 0.006 . 1 . . . A 85 THR HA . 18393 1 843 . 1 1 71 71 THR HB H 1 4.247 0.000 . 1 . . . A 85 THR HB . 18393 1 844 . 1 1 71 71 THR HG21 H 1 1.201 0.001 . 1 . . . A 85 THR HG21 . 18393 1 845 . 1 1 71 71 THR HG22 H 1 1.201 0.001 . 1 . . . A 85 THR HG22 . 18393 1 846 . 1 1 71 71 THR HG23 H 1 1.201 0.001 . 1 . . . A 85 THR HG23 . 18393 1 847 . 1 1 71 71 THR C C 13 179.110 0.000 . 1 . . . A 85 THR C . 18393 1 848 . 1 1 71 71 THR CA C 13 63.538 0.080 . 1 . . . A 85 THR CA . 18393 1 849 . 1 1 71 71 THR CB C 13 70.962 0.000 . 1 . . . A 85 THR CB . 18393 1 850 . 1 1 71 71 THR CG2 C 13 22.062 0.000 . 1 . . . A 85 THR CG2 . 18393 1 851 . 1 1 71 71 THR N N 15 120.405 0.018 . 1 . . . A 85 THR N . 18393 1 stop_ save_