data_25656 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25656 _Entry.Title ; NMR Assignments and structure of Translation initiation factor IF-1 from Burkholderia thailandensis E264. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-06-09 _Entry.Accession_date 2015-06-09 _Entry.Last_release_date 2015-06-23 _Entry.Original_release_date 2015-06-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 10 STRUCTURES' _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 'Ravi Pratap' Barnwal . . . 25656 2 Gabriele Varani . . . 25656 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 SSGCID 'Seattle Structural Genomics Center for Infectious Disease' . 25656 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Burkholderia thailandensis' . 25656 NMR . 25656 'Translation initiation factor' . 25656 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25656 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 281 25656 '15N chemical shifts' 71 25656 '1H chemical shifts' 368 25656 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-06-23 . original BMRB . 25656 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N3S 'BMRB Entry Tracking System' 25656 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25656 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR Assignments and structure of Translation initiation factor IF-1 from Burkholderia thailandensis E264. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 'Ravi Pratap' Barnwal . . . 25656 1 2 Gabriele Varani . . . 25656 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25656 _Assembly.ID 1 _Assembly.Name 'Translation initiation factor IF-1 from Burkholderia thailandensis E264' _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 'Translation initiation factor IF-1' 1 $entity A . yes native no no . . . 25656 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25656 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAKDDVIQMQGEVIENLPNA TFRVKLENGHVVLGHISGKM RMHYIRILPGDKVTVELTPY DLSRARIVFRAK ; _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 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8231.756 _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 2N3S . "Nmr Assignments And Structure Of Translation Initiation Factor If-1 From Burkholderia Thailandensis E264." . . . . . 100.00 72 100.00 100.00 2.86e-44 . . . . 25656 1 2 no DBJ BAG44869 . "translation initiation factor IF-1 [Burkholderia multivorans ATCC 17616]" . . . . . 100.00 72 100.00 100.00 2.86e-44 . . . . 25656 1 3 no DBJ BAO87561 . "translation initiation factor IF-1 [Burkholderia sp. RPE67]" . . . . . 100.00 72 100.00 100.00 2.86e-44 . . . . 25656 1 4 no EMBL CAD16707 . "probable translation initiation factor if-1 1 protein [Ralstonia solanacearum GMI1000]" . . . . . 100.00 72 98.61 98.61 2.69e-43 . . . . 25656 1 5 no EMBL CAH37203 . "translation initiation factor IF-1 [Burkholderia pseudomallei K96243]" . . . . . 100.00 72 100.00 100.00 2.86e-44 . . . . 25656 1 6 no EMBL CAR50566 . "translation initiation factor IF-1 1 [Burkholderia cenocepacia J2315]" . . . . . 100.00 72 100.00 100.00 2.86e-44 . . . . 25656 1 7 no EMBL CBJ36605 . "Translation initiation factor IF-1 [Ralstonia solanacearum CMR15]" . . . . . 100.00 72 98.61 100.00 4.28e-44 . . . . 25656 1 8 no EMBL CBJ41758 . "Translation initiation factor IF-1 [Ralstonia solanacearum CFBP2957]" . . . . . 100.00 72 97.22 98.61 2.03e-43 . . . . 25656 1 9 no GB AAU47849 . "translation initiation factor IF-1 [Burkholderia mallei ATCC 23344]" . . . . . 100.00 72 98.61 98.61 9.58e-44 . . . . 25656 1 10 no GB ABA49847 . "translation initiation factor IF-1 [Burkholderia pseudomallei 1710b]" . . . . . 100.00 72 100.00 100.00 2.86e-44 . . . . 25656 1 11 no GB ABB07070 . "bacterial translation initiation factor 1 (bIF-1) [Burkholderia lata]" . . . . . 100.00 72 100.00 100.00 2.86e-44 . . . . 25656 1 12 no GB ABC39541 . "translation initiation factor IF-1 [Burkholderia thailandensis E264]" . . . . . 100.00 72 100.00 100.00 2.86e-44 . . . . 25656 1 13 no GB ABD71909 . "bacterial translation initiation factor 1 (bIF-1) [Rhodoferax ferrireducens T118]" . . . . . 100.00 72 97.22 100.00 1.23e-43 . . . . 25656 1 14 no REF WP_003264140 . "MULTISPECIES: translation initiation factor IF-1 [Proteobacteria]" . . . . . 100.00 72 98.61 100.00 6.40e-44 . . . . 25656 1 15 no REF WP_003273618 . "translation initiation factor IF-1 [Ralstonia solanacearum]" . . . . . 88.89 64 98.44 100.00 8.83e-38 . . . . 25656 1 16 no REF WP_004185257 . "translation initiation factor IF-1 [Burkholderia mallei]" . . . . . 100.00 72 98.61 98.61 9.58e-44 . . . . 25656 1 17 no REF WP_004521905 . "MULTISPECIES: translation initiation factor IF-1 [Burkholderiales]" . . . . . 100.00 72 100.00 100.00 2.86e-44 . . . . 25656 1 18 no REF WP_006577442 . "MULTISPECIES: translation initiation factor IF-1 [Cupriavidus]" . . . . . 100.00 72 98.61 98.61 1.26e-43 . . . . 25656 1 19 no SP A0K3P6 . "RecName: Full=Translation initiation factor IF-1 1" . . . . . 100.00 72 100.00 100.00 2.86e-44 . . . . 25656 1 20 no SP A1V882 . "RecName: Full=Translation initiation factor IF-1" . . . . . 100.00 72 98.61 98.61 9.58e-44 . . . . 25656 1 21 no SP A2S7J7 . "RecName: Full=Translation initiation factor IF-1" . . . . . 100.00 72 98.61 98.61 9.58e-44 . . . . 25656 1 22 no SP A3MRX5 . "RecName: Full=Translation initiation factor IF-1" . . . . . 100.00 72 98.61 98.61 9.58e-44 . . . . 25656 1 23 no SP A3NEF8 . "RecName: Full=Translation initiation factor IF-1 2" . . . . . 100.00 72 100.00 100.00 2.86e-44 . . . . 25656 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 . MET . 25656 1 2 . ALA . 25656 1 3 . LYS . 25656 1 4 . ASP . 25656 1 5 . ASP . 25656 1 6 . VAL . 25656 1 7 . ILE . 25656 1 8 . GLN . 25656 1 9 . MET . 25656 1 10 . GLN . 25656 1 11 . GLY . 25656 1 12 . GLU . 25656 1 13 . VAL . 25656 1 14 . ILE . 25656 1 15 . GLU . 25656 1 16 . ASN . 25656 1 17 . LEU . 25656 1 18 . PRO . 25656 1 19 . ASN . 25656 1 20 . ALA . 25656 1 21 . THR . 25656 1 22 . PHE . 25656 1 23 . ARG . 25656 1 24 . VAL . 25656 1 25 . LYS . 25656 1 26 . LEU . 25656 1 27 . GLU . 25656 1 28 . ASN . 25656 1 29 . GLY . 25656 1 30 . HIS . 25656 1 31 . VAL . 25656 1 32 . VAL . 25656 1 33 . LEU . 25656 1 34 . GLY . 25656 1 35 . HIS . 25656 1 36 . ILE . 25656 1 37 . SER . 25656 1 38 . GLY . 25656 1 39 . LYS . 25656 1 40 . MET . 25656 1 41 . ARG . 25656 1 42 . MET . 25656 1 43 . HIS . 25656 1 44 . TYR . 25656 1 45 . ILE . 25656 1 46 . ARG . 25656 1 47 . ILE . 25656 1 48 . LEU . 25656 1 49 . PRO . 25656 1 50 . GLY . 25656 1 51 . ASP . 25656 1 52 . LYS . 25656 1 53 . VAL . 25656 1 54 . THR . 25656 1 55 . VAL . 25656 1 56 . GLU . 25656 1 57 . LEU . 25656 1 58 . THR . 25656 1 59 . PRO . 25656 1 60 . TYR . 25656 1 61 . ASP . 25656 1 62 . LEU . 25656 1 63 . SER . 25656 1 64 . ARG . 25656 1 65 . ALA . 25656 1 66 . ARG . 25656 1 67 . ILE . 25656 1 68 . VAL . 25656 1 69 . PHE . 25656 1 70 . ARG . 25656 1 71 . ALA . 25656 1 72 . LYS . 25656 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25656 1 . ALA 2 2 25656 1 . LYS 3 3 25656 1 . ASP 4 4 25656 1 . ASP 5 5 25656 1 . VAL 6 6 25656 1 . ILE 7 7 25656 1 . GLN 8 8 25656 1 . MET 9 9 25656 1 . GLN 10 10 25656 1 . GLY 11 11 25656 1 . GLU 12 12 25656 1 . VAL 13 13 25656 1 . ILE 14 14 25656 1 . GLU 15 15 25656 1 . ASN 16 16 25656 1 . LEU 17 17 25656 1 . PRO 18 18 25656 1 . ASN 19 19 25656 1 . ALA 20 20 25656 1 . THR 21 21 25656 1 . PHE 22 22 25656 1 . ARG 23 23 25656 1 . VAL 24 24 25656 1 . LYS 25 25 25656 1 . LEU 26 26 25656 1 . GLU 27 27 25656 1 . ASN 28 28 25656 1 . GLY 29 29 25656 1 . HIS 30 30 25656 1 . VAL 31 31 25656 1 . VAL 32 32 25656 1 . LEU 33 33 25656 1 . GLY 34 34 25656 1 . HIS 35 35 25656 1 . ILE 36 36 25656 1 . SER 37 37 25656 1 . GLY 38 38 25656 1 . LYS 39 39 25656 1 . MET 40 40 25656 1 . ARG 41 41 25656 1 . MET 42 42 25656 1 . HIS 43 43 25656 1 . TYR 44 44 25656 1 . ILE 45 45 25656 1 . ARG 46 46 25656 1 . ILE 47 47 25656 1 . LEU 48 48 25656 1 . PRO 49 49 25656 1 . GLY 50 50 25656 1 . ASP 51 51 25656 1 . LYS 52 52 25656 1 . VAL 53 53 25656 1 . THR 54 54 25656 1 . VAL 55 55 25656 1 . GLU 56 56 25656 1 . LEU 57 57 25656 1 . THR 58 58 25656 1 . PRO 59 59 25656 1 . TYR 60 60 25656 1 . ASP 61 61 25656 1 . LEU 62 62 25656 1 . SER 63 63 25656 1 . ARG 64 64 25656 1 . ALA 65 65 25656 1 . ARG 66 66 25656 1 . ILE 67 67 25656 1 . VAL 68 68 25656 1 . PHE 69 69 25656 1 . ARG 70 70 25656 1 . ALA 71 71 25656 1 . LYS 72 72 25656 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 25656 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 57975 organism . 'Burkholderia thailandensis' 'Burkholderia thailandensis' . . Bacteria . Burkholderia thailandensis E264 . . . . . . . . . . . . 25656 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 25656 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28-AVA . . . 25656 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25656 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Translation initiation factor IF-1' '[U-95% 13C; U-95% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 25656 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25656 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . pH 25656 1 pressure 1 . atm 25656 1 temperature 298 . K 25656 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25656 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25656 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25656 1 processing 25656 1 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 25656 _Software.ID 2 _Software.Name CCPNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25656 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25656 2 'data analysis' 25656 2 'peak picking' 25656 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25656 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25656 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25656 3 'structure solution' 25656 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25656 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25656 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25656 4 refinement 25656 4 'structure solution' 25656 4 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 25656 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25656 _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 . . . 25656 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 25656 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25656 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25656 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25656 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25656 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25656 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25656 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25656 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25656 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25656 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 25656 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25656 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25656 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25656 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 25656 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 25656 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25656 1 2 '2D 1H-13C HSQC' . . . 25656 1 3 '3D CBCA(CO)NH' . . . 25656 1 4 '3D HNCO' . . . 25656 1 6 '3D HBHA(CO)NH' . . . 25656 1 7 '3D HCCH-TOCSY' . . . 25656 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CCPNMR . . 25656 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 MET HA H 1 4.413 0.010 . . . . . A 1 MET HA . 25656 1 2 . 1 1 1 1 MET HB2 H 1 2.026 0.008 . . . . . A 1 MET HB2 . 25656 1 3 . 1 1 1 1 MET HB3 H 1 1.920 0.000 . . . . . A 1 MET HB3 . 25656 1 4 . 1 1 1 1 MET HG2 H 1 2.513 0.000 . . . . . A 1 MET HG2 . 25656 1 5 . 1 1 1 1 MET HG3 H 1 2.466 0.000 . . . . . A 1 MET HG3 . 25656 1 6 . 1 1 1 1 MET C C 13 175.829 0.000 . . . . . A 1 MET C . 25656 1 7 . 1 1 1 1 MET CA C 13 55.317 0.099 . . . . . A 1 MET CA . 25656 1 8 . 1 1 1 1 MET CB C 13 32.791 0.009 . . . . . A 1 MET CB . 25656 1 9 . 1 1 1 1 MET CG C 13 31.850 0.000 . . . . . A 1 MET CG . 25656 1 10 . 1 1 1 1 MET N N 15 122.204 0.039 . . . . . A 1 MET N . 25656 1 11 . 1 1 2 2 ALA H H 1 8.245 0.007 . . . . . A 2 ALA H . 25656 1 12 . 1 1 2 2 ALA HA H 1 4.243 0.013 . . . . . A 2 ALA HA . 25656 1 13 . 1 1 2 2 ALA HB1 H 1 1.302 0.012 . . . . . A 2 ALA HB1 . 25656 1 14 . 1 1 2 2 ALA HB2 H 1 1.302 0.012 . . . . . A 2 ALA HB2 . 25656 1 15 . 1 1 2 2 ALA HB3 H 1 1.302 0.012 . . . . . A 2 ALA HB3 . 25656 1 16 . 1 1 2 2 ALA C C 13 177.715 0.016 . . . . . A 2 ALA C . 25656 1 17 . 1 1 2 2 ALA CA C 13 52.443 0.013 . . . . . A 2 ALA CA . 25656 1 18 . 1 1 2 2 ALA CB C 13 19.244 0.086 . . . . . A 2 ALA CB . 25656 1 19 . 1 1 2 2 ALA N N 15 125.535 0.040 . . . . . A 2 ALA N . 25656 1 20 . 1 1 3 3 LYS H H 1 8.233 0.010 . . . . . A 3 LYS H . 25656 1 21 . 1 1 3 3 LYS HA H 1 4.208 0.003 . . . . . A 3 LYS HA . 25656 1 22 . 1 1 3 3 LYS HB2 H 1 1.746 0.001 . . . . . A 3 LYS HB2 . 25656 1 23 . 1 1 3 3 LYS HB3 H 1 1.694 0.000 . . . . . A 3 LYS HB3 . 25656 1 24 . 1 1 3 3 LYS HG2 H 1 1.338 0.000 . . . . . A 3 LYS HG2 . 25656 1 25 . 1 1 3 3 LYS HD2 H 1 1.604 0.000 . . . . . A 3 LYS HD2 . 25656 1 26 . 1 1 3 3 LYS HE2 H 1 2.905 0.000 . . . . . A 3 LYS HE2 . 25656 1 27 . 1 1 3 3 LYS C C 13 176.294 0.010 . . . . . A 3 LYS C . 25656 1 28 . 1 1 3 3 LYS CA C 13 56.446 0.028 . . . . . A 3 LYS CA . 25656 1 29 . 1 1 3 3 LYS CB C 13 32.804 0.023 . . . . . A 3 LYS CB . 25656 1 30 . 1 1 3 3 LYS CG C 13 24.407 0.000 . . . . . A 3 LYS CG . 25656 1 31 . 1 1 3 3 LYS CD C 13 28.842 0.000 . . . . . A 3 LYS CD . 25656 1 32 . 1 1 3 3 LYS CE C 13 41.953 0.000 . . . . . A 3 LYS CE . 25656 1 33 . 1 1 3 3 LYS N N 15 120.509 0.046 . . . . . A 3 LYS N . 25656 1 34 . 1 1 4 4 ASP H H 1 8.185 0.006 . . . . . A 4 ASP H . 25656 1 35 . 1 1 4 4 ASP HA H 1 4.563 0.006 . . . . . A 4 ASP HA . 25656 1 36 . 1 1 4 4 ASP HB2 H 1 2.615 0.000 . . . . . A 4 ASP HB2 . 25656 1 37 . 1 1 4 4 ASP HB3 H 1 2.568 0.000 . . . . . A 4 ASP HB3 . 25656 1 38 . 1 1 4 4 ASP C C 13 175.657 0.009 . . . . . A 4 ASP C . 25656 1 39 . 1 1 4 4 ASP CA C 13 54.278 0.000 . . . . . A 4 ASP CA . 25656 1 40 . 1 1 4 4 ASP CB C 13 41.054 0.000 . . . . . A 4 ASP CB . 25656 1 41 . 1 1 4 4 ASP N N 15 120.299 0.035 . . . . . A 4 ASP N . 25656 1 42 . 1 1 5 5 ASP H H 1 8.082 0.004 . . . . . A 5 ASP H . 25656 1 43 . 1 1 5 5 ASP HA H 1 4.525 0.000 . . . . . A 5 ASP HA . 25656 1 44 . 1 1 5 5 ASP HB2 H 1 2.595 0.000 . . . . . A 5 ASP HB2 . 25656 1 45 . 1 1 5 5 ASP C C 13 175.396 0.032 . . . . . A 5 ASP C . 25656 1 46 . 1 1 5 5 ASP CA C 13 54.433 0.000 . . . . . A 5 ASP CA . 25656 1 47 . 1 1 5 5 ASP CB C 13 41.072 0.000 . . . . . A 5 ASP CB . 25656 1 48 . 1 1 5 5 ASP N N 15 120.293 0.020 . . . . . A 5 ASP N . 25656 1 49 . 1 1 6 6 VAL H H 1 7.692 0.007 . . . . . A 6 VAL H . 25656 1 50 . 1 1 6 6 VAL HA H 1 4.384 0.005 . . . . . A 6 VAL HA . 25656 1 51 . 1 1 6 6 VAL HB H 1 1.894 0.010 . . . . . A 6 VAL HB . 25656 1 52 . 1 1 6 6 VAL HG11 H 1 0.765 0.009 . . . . . A 6 VAL HG11 . 25656 1 53 . 1 1 6 6 VAL HG12 H 1 0.765 0.009 . . . . . A 6 VAL HG12 . 25656 1 54 . 1 1 6 6 VAL HG13 H 1 0.765 0.009 . . . . . A 6 VAL HG13 . 25656 1 55 . 1 1 6 6 VAL C C 13 175.536 0.025 . . . . . A 6 VAL C . 25656 1 56 . 1 1 6 6 VAL CA C 13 61.196 0.086 . . . . . A 6 VAL CA . 25656 1 57 . 1 1 6 6 VAL CB C 13 34.079 0.079 . . . . . A 6 VAL CB . 25656 1 58 . 1 1 6 6 VAL CG1 C 13 19.999 0.089 . . . . . A 6 VAL CG1 . 25656 1 59 . 1 1 6 6 VAL CG2 C 13 21.271 0.000 . . . . . A 6 VAL CG2 . 25656 1 60 . 1 1 6 6 VAL N N 15 116.889 0.047 . . . . . A 6 VAL N . 25656 1 61 . 1 1 7 7 ILE H H 1 8.638 0.006 . . . . . A 7 ILE H . 25656 1 62 . 1 1 7 7 ILE HA H 1 4.319 0.007 . . . . . A 7 ILE HA . 25656 1 63 . 1 1 7 7 ILE HB H 1 1.686 0.009 . . . . . A 7 ILE HB . 25656 1 64 . 1 1 7 7 ILE HG12 H 1 1.322 0.013 . . . . . A 7 ILE HG12 . 25656 1 65 . 1 1 7 7 ILE HG13 H 1 0.949 0.000 . . . . . A 7 ILE HG13 . 25656 1 66 . 1 1 7 7 ILE HD11 H 1 0.777 0.000 . . . . . A 7 ILE HD11 . 25656 1 67 . 1 1 7 7 ILE HD12 H 1 0.777 0.000 . . . . . A 7 ILE HD12 . 25656 1 68 . 1 1 7 7 ILE HD13 H 1 0.777 0.000 . . . . . A 7 ILE HD13 . 25656 1 69 . 1 1 7 7 ILE C C 13 174.693 0.004 . . . . . A 7 ILE C . 25656 1 70 . 1 1 7 7 ILE CA C 13 59.971 0.046 . . . . . A 7 ILE CA . 25656 1 71 . 1 1 7 7 ILE CB C 13 40.750 0.033 . . . . . A 7 ILE CB . 25656 1 72 . 1 1 7 7 ILE CG1 C 13 26.942 0.053 . . . . . A 7 ILE CG1 . 25656 1 73 . 1 1 7 7 ILE CG2 C 13 17.685 0.000 . . . . . A 7 ILE CG2 . 25656 1 74 . 1 1 7 7 ILE CD1 C 13 13.529 0.037 . . . . . A 7 ILE CD1 . 25656 1 75 . 1 1 7 7 ILE N N 15 123.931 0.064 . . . . . A 7 ILE N . 25656 1 76 . 1 1 8 8 GLN H H 1 8.381 0.021 . . . . . A 8 GLN H . 25656 1 77 . 1 1 8 8 GLN HA H 1 5.460 0.010 . . . . . A 8 GLN HA . 25656 1 78 . 1 1 8 8 GLN HB2 H 1 1.850 0.000 . . . . . A 8 GLN HB2 . 25656 1 79 . 1 1 8 8 GLN HB3 H 1 1.704 0.000 . . . . . A 8 GLN HB3 . 25656 1 80 . 1 1 8 8 GLN HG2 H 1 2.305 0.000 . . . . . A 8 GLN HG2 . 25656 1 81 . 1 1 8 8 GLN HG3 H 1 2.046 0.000 . . . . . A 8 GLN HG3 . 25656 1 82 . 1 1 8 8 GLN HE21 H 1 6.696 0.003 . . . . . A 8 GLN HE21 . 25656 1 83 . 1 1 8 8 GLN HE22 H 1 7.844 0.001 . . . . . A 8 GLN HE22 . 25656 1 84 . 1 1 8 8 GLN C C 13 175.824 0.003 . . . . . A 8 GLN C . 25656 1 85 . 1 1 8 8 GLN CA C 13 54.115 0.038 . . . . . A 8 GLN CA . 25656 1 86 . 1 1 8 8 GLN CB C 13 30.721 0.000 . . . . . A 8 GLN CB . 25656 1 87 . 1 1 8 8 GLN CG C 13 34.492 0.030 . . . . . A 8 GLN CG . 25656 1 88 . 1 1 8 8 GLN CD C 13 179.889 0.000 . . . . . A 8 GLN CD . 25656 1 89 . 1 1 8 8 GLN N N 15 123.223 0.147 . . . . . A 8 GLN N . 25656 1 90 . 1 1 8 8 GLN NE2 N 15 111.456 0.018 . . . . . A 8 GLN NE2 . 25656 1 91 . 1 1 9 9 MET H H 1 8.858 0.006 . . . . . A 9 MET H . 25656 1 92 . 1 1 9 9 MET HA H 1 4.657 0.000 . . . . . A 9 MET HA . 25656 1 93 . 1 1 9 9 MET HB2 H 1 2.001 0.013 . . . . . A 9 MET HB2 . 25656 1 94 . 1 1 9 9 MET HB3 H 1 1.640 0.013 . . . . . A 9 MET HB3 . 25656 1 95 . 1 1 9 9 MET HG2 H 1 2.530 0.002 . . . . . A 9 MET HG2 . 25656 1 96 . 1 1 9 9 MET HG3 H 1 2.386 0.009 . . . . . A 9 MET HG3 . 25656 1 97 . 1 1 9 9 MET C C 13 173.567 0.008 . . . . . A 9 MET C . 25656 1 98 . 1 1 9 9 MET CA C 13 54.778 0.000 . . . . . A 9 MET CA . 25656 1 99 . 1 1 9 9 MET CB C 13 38.194 0.077 . . . . . A 9 MET CB . 25656 1 100 . 1 1 9 9 MET CG C 13 32.625 0.080 . . . . . A 9 MET CG . 25656 1 101 . 1 1 9 9 MET N N 15 121.931 0.028 . . . . . A 9 MET N . 25656 1 102 . 1 1 10 10 GLN H H 1 8.768 0.006 . . . . . A 10 GLN H . 25656 1 103 . 1 1 10 10 GLN HA H 1 5.049 0.004 . . . . . A 10 GLN HA . 25656 1 104 . 1 1 10 10 GLN HB2 H 1 1.887 0.000 . . . . . A 10 GLN HB2 . 25656 1 105 . 1 1 10 10 GLN HB3 H 1 2.068 0.006 . . . . . A 10 GLN HB3 . 25656 1 106 . 1 1 10 10 GLN HG2 H 1 2.306 0.000 . . . . . A 10 GLN HG2 . 25656 1 107 . 1 1 10 10 GLN HE21 H 1 6.764 0.004 . . . . . A 10 GLN HE21 . 25656 1 108 . 1 1 10 10 GLN HE22 H 1 7.565 0.006 . . . . . A 10 GLN HE22 . 25656 1 109 . 1 1 10 10 GLN C C 13 175.878 0.012 . . . . . A 10 GLN C . 25656 1 110 . 1 1 10 10 GLN CA C 13 54.620 0.022 . . . . . A 10 GLN CA . 25656 1 111 . 1 1 10 10 GLN CB C 13 30.978 0.046 . . . . . A 10 GLN CB . 25656 1 112 . 1 1 10 10 GLN CG C 13 34.568 0.008 . . . . . A 10 GLN CG . 25656 1 113 . 1 1 10 10 GLN CD C 13 180.479 0.000 . . . . . A 10 GLN CD . 25656 1 114 . 1 1 10 10 GLN N N 15 119.772 1.792 . . . . . A 10 GLN N . 25656 1 115 . 1 1 10 10 GLN NE2 N 15 112.904 0.024 . . . . . A 10 GLN NE2 . 25656 1 116 . 1 1 11 11 GLY H H 1 8.708 0.007 . . . . . A 11 GLY H . 25656 1 117 . 1 1 11 11 GLY HA2 H 1 4.625 0.007 . . . . . A 11 GLY HA2 . 25656 1 118 . 1 1 11 11 GLY HA3 H 1 3.331 0.014 . . . . . A 11 GLY HA3 . 25656 1 119 . 1 1 11 11 GLY C C 13 170.761 0.003 . . . . . A 11 GLY C . 25656 1 120 . 1 1 11 11 GLY CA C 13 45.623 0.033 . . . . . A 11 GLY CA . 25656 1 121 . 1 1 11 11 GLY N N 15 106.316 0.070 . . . . . A 11 GLY N . 25656 1 122 . 1 1 12 12 GLU H H 1 8.438 0.008 . . . . . A 12 GLU H . 25656 1 123 . 1 1 12 12 GLU HA H 1 5.135 0.008 . . . . . A 12 GLU HA . 25656 1 124 . 1 1 12 12 GLU HB2 H 1 1.747 0.012 . . . . . A 12 GLU HB2 . 25656 1 125 . 1 1 12 12 GLU HG2 H 1 1.918 0.000 . . . . . A 12 GLU HG2 . 25656 1 126 . 1 1 12 12 GLU C C 13 175.783 0.003 . . . . . A 12 GLU C . 25656 1 127 . 1 1 12 12 GLU CA C 13 53.581 0.027 . . . . . A 12 GLU CA . 25656 1 128 . 1 1 12 12 GLU CB C 13 33.758 0.061 . . . . . A 12 GLU CB . 25656 1 129 . 1 1 12 12 GLU CG C 13 36.032 0.000 . . . . . A 12 GLU CG . 25656 1 130 . 1 1 12 12 GLU N N 15 120.360 0.014 . . . . . A 12 GLU N . 25656 1 131 . 1 1 13 13 VAL H H 1 8.957 0.004 . . . . . A 13 VAL H . 25656 1 132 . 1 1 13 13 VAL HA H 1 3.824 0.000 . . . . . A 13 VAL HA . 25656 1 133 . 1 1 13 13 VAL HB H 1 2.091 0.000 . . . . . A 13 VAL HB . 25656 1 134 . 1 1 13 13 VAL HG11 H 1 0.859 0.000 . . . . . A 13 VAL HG11 . 25656 1 135 . 1 1 13 13 VAL HG12 H 1 0.859 0.000 . . . . . A 13 VAL HG12 . 25656 1 136 . 1 1 13 13 VAL HG13 H 1 0.859 0.000 . . . . . A 13 VAL HG13 . 25656 1 137 . 1 1 13 13 VAL HG21 H 1 0.611 0.000 . . . . . A 13 VAL HG21 . 25656 1 138 . 1 1 13 13 VAL HG22 H 1 0.611 0.000 . . . . . A 13 VAL HG22 . 25656 1 139 . 1 1 13 13 VAL HG23 H 1 0.611 0.000 . . . . . A 13 VAL HG23 . 25656 1 140 . 1 1 13 13 VAL C C 13 176.691 0.007 . . . . . A 13 VAL C . 25656 1 141 . 1 1 13 13 VAL CA C 13 64.689 0.000 . . . . . A 13 VAL CA . 25656 1 142 . 1 1 13 13 VAL CB C 13 31.525 0.071 . . . . . A 13 VAL CB . 25656 1 143 . 1 1 13 13 VAL CG1 C 13 22.035 0.000 . . . . . A 13 VAL CG1 . 25656 1 144 . 1 1 13 13 VAL N N 15 126.730 0.021 . . . . . A 13 VAL N . 25656 1 145 . 1 1 14 14 ILE H H 1 9.314 0.005 . . . . . A 14 ILE H . 25656 1 146 . 1 1 14 14 ILE HA H 1 4.576 0.005 . . . . . A 14 ILE HA . 25656 1 147 . 1 1 14 14 ILE HB H 1 1.888 0.009 . . . . . A 14 ILE HB . 25656 1 148 . 1 1 14 14 ILE HG12 H 1 1.252 0.006 . . . . . A 14 ILE HG12 . 25656 1 149 . 1 1 14 14 ILE HG13 H 1 0.975 0.021 . . . . . A 14 ILE HG13 . 25656 1 150 . 1 1 14 14 ILE HG21 H 1 0.890 0.000 . . . . . A 14 ILE HG21 . 25656 1 151 . 1 1 14 14 ILE HG22 H 1 0.890 0.000 . . . . . A 14 ILE HG22 . 25656 1 152 . 1 1 14 14 ILE HG23 H 1 0.890 0.000 . . . . . A 14 ILE HG23 . 25656 1 153 . 1 1 14 14 ILE HD11 H 1 0.762 0.013 . . . . . A 14 ILE HD11 . 25656 1 154 . 1 1 14 14 ILE HD12 H 1 0.762 0.013 . . . . . A 14 ILE HD12 . 25656 1 155 . 1 1 14 14 ILE HD13 H 1 0.762 0.013 . . . . . A 14 ILE HD13 . 25656 1 156 . 1 1 14 14 ILE C C 13 175.731 0.003 . . . . . A 14 ILE C . 25656 1 157 . 1 1 14 14 ILE CA C 13 61.196 0.029 . . . . . A 14 ILE CA . 25656 1 158 . 1 1 14 14 ILE CB C 13 39.570 0.011 . . . . . A 14 ILE CB . 25656 1 159 . 1 1 14 14 ILE CG1 C 13 26.556 0.066 . . . . . A 14 ILE CG1 . 25656 1 160 . 1 1 14 14 ILE CG2 C 13 17.642 0.000 . . . . . A 14 ILE CG2 . 25656 1 161 . 1 1 14 14 ILE CD1 C 13 13.242 0.027 . . . . . A 14 ILE CD1 . 25656 1 162 . 1 1 14 14 ILE N N 15 124.542 0.051 . . . . . A 14 ILE N . 25656 1 163 . 1 1 15 15 GLU H H 1 7.442 0.010 . . . . . A 15 GLU H . 25656 1 164 . 1 1 15 15 GLU HA H 1 4.371 0.005 . . . . . A 15 GLU HA . 25656 1 165 . 1 1 15 15 GLU HB2 H 1 1.734 0.000 . . . . . A 15 GLU HB2 . 25656 1 166 . 1 1 15 15 GLU HB3 H 1 1.996 0.000 . . . . . A 15 GLU HB3 . 25656 1 167 . 1 1 15 15 GLU HG2 H 1 2.234 0.000 . . . . . A 15 GLU HG2 . 25656 1 168 . 1 1 15 15 GLU HG3 H 1 2.046 0.000 . . . . . A 15 GLU HG3 . 25656 1 169 . 1 1 15 15 GLU C C 13 173.127 0.044 . . . . . A 15 GLU C . 25656 1 170 . 1 1 15 15 GLU CA C 13 56.615 0.000 . . . . . A 15 GLU CA . 25656 1 171 . 1 1 15 15 GLU CB C 13 34.290 0.000 . . . . . A 15 GLU CB . 25656 1 172 . 1 1 15 15 GLU CG C 13 35.827 0.000 . . . . . A 15 GLU CG . 25656 1 173 . 1 1 15 15 GLU N N 15 119.317 0.066 . . . . . A 15 GLU N . 25656 1 174 . 1 1 16 16 ASN H H 1 9.025 0.006 . . . . . A 16 ASN H . 25656 1 175 . 1 1 16 16 ASN HA H 1 4.689 0.007 . . . . . A 16 ASN HA . 25656 1 176 . 1 1 16 16 ASN HB2 H 1 2.613 0.025 . . . . . A 16 ASN HB2 . 25656 1 177 . 1 1 16 16 ASN HD21 H 1 6.940 0.024 . . . . . A 16 ASN HD21 . 25656 1 178 . 1 1 16 16 ASN HD22 H 1 6.946 0.023 . . . . . A 16 ASN HD22 . 25656 1 179 . 1 1 16 16 ASN C C 13 174.024 0.000 . . . . . A 16 ASN C . 25656 1 180 . 1 1 16 16 ASN CA C 13 53.040 0.015 . . . . . A 16 ASN CA . 25656 1 181 . 1 1 16 16 ASN CB C 13 37.673 0.036 . . . . . A 16 ASN CB . 25656 1 182 . 1 1 16 16 ASN CG C 13 174.362 0.000 . . . . . A 16 ASN CG . 25656 1 183 . 1 1 16 16 ASN N N 15 127.204 0.069 . . . . . A 16 ASN N . 25656 1 184 . 1 1 16 16 ASN ND2 N 15 105.118 0.102 . . . . . A 16 ASN ND2 . 25656 1 185 . 1 1 17 17 LEU H H 1 8.034 0.007 . . . . . A 17 LEU H . 25656 1 186 . 1 1 17 17 LEU HA H 1 4.647 0.000 . . . . . A 17 LEU HA . 25656 1 187 . 1 1 17 17 LEU C C 13 174.040 0.000 . . . . . A 17 LEU C . 25656 1 188 . 1 1 17 17 LEU CA C 13 53.306 0.028 . . . . . A 17 LEU CA . 25656 1 189 . 1 1 17 17 LEU CB C 13 37.687 0.000 . . . . . A 17 LEU CB . 25656 1 190 . 1 1 17 17 LEU CG C 13 27.552 0.000 . . . . . A 17 LEU CG . 25656 1 191 . 1 1 17 17 LEU N N 15 125.683 0.029 . . . . . A 17 LEU N . 25656 1 192 . 1 1 18 18 PRO HA H 1 4.288 0.007 . . . . . A 18 PRO HA . 25656 1 193 . 1 1 18 18 PRO HB2 H 1 2.235 0.024 . . . . . A 18 PRO HB2 . 25656 1 194 . 1 1 18 18 PRO HB3 H 1 1.672 0.000 . . . . . A 18 PRO HB3 . 25656 1 195 . 1 1 18 18 PRO HG2 H 1 1.918 0.000 . . . . . A 18 PRO HG2 . 25656 1 196 . 1 1 18 18 PRO HD2 H 1 3.423 0.000 . . . . . A 18 PRO HD2 . 25656 1 197 . 1 1 18 18 PRO C C 13 176.016 0.000 . . . . . A 18 PRO C . 25656 1 198 . 1 1 18 18 PRO CA C 13 63.367 0.053 . . . . . A 18 PRO CA . 25656 1 199 . 1 1 18 18 PRO CB C 13 32.091 0.016 . . . . . A 18 PRO CB . 25656 1 200 . 1 1 19 19 ASN H H 1 8.567 0.011 . . . . . A 19 ASN H . 25656 1 201 . 1 1 19 19 ASN HA H 1 4.245 0.008 . . . . . A 19 ASN HA . 25656 1 202 . 1 1 19 19 ASN HB2 H 1 2.757 0.009 . . . . . A 19 ASN HB2 . 25656 1 203 . 1 1 19 19 ASN HD21 H 1 7.504 0.005 . . . . . A 19 ASN HD21 . 25656 1 204 . 1 1 19 19 ASN HD22 H 1 6.861 0.004 . . . . . A 19 ASN HD22 . 25656 1 205 . 1 1 19 19 ASN C C 13 174.993 0.032 . . . . . A 19 ASN C . 25656 1 206 . 1 1 19 19 ASN CA C 13 53.571 0.040 . . . . . A 19 ASN CA . 25656 1 207 . 1 1 19 19 ASN CB C 13 36.724 0.016 . . . . . A 19 ASN CB . 25656 1 208 . 1 1 19 19 ASN CG C 13 178.480 0.000 . . . . . A 19 ASN CG . 25656 1 209 . 1 1 19 19 ASN N N 15 116.522 0.032 . . . . . A 19 ASN N . 25656 1 210 . 1 1 19 19 ASN ND2 N 15 113.227 0.020 . . . . . A 19 ASN ND2 . 25656 1 211 . 1 1 20 20 ALA H H 1 8.525 0.008 . . . . . A 20 ALA H . 25656 1 212 . 1 1 20 20 ALA HA H 1 3.721 0.008 . . . . . A 20 ALA HA . 25656 1 213 . 1 1 20 20 ALA HB1 H 1 1.345 0.012 . . . . . A 20 ALA HB1 . 25656 1 214 . 1 1 20 20 ALA HB2 H 1 1.345 0.012 . . . . . A 20 ALA HB2 . 25656 1 215 . 1 1 20 20 ALA HB3 H 1 1.345 0.012 . . . . . A 20 ALA HB3 . 25656 1 216 . 1 1 20 20 ALA C C 13 175.092 0.000 . . . . . A 20 ALA C . 25656 1 217 . 1 1 20 20 ALA CA C 13 52.977 0.049 . . . . . A 20 ALA CA . 25656 1 218 . 1 1 20 20 ALA CB C 13 17.104 0.853 . . . . . A 20 ALA CB . 25656 1 219 . 1 1 20 20 ALA N N 15 118.637 0.068 . . . . . A 20 ALA N . 25656 1 220 . 1 1 21 21 THR H H 1 6.252 0.010 . . . . . A 21 THR H . 25656 1 221 . 1 1 21 21 THR HA H 1 4.885 0.000 . . . . . A 21 THR HA . 25656 1 222 . 1 1 21 21 THR HB H 1 3.755 0.005 . . . . . A 21 THR HB . 25656 1 223 . 1 1 21 21 THR HG21 H 1 0.995 0.000 . . . . . A 21 THR HG21 . 25656 1 224 . 1 1 21 21 THR HG22 H 1 0.995 0.000 . . . . . A 21 THR HG22 . 25656 1 225 . 1 1 21 21 THR HG23 H 1 0.995 0.000 . . . . . A 21 THR HG23 . 25656 1 226 . 1 1 21 21 THR C C 13 172.847 0.000 . . . . . A 21 THR C . 25656 1 227 . 1 1 21 21 THR CA C 13 60.830 0.000 . . . . . A 21 THR CA . 25656 1 228 . 1 1 21 21 THR CB C 13 71.112 0.041 . . . . . A 21 THR CB . 25656 1 229 . 1 1 21 21 THR CG2 C 13 21.309 0.000 . . . . . A 21 THR CG2 . 25656 1 230 . 1 1 21 21 THR N N 15 108.302 0.152 . . . . . A 21 THR N . 25656 1 231 . 1 1 23 23 ARG H H 1 8.987 0.003 . . . . . A 23 ARG H . 25656 1 232 . 1 1 23 23 ARG HA H 1 4.930 0.002 . . . . . A 23 ARG HA . 25656 1 233 . 1 1 23 23 ARG HB2 H 1 1.630 0.000 . . . . . A 23 ARG HB2 . 25656 1 234 . 1 1 23 23 ARG HG2 H 1 1.497 0.008 . . . . . A 23 ARG HG2 . 25656 1 235 . 1 1 23 23 ARG HG3 H 1 1.352 0.017 . . . . . A 23 ARG HG3 . 25656 1 236 . 1 1 23 23 ARG HD2 H 1 3.229 0.000 . . . . . A 23 ARG HD2 . 25656 1 237 . 1 1 23 23 ARG HD3 H 1 3.101 0.000 . . . . . A 23 ARG HD3 . 25656 1 238 . 1 1 23 23 ARG C C 13 174.832 1.070 . . . . . A 23 ARG C . 25656 1 239 . 1 1 23 23 ARG CA C 13 56.418 0.072 . . . . . A 23 ARG CA . 25656 1 240 . 1 1 23 23 ARG CB C 13 31.445 0.000 . . . . . A 23 ARG CB . 25656 1 241 . 1 1 23 23 ARG CG C 13 28.459 0.102 . . . . . A 23 ARG CG . 25656 1 242 . 1 1 23 23 ARG CD C 13 42.846 0.000 . . . . . A 23 ARG CD . 25656 1 243 . 1 1 23 23 ARG N N 15 123.805 0.057 . . . . . A 23 ARG N . 25656 1 244 . 1 1 24 24 VAL H H 1 9.349 0.005 . . . . . A 24 VAL H . 25656 1 245 . 1 1 24 24 VAL C C 13 173.297 0.000 . . . . . A 24 VAL C . 25656 1 246 . 1 1 24 24 VAL CA C 13 60.839 0.000 . . . . . A 24 VAL CA . 25656 1 247 . 1 1 24 24 VAL CB C 13 34.641 0.000 . . . . . A 24 VAL CB . 25656 1 248 . 1 1 24 24 VAL N N 15 127.572 0.049 . . . . . A 24 VAL N . 25656 1 249 . 1 1 26 26 LEU HA H 1 4.204 0.001 . . . . . A 26 LEU HA . 25656 1 250 . 1 1 26 26 LEU HB2 H 1 1.908 0.000 . . . . . A 26 LEU HB2 . 25656 1 251 . 1 1 26 26 LEU HB3 H 1 1.813 0.000 . . . . . A 26 LEU HB3 . 25656 1 252 . 1 1 26 26 LEU HG H 1 2.130 0.000 . . . . . A 26 LEU HG . 25656 1 253 . 1 1 26 26 LEU C C 13 174.549 0.000 . . . . . A 26 LEU C . 25656 1 254 . 1 1 26 26 LEU CA C 13 56.400 0.000 . . . . . A 26 LEU CA . 25656 1 255 . 1 1 26 26 LEU CB C 13 36.020 0.000 . . . . . A 26 LEU CB . 25656 1 256 . 1 1 26 26 LEU CG C 13 30.643 0.000 . . . . . A 26 LEU CG . 25656 1 257 . 1 1 27 27 GLU H H 1 8.393 0.007 . . . . . A 27 GLU H . 25656 1 258 . 1 1 27 27 GLU HA H 1 4.078 0.003 . . . . . A 27 GLU HA . 25656 1 259 . 1 1 27 27 GLU HB2 H 1 2.038 0.002 . . . . . A 27 GLU HB2 . 25656 1 260 . 1 1 27 27 GLU HG2 H 1 2.257 0.000 . . . . . A 27 GLU HG2 . 25656 1 261 . 1 1 27 27 GLU C C 13 176.188 0.000 . . . . . A 27 GLU C . 25656 1 262 . 1 1 27 27 GLU CA C 13 58.524 0.009 . . . . . A 27 GLU CA . 25656 1 263 . 1 1 27 27 GLU CB C 13 29.608 0.022 . . . . . A 27 GLU CB . 25656 1 264 . 1 1 27 27 GLU CG C 13 36.268 0.000 . . . . . A 27 GLU CG . 25656 1 265 . 1 1 27 27 GLU N N 15 119.804 0.099 . . . . . A 27 GLU N . 25656 1 266 . 1 1 28 28 ASN H H 1 7.100 0.012 . . . . . A 28 ASN H . 25656 1 267 . 1 1 28 28 ASN HA H 1 4.561 0.004 . . . . . A 28 ASN HA . 25656 1 268 . 1 1 28 28 ASN HB2 H 1 3.179 0.011 . . . . . A 28 ASN HB2 . 25656 1 269 . 1 1 28 28 ASN HB3 H 1 2.666 0.009 . . . . . A 28 ASN HB3 . 25656 1 270 . 1 1 28 28 ASN HD21 H 1 6.244 0.001 . . . . . A 28 ASN HD21 . 25656 1 271 . 1 1 28 28 ASN HD22 H 1 7.446 0.004 . . . . . A 28 ASN HD22 . 25656 1 272 . 1 1 28 28 ASN C C 13 176.329 0.013 . . . . . A 28 ASN C . 25656 1 273 . 1 1 28 28 ASN CA C 13 52.301 0.061 . . . . . A 28 ASN CA . 25656 1 274 . 1 1 28 28 ASN CB C 13 37.467 0.013 . . . . . A 28 ASN CB . 25656 1 275 . 1 1 28 28 ASN CG C 13 175.925 0.000 . . . . . A 28 ASN CG . 25656 1 276 . 1 1 28 28 ASN N N 15 113.245 2.251 . . . . . A 28 ASN N . 25656 1 277 . 1 1 28 28 ASN ND2 N 15 107.485 0.037 . . . . . A 28 ASN ND2 . 25656 1 278 . 1 1 29 29 GLY H H 1 8.228 0.008 . . . . . A 29 GLY H . 25656 1 279 . 1 1 29 29 GLY HA2 H 1 4.254 0.013 . . . . . A 29 GLY HA2 . 25656 1 280 . 1 1 29 29 GLY HA3 H 1 3.407 0.004 . . . . . A 29 GLY HA3 . 25656 1 281 . 1 1 29 29 GLY C C 13 174.238 0.030 . . . . . A 29 GLY C . 25656 1 282 . 1 1 29 29 GLY CA C 13 45.066 0.011 . . . . . A 29 GLY CA . 25656 1 283 . 1 1 29 29 GLY N N 15 108.088 0.033 . . . . . A 29 GLY N . 25656 1 284 . 1 1 30 30 HIS H H 1 7.840 0.006 . . . . . A 30 HIS H . 25656 1 285 . 1 1 30 30 HIS HA H 1 4.542 0.007 . . . . . A 30 HIS HA . 25656 1 286 . 1 1 30 30 HIS HB2 H 1 3.039 0.000 . . . . . A 30 HIS HB2 . 25656 1 287 . 1 1 30 30 HIS HB3 H 1 3.090 0.000 . . . . . A 30 HIS HB3 . 25656 1 288 . 1 1 30 30 HIS HD2 H 1 6.813 0.002 . . . . . A 30 HIS HD2 . 25656 1 289 . 1 1 30 30 HIS C C 13 173.598 0.004 . . . . . A 30 HIS C . 25656 1 290 . 1 1 30 30 HIS CA C 13 55.603 0.038 . . . . . A 30 HIS CA . 25656 1 291 . 1 1 30 30 HIS CB C 13 29.666 0.016 . . . . . A 30 HIS CB . 25656 1 292 . 1 1 30 30 HIS CD2 C 13 118.992 0.000 . . . . . A 30 HIS CD2 . 25656 1 293 . 1 1 30 30 HIS N N 15 119.594 0.074 . . . . . A 30 HIS N . 25656 1 294 . 1 1 31 31 VAL H H 1 8.384 0.018 . . . . . A 31 VAL H . 25656 1 295 . 1 1 31 31 VAL HA H 1 4.988 0.003 . . . . . A 31 VAL HA . 25656 1 296 . 1 1 31 31 VAL HB H 1 1.837 0.004 . . . . . A 31 VAL HB . 25656 1 297 . 1 1 31 31 VAL HG11 H 1 0.737 0.003 . . . . . A 31 VAL HG11 . 25656 1 298 . 1 1 31 31 VAL HG12 H 1 0.737 0.003 . . . . . A 31 VAL HG12 . 25656 1 299 . 1 1 31 31 VAL HG13 H 1 0.737 0.003 . . . . . A 31 VAL HG13 . 25656 1 300 . 1 1 31 31 VAL HG21 H 1 0.826 0.010 . . . . . A 31 VAL HG21 . 25656 1 301 . 1 1 31 31 VAL HG22 H 1 0.826 0.010 . . . . . A 31 VAL HG22 . 25656 1 302 . 1 1 31 31 VAL HG23 H 1 0.826 0.010 . . . . . A 31 VAL HG23 . 25656 1 303 . 1 1 31 31 VAL C C 13 176.217 0.002 . . . . . A 31 VAL C . 25656 1 304 . 1 1 31 31 VAL CA C 13 61.348 0.056 . . . . . A 31 VAL CA . 25656 1 305 . 1 1 31 31 VAL CB C 13 32.608 0.061 . . . . . A 31 VAL CB . 25656 1 306 . 1 1 31 31 VAL CG1 C 13 21.498 0.047 . . . . . A 31 VAL CG1 . 25656 1 307 . 1 1 31 31 VAL CG2 C 13 21.485 0.000 . . . . . A 31 VAL CG2 . 25656 1 308 . 1 1 31 31 VAL N N 15 123.476 0.014 . . . . . A 31 VAL N . 25656 1 309 . 1 1 32 32 VAL H H 1 8.933 0.006 . . . . . A 32 VAL H . 25656 1 310 . 1 1 32 32 VAL HA H 1 4.691 0.000 . . . . . A 32 VAL HA . 25656 1 311 . 1 1 32 32 VAL HB H 1 1.849 0.011 . . . . . A 32 VAL HB . 25656 1 312 . 1 1 32 32 VAL HG11 H 1 0.536 0.018 . . . . . A 32 VAL HG11 . 25656 1 313 . 1 1 32 32 VAL HG12 H 1 0.536 0.018 . . . . . A 32 VAL HG12 . 25656 1 314 . 1 1 32 32 VAL HG13 H 1 0.536 0.018 . . . . . A 32 VAL HG13 . 25656 1 315 . 1 1 32 32 VAL HG21 H 1 0.733 0.009 . . . . . A 32 VAL HG21 . 25656 1 316 . 1 1 32 32 VAL HG22 H 1 0.733 0.009 . . . . . A 32 VAL HG22 . 25656 1 317 . 1 1 32 32 VAL HG23 H 1 0.733 0.009 . . . . . A 32 VAL HG23 . 25656 1 318 . 1 1 32 32 VAL C C 13 173.802 0.019 . . . . . A 32 VAL C . 25656 1 319 . 1 1 32 32 VAL CA C 13 58.327 0.032 . . . . . A 32 VAL CA . 25656 1 320 . 1 1 32 32 VAL CB C 13 35.466 0.022 . . . . . A 32 VAL CB . 25656 1 321 . 1 1 32 32 VAL CG1 C 13 18.565 0.056 . . . . . A 32 VAL CG1 . 25656 1 322 . 1 1 32 32 VAL CG2 C 13 21.918 0.047 . . . . . A 32 VAL CG2 . 25656 1 323 . 1 1 32 32 VAL N N 15 119.944 0.028 . . . . . A 32 VAL N . 25656 1 324 . 1 1 33 33 LEU H H 1 8.075 0.008 . . . . . A 33 LEU H . 25656 1 325 . 1 1 33 33 LEU HA H 1 5.065 0.000 . . . . . A 33 LEU HA . 25656 1 326 . 1 1 33 33 LEU C C 13 173.779 0.000 . . . . . A 33 LEU C . 25656 1 327 . 1 1 33 33 LEU CA C 13 58.417 0.000 . . . . . A 33 LEU CA . 25656 1 328 . 1 1 33 33 LEU CB C 13 35.455 0.000 . . . . . A 33 LEU CB . 25656 1 329 . 1 1 33 33 LEU N N 15 122.390 0.059 . . . . . A 33 LEU N . 25656 1 330 . 1 1 34 34 GLY H H 1 9.710 0.010 . . . . . A 34 GLY H . 25656 1 331 . 1 1 34 34 GLY HA2 H 1 5.280 0.005 . . . . . A 34 GLY HA2 . 25656 1 332 . 1 1 34 34 GLY HA3 H 1 2.990 0.001 . . . . . A 34 GLY HA3 . 25656 1 333 . 1 1 34 34 GLY C C 13 171.754 0.000 . . . . . A 34 GLY C . 25656 1 334 . 1 1 34 34 GLY CA C 13 43.752 0.021 . . . . . A 34 GLY CA . 25656 1 335 . 1 1 34 34 GLY N N 15 111.534 0.071 . . . . . A 34 GLY N . 25656 1 336 . 1 1 35 35 HIS H H 1 8.002 0.011 . . . . . A 35 HIS H . 25656 1 337 . 1 1 35 35 HIS HA H 1 5.396 0.007 . . . . . A 35 HIS HA . 25656 1 338 . 1 1 35 35 HIS HB2 H 1 3.225 0.005 . . . . . A 35 HIS HB2 . 25656 1 339 . 1 1 35 35 HIS HD2 H 1 7.070 0.009 . . . . . A 35 HIS HD2 . 25656 1 340 . 1 1 35 35 HIS C C 13 173.973 0.038 . . . . . A 35 HIS C . 25656 1 341 . 1 1 35 35 HIS CA C 13 54.408 0.034 . . . . . A 35 HIS CA . 25656 1 342 . 1 1 35 35 HIS CB C 13 32.435 0.088 . . . . . A 35 HIS CB . 25656 1 343 . 1 1 35 35 HIS CD2 C 13 121.608 0.000 . . . . . A 35 HIS CD2 . 25656 1 344 . 1 1 35 35 HIS N N 15 117.412 0.098 . . . . . A 35 HIS N . 25656 1 345 . 1 1 36 36 ILE H H 1 9.102 0.010 . . . . . A 36 ILE H . 25656 1 346 . 1 1 36 36 ILE HA H 1 4.340 0.005 . . . . . A 36 ILE HA . 25656 1 347 . 1 1 36 36 ILE HB H 1 1.824 0.012 . . . . . A 36 ILE HB . 25656 1 348 . 1 1 36 36 ILE HG12 H 1 1.556 0.000 . . . . . A 36 ILE HG12 . 25656 1 349 . 1 1 36 36 ILE HG21 H 1 0.892 0.000 . . . . . A 36 ILE HG21 . 25656 1 350 . 1 1 36 36 ILE HG22 H 1 0.892 0.000 . . . . . A 36 ILE HG22 . 25656 1 351 . 1 1 36 36 ILE HG23 H 1 0.892 0.000 . . . . . A 36 ILE HG23 . 25656 1 352 . 1 1 36 36 ILE HD11 H 1 0.733 0.007 . . . . . A 36 ILE HD11 . 25656 1 353 . 1 1 36 36 ILE HD12 H 1 0.733 0.007 . . . . . A 36 ILE HD12 . 25656 1 354 . 1 1 36 36 ILE HD13 H 1 0.733 0.007 . . . . . A 36 ILE HD13 . 25656 1 355 . 1 1 36 36 ILE C C 13 175.549 0.042 . . . . . A 36 ILE C . 25656 1 356 . 1 1 36 36 ILE CA C 13 61.351 0.039 . . . . . A 36 ILE CA . 25656 1 357 . 1 1 36 36 ILE CB C 13 39.145 0.025 . . . . . A 36 ILE CB . 25656 1 358 . 1 1 36 36 ILE CG1 C 13 27.575 0.000 . . . . . A 36 ILE CG1 . 25656 1 359 . 1 1 36 36 ILE CG2 C 13 17.842 0.000 . . . . . A 36 ILE CG2 . 25656 1 360 . 1 1 36 36 ILE CD1 C 13 13.374 0.055 . . . . . A 36 ILE CD1 . 25656 1 361 . 1 1 36 36 ILE N N 15 122.073 0.100 . . . . . A 36 ILE N . 25656 1 362 . 1 1 37 37 SER H H 1 8.474 0.008 . . . . . A 37 SER H . 25656 1 363 . 1 1 37 37 SER HA H 1 4.519 0.003 . . . . . A 37 SER HA . 25656 1 364 . 1 1 37 37 SER HB2 H 1 3.928 0.007 . . . . . A 37 SER HB2 . 25656 1 365 . 1 1 37 37 SER HB3 H 1 3.748 0.003 . . . . . A 37 SER HB3 . 25656 1 366 . 1 1 37 37 SER C C 13 174.975 0.020 . . . . . A 37 SER C . 25656 1 367 . 1 1 37 37 SER CA C 13 57.656 0.070 . . . . . A 37 SER CA . 25656 1 368 . 1 1 37 37 SER CB C 13 64.856 0.058 . . . . . A 37 SER CB . 25656 1 369 . 1 1 37 37 SER N N 15 121.153 0.037 . . . . . A 37 SER N . 25656 1 370 . 1 1 38 38 GLY H H 1 8.921 0.028 . . . . . A 38 GLY H . 25656 1 371 . 1 1 38 38 GLY HA2 H 1 4.004 0.006 . . . . . A 38 GLY HA2 . 25656 1 372 . 1 1 38 38 GLY HA3 H 1 3.831 0.000 . . . . . A 38 GLY HA3 . 25656 1 373 . 1 1 38 38 GLY C C 13 175.790 0.050 . . . . . A 38 GLY C . 25656 1 374 . 1 1 38 38 GLY CA C 13 46.419 0.028 . . . . . A 38 GLY CA . 25656 1 375 . 1 1 38 38 GLY N N 15 112.083 0.045 . . . . . A 38 GLY N . 25656 1 376 . 1 1 39 39 LYS H H 1 8.361 0.006 . . . . . A 39 LYS H . 25656 1 377 . 1 1 39 39 LYS HA H 1 4.106 0.000 . . . . . A 39 LYS HA . 25656 1 378 . 1 1 39 39 LYS HB2 H 1 1.775 0.000 . . . . . A 39 LYS HB2 . 25656 1 379 . 1 1 39 39 LYS HG2 H 1 1.431 0.022 . . . . . A 39 LYS HG2 . 25656 1 380 . 1 1 39 39 LYS HD2 H 1 1.632 0.000 . . . . . A 39 LYS HD2 . 25656 1 381 . 1 1 39 39 LYS HE2 H 1 2.938 0.000 . . . . . A 39 LYS HE2 . 25656 1 382 . 1 1 39 39 LYS C C 13 178.014 0.019 . . . . . A 39 LYS C . 25656 1 383 . 1 1 39 39 LYS CA C 13 58.109 0.000 . . . . . A 39 LYS CA . 25656 1 384 . 1 1 39 39 LYS CB C 13 32.355 0.000 . . . . . A 39 LYS CB . 25656 1 385 . 1 1 39 39 LYS CG C 13 25.016 0.028 . . . . . A 39 LYS CG . 25656 1 386 . 1 1 39 39 LYS CD C 13 29.045 0.000 . . . . . A 39 LYS CD . 25656 1 387 . 1 1 39 39 LYS CE C 13 41.991 0.000 . . . . . A 39 LYS CE . 25656 1 388 . 1 1 39 39 LYS N N 15 121.180 0.042 . . . . . A 39 LYS N . 25656 1 389 . 1 1 40 40 MET H H 1 7.888 0.006 . . . . . A 40 MET H . 25656 1 390 . 1 1 40 40 MET HA H 1 4.320 0.002 . . . . . A 40 MET HA . 25656 1 391 . 1 1 40 40 MET HB2 H 1 2.582 0.000 . . . . . A 40 MET HB2 . 25656 1 392 . 1 1 40 40 MET HB3 H 1 2.005 0.000 . . . . . A 40 MET HB3 . 25656 1 393 . 1 1 40 40 MET C C 13 177.027 0.015 . . . . . A 40 MET C . 25656 1 394 . 1 1 40 40 MET CA C 13 56.473 0.000 . . . . . A 40 MET CA . 25656 1 395 . 1 1 40 40 MET CB C 13 32.505 0.000 . . . . . A 40 MET CB . 25656 1 396 . 1 1 40 40 MET N N 15 118.268 0.056 . . . . . A 40 MET N . 25656 1 397 . 1 1 41 41 ARG H H 1 7.872 0.007 . . . . . A 41 ARG H . 25656 1 398 . 1 1 41 41 ARG HA H 1 4.015 0.010 . . . . . A 41 ARG HA . 25656 1 399 . 1 1 41 41 ARG HB2 H 1 1.804 0.003 . . . . . A 41 ARG HB2 . 25656 1 400 . 1 1 41 41 ARG HB3 H 1 1.736 0.017 . . . . . A 41 ARG HB3 . 25656 1 401 . 1 1 41 41 ARG HG2 H 1 1.596 0.016 . . . . . A 41 ARG HG2 . 25656 1 402 . 1 1 41 41 ARG HD2 H 1 3.137 0.022 . . . . . A 41 ARG HD2 . 25656 1 403 . 1 1 41 41 ARG C C 13 177.123 0.003 . . . . . A 41 ARG C . 25656 1 404 . 1 1 41 41 ARG CA C 13 57.762 0.055 . . . . . A 41 ARG CA . 25656 1 405 . 1 1 41 41 ARG CB C 13 30.058 0.053 . . . . . A 41 ARG CB . 25656 1 406 . 1 1 41 41 ARG CG C 13 27.271 0.067 . . . . . A 41 ARG CG . 25656 1 407 . 1 1 41 41 ARG CD C 13 43.292 0.096 . . . . . A 41 ARG CD . 25656 1 408 . 1 1 41 41 ARG N N 15 119.656 0.060 . . . . . A 41 ARG N . 25656 1 409 . 1 1 42 42 MET H H 1 7.839 0.012 . . . . . A 42 MET H . 25656 1 410 . 1 1 42 42 MET HA H 1 4.218 0.000 . . . . . A 42 MET HA . 25656 1 411 . 1 1 42 42 MET HB2 H 1 2.401 0.000 . . . . . A 42 MET HB2 . 25656 1 412 . 1 1 42 42 MET HB3 H 1 1.889 0.003 . . . . . A 42 MET HB3 . 25656 1 413 . 1 1 42 42 MET C C 13 176.078 0.009 . . . . . A 42 MET C . 25656 1 414 . 1 1 42 42 MET CA C 13 56.295 0.000 . . . . . A 42 MET CA . 25656 1 415 . 1 1 42 42 MET CB C 13 32.024 0.062 . . . . . A 42 MET CB . 25656 1 416 . 1 1 42 42 MET N N 15 117.106 0.065 . . . . . A 42 MET N . 25656 1 417 . 1 1 43 43 HIS H H 1 7.720 0.011 . . . . . A 43 HIS H . 25656 1 418 . 1 1 43 43 HIS HA H 1 4.485 0.003 . . . . . A 43 HIS HA . 25656 1 419 . 1 1 43 43 HIS HB2 H 1 2.992 0.000 . . . . . A 43 HIS HB2 . 25656 1 420 . 1 1 43 43 HIS HB3 H 1 2.891 0.000 . . . . . A 43 HIS HB3 . 25656 1 421 . 1 1 43 43 HIS HD2 H 1 6.944 0.006 . . . . . A 43 HIS HD2 . 25656 1 422 . 1 1 43 43 HIS C C 13 174.357 0.014 . . . . . A 43 HIS C . 25656 1 423 . 1 1 43 43 HIS CA C 13 55.848 0.038 . . . . . A 43 HIS CA . 25656 1 424 . 1 1 43 43 HIS CB C 13 30.005 0.073 . . . . . A 43 HIS CB . 25656 1 425 . 1 1 43 43 HIS CD2 C 13 119.889 0.000 . . . . . A 43 HIS CD2 . 25656 1 426 . 1 1 43 43 HIS N N 15 117.200 0.083 . . . . . A 43 HIS N . 25656 1 427 . 1 1 44 44 TYR H H 1 7.817 0.016 . . . . . A 44 TYR H . 25656 1 428 . 1 1 44 44 TYR HA H 1 4.342 0.003 . . . . . A 44 TYR HA . 25656 1 429 . 1 1 44 44 TYR HB2 H 1 2.883 0.005 . . . . . A 44 TYR HB2 . 25656 1 430 . 1 1 44 44 TYR HD1 H 1 6.961 0.005 . . . . . A 44 TYR HD1 . 25656 1 431 . 1 1 44 44 TYR HD2 H 1 6.961 0.005 . . . . . A 44 TYR HD2 . 25656 1 432 . 1 1 44 44 TYR HE1 H 1 6.711 0.001 . . . . . A 44 TYR HE1 . 25656 1 433 . 1 1 44 44 TYR HE2 H 1 6.711 0.001 . . . . . A 44 TYR HE2 . 25656 1 434 . 1 1 44 44 TYR C C 13 175.078 0.015 . . . . . A 44 TYR C . 25656 1 435 . 1 1 44 44 TYR CA C 13 58.235 0.086 . . . . . A 44 TYR CA . 25656 1 436 . 1 1 44 44 TYR CB C 13 37.896 0.028 . . . . . A 44 TYR CB . 25656 1 437 . 1 1 44 44 TYR CD2 C 13 133.037 0.000 . . . . . A 44 TYR CD2 . 25656 1 438 . 1 1 44 44 TYR CE2 C 13 118.291 0.000 . . . . . A 44 TYR CE2 . 25656 1 439 . 1 1 44 44 TYR N N 15 119.368 0.058 . . . . . A 44 TYR N . 25656 1 440 . 1 1 45 45 ILE H H 1 7.476 0.004 . . . . . A 45 ILE H . 25656 1 441 . 1 1 45 45 ILE HA H 1 3.879 0.004 . . . . . A 45 ILE HA . 25656 1 442 . 1 1 45 45 ILE HB H 1 1.624 0.012 . . . . . A 45 ILE HB . 25656 1 443 . 1 1 45 45 ILE HG12 H 1 0.964 0.000 . . . . . A 45 ILE HG12 . 25656 1 444 . 1 1 45 45 ILE HG13 H 1 1.246 0.004 . . . . . A 45 ILE HG13 . 25656 1 445 . 1 1 45 45 ILE HG21 H 1 0.641 0.000 . . . . . A 45 ILE HG21 . 25656 1 446 . 1 1 45 45 ILE HG22 H 1 0.641 0.000 . . . . . A 45 ILE HG22 . 25656 1 447 . 1 1 45 45 ILE HG23 H 1 0.641 0.000 . . . . . A 45 ILE HG23 . 25656 1 448 . 1 1 45 45 ILE HD11 H 1 0.664 0.010 . . . . . A 45 ILE HD11 . 25656 1 449 . 1 1 45 45 ILE HD12 H 1 0.664 0.010 . . . . . A 45 ILE HD12 . 25656 1 450 . 1 1 45 45 ILE HD13 H 1 0.664 0.010 . . . . . A 45 ILE HD13 . 25656 1 451 . 1 1 45 45 ILE C C 13 174.785 0.078 . . . . . A 45 ILE C . 25656 1 452 . 1 1 45 45 ILE CA C 13 60.823 0.036 . . . . . A 45 ILE CA . 25656 1 453 . 1 1 45 45 ILE CB C 13 38.901 0.050 . . . . . A 45 ILE CB . 25656 1 454 . 1 1 45 45 ILE CG1 C 13 27.224 0.064 . . . . . A 45 ILE CG1 . 25656 1 455 . 1 1 45 45 ILE CG2 C 13 17.142 0.033 . . . . . A 45 ILE CG2 . 25656 1 456 . 1 1 45 45 ILE CD1 C 13 12.867 0.039 . . . . . A 45 ILE CD1 . 25656 1 457 . 1 1 45 45 ILE N N 15 122.575 0.090 . . . . . A 45 ILE N . 25656 1 458 . 1 1 46 46 ARG H H 1 8.112 0.009 . . . . . A 46 ARG H . 25656 1 459 . 1 1 46 46 ARG HA H 1 4.230 0.003 . . . . . A 46 ARG HA . 25656 1 460 . 1 1 46 46 ARG HB2 H 1 1.718 0.000 . . . . . A 46 ARG HB2 . 25656 1 461 . 1 1 46 46 ARG HB3 H 1 1.597 0.011 . . . . . A 46 ARG HB3 . 25656 1 462 . 1 1 46 46 ARG HG2 H 1 1.411 0.000 . . . . . A 46 ARG HG2 . 25656 1 463 . 1 1 46 46 ARG HD2 H 1 3.118 0.000 . . . . . A 46 ARG HD2 . 25656 1 464 . 1 1 46 46 ARG C C 13 174.757 0.000 . . . . . A 46 ARG C . 25656 1 465 . 1 1 46 46 ARG CA C 13 55.795 0.074 . . . . . A 46 ARG CA . 25656 1 466 . 1 1 46 46 ARG CB C 13 30.700 0.046 . . . . . A 46 ARG CB . 25656 1 467 . 1 1 46 46 ARG CG C 13 26.854 0.052 . . . . . A 46 ARG CG . 25656 1 468 . 1 1 46 46 ARG CD C 13 43.390 0.000 . . . . . A 46 ARG CD . 25656 1 469 . 1 1 46 46 ARG N N 15 125.127 0.043 . . . . . A 46 ARG N . 25656 1 470 . 1 1 47 47 ILE H H 1 7.781 0.007 . . . . . A 47 ILE H . 25656 1 471 . 1 1 47 47 ILE HA H 1 4.104 0.003 . . . . . A 47 ILE HA . 25656 1 472 . 1 1 47 47 ILE HB H 1 1.399 0.011 . . . . . A 47 ILE HB . 25656 1 473 . 1 1 47 47 ILE HG12 H 1 1.130 0.014 . . . . . A 47 ILE HG12 . 25656 1 474 . 1 1 47 47 ILE HG13 H 1 0.675 0.000 . . . . . A 47 ILE HG13 . 25656 1 475 . 1 1 47 47 ILE HG21 H 1 0.259 0.016 . . . . . A 47 ILE HG21 . 25656 1 476 . 1 1 47 47 ILE HG22 H 1 0.259 0.016 . . . . . A 47 ILE HG22 . 25656 1 477 . 1 1 47 47 ILE HG23 H 1 0.259 0.016 . . . . . A 47 ILE HG23 . 25656 1 478 . 1 1 47 47 ILE HD11 H 1 0.171 0.015 . . . . . A 47 ILE HD11 . 25656 1 479 . 1 1 47 47 ILE HD12 H 1 0.171 0.015 . . . . . A 47 ILE HD12 . 25656 1 480 . 1 1 47 47 ILE HD13 H 1 0.171 0.015 . . . . . A 47 ILE HD13 . 25656 1 481 . 1 1 47 47 ILE C C 13 174.500 0.000 . . . . . A 47 ILE C . 25656 1 482 . 1 1 47 47 ILE CA C 13 60.580 0.021 . . . . . A 47 ILE CA . 25656 1 483 . 1 1 47 47 ILE CB C 13 38.399 0.037 . . . . . A 47 ILE CB . 25656 1 484 . 1 1 47 47 ILE CG1 C 13 27.331 0.090 . . . . . A 47 ILE CG1 . 25656 1 485 . 1 1 47 47 ILE CG2 C 13 18.762 0.080 . . . . . A 47 ILE CG2 . 25656 1 486 . 1 1 47 47 ILE CD1 C 13 12.371 0.019 . . . . . A 47 ILE CD1 . 25656 1 487 . 1 1 47 47 ILE N N 15 125.531 0.060 . . . . . A 47 ILE N . 25656 1 488 . 1 1 48 48 LEU H H 1 8.754 0.013 . . . . . A 48 LEU H . 25656 1 489 . 1 1 48 48 LEU HA H 1 4.910 0.000 . . . . . A 48 LEU HA . 25656 1 490 . 1 1 48 48 LEU C C 13 174.536 0.000 . . . . . A 48 LEU C . 25656 1 491 . 1 1 48 48 LEU CA C 13 60.649 0.000 . . . . . A 48 LEU CA . 25656 1 492 . 1 1 48 48 LEU CB C 13 38.412 0.000 . . . . . A 48 LEU CB . 25656 1 493 . 1 1 48 48 LEU N N 15 129.762 0.063 . . . . . A 48 LEU N . 25656 1 494 . 1 1 49 49 PRO HA H 1 3.847 0.006 . . . . . A 49 PRO HA . 25656 1 495 . 1 1 49 49 PRO HB2 H 1 1.973 0.016 . . . . . A 49 PRO HB2 . 25656 1 496 . 1 1 49 49 PRO HB3 H 1 1.752 0.000 . . . . . A 49 PRO HB3 . 25656 1 497 . 1 1 49 49 PRO HG2 H 1 2.133 0.000 . . . . . A 49 PRO HG2 . 25656 1 498 . 1 1 49 49 PRO HG3 H 1 1.558 0.000 . . . . . A 49 PRO HG3 . 25656 1 499 . 1 1 49 49 PRO C C 13 177.177 0.000 . . . . . A 49 PRO C . 25656 1 500 . 1 1 49 49 PRO CA C 13 63.776 0.069 . . . . . A 49 PRO CA . 25656 1 501 . 1 1 49 49 PRO CB C 13 31.107 0.060 . . . . . A 49 PRO CB . 25656 1 502 . 1 1 49 49 PRO CG C 13 28.455 0.000 . . . . . A 49 PRO CG . 25656 1 503 . 1 1 49 49 PRO CD C 13 50.382 0.000 . . . . . A 49 PRO CD . 25656 1 504 . 1 1 50 50 GLY H H 1 9.247 0.005 . . . . . A 50 GLY H . 25656 1 505 . 1 1 50 50 GLY HA2 H 1 4.402 0.013 . . . . . A 50 GLY HA2 . 25656 1 506 . 1 1 50 50 GLY HA3 H 1 3.693 0.000 . . . . . A 50 GLY HA3 . 25656 1 507 . 1 1 50 50 GLY C C 13 174.684 0.014 . . . . . A 50 GLY C . 25656 1 508 . 1 1 50 50 GLY CA C 13 44.342 0.030 . . . . . A 50 GLY CA . 25656 1 509 . 1 1 50 50 GLY N N 15 115.039 0.036 . . . . . A 50 GLY N . 25656 1 510 . 1 1 51 51 ASP H H 1 8.157 0.007 . . . . . A 51 ASP H . 25656 1 511 . 1 1 51 51 ASP HA H 1 4.492 0.000 . . . . . A 51 ASP HA . 25656 1 512 . 1 1 51 51 ASP HB2 H 1 2.699 0.000 . . . . . A 51 ASP HB2 . 25656 1 513 . 1 1 51 51 ASP HB3 H 1 2.277 0.010 . . . . . A 51 ASP HB3 . 25656 1 514 . 1 1 51 51 ASP C C 13 175.571 0.000 . . . . . A 51 ASP C . 25656 1 515 . 1 1 51 51 ASP CA C 13 55.304 0.000 . . . . . A 51 ASP CA . 25656 1 516 . 1 1 51 51 ASP CB C 13 40.824 0.034 . . . . . A 51 ASP CB . 25656 1 517 . 1 1 51 51 ASP N N 15 122.122 0.021 . . . . . A 51 ASP N . 25656 1 518 . 1 1 52 52 LYS H H 1 8.501 0.009 . . . . . A 52 LYS H . 25656 1 519 . 1 1 52 52 LYS HA H 1 4.982 0.001 . . . . . A 52 LYS HA . 25656 1 520 . 1 1 52 52 LYS HB2 H 1 1.758 0.000 . . . . . A 52 LYS HB2 . 25656 1 521 . 1 1 52 52 LYS HG2 H 1 1.515 0.000 . . . . . A 52 LYS HG2 . 25656 1 522 . 1 1 52 52 LYS HD2 H 1 1.435 0.000 . . . . . A 52 LYS HD2 . 25656 1 523 . 1 1 52 52 LYS C C 13 176.797 0.012 . . . . . A 52 LYS C . 25656 1 524 . 1 1 52 52 LYS CA C 13 54.745 0.048 . . . . . A 52 LYS CA . 25656 1 525 . 1 1 52 52 LYS CB C 13 32.236 0.000 . . . . . A 52 LYS CB . 25656 1 526 . 1 1 52 52 LYS CG C 13 24.784 0.000 . . . . . A 52 LYS CG . 25656 1 527 . 1 1 52 52 LYS CD C 13 28.293 0.000 . . . . . A 52 LYS CD . 25656 1 528 . 1 1 52 52 LYS CE C 13 42.064 0.000 . . . . . A 52 LYS CE . 25656 1 529 . 1 1 52 52 LYS N N 15 121.252 0.023 . . . . . A 52 LYS N . 25656 1 530 . 1 1 53 53 VAL H H 1 8.552 0.010 . . . . . A 53 VAL H . 25656 1 531 . 1 1 53 53 VAL HA H 1 4.849 0.000 . . . . . A 53 VAL HA . 25656 1 532 . 1 1 53 53 VAL HB H 1 1.964 0.000 . . . . . A 53 VAL HB . 25656 1 533 . 1 1 53 53 VAL HG11 H 1 0.471 0.009 . . . . . A 53 VAL HG11 . 25656 1 534 . 1 1 53 53 VAL HG12 H 1 0.471 0.009 . . . . . A 53 VAL HG12 . 25656 1 535 . 1 1 53 53 VAL HG13 H 1 0.471 0.009 . . . . . A 53 VAL HG13 . 25656 1 536 . 1 1 53 53 VAL HG21 H 1 0.253 0.011 . . . . . A 53 VAL HG21 . 25656 1 537 . 1 1 53 53 VAL HG22 H 1 0.253 0.011 . . . . . A 53 VAL HG22 . 25656 1 538 . 1 1 53 53 VAL HG23 H 1 0.253 0.011 . . . . . A 53 VAL HG23 . 25656 1 539 . 1 1 53 53 VAL C C 13 174.261 0.020 . . . . . A 53 VAL C . 25656 1 540 . 1 1 53 53 VAL CA C 13 58.169 0.000 . . . . . A 53 VAL CA . 25656 1 541 . 1 1 53 53 VAL CB C 13 35.670 0.000 . . . . . A 53 VAL CB . 25656 1 542 . 1 1 53 53 VAL CG1 C 13 21.802 0.095 . . . . . A 53 VAL CG1 . 25656 1 543 . 1 1 53 53 VAL CG2 C 13 17.944 0.040 . . . . . A 53 VAL CG2 . 25656 1 544 . 1 1 53 53 VAL N N 15 114.328 0.043 . . . . . A 53 VAL N . 25656 1 545 . 1 1 54 54 THR H H 1 8.421 0.008 . . . . . A 54 THR H . 25656 1 546 . 1 1 54 54 THR HA H 1 4.642 0.003 . . . . . A 54 THR HA . 25656 1 547 . 1 1 54 54 THR HB H 1 3.672 0.007 . . . . . A 54 THR HB . 25656 1 548 . 1 1 54 54 THR HG21 H 1 0.932 0.003 . . . . . A 54 THR HG21 . 25656 1 549 . 1 1 54 54 THR HG22 H 1 0.932 0.003 . . . . . A 54 THR HG22 . 25656 1 550 . 1 1 54 54 THR HG23 H 1 0.932 0.003 . . . . . A 54 THR HG23 . 25656 1 551 . 1 1 54 54 THR C C 13 173.653 0.004 . . . . . A 54 THR C . 25656 1 552 . 1 1 54 54 THR CA C 13 62.276 0.244 . . . . . A 54 THR CA . 25656 1 553 . 1 1 54 54 THR CB C 13 69.042 0.422 . . . . . A 54 THR CB . 25656 1 554 . 1 1 54 54 THR CG2 C 13 22.029 0.137 . . . . . A 54 THR CG2 . 25656 1 555 . 1 1 54 54 THR N N 15 117.790 0.056 . . . . . A 54 THR N . 25656 1 556 . 1 1 55 55 VAL H H 1 9.096 0.005 . . . . . A 55 VAL H . 25656 1 557 . 1 1 55 55 VAL HA H 1 5.235 0.002 . . . . . A 55 VAL HA . 25656 1 558 . 1 1 55 55 VAL HB H 1 1.738 0.000 . . . . . A 55 VAL HB . 25656 1 559 . 1 1 55 55 VAL HG21 H 1 0.486 0.011 . . . . . A 55 VAL HG21 . 25656 1 560 . 1 1 55 55 VAL HG22 H 1 0.486 0.011 . . . . . A 55 VAL HG22 . 25656 1 561 . 1 1 55 55 VAL HG23 H 1 0.486 0.011 . . . . . A 55 VAL HG23 . 25656 1 562 . 1 1 55 55 VAL C C 13 174.027 0.030 . . . . . A 55 VAL C . 25656 1 563 . 1 1 55 55 VAL CA C 13 57.892 0.034 . . . . . A 55 VAL CA . 25656 1 564 . 1 1 55 55 VAL CB C 13 34.322 0.000 . . . . . A 55 VAL CB . 25656 1 565 . 1 1 55 55 VAL CG2 C 13 20.241 0.049 . . . . . A 55 VAL CG2 . 25656 1 566 . 1 1 55 55 VAL N N 15 120.671 0.039 . . . . . A 55 VAL N . 25656 1 567 . 1 1 56 56 GLU H H 1 9.094 0.007 . . . . . A 56 GLU H . 25656 1 568 . 1 1 56 56 GLU HA H 1 5.185 0.007 . . . . . A 56 GLU HA . 25656 1 569 . 1 1 56 56 GLU HB2 H 1 1.757 0.000 . . . . . A 56 GLU HB2 . 25656 1 570 . 1 1 56 56 GLU HG2 H 1 2.106 0.007 . . . . . A 56 GLU HG2 . 25656 1 571 . 1 1 56 56 GLU HG3 H 1 1.969 0.010 . . . . . A 56 GLU HG3 . 25656 1 572 . 1 1 56 56 GLU C C 13 175.974 0.011 . . . . . A 56 GLU C . 25656 1 573 . 1 1 56 56 GLU CA C 13 54.352 0.030 . . . . . A 56 GLU CA . 25656 1 574 . 1 1 56 56 GLU CB C 13 32.861 0.000 . . . . . A 56 GLU CB . 25656 1 575 . 1 1 56 56 GLU CG C 13 37.930 0.050 . . . . . A 56 GLU CG . 25656 1 576 . 1 1 56 56 GLU N N 15 121.070 0.049 . . . . . A 56 GLU N . 25656 1 577 . 1 1 57 57 LEU H H 1 9.030 0.007 . . . . . A 57 LEU H . 25656 1 578 . 1 1 57 57 LEU HA H 1 4.819 0.000 . . . . . A 57 LEU HA . 25656 1 579 . 1 1 57 57 LEU C C 13 175.906 0.078 . . . . . A 57 LEU C . 25656 1 580 . 1 1 57 57 LEU CA C 13 54.485 0.028 . . . . . A 57 LEU CA . 25656 1 581 . 1 1 57 57 LEU CB C 13 43.356 0.000 . . . . . A 57 LEU CB . 25656 1 582 . 1 1 57 57 LEU N N 15 124.646 0.040 . . . . . A 57 LEU N . 25656 1 583 . 1 1 58 58 THR H H 1 8.743 0.012 . . . . . A 58 THR H . 25656 1 584 . 1 1 58 58 THR HA H 1 4.841 0.000 . . . . . A 58 THR HA . 25656 1 585 . 1 1 58 58 THR HB H 1 4.095 0.005 . . . . . A 58 THR HB . 25656 1 586 . 1 1 58 58 THR HG21 H 1 1.130 0.001 . . . . . A 58 THR HG21 . 25656 1 587 . 1 1 58 58 THR HG22 H 1 1.130 0.001 . . . . . A 58 THR HG22 . 25656 1 588 . 1 1 58 58 THR HG23 H 1 1.130 0.001 . . . . . A 58 THR HG23 . 25656 1 589 . 1 1 58 58 THR C C 13 174.000 0.000 . . . . . A 58 THR C . 25656 1 590 . 1 1 58 58 THR CA C 13 58.292 0.000 . . . . . A 58 THR CA . 25656 1 591 . 1 1 58 58 THR CB C 13 68.768 0.698 . . . . . A 58 THR CB . 25656 1 592 . 1 1 58 58 THR CG2 C 13 21.472 0.039 . . . . . A 58 THR CG2 . 25656 1 593 . 1 1 58 58 THR N N 15 115.858 0.042 . . . . . A 58 THR N . 25656 1 594 . 1 1 59 59 PRO HA H 1 3.986 0.004 . . . . . A 59 PRO HA . 25656 1 595 . 1 1 59 59 PRO HB2 H 1 2.075 0.014 . . . . . A 59 PRO HB2 . 25656 1 596 . 1 1 59 59 PRO HB3 H 1 1.575 0.013 . . . . . A 59 PRO HB3 . 25656 1 597 . 1 1 59 59 PRO HG2 H 1 1.769 0.010 . . . . . A 59 PRO HG2 . 25656 1 598 . 1 1 59 59 PRO C C 13 176.595 0.000 . . . . . A 59 PRO C . 25656 1 599 . 1 1 59 59 PRO CA C 13 64.151 0.000 . . . . . A 59 PRO CA . 25656 1 600 . 1 1 59 59 PRO CB C 13 31.710 0.035 . . . . . A 59 PRO CB . 25656 1 601 . 1 1 59 59 PRO CG C 13 27.414 0.098 . . . . . A 59 PRO CG . 25656 1 602 . 1 1 59 59 PRO CD C 13 51.001 0.000 . . . . . A 59 PRO CD . 25656 1 603 . 1 1 60 60 TYR H H 1 7.112 0.009 . . . . . A 60 TYR H . 25656 1 604 . 1 1 60 60 TYR HA H 1 4.379 0.003 . . . . . A 60 TYR HA . 25656 1 605 . 1 1 60 60 TYR HB2 H 1 3.016 0.004 . . . . . A 60 TYR HB2 . 25656 1 606 . 1 1 60 60 TYR HB3 H 1 3.013 0.026 . . . . . A 60 TYR HB3 . 25656 1 607 . 1 1 60 60 TYR HD1 H 1 7.020 0.004 . . . . . A 60 TYR HD1 . 25656 1 608 . 1 1 60 60 TYR HD2 H 1 7.020 0.004 . . . . . A 60 TYR HD2 . 25656 1 609 . 1 1 60 60 TYR HE1 H 1 6.809 0.004 . . . . . A 60 TYR HE1 . 25656 1 610 . 1 1 60 60 TYR HE2 H 1 6.809 0.004 . . . . . A 60 TYR HE2 . 25656 1 611 . 1 1 60 60 TYR C C 13 175.399 0.020 . . . . . A 60 TYR C . 25656 1 612 . 1 1 60 60 TYR CA C 13 57.467 0.081 . . . . . A 60 TYR CA . 25656 1 613 . 1 1 60 60 TYR CB C 13 37.610 0.021 . . . . . A 60 TYR CB . 25656 1 614 . 1 1 60 60 TYR CD1 C 13 133.085 0.000 . . . . . A 60 TYR CD1 . 25656 1 615 . 1 1 60 60 TYR CE1 C 13 118.465 0.000 . . . . . A 60 TYR CE1 . 25656 1 616 . 1 1 60 60 TYR N N 15 113.107 0.029 . . . . . A 60 TYR N . 25656 1 617 . 1 1 61 61 ASP H H 1 7.389 0.006 . . . . . A 61 ASP H . 25656 1 618 . 1 1 61 61 ASP HA H 1 4.647 0.000 . . . . . A 61 ASP HA . 25656 1 619 . 1 1 61 61 ASP HB2 H 1 2.654 0.000 . . . . . A 61 ASP HB2 . 25656 1 620 . 1 1 61 61 ASP HB3 H 1 2.533 0.000 . . . . . A 61 ASP HB3 . 25656 1 621 . 1 1 61 61 ASP C C 13 175.315 0.009 . . . . . A 61 ASP C . 25656 1 622 . 1 1 61 61 ASP CA C 13 53.770 0.000 . . . . . A 61 ASP CA . 25656 1 623 . 1 1 61 61 ASP CB C 13 40.718 0.000 . . . . . A 61 ASP CB . 25656 1 624 . 1 1 61 61 ASP N N 15 118.812 0.027 . . . . . A 61 ASP N . 25656 1 625 . 1 1 62 62 LEU H H 1 8.546 0.007 . . . . . A 62 LEU H . 25656 1 626 . 1 1 62 62 LEU HA H 1 4.292 0.000 . . . . . A 62 LEU HA . 25656 1 627 . 1 1 62 62 LEU C C 13 175.285 0.000 . . . . . A 62 LEU C . 25656 1 628 . 1 1 62 62 LEU CA C 13 53.827 0.000 . . . . . A 62 LEU CA . 25656 1 629 . 1 1 62 62 LEU CB C 13 40.743 0.000 . . . . . A 62 LEU CB . 25656 1 630 . 1 1 62 62 LEU N N 15 123.980 0.051 . . . . . A 62 LEU N . 25656 1 631 . 1 1 63 63 SER H H 1 8.307 0.006 . . . . . A 63 SER H . 25656 1 632 . 1 1 63 63 SER HA H 1 4.506 0.003 . . . . . A 63 SER HA . 25656 1 633 . 1 1 63 63 SER HB2 H 1 3.988 0.008 . . . . . A 63 SER HB2 . 25656 1 634 . 1 1 63 63 SER HB3 H 1 3.858 0.006 . . . . . A 63 SER HB3 . 25656 1 635 . 1 1 63 63 SER C C 13 174.295 0.024 . . . . . A 63 SER C . 25656 1 636 . 1 1 63 63 SER CA C 13 59.561 0.056 . . . . . A 63 SER CA . 25656 1 637 . 1 1 63 63 SER CB C 13 64.377 0.051 . . . . . A 63 SER CB . 25656 1 638 . 1 1 63 63 SER N N 15 113.177 0.031 . . . . . A 63 SER N . 25656 1 639 . 1 1 64 64 ARG H H 1 7.477 0.004 . . . . . A 64 ARG H . 25656 1 640 . 1 1 64 64 ARG HA H 1 4.996 0.015 . . . . . A 64 ARG HA . 25656 1 641 . 1 1 64 64 ARG HB2 H 1 1.715 0.004 . . . . . A 64 ARG HB2 . 25656 1 642 . 1 1 64 64 ARG HB3 H 1 1.873 0.007 . . . . . A 64 ARG HB3 . 25656 1 643 . 1 1 64 64 ARG HG2 H 1 1.542 0.009 . . . . . A 64 ARG HG2 . 25656 1 644 . 1 1 64 64 ARG HD2 H 1 3.113 0.000 . . . . . A 64 ARG HD2 . 25656 1 645 . 1 1 64 64 ARG C C 13 174.350 0.088 . . . . . A 64 ARG C . 25656 1 646 . 1 1 64 64 ARG CA C 13 54.956 0.052 . . . . . A 64 ARG CA . 25656 1 647 . 1 1 64 64 ARG CB C 13 32.772 0.000 . . . . . A 64 ARG CB . 25656 1 648 . 1 1 64 64 ARG CG C 13 27.241 0.054 . . . . . A 64 ARG CG . 25656 1 649 . 1 1 64 64 ARG CD C 13 43.713 0.000 . . . . . A 64 ARG CD . 25656 1 650 . 1 1 64 64 ARG N N 15 121.271 0.029 . . . . . A 64 ARG N . 25656 1 651 . 1 1 65 65 ALA H H 1 8.371 0.021 . . . . . A 65 ALA H . 25656 1 652 . 1 1 65 65 ALA HA H 1 4.821 0.004 . . . . . A 65 ALA HA . 25656 1 653 . 1 1 65 65 ALA HB1 H 1 1.095 0.008 . . . . . A 65 ALA HB1 . 25656 1 654 . 1 1 65 65 ALA HB2 H 1 1.095 0.008 . . . . . A 65 ALA HB2 . 25656 1 655 . 1 1 65 65 ALA HB3 H 1 1.095 0.008 . . . . . A 65 ALA HB3 . 25656 1 656 . 1 1 65 65 ALA C C 13 175.764 0.041 . . . . . A 65 ALA C . 25656 1 657 . 1 1 65 65 ALA CA C 13 51.114 0.039 . . . . . A 65 ALA CA . 25656 1 658 . 1 1 65 65 ALA CB C 13 22.447 0.020 . . . . . A 65 ALA CB . 25656 1 659 . 1 1 65 65 ALA N N 15 121.899 0.111 . . . . . A 65 ALA N . 25656 1 660 . 1 1 66 66 ARG H H 1 8.531 0.005 . . . . . A 66 ARG H . 25656 1 661 . 1 1 66 66 ARG HA H 1 4.682 0.000 . . . . . A 66 ARG HA . 25656 1 662 . 1 1 66 66 ARG HB3 H 1 1.659 0.000 . . . . . A 66 ARG HB3 . 25656 1 663 . 1 1 66 66 ARG HG2 H 1 1.497 0.008 . . . . . A 66 ARG HG2 . 25656 1 664 . 1 1 66 66 ARG HG3 H 1 1.400 0.009 . . . . . A 66 ARG HG3 . 25656 1 665 . 1 1 66 66 ARG HD2 H 1 3.159 0.000 . . . . . A 66 ARG HD2 . 25656 1 666 . 1 1 66 66 ARG C C 13 175.669 0.000 . . . . . A 66 ARG C . 25656 1 667 . 1 1 66 66 ARG CA C 13 54.202 0.049 . . . . . A 66 ARG CA . 25656 1 668 . 1 1 66 66 ARG CB C 13 32.697 0.072 . . . . . A 66 ARG CB . 25656 1 669 . 1 1 66 66 ARG CG C 13 27.563 0.033 . . . . . A 66 ARG CG . 25656 1 670 . 1 1 66 66 ARG CD C 13 43.443 0.000 . . . . . A 66 ARG CD . 25656 1 671 . 1 1 66 66 ARG N N 15 120.933 0.009 . . . . . A 66 ARG N . 25656 1 672 . 1 1 67 67 ILE H H 1 8.720 0.014 . . . . . A 67 ILE H . 25656 1 673 . 1 1 67 67 ILE HA H 1 4.532 0.006 . . . . . A 67 ILE HA . 25656 1 674 . 1 1 67 67 ILE HB H 1 1.717 0.000 . . . . . A 67 ILE HB . 25656 1 675 . 1 1 67 67 ILE HG12 H 1 0.934 0.000 . . . . . A 67 ILE HG12 . 25656 1 676 . 1 1 67 67 ILE HG21 H 1 0.577 0.000 . . . . . A 67 ILE HG21 . 25656 1 677 . 1 1 67 67 ILE HG22 H 1 0.577 0.000 . . . . . A 67 ILE HG22 . 25656 1 678 . 1 1 67 67 ILE HG23 H 1 0.577 0.000 . . . . . A 67 ILE HG23 . 25656 1 679 . 1 1 67 67 ILE HD11 H 1 0.283 0.000 . . . . . A 67 ILE HD11 . 25656 1 680 . 1 1 67 67 ILE HD12 H 1 0.283 0.000 . . . . . A 67 ILE HD12 . 25656 1 681 . 1 1 67 67 ILE HD13 H 1 0.283 0.000 . . . . . A 67 ILE HD13 . 25656 1 682 . 1 1 67 67 ILE C C 13 174.856 0.000 . . . . . A 67 ILE C . 25656 1 683 . 1 1 67 67 ILE CA C 13 60.726 0.088 . . . . . A 67 ILE CA . 25656 1 684 . 1 1 67 67 ILE CB C 13 34.516 0.000 . . . . . A 67 ILE CB . 25656 1 685 . 1 1 67 67 ILE CG2 C 13 21.147 0.000 . . . . . A 67 ILE CG2 . 25656 1 686 . 1 1 67 67 ILE CD1 C 13 13.777 0.000 . . . . . A 67 ILE CD1 . 25656 1 687 . 1 1 67 67 ILE N N 15 125.277 0.061 . . . . . A 67 ILE N . 25656 1 688 . 1 1 68 68 VAL H H 1 9.141 0.009 . . . . . A 68 VAL H . 25656 1 689 . 1 1 68 68 VAL HA H 1 4.672 0.001 . . . . . A 68 VAL HA . 25656 1 690 . 1 1 68 68 VAL HB H 1 1.854 0.004 . . . . . A 68 VAL HB . 25656 1 691 . 1 1 68 68 VAL HG21 H 1 1.110 0.015 . . . . . A 68 VAL HG21 . 25656 1 692 . 1 1 68 68 VAL HG22 H 1 1.110 0.015 . . . . . A 68 VAL HG22 . 25656 1 693 . 1 1 68 68 VAL HG23 H 1 1.110 0.015 . . . . . A 68 VAL HG23 . 25656 1 694 . 1 1 68 68 VAL C C 13 176.302 0.002 . . . . . A 68 VAL C . 25656 1 695 . 1 1 68 68 VAL CA C 13 55.027 0.083 . . . . . A 68 VAL CA . 25656 1 696 . 1 1 68 68 VAL CB C 13 33.695 0.043 . . . . . A 68 VAL CB . 25656 1 697 . 1 1 68 68 VAL CG1 C 13 29.378 0.000 . . . . . A 68 VAL CG1 . 25656 1 698 . 1 1 68 68 VAL CG2 C 13 24.239 0.039 . . . . . A 68 VAL CG2 . 25656 1 699 . 1 1 68 68 VAL N N 15 128.292 0.035 . . . . . A 68 VAL N . 25656 1 700 . 1 1 69 69 PHE H H 1 9.256 0.014 . . . . . A 69 PHE H . 25656 1 701 . 1 1 69 69 PHE HA H 1 4.679 0.000 . . . . . A 69 PHE HA . 25656 1 702 . 1 1 69 69 PHE C C 13 176.295 0.000 . . . . . A 69 PHE C . 25656 1 703 . 1 1 69 69 PHE CA C 13 55.054 0.000 . . . . . A 69 PHE CA . 25656 1 704 . 1 1 69 69 PHE CB C 13 33.698 0.000 . . . . . A 69 PHE CB . 25656 1 705 . 1 1 69 69 PHE N N 15 129.227 0.056 . . . . . A 69 PHE N . 25656 1 706 . 1 1 70 70 ARG H H 1 8.277 0.001 . . . . . A 70 ARG H . 25656 1 707 . 1 1 70 70 ARG HA H 1 4.027 0.000 . . . . . A 70 ARG HA . 25656 1 708 . 1 1 70 70 ARG C C 13 176.193 0.000 . . . . . A 70 ARG C . 25656 1 709 . 1 1 70 70 ARG CA C 13 56.660 0.000 . . . . . A 70 ARG CA . 25656 1 710 . 1 1 70 70 ARG CB C 13 30.010 0.000 . . . . . A 70 ARG CB . 25656 1 711 . 1 1 70 70 ARG N N 15 121.729 0.005 . . . . . A 70 ARG N . 25656 1 712 . 1 1 71 71 ALA H H 1 8.166 0.015 . . . . . A 71 ALA H . 25656 1 713 . 1 1 71 71 ALA C C 13 177.627 0.000 . . . . . A 71 ALA C . 25656 1 714 . 1 1 71 71 ALA CA C 13 52.479 0.000 . . . . . A 71 ALA CA . 25656 1 715 . 1 1 71 71 ALA CB C 13 19.027 0.000 . . . . . A 71 ALA CB . 25656 1 716 . 1 1 71 71 ALA N N 15 124.554 0.017 . . . . . A 71 ALA N . 25656 1 717 . 1 1 72 72 LYS H H 1 8.256 0.004 . . . . . A 72 LYS H . 25656 1 718 . 1 1 72 72 LYS CA C 13 55.776 0.000 . . . . . A 72 LYS CA . 25656 1 719 . 1 1 72 72 LYS CB C 13 29.393 0.000 . . . . . A 72 LYS CB . 25656 1 720 . 1 1 72 72 LYS N N 15 119.523 0.029 . . . . . A 72 LYS N . 25656 1 stop_ save_