data_7181 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7181 _Entry.Title ; Solution Structure of Hypothetical protein PA4359: Northeast Structural Genomics Target PaT89 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-06-21 _Entry.Accession_date 2006-07-14 _Entry.Last_release_date 2006-11-08 _Entry.Original_release_date 2006-11-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Q. Zhang . . . 7181 2 G. Liu . . . 7181 3 A. Yee . . . 7181 4 C. Arrowsmith . . . 7181 5 T. Szyperski . . . 7181 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7181 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 250 7181 '15N chemical shifts' 67 7181 '1H chemical shifts' 531 7181 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 . . 2006-11-08 2006-06-21 original author . 7181 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2H3J 'BMRB Entry Tracking System' 7181 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7181 _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 'Solution Structure of Hypothetical protein PA4359: Northest Structural Genomics Target PaT89' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev . _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 Q. Zhang . . . 7181 1 2 G. Liu . . . 7181 1 3 A. Yee . . . 7181 1 4 C. Arrowsmith . . . 7181 1 5 T. Szyperski . . . 7181 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'GFT NMR' 7181 1 NESG 7181 1 'Northeast Structural Genomics Consortium' 7181 1 PaT89 7181 1 'Protein Structure Initiative' 7181 1 PSI-2 7181 1 'Structural Genomics' 7181 1 'STRUCTURAL GENOMICS' 7181 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PA4359 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PA4359 _Assembly.Entry_ID 7181 _Assembly.ID 1 _Assembly.Name 'Hypothetical protein PA4359' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 7181 1 stop_ 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 'Hypothetical protein PA4359' 1 $PA4359 . . . native . . . . . 7181 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2H3J . . . . . . 7181 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Hypothetical protein PA4359' abbreviation 7181 1 'Hypothetical protein PA4359' system 7181 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PA4359 _Entity.Sf_category entity _Entity.Sf_framecode PA4359 _Entity.Entry_ID 7181 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Hypothetical protein PA4359' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSALQPSRSYRITGYSPAIS NGYRQRLFSMGLLPGAALRV VRIAPLGDPIQVETRQTSLA LRRKDLALLTLVPLD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 2H3J . "Solution Nmr Structure Of Protein Pa4359 From Pseudomonas Aeruginosa: Northeast Structural Genomics Consortium Target Pat89" . . . . . 100.00 75 100.00 100.00 2.15e-43 . . . . 7181 1 2 no DBJ BAK88116 . "ferrous iron transport protein A [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 100.00 75 98.67 100.00 3.08e-43 . . . . 7181 1 3 no DBJ BAP21294 . "ferrous iron transport protein A [Pseudomonas aeruginosa]" . . . . . 100.00 75 98.67 100.00 3.08e-43 . . . . 7181 1 4 no DBJ BAP52855 . "ferrous iron transport protein A [Pseudomonas aeruginosa]" . . . . . 100.00 75 98.67 100.00 3.08e-43 . . . . 7181 1 5 no DBJ GAA21207 . "putative iron transport protein [Pseudomonas aeruginosa NCMG1179]" . . . . . 100.00 75 100.00 100.00 2.15e-43 . . . . 7181 1 6 no DBJ GAJ55663 . "ferrous iron transport protein A [Pseudomonas aeruginosa RB]" . . . . . 100.00 75 100.00 100.00 2.15e-43 . . . . 7181 1 7 no EMBL CAW29491 . "putative iron transport protein [Pseudomonas aeruginosa LESB58]" . . . . . 100.00 75 100.00 100.00 2.15e-43 . . . . 7181 1 8 no EMBL CCQ87292 . "Ferrous iron transport protein A [Pseudomonas aeruginosa 18A]" . . . . . 100.00 75 100.00 100.00 2.15e-43 . . . . 7181 1 9 no EMBL CCQ87507 . "Ferrous iron transport protein A [Pseudomonas aeruginosa 18A]" . . . . . 100.00 75 100.00 100.00 2.15e-43 . . . . 7181 1 10 no EMBL CDH72943 . "hypothetical protein P38_4740 [Pseudomonas aeruginosa MH38]" . . . . . 100.00 120 100.00 100.00 3.63e-43 . . . . 7181 1 11 no EMBL CDH79240 . "hypothetical protein PAMH27_4868 [Pseudomonas aeruginosa MH27]" . . . . . 100.00 75 98.67 100.00 3.08e-43 . . . . 7181 1 12 no GB AAG07747 . "conserved hypothetical protein [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 75 100.00 100.00 2.15e-43 . . . . 7181 1 13 no GB AAT50626 . "PA4359, partial [synthetic construct]" . . . . . 100.00 76 100.00 100.00 2.23e-43 . . . . 7181 1 14 no GB ABJ13629 . "putative iron transport protein [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 100.00 75 100.00 100.00 2.15e-43 . . . . 7181 1 15 no GB ABR85041 . "conserved hypothetical protein [Pseudomonas aeruginosa PA7]" . . . . . 100.00 75 97.33 98.67 2.80e-42 . . . . 7181 1 16 no GB AEO76930 . "ferrous iron transport protein A [Pseudomonas aeruginosa M18]" . . . . . 100.00 75 100.00 100.00 2.15e-43 . . . . 7181 1 17 no REF NP_253049 . "ferrous iron transporter A [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 75 100.00 100.00 2.15e-43 . . . . 7181 1 18 no REF WP_003093986 . "iron transporter [Pseudomonas aeruginosa]" . . . . . 100.00 75 98.67 100.00 3.08e-43 . . . . 7181 1 19 no REF WP_003103819 . "MULTISPECIES: iron transporter [Pseudomonas]" . . . . . 100.00 75 100.00 100.00 2.15e-43 . . . . 7181 1 20 no REF WP_003157276 . "iron transporter [Pseudomonas aeruginosa]" . . . . . 100.00 75 97.33 98.67 2.80e-42 . . . . 7181 1 21 no REF WP_015503515 . "ferrous iron transport protein A [Pseudomonas aeruginosa]" . . . . . 100.00 75 98.67 100.00 6.11e-43 . . . . 7181 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Hypothetical protein PA4359' abbreviation 7181 1 'Hypothetical protein PA4359' common 7181 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 . 7181 1 2 . SER . 7181 1 3 . ALA . 7181 1 4 . LEU . 7181 1 5 . GLN . 7181 1 6 . PRO . 7181 1 7 . SER . 7181 1 8 . ARG . 7181 1 9 . SER . 7181 1 10 . TYR . 7181 1 11 . ARG . 7181 1 12 . ILE . 7181 1 13 . THR . 7181 1 14 . GLY . 7181 1 15 . TYR . 7181 1 16 . SER . 7181 1 17 . PRO . 7181 1 18 . ALA . 7181 1 19 . ILE . 7181 1 20 . SER . 7181 1 21 . ASN . 7181 1 22 . GLY . 7181 1 23 . TYR . 7181 1 24 . ARG . 7181 1 25 . GLN . 7181 1 26 . ARG . 7181 1 27 . LEU . 7181 1 28 . PHE . 7181 1 29 . SER . 7181 1 30 . MET . 7181 1 31 . GLY . 7181 1 32 . LEU . 7181 1 33 . LEU . 7181 1 34 . PRO . 7181 1 35 . GLY . 7181 1 36 . ALA . 7181 1 37 . ALA . 7181 1 38 . LEU . 7181 1 39 . ARG . 7181 1 40 . VAL . 7181 1 41 . VAL . 7181 1 42 . ARG . 7181 1 43 . ILE . 7181 1 44 . ALA . 7181 1 45 . PRO . 7181 1 46 . LEU . 7181 1 47 . GLY . 7181 1 48 . ASP . 7181 1 49 . PRO . 7181 1 50 . ILE . 7181 1 51 . GLN . 7181 1 52 . VAL . 7181 1 53 . GLU . 7181 1 54 . THR . 7181 1 55 . ARG . 7181 1 56 . GLN . 7181 1 57 . THR . 7181 1 58 . SER . 7181 1 59 . LEU . 7181 1 60 . ALA . 7181 1 61 . LEU . 7181 1 62 . ARG . 7181 1 63 . ARG . 7181 1 64 . LYS . 7181 1 65 . ASP . 7181 1 66 . LEU . 7181 1 67 . ALA . 7181 1 68 . LEU . 7181 1 69 . LEU . 7181 1 70 . THR . 7181 1 71 . LEU . 7181 1 72 . VAL . 7181 1 73 . PRO . 7181 1 74 . LEU . 7181 1 75 . ASP . 7181 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 7181 1 . SER 2 2 7181 1 . ALA 3 3 7181 1 . LEU 4 4 7181 1 . GLN 5 5 7181 1 . PRO 6 6 7181 1 . SER 7 7 7181 1 . ARG 8 8 7181 1 . SER 9 9 7181 1 . TYR 10 10 7181 1 . ARG 11 11 7181 1 . ILE 12 12 7181 1 . THR 13 13 7181 1 . GLY 14 14 7181 1 . TYR 15 15 7181 1 . SER 16 16 7181 1 . PRO 17 17 7181 1 . ALA 18 18 7181 1 . ILE 19 19 7181 1 . SER 20 20 7181 1 . ASN 21 21 7181 1 . GLY 22 22 7181 1 . TYR 23 23 7181 1 . ARG 24 24 7181 1 . GLN 25 25 7181 1 . ARG 26 26 7181 1 . LEU 27 27 7181 1 . PHE 28 28 7181 1 . SER 29 29 7181 1 . MET 30 30 7181 1 . GLY 31 31 7181 1 . LEU 32 32 7181 1 . LEU 33 33 7181 1 . PRO 34 34 7181 1 . GLY 35 35 7181 1 . ALA 36 36 7181 1 . ALA 37 37 7181 1 . LEU 38 38 7181 1 . ARG 39 39 7181 1 . VAL 40 40 7181 1 . VAL 41 41 7181 1 . ARG 42 42 7181 1 . ILE 43 43 7181 1 . ALA 44 44 7181 1 . PRO 45 45 7181 1 . LEU 46 46 7181 1 . GLY 47 47 7181 1 . ASP 48 48 7181 1 . PRO 49 49 7181 1 . ILE 50 50 7181 1 . GLN 51 51 7181 1 . VAL 52 52 7181 1 . GLU 53 53 7181 1 . THR 54 54 7181 1 . ARG 55 55 7181 1 . GLN 56 56 7181 1 . THR 57 57 7181 1 . SER 58 58 7181 1 . LEU 59 59 7181 1 . ALA 60 60 7181 1 . LEU 61 61 7181 1 . ARG 62 62 7181 1 . ARG 63 63 7181 1 . LYS 64 64 7181 1 . ASP 65 65 7181 1 . LEU 66 66 7181 1 . ALA 67 67 7181 1 . LEU 68 68 7181 1 . LEU 69 69 7181 1 . THR 70 70 7181 1 . LEU 71 71 7181 1 . VAL 72 72 7181 1 . PRO 73 73 7181 1 . LEU 74 74 7181 1 . ASP 75 75 7181 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 7181 _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 $PA4359 . 287 . . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Eubacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . . . . . . . . . 7181 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 7181 _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 $PA4359 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 7181 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7181 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Hypothetical protein PA4359' '[U-13C; U-15N]' . . 1 $PA4359 . . 0.7 . . mM . . . . 7181 1 2 tris . . . . . . . 10 . . mM . . . . 7181 1 3 NaCl . . . . . . . 300 . . mM . . . . 7181 1 4 glycerol . . . . . . . 5 . . % . . . . 7181 1 5 NaN3 . . . . . . . 0.01 . . % . . . . 7181 1 6 benzamidiine . . . . . . . 1 . . mM . . . . 7181 1 7 H2O . . . . . . . 90 . . % . . . . 7181 1 8 D2O . . . . . . . 10 . . % . . . . 7181 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 7181 _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 7.0 . pH 7181 1 pressure 1 . atm 7181 1 temperature 298 . K 7181 1 stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 7181 _Software.ID 1 _Software.Name DYANA _Software.Version 1.5 _Software.Details 'Peter Gntert' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7181 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7181 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details 'F. Delaglio' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7181 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 7181 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details 'Peter Gntert' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7181 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 7181 _Software.ID 4 _Software.Name CNS _Software.Version 1.1 _Software.Details A.T.Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7181 4 stop_ save_ save_Xeasy _Software.Sf_category software _Software.Sf_framecode Xeasy _Software.Entry_ID 7181 _Software.ID 5 _Software.Name XEASY _Software.Version 1.3 _Software.Details 'Christian Bartels and Tai-he Xia' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7181 5 stop_ save_ save_Autostructure _Software.Sf_category software _Software.Sf_framecode Autostructure _Software.Entry_ID 7181 _Software.ID 6 _Software.Name AutoStruct _Software.Version 2.0.0 _Software.Details 'Huang, Y. J.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7181 6 stop_ save_ save_UBNMR _Software.Sf_category software _Software.Sf_framecode UBNMR _Software.Entry_ID 7181 _Software.ID 7 _Software.Name UBNMR _Software.Version 1.0 _Software.Details 'Yang Shen' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7181 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 7181 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7181 _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 NMR_spectrometer Varian INOVA . 600 . . . 7181 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 7181 _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 'GFT (4,3)D HNNCABCA' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7181 1 2 'GFT (4,3)D CABCA(CO)NHN' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7181 1 3 'GFT (4,3)D HABCAB(CO)NHN' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7181 1 4 'GFT (4,3)D HCCH' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7181 1 5 'SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7181 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 7181 _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 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 7181 1 H 1 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 7181 1 N 15 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 7181 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7181 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 7181 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 2 2 SER CA C 13 58.6 . . 1 . . . . . . . . 7181 1 2 . 1 1 2 2 SER HA H 1 4.35 . . 1 . . . . . . . . 7181 1 3 . 1 1 2 2 SER CB C 13 63.4 . . 1 . . . . . . . . 7181 1 4 . 1 1 2 2 SER HB2 H 1 3.82 . . 2 . . . . . . . . 7181 1 5 . 1 1 2 2 SER HB3 H 1 3.88 . . 2 . . . . . . . . 7181 1 6 . 1 1 3 3 ALA N N 15 124.7 . . 1 . . . . . . . . 7181 1 7 . 1 1 3 3 ALA H H 1 8.10 . . 1 . . . . . . . . 7181 1 8 . 1 1 3 3 ALA CA C 13 52.0 . . 1 . . . . . . . . 7181 1 9 . 1 1 3 3 ALA HA H 1 4.34 . . 1 . . . . . . . . 7181 1 10 . 1 1 3 3 ALA HB1 H 1 1.36 . . 1 . . . . . . . . 7181 1 11 . 1 1 3 3 ALA HB2 H 1 1.36 . . 1 . . . . . . . . 7181 1 12 . 1 1 3 3 ALA HB3 H 1 1.36 . . 1 . . . . . . . . 7181 1 13 . 1 1 3 3 ALA CB C 13 19.3 . . 1 . . . . . . . . 7181 1 14 . 1 1 4 4 LEU N N 15 121.0 . . 1 . . . . . . . . 7181 1 15 . 1 1 4 4 LEU H H 1 7.90 . . 1 . . . . . . . . 7181 1 16 . 1 1 4 4 LEU CA C 13 54.6 . . 1 . . . . . . . . 7181 1 17 . 1 1 4 4 LEU HA H 1 4.20 . . 1 . . . . . . . . 7181 1 18 . 1 1 4 4 LEU CB C 13 42.5 . . 1 . . . . . . . . 7181 1 19 . 1 1 4 4 LEU HB2 H 1 1.13 . . 2 . . . . . . . . 7181 1 20 . 1 1 4 4 LEU HB3 H 1 1.50 . . 2 . . . . . . . . 7181 1 21 . 1 1 4 4 LEU CG C 13 26.4 . . 1 . . . . . . . . 7181 1 22 . 1 1 4 4 LEU HG H 1 1.40 . . 1 . . . . . . . . 7181 1 23 . 1 1 4 4 LEU HD11 H 1 0.50 . . 2 . . . . . . . . 7181 1 24 . 1 1 4 4 LEU HD12 H 1 0.50 . . 2 . . . . . . . . 7181 1 25 . 1 1 4 4 LEU HD13 H 1 0.50 . . 2 . . . . . . . . 7181 1 26 . 1 1 4 4 LEU HD21 H 1 0.18 . . 2 . . . . . . . . 7181 1 27 . 1 1 4 4 LEU HD22 H 1 0.18 . . 2 . . . . . . . . 7181 1 28 . 1 1 4 4 LEU HD23 H 1 0.18 . . 2 . . . . . . . . 7181 1 29 . 1 1 4 4 LEU CD1 C 13 25.5 . . 1 . . . . . . . . 7181 1 30 . 1 1 4 4 LEU CD2 C 13 22.4 . . 1 . . . . . . . . 7181 1 31 . 1 1 6 6 PRO CD C 13 50.3 . . 1 . . . . . . . . 7181 1 32 . 1 1 6 6 PRO CA C 13 62.6 . . 1 . . . . . . . . 7181 1 33 . 1 1 6 6 PRO HA H 1 4.09 . . 1 . . . . . . . . 7181 1 34 . 1 1 6 6 PRO CB C 13 32.0 . . 1 . . . . . . . . 7181 1 35 . 1 1 6 6 PRO HB2 H 1 2.00 . . 2 . . . . . . . . 7181 1 36 . 1 1 6 6 PRO HB3 H 1 2.11 . . 2 . . . . . . . . 7181 1 37 . 1 1 6 6 PRO CG C 13 27.8 . . 1 . . . . . . . . 7181 1 38 . 1 1 6 6 PRO HG2 H 1 1.84 . . 2 . . . . . . . . 7181 1 39 . 1 1 6 6 PRO HG3 H 1 2.17 . . 2 . . . . . . . . 7181 1 40 . 1 1 6 6 PRO HD2 H 1 3.70 . . 1 . . . . . . . . 7181 1 41 . 1 1 6 6 PRO HD3 H 1 3.70 . . 1 . . . . . . . . 7181 1 42 . 1 1 7 7 SER N N 15 114.0 . . 1 . . . . . . . . 7181 1 43 . 1 1 7 7 SER H H 1 8.82 . . 1 . . . . . . . . 7181 1 44 . 1 1 7 7 SER CA C 13 60.4 . . 1 . . . . . . . . 7181 1 45 . 1 1 7 7 SER HA H 1 4.02 . . 1 . . . . . . . . 7181 1 46 . 1 1 7 7 SER CB C 13 62.5 . . 1 . . . . . . . . 7181 1 47 . 1 1 7 7 SER HB2 H 1 4.12 . . 2 . . . . . . . . 7181 1 48 . 1 1 7 7 SER HB3 H 1 4.07 . . 2 . . . . . . . . 7181 1 49 . 1 1 8 8 ARG N N 15 120.2 . . 1 . . . . . . . . 7181 1 50 . 1 1 8 8 ARG H H 1 7.63 . . 1 . . . . . . . . 7181 1 51 . 1 1 8 8 ARG CA C 13 55.0 . . 1 . . . . . . . . 7181 1 52 . 1 1 8 8 ARG HA H 1 4.51 . . 1 . . . . . . . . 7181 1 53 . 1 1 8 8 ARG CB C 13 32.0 . . 1 . . . . . . . . 7181 1 54 . 1 1 8 8 ARG HB2 H 1 1.96 . . 2 . . . . . . . . 7181 1 55 . 1 1 8 8 ARG HB3 H 1 1.81 . . 2 . . . . . . . . 7181 1 56 . 1 1 8 8 ARG CG C 13 27.3 . . 1 . . . . . . . . 7181 1 57 . 1 1 8 8 ARG HG2 H 1 1.57 . . 2 . . . . . . . . 7181 1 58 . 1 1 8 8 ARG HG3 H 1 1.43 . . 2 . . . . . . . . 7181 1 59 . 1 1 8 8 ARG CD C 13 42.8 . . 1 . . . . . . . . 7181 1 60 . 1 1 8 8 ARG HD2 H 1 3.09 . . 2 . . . . . . . . 7181 1 61 . 1 1 8 8 ARG HD3 H 1 3.13 . . 2 . . . . . . . . 7181 1 62 . 1 1 9 9 SER N N 15 116.4 . . 1 . . . . . . . . 7181 1 63 . 1 1 9 9 SER H H 1 8.42 . . 1 . . . . . . . . 7181 1 64 . 1 1 9 9 SER CA C 13 57.5 . . 1 . . . . . . . . 7181 1 65 . 1 1 9 9 SER HA H 1 5.68 . . 1 . . . . . . . . 7181 1 66 . 1 1 9 9 SER CB C 13 65.6 . . 1 . . . . . . . . 7181 1 67 . 1 1 9 9 SER HB2 H 1 3.62 . . 1 . . . . . . . . 7181 1 68 . 1 1 9 9 SER HB3 H 1 3.62 . . 1 . . . . . . . . 7181 1 69 . 1 1 10 10 TYR N N 15 120.6 . . 1 . . . . . . . . 7181 1 70 . 1 1 10 10 TYR H H 1 9.38 . . 1 . . . . . . . . 7181 1 71 . 1 1 10 10 TYR CA C 13 56.8 . . 1 . . . . . . . . 7181 1 72 . 1 1 10 10 TYR HA H 1 4.98 . . 1 . . . . . . . . 7181 1 73 . 1 1 10 10 TYR CB C 13 43.9 . . 1 . . . . . . . . 7181 1 74 . 1 1 10 10 TYR HB2 H 1 2.79 . . 2 . . . . . . . . 7181 1 75 . 1 1 10 10 TYR HB3 H 1 2.42 . . 2 . . . . . . . . 7181 1 76 . 1 1 10 10 TYR HD1 H 1 6.70 . . 1 . . . . . . . . 7181 1 77 . 1 1 10 10 TYR HD2 H 1 6.70 . . 1 . . . . . . . . 7181 1 78 . 1 1 10 10 TYR HE1 H 1 6.73 . . 1 . . . . . . . . 7181 1 79 . 1 1 10 10 TYR HE2 H 1 6.73 . . 1 . . . . . . . . 7181 1 80 . 1 1 10 10 TYR CD1 C 13 132.0 . . 1 . . . . . . . . 7181 1 81 . 1 1 10 10 TYR CE1 C 13 117.7 . . 1 . . . . . . . . 7181 1 82 . 1 1 11 11 ARG N N 15 121.5 . . 1 . . . . . . . . 7181 1 83 . 1 1 11 11 ARG H H 1 9.47 . . 1 . . . . . . . . 7181 1 84 . 1 1 11 11 ARG CA C 13 53.8 . . 1 . . . . . . . . 7181 1 85 . 1 1 11 11 ARG HA H 1 4.96 . . 1 . . . . . . . . 7181 1 86 . 1 1 11 11 ARG CB C 13 32.7 . . 1 . . . . . . . . 7181 1 87 . 1 1 11 11 ARG HB2 H 1 1.65 . . 2 . . . . . . . . 7181 1 88 . 1 1 11 11 ARG HB3 H 1 1.60 . . 2 . . . . . . . . 7181 1 89 . 1 1 11 11 ARG CG C 13 26.9 . . 1 . . . . . . . . 7181 1 90 . 1 1 11 11 ARG HG2 H 1 1.37 . . 2 . . . . . . . . 7181 1 91 . 1 1 11 11 ARG HG3 H 1 1.32 . . 2 . . . . . . . . 7181 1 92 . 1 1 11 11 ARG CD C 13 43.0 . . 1 . . . . . . . . 7181 1 93 . 1 1 11 11 ARG HD2 H 1 3.08 . . 1 . . . . . . . . 7181 1 94 . 1 1 11 11 ARG HD3 H 1 3.08 . . 1 . . . . . . . . 7181 1 95 . 1 1 12 12 ILE N N 15 125.4 . . 1 . . . . . . . . 7181 1 96 . 1 1 12 12 ILE H H 1 8.70 . . 1 . . . . . . . . 7181 1 97 . 1 1 12 12 ILE CA C 13 61.2 . . 1 . . . . . . . . 7181 1 98 . 1 1 12 12 ILE HA H 1 4.44 . . 1 . . . . . . . . 7181 1 99 . 1 1 12 12 ILE CB C 13 37.7 . . 1 . . . . . . . . 7181 1 100 . 1 1 12 12 ILE HB H 1 2.03 . . 1 . . . . . . . . 7181 1 101 . 1 1 12 12 ILE HG21 H 1 0.57 . . 1 . . . . . . . . 7181 1 102 . 1 1 12 12 ILE HG22 H 1 0.57 . . 1 . . . . . . . . 7181 1 103 . 1 1 12 12 ILE HG23 H 1 0.57 . . 1 . . . . . . . . 7181 1 104 . 1 1 12 12 ILE CG2 C 13 17.9 . . 1 . . . . . . . . 7181 1 105 . 1 1 12 12 ILE CG1 C 13 27.5 . . 1 . . . . . . . . 7181 1 106 . 1 1 12 12 ILE HG12 H 1 0.76 . . 2 . . . . . . . . 7181 1 107 . 1 1 12 12 ILE HG13 H 1 1.66 . . 2 . . . . . . . . 7181 1 108 . 1 1 12 12 ILE HD11 H 1 0.79 . . 1 . . . . . . . . 7181 1 109 . 1 1 12 12 ILE HD12 H 1 0.79 . . 1 . . . . . . . . 7181 1 110 . 1 1 12 12 ILE HD13 H 1 0.79 . . 1 . . . . . . . . 7181 1 111 . 1 1 12 12 ILE CD1 C 13 14.6 . . 1 . . . . . . . . 7181 1 112 . 1 1 13 13 THR N N 15 119.4 . . 1 . . . . . . . . 7181 1 113 . 1 1 13 13 THR H H 1 9.18 . . 1 . . . . . . . . 7181 1 114 . 1 1 13 13 THR CA C 13 61.0 . . 1 . . . . . . . . 7181 1 115 . 1 1 13 13 THR HA H 1 4.59 . . 1 . . . . . . . . 7181 1 116 . 1 1 13 13 THR CB C 13 68.7 . . 1 . . . . . . . . 7181 1 117 . 1 1 13 13 THR HB H 1 4.30 . . 1 . . . . . . . . 7181 1 118 . 1 1 13 13 THR HG21 H 1 1.08 . . 1 . . . . . . . . 7181 1 119 . 1 1 13 13 THR HG22 H 1 1.08 . . 1 . . . . . . . . 7181 1 120 . 1 1 13 13 THR HG23 H 1 1.08 . . 1 . . . . . . . . 7181 1 121 . 1 1 13 13 THR CG2 C 13 22.8 . . 1 . . . . . . . . 7181 1 122 . 1 1 14 14 GLY N N 15 109.3 . . 1 . . . . . . . . 7181 1 123 . 1 1 14 14 GLY H H 1 7.37 . . 1 . . . . . . . . 7181 1 124 . 1 1 14 14 GLY CA C 13 44.8 . . 1 . . . . . . . . 7181 1 125 . 1 1 14 14 GLY HA2 H 1 3.44 . . 2 . . . . . . . . 7181 1 126 . 1 1 14 14 GLY HA3 H 1 4.08 . . 2 . . . . . . . . 7181 1 127 . 1 1 15 15 TYR N N 15 115.8 . . 1 . . . . . . . . 7181 1 128 . 1 1 15 15 TYR H H 1 8.30 . . 1 . . . . . . . . 7181 1 129 . 1 1 15 15 TYR CA C 13 55.2 . . 1 . . . . . . . . 7181 1 130 . 1 1 15 15 TYR HA H 1 5.38 . . 1 . . . . . . . . 7181 1 131 . 1 1 15 15 TYR CB C 13 42.2 . . 1 . . . . . . . . 7181 1 132 . 1 1 15 15 TYR HB2 H 1 3.21 . . 2 . . . . . . . . 7181 1 133 . 1 1 15 15 TYR HB3 H 1 2.68 . . 2 . . . . . . . . 7181 1 134 . 1 1 15 15 TYR HD1 H 1 7.09 . . 1 . . . . . . . . 7181 1 135 . 1 1 15 15 TYR HD2 H 1 7.09 . . 1 . . . . . . . . 7181 1 136 . 1 1 15 15 TYR HE1 H 1 6.76 . . 1 . . . . . . . . 7181 1 137 . 1 1 15 15 TYR HE2 H 1 6.76 . . 1 . . . . . . . . 7181 1 138 . 1 1 15 15 TYR CD1 C 13 132.4 . . 1 . . . . . . . . 7181 1 139 . 1 1 15 15 TYR CE1 C 13 117.1 . . 1 . . . . . . . . 7181 1 140 . 1 1 16 16 SER N N 15 116.6 . . 1 . . . . . . . . 7181 1 141 . 1 1 16 16 SER H H 1 8.54 . . 1 . . . . . . . . 7181 1 142 . 1 1 16 16 SER CA C 13 55.6 . . 1 . . . . . . . . 7181 1 143 . 1 1 16 16 SER HA H 1 4.53 . . 1 . . . . . . . . 7181 1 144 . 1 1 16 16 SER CB C 13 64.0 . . 1 . . . . . . . . 7181 1 145 . 1 1 16 16 SER HB2 H 1 4.16 . . 2 . . . . . . . . 7181 1 146 . 1 1 16 16 SER HB3 H 1 3.69 . . 2 . . . . . . . . 7181 1 147 . 1 1 17 17 PRO CD C 13 50.2 . . 1 . . . . . . . . 7181 1 148 . 1 1 17 17 PRO CA C 13 64.2 . . 1 . . . . . . . . 7181 1 149 . 1 1 17 17 PRO HA H 1 4.48 . . 1 . . . . . . . . 7181 1 150 . 1 1 17 17 PRO CB C 13 31.7 . . 1 . . . . . . . . 7181 1 151 . 1 1 17 17 PRO HB2 H 1 2.39 . . 2 . . . . . . . . 7181 1 152 . 1 1 17 17 PRO HB3 H 1 1.98 . . 2 . . . . . . . . 7181 1 153 . 1 1 17 17 PRO CG C 13 27.1 . . 1 . . . . . . . . 7181 1 154 . 1 1 17 17 PRO HG2 H 1 2.04 . . 1 . . . . . . . . 7181 1 155 . 1 1 17 17 PRO HG3 H 1 2.04 . . 1 . . . . . . . . 7181 1 156 . 1 1 17 17 PRO HD2 H 1 3.83 . . 1 . . . . . . . . 7181 1 157 . 1 1 17 17 PRO HD3 H 1 3.83 . . 1 . . . . . . . . 7181 1 158 . 1 1 18 18 ALA N N 15 119.2 . . 1 . . . . . . . . 7181 1 159 . 1 1 18 18 ALA H H 1 7.92 . . 1 . . . . . . . . 7181 1 160 . 1 1 18 18 ALA CA C 13 51.7 . . 1 . . . . . . . . 7181 1 161 . 1 1 18 18 ALA HA H 1 4.33 . . 1 . . . . . . . . 7181 1 162 . 1 1 18 18 ALA HB1 H 1 1.29 . . 1 . . . . . . . . 7181 1 163 . 1 1 18 18 ALA HB2 H 1 1.29 . . 1 . . . . . . . . 7181 1 164 . 1 1 18 18 ALA HB3 H 1 1.29 . . 1 . . . . . . . . 7181 1 165 . 1 1 18 18 ALA CB C 13 18.8 . . 1 . . . . . . . . 7181 1 166 . 1 1 19 19 ILE N N 15 119.2 . . 1 . . . . . . . . 7181 1 167 . 1 1 19 19 ILE H H 1 7.44 . . 1 . . . . . . . . 7181 1 168 . 1 1 19 19 ILE CA C 13 62.3 . . 1 . . . . . . . . 7181 1 169 . 1 1 19 19 ILE HA H 1 4.06 . . 1 . . . . . . . . 7181 1 170 . 1 1 19 19 ILE CB C 13 39.4 . . 1 . . . . . . . . 7181 1 171 . 1 1 19 19 ILE HB H 1 1.94 . . 1 . . . . . . . . 7181 1 172 . 1 1 19 19 ILE HG21 H 1 0.88 . . 1 . . . . . . . . 7181 1 173 . 1 1 19 19 ILE HG22 H 1 0.88 . . 1 . . . . . . . . 7181 1 174 . 1 1 19 19 ILE HG23 H 1 0.88 . . 1 . . . . . . . . 7181 1 175 . 1 1 19 19 ILE CG2 C 13 16.9 . . 1 . . . . . . . . 7181 1 176 . 1 1 19 19 ILE CG1 C 13 29.2 . . 1 . . . . . . . . 7181 1 177 . 1 1 19 19 ILE HG12 H 1 1.67 . . 2 . . . . . . . . 7181 1 178 . 1 1 19 19 ILE HG13 H 1 1.83 . . 2 . . . . . . . . 7181 1 179 . 1 1 19 19 ILE HD11 H 1 0.76 . . 1 . . . . . . . . 7181 1 180 . 1 1 19 19 ILE HD12 H 1 0.76 . . 1 . . . . . . . . 7181 1 181 . 1 1 19 19 ILE HD13 H 1 0.76 . . 1 . . . . . . . . 7181 1 182 . 1 1 19 19 ILE CD1 C 13 15.4 . . 1 . . . . . . . . 7181 1 183 . 1 1 20 20 SER N N 15 121.7 . . 1 . . . . . . . . 7181 1 184 . 1 1 20 20 SER H H 1 8.20 . . 1 . . . . . . . . 7181 1 185 . 1 1 20 20 SER CA C 13 56.8 . . 1 . . . . . . . . 7181 1 186 . 1 1 20 20 SER HA H 1 4.60 . . 1 . . . . . . . . 7181 1 187 . 1 1 20 20 SER CB C 13 65.0 . . 1 . . . . . . . . 7181 1 188 . 1 1 20 20 SER HB2 H 1 4.05 . . 2 . . . . . . . . 7181 1 189 . 1 1 20 20 SER HB3 H 1 4.30 . . 2 . . . . . . . . 7181 1 190 . 1 1 22 22 GLY CA C 13 46.8 . . 1 . . . . . . . . 7181 1 191 . 1 1 22 22 GLY HA2 H 1 3.76 . . 2 . . . . . . . . 7181 1 192 . 1 1 22 22 GLY HA3 H 1 3.90 . . 2 . . . . . . . . 7181 1 193 . 1 1 23 23 TYR N N 15 124.5 . . 1 . . . . . . . . 7181 1 194 . 1 1 23 23 TYR H H 1 7.88 . . 1 . . . . . . . . 7181 1 195 . 1 1 23 23 TYR CA C 13 60.6 . . 1 . . . . . . . . 7181 1 196 . 1 1 23 23 TYR HA H 1 4.23 . . 1 . . . . . . . . 7181 1 197 . 1 1 23 23 TYR CB C 13 37.9 . . 1 . . . . . . . . 7181 1 198 . 1 1 23 23 TYR HB2 H 1 2.88 . . 2 . . . . . . . . 7181 1 199 . 1 1 23 23 TYR HB3 H 1 3.00 . . 2 . . . . . . . . 7181 1 200 . 1 1 23 23 TYR HD1 H 1 7.08 . . 1 . . . . . . . . 7181 1 201 . 1 1 23 23 TYR HD2 H 1 7.08 . . 1 . . . . . . . . 7181 1 202 . 1 1 23 23 TYR HE1 H 1 6.81 . . 1 . . . . . . . . 7181 1 203 . 1 1 23 23 TYR HE2 H 1 6.81 . . 1 . . . . . . . . 7181 1 204 . 1 1 23 23 TYR CD1 C 13 131.9 . . 1 . . . . . . . . 7181 1 205 . 1 1 23 23 TYR CE1 C 13 117.8 . . 1 . . . . . . . . 7181 1 206 . 1 1 24 24 ARG N N 15 120.0 . . 1 . . . . . . . . 7181 1 207 . 1 1 24 24 ARG H H 1 8.32 . . 1 . . . . . . . . 7181 1 208 . 1 1 24 24 ARG CA C 13 60.4 . . 1 . . . . . . . . 7181 1 209 . 1 1 24 24 ARG HA H 1 3.42 . . 1 . . . . . . . . 7181 1 210 . 1 1 24 24 ARG CB C 13 29.6 . . 1 . . . . . . . . 7181 1 211 . 1 1 24 24 ARG HB2 H 1 1.77 . . 2 . . . . . . . . 7181 1 212 . 1 1 24 24 ARG HB3 H 1 1.52 . . 2 . . . . . . . . 7181 1 213 . 1 1 24 24 ARG CG C 13 27.0 . . 1 . . . . . . . . 7181 1 214 . 1 1 24 24 ARG HG2 H 1 0.97 . . 2 . . . . . . . . 7181 1 215 . 1 1 24 24 ARG HG3 H 1 0.72 . . 2 . . . . . . . . 7181 1 216 . 1 1 24 24 ARG CD C 13 43.1 . . 1 . . . . . . . . 7181 1 217 . 1 1 24 24 ARG HD2 H 1 2.94 . . 2 . . . . . . . . 7181 1 218 . 1 1 24 24 ARG HD3 H 1 2.97 . . 2 . . . . . . . . 7181 1 219 . 1 1 25 25 GLN N N 15 116.0 . . 1 . . . . . . . . 7181 1 220 . 1 1 25 25 GLN H H 1 7.84 . . 1 . . . . . . . . 7181 1 221 . 1 1 25 25 GLN CA C 13 58.5 . . 1 . . . . . . . . 7181 1 222 . 1 1 25 25 GLN HA H 1 3.93 . . 1 . . . . . . . . 7181 1 223 . 1 1 25 25 GLN CB C 13 27.7 . . 1 . . . . . . . . 7181 1 224 . 1 1 25 25 GLN HB2 H 1 2.10 . . 2 . . . . . . . . 7181 1 225 . 1 1 25 25 GLN HB3 H 1 2.08 . . 2 . . . . . . . . 7181 1 226 . 1 1 25 25 GLN CG C 13 33.5 . . 1 . . . . . . . . 7181 1 227 . 1 1 25 25 GLN HG2 H 1 2.39 . . 2 . . . . . . . . 7181 1 228 . 1 1 25 25 GLN HG3 H 1 2.43 . . 2 . . . . . . . . 7181 1 229 . 1 1 25 25 GLN NE2 N 15 111.6 . . 1 . . . . . . . . 7181 1 230 . 1 1 25 25 GLN HE21 H 1 7.36 . . 2 . . . . . . . . 7181 1 231 . 1 1 25 25 GLN HE22 H 1 6.76 . . 2 . . . . . . . . 7181 1 232 . 1 1 26 26 ARG N N 15 121.1 . . 1 . . . . . . . . 7181 1 233 . 1 1 26 26 ARG H H 1 7.57 . . 1 . . . . . . . . 7181 1 234 . 1 1 26 26 ARG CA C 13 59.2 . . 1 . . . . . . . . 7181 1 235 . 1 1 26 26 ARG HA H 1 4.01 . . 1 . . . . . . . . 7181 1 236 . 1 1 26 26 ARG CB C 13 29.3 . . 1 . . . . . . . . 7181 1 237 . 1 1 26 26 ARG HB2 H 1 1.83 . . 2 . . . . . . . . 7181 1 238 . 1 1 26 26 ARG HB3 H 1 1.79 . . 2 . . . . . . . . 7181 1 239 . 1 1 26 26 ARG CG C 13 27.3 . . 1 . . . . . . . . 7181 1 240 . 1 1 26 26 ARG HG2 H 1 1.65 . . 1 . . . . . . . . 7181 1 241 . 1 1 26 26 ARG HG3 H 1 1.65 . . 1 . . . . . . . . 7181 1 242 . 1 1 26 26 ARG CD C 13 43.1 . . 1 . . . . . . . . 7181 1 243 . 1 1 26 26 ARG HD2 H 1 3.03 . . 1 . . . . . . . . 7181 1 244 . 1 1 26 26 ARG HD3 H 1 3.03 . . 1 . . . . . . . . 7181 1 245 . 1 1 27 27 LEU N N 15 119.6 . . 1 . . . . . . . . 7181 1 246 . 1 1 27 27 LEU H H 1 8.15 . . 1 . . . . . . . . 7181 1 247 . 1 1 27 27 LEU CA C 13 58.4 . . 1 . . . . . . . . 7181 1 248 . 1 1 27 27 LEU HA H 1 4.11 . . 1 . . . . . . . . 7181 1 249 . 1 1 27 27 LEU CB C 13 40.3 . . 1 . . . . . . . . 7181 1 250 . 1 1 27 27 LEU HB2 H 1 2.01 . . 2 . . . . . . . . 7181 1 251 . 1 1 27 27 LEU HB3 H 1 1.75 . . 2 . . . . . . . . 7181 1 252 . 1 1 27 27 LEU CG C 13 26.8 . . 1 . . . . . . . . 7181 1 253 . 1 1 27 27 LEU HG H 1 1.84 . . 1 . . . . . . . . 7181 1 254 . 1 1 27 27 LEU HD11 H 1 0.89 . . 2 . . . . . . . . 7181 1 255 . 1 1 27 27 LEU HD12 H 1 0.89 . . 2 . . . . . . . . 7181 1 256 . 1 1 27 27 LEU HD13 H 1 0.89 . . 2 . . . . . . . . 7181 1 257 . 1 1 27 27 LEU HD21 H 1 0.86 . . 2 . . . . . . . . 7181 1 258 . 1 1 27 27 LEU HD22 H 1 0.86 . . 2 . . . . . . . . 7181 1 259 . 1 1 27 27 LEU HD23 H 1 0.86 . . 2 . . . . . . . . 7181 1 260 . 1 1 27 27 LEU CD1 C 13 26.8 . . 1 . . . . . . . . 7181 1 261 . 1 1 27 27 LEU CD2 C 13 22.3 . . 1 . . . . . . . . 7181 1 262 . 1 1 28 28 PHE N N 15 121.4 . . 1 . . . . . . . . 7181 1 263 . 1 1 28 28 PHE H H 1 8.88 . . 1 . . . . . . . . 7181 1 264 . 1 1 28 28 PHE CA C 13 60.9 . . 1 . . . . . . . . 7181 1 265 . 1 1 28 28 PHE HA H 1 3.94 . . 1 . . . . . . . . 7181 1 266 . 1 1 28 28 PHE CB C 13 38.6 . . 1 . . . . . . . . 7181 1 267 . 1 1 28 28 PHE HB2 H 1 3.37 . . 2 . . . . . . . . 7181 1 268 . 1 1 28 28 PHE HB3 H 1 3.22 . . 2 . . . . . . . . 7181 1 269 . 1 1 28 28 PHE HD1 H 1 7.22 . . 1 . . . . . . . . 7181 1 270 . 1 1 28 28 PHE HD2 H 1 7.22 . . 1 . . . . . . . . 7181 1 271 . 1 1 28 28 PHE HE1 H 1 7.34 . . 1 . . . . . . . . 7181 1 272 . 1 1 28 28 PHE HE2 H 1 7.34 . . 1 . . . . . . . . 7181 1 273 . 1 1 28 28 PHE CD1 C 13 131.0 . . 1 . . . . . . . . 7181 1 274 . 1 1 28 28 PHE CE1 C 13 130.8 . . 1 . . . . . . . . 7181 1 275 . 1 1 28 28 PHE CZ C 13 128.9 . . 1 . . . . . . . . 7181 1 276 . 1 1 28 28 PHE HZ H 1 7.26 . . 1 . . . . . . . . 7181 1 277 . 1 1 29 29 SER N N 15 116.5 . . 1 . . . . . . . . 7181 1 278 . 1 1 29 29 SER H H 1 8.43 . . 1 . . . . . . . . 7181 1 279 . 1 1 29 29 SER CA C 13 61.5 . . 1 . . . . . . . . 7181 1 280 . 1 1 29 29 SER HA H 1 4.21 . . 1 . . . . . . . . 7181 1 281 . 1 1 29 29 SER CB C 13 63.0 . . 1 . . . . . . . . 7181 1 282 . 1 1 29 29 SER HB2 H 1 4.10 . . 2 . . . . . . . . 7181 1 283 . 1 1 29 29 SER HB3 H 1 4.06 . . 2 . . . . . . . . 7181 1 284 . 1 1 30 30 MET N N 15 119.2 . . 1 . . . . . . . . 7181 1 285 . 1 1 30 30 MET H H 1 7.43 . . 1 . . . . . . . . 7181 1 286 . 1 1 30 30 MET CA C 13 56.2 . . 1 . . . . . . . . 7181 1 287 . 1 1 30 30 MET HA H 1 4.36 . . 1 . . . . . . . . 7181 1 288 . 1 1 30 30 MET CB C 13 34.6 . . 1 . . . . . . . . 7181 1 289 . 1 1 30 30 MET HB2 H 1 2.30 . . 2 . . . . . . . . 7181 1 290 . 1 1 30 30 MET HB3 H 1 2.11 . . 2 . . . . . . . . 7181 1 291 . 1 1 30 30 MET CG C 13 31.9 . . 1 . . . . . . . . 7181 1 292 . 1 1 30 30 MET HG2 H 1 2.71 . . 2 . . . . . . . . 7181 1 293 . 1 1 30 30 MET HG3 H 1 2.55 . . 2 . . . . . . . . 7181 1 294 . 1 1 30 30 MET HE1 H 1 2.00 . . 1 . . . . . . . . 7181 1 295 . 1 1 30 30 MET HE2 H 1 2.00 . . 1 . . . . . . . . 7181 1 296 . 1 1 30 30 MET HE3 H 1 2.00 . . 1 . . . . . . . . 7181 1 297 . 1 1 30 30 MET CE C 13 17.0 . . 1 . . . . . . . . 7181 1 298 . 1 1 31 31 GLY N N 15 104.9 . . 1 . . . . . . . . 7181 1 299 . 1 1 31 31 GLY H H 1 7.87 . . 1 . . . . . . . . 7181 1 300 . 1 1 31 31 GLY CA C 13 44.7 . . 1 . . . . . . . . 7181 1 301 . 1 1 31 31 GLY HA2 H 1 3.41 . . 2 . . . . . . . . 7181 1 302 . 1 1 31 31 GLY HA3 H 1 4.18 . . 2 . . . . . . . . 7181 1 303 . 1 1 32 32 LEU N N 15 122.7 . . 1 . . . . . . . . 7181 1 304 . 1 1 32 32 LEU H H 1 7.85 . . 1 . . . . . . . . 7181 1 305 . 1 1 32 32 LEU CA C 13 52.9 . . 1 . . . . . . . . 7181 1 306 . 1 1 32 32 LEU HA H 1 4.28 . . 1 . . . . . . . . 7181 1 307 . 1 1 32 32 LEU CB C 13 38.4 . . 1 . . . . . . . . 7181 1 308 . 1 1 32 32 LEU HB2 H 1 1.99 . . 2 . . . . . . . . 7181 1 309 . 1 1 32 32 LEU HB3 H 1 1.19 . . 2 . . . . . . . . 7181 1 310 . 1 1 32 32 LEU CG C 13 26.8 . . 1 . . . . . . . . 7181 1 311 . 1 1 32 32 LEU HG H 1 1.42 . . 1 . . . . . . . . 7181 1 312 . 1 1 32 32 LEU HD11 H 1 0.79 . . 2 . . . . . . . . 7181 1 313 . 1 1 32 32 LEU HD12 H 1 0.79 . . 2 . . . . . . . . 7181 1 314 . 1 1 32 32 LEU HD13 H 1 0.79 . . 2 . . . . . . . . 7181 1 315 . 1 1 32 32 LEU HD21 H 1 0.63 . . 2 . . . . . . . . 7181 1 316 . 1 1 32 32 LEU HD22 H 1 0.63 . . 2 . . . . . . . . 7181 1 317 . 1 1 32 32 LEU HD23 H 1 0.63 . . 2 . . . . . . . . 7181 1 318 . 1 1 32 32 LEU CD1 C 13 24.0 . . 1 . . . . . . . . 7181 1 319 . 1 1 32 32 LEU CD2 C 13 23.6 . . 1 . . . . . . . . 7181 1 320 . 1 1 33 33 LEU N N 15 122.0 . . 1 . . . . . . . . 7181 1 321 . 1 1 33 33 LEU H H 1 6.79 . . 1 . . . . . . . . 7181 1 322 . 1 1 33 33 LEU CA C 13 52.3 . . 1 . . . . . . . . 7181 1 323 . 1 1 33 33 LEU HA H 1 4.67 . . 1 . . . . . . . . 7181 1 324 . 1 1 33 33 LEU CB C 13 42.6 . . 1 . . . . . . . . 7181 1 325 . 1 1 33 33 LEU HB2 H 1 1.41 . . 2 . . . . . . . . 7181 1 326 . 1 1 33 33 LEU HB3 H 1 1.35 . . 2 . . . . . . . . 7181 1 327 . 1 1 33 33 LEU CG C 13 26.8 . . 1 . . . . . . . . 7181 1 328 . 1 1 33 33 LEU HG H 1 1.60 . . 1 . . . . . . . . 7181 1 329 . 1 1 33 33 LEU HD11 H 1 0.54 . . 2 . . . . . . . . 7181 1 330 . 1 1 33 33 LEU HD12 H 1 0.54 . . 2 . . . . . . . . 7181 1 331 . 1 1 33 33 LEU HD13 H 1 0.54 . . 2 . . . . . . . . 7181 1 332 . 1 1 33 33 LEU HD21 H 1 0.83 . . 2 . . . . . . . . 7181 1 333 . 1 1 33 33 LEU HD22 H 1 0.83 . . 2 . . . . . . . . 7181 1 334 . 1 1 33 33 LEU HD23 H 1 0.83 . . 2 . . . . . . . . 7181 1 335 . 1 1 33 33 LEU CD1 C 13 25.5 . . 1 . . . . . . . . 7181 1 336 . 1 1 33 33 LEU CD2 C 13 24.4 . . 1 . . . . . . . . 7181 1 337 . 1 1 34 34 PRO CD C 13 50.1 . . 1 . . . . . . . . 7181 1 338 . 1 1 34 34 PRO CA C 13 63.8 . . 1 . . . . . . . . 7181 1 339 . 1 1 34 34 PRO HA H 1 3.77 . . 1 . . . . . . . . 7181 1 340 . 1 1 34 34 PRO CB C 13 30.9 . . 1 . . . . . . . . 7181 1 341 . 1 1 34 34 PRO HB2 H 1 1.83 . . 2 . . . . . . . . 7181 1 342 . 1 1 34 34 PRO HB3 H 1 1.94 . . 2 . . . . . . . . 7181 1 343 . 1 1 34 34 PRO CG C 13 28.6 . . 1 . . . . . . . . 7181 1 344 . 1 1 34 34 PRO HG2 H 1 1.31 . . 2 . . . . . . . . 7181 1 345 . 1 1 34 34 PRO HG3 H 1 2.21 . . 2 . . . . . . . . 7181 1 346 . 1 1 34 34 PRO HD2 H 1 3.46 . . 2 . . . . . . . . 7181 1 347 . 1 1 34 34 PRO HD3 H 1 3.50 . . 2 . . . . . . . . 7181 1 348 . 1 1 35 35 GLY N N 15 113.9 . . 1 . . . . . . . . 7181 1 349 . 1 1 35 35 GLY H H 1 9.21 . . 1 . . . . . . . . 7181 1 350 . 1 1 35 35 GLY CA C 13 44.7 . . 1 . . . . . . . . 7181 1 351 . 1 1 35 35 GLY HA2 H 1 3.51 . . 2 . . . . . . . . 7181 1 352 . 1 1 35 35 GLY HA3 H 1 4.40 . . 2 . . . . . . . . 7181 1 353 . 1 1 36 36 ALA N N 15 124.3 . . 1 . . . . . . . . 7181 1 354 . 1 1 36 36 ALA H H 1 8.20 . . 1 . . . . . . . . 7181 1 355 . 1 1 36 36 ALA CA C 13 52.1 . . 1 . . . . . . . . 7181 1 356 . 1 1 36 36 ALA HA H 1 4.48 . . 1 . . . . . . . . 7181 1 357 . 1 1 36 36 ALA HB1 H 1 1.58 . . 1 . . . . . . . . 7181 1 358 . 1 1 36 36 ALA HB2 H 1 1.58 . . 1 . . . . . . . . 7181 1 359 . 1 1 36 36 ALA HB3 H 1 1.58 . . 1 . . . . . . . . 7181 1 360 . 1 1 36 36 ALA CB C 13 20.0 . . 1 . . . . . . . . 7181 1 361 . 1 1 37 37 ALA N N 15 121.6 . . 1 . . . . . . . . 7181 1 362 . 1 1 37 37 ALA H H 1 8.26 . . 1 . . . . . . . . 7181 1 363 . 1 1 37 37 ALA CA C 13 50.3 . . 1 . . . . . . . . 7181 1 364 . 1 1 37 37 ALA HA H 1 5.34 . . 1 . . . . . . . . 7181 1 365 . 1 1 37 37 ALA HB1 H 1 1.33 . . 1 . . . . . . . . 7181 1 366 . 1 1 37 37 ALA HB2 H 1 1.33 . . 1 . . . . . . . . 7181 1 367 . 1 1 37 37 ALA HB3 H 1 1.33 . . 1 . . . . . . . . 7181 1 368 . 1 1 37 37 ALA CB C 13 21.1 . . 1 . . . . . . . . 7181 1 369 . 1 1 38 38 LEU N N 15 119.9 . . 1 . . . . . . . . 7181 1 370 . 1 1 38 38 LEU H H 1 9.39 . . 1 . . . . . . . . 7181 1 371 . 1 1 38 38 LEU CA C 13 53.4 . . 1 . . . . . . . . 7181 1 372 . 1 1 38 38 LEU HA H 1 5.01 . . 1 . . . . . . . . 7181 1 373 . 1 1 38 38 LEU CB C 13 45.5 . . 1 . . . . . . . . 7181 1 374 . 1 1 38 38 LEU HB2 H 1 1.49 . . 2 . . . . . . . . 7181 1 375 . 1 1 38 38 LEU HB3 H 1 1.41 . . 2 . . . . . . . . 7181 1 376 . 1 1 38 38 LEU CG C 13 26.4 . . 1 . . . . . . . . 7181 1 377 . 1 1 38 38 LEU HG H 1 1.61 . . 1 . . . . . . . . 7181 1 378 . 1 1 38 38 LEU HD11 H 1 0.79 . . 2 . . . . . . . . 7181 1 379 . 1 1 38 38 LEU HD12 H 1 0.79 . . 2 . . . . . . . . 7181 1 380 . 1 1 38 38 LEU HD13 H 1 0.79 . . 2 . . . . . . . . 7181 1 381 . 1 1 38 38 LEU HD21 H 1 0.63 . . 2 . . . . . . . . 7181 1 382 . 1 1 38 38 LEU HD22 H 1 0.63 . . 2 . . . . . . . . 7181 1 383 . 1 1 38 38 LEU HD23 H 1 0.63 . . 2 . . . . . . . . 7181 1 384 . 1 1 38 38 LEU CD1 C 13 26.6 . . 1 . . . . . . . . 7181 1 385 . 1 1 38 38 LEU CD2 C 13 26.2 . . 1 . . . . . . . . 7181 1 386 . 1 1 39 39 ARG N N 15 123.9 . . 1 . . . . . . . . 7181 1 387 . 1 1 39 39 ARG H H 1 9.03 . . 1 . . . . . . . . 7181 1 388 . 1 1 39 39 ARG CA C 13 54.3 . . 1 . . . . . . . . 7181 1 389 . 1 1 39 39 ARG HA H 1 5.19 . . 1 . . . . . . . . 7181 1 390 . 1 1 39 39 ARG CB C 13 33.3 . . 1 . . . . . . . . 7181 1 391 . 1 1 39 39 ARG HB2 H 1 1.83 . . 2 . . . . . . . . 7181 1 392 . 1 1 39 39 ARG HB3 H 1 1.66 . . 2 . . . . . . . . 7181 1 393 . 1 1 39 39 ARG CG C 13 27.3 . . 1 . . . . . . . . 7181 1 394 . 1 1 39 39 ARG HG2 H 1 1.32 . . 2 . . . . . . . . 7181 1 395 . 1 1 39 39 ARG HG3 H 1 1.19 . . 2 . . . . . . . . 7181 1 396 . 1 1 39 39 ARG CD C 13 43.1 . . 1 . . . . . . . . 7181 1 397 . 1 1 39 39 ARG HD2 H 1 3.03 . . 2 . . . . . . . . 7181 1 398 . 1 1 39 39 ARG HD3 H 1 3.07 . . 2 . . . . . . . . 7181 1 399 . 1 1 40 40 VAL N N 15 127.0 . . 1 . . . . . . . . 7181 1 400 . 1 1 40 40 VAL H H 1 8.79 . . 1 . . . . . . . . 7181 1 401 . 1 1 40 40 VAL CA C 13 63.3 . . 1 . . . . . . . . 7181 1 402 . 1 1 40 40 VAL HA H 1 4.03 . . 1 . . . . . . . . 7181 1 403 . 1 1 40 40 VAL CB C 13 31.0 . . 1 . . . . . . . . 7181 1 404 . 1 1 40 40 VAL HB H 1 2.55 . . 1 . . . . . . . . 7181 1 405 . 1 1 40 40 VAL HG11 H 1 0.88 . . 2 . . . . . . . . 7181 1 406 . 1 1 40 40 VAL HG12 H 1 0.88 . . 2 . . . . . . . . 7181 1 407 . 1 1 40 40 VAL HG13 H 1 0.88 . . 2 . . . . . . . . 7181 1 408 . 1 1 40 40 VAL HG21 H 1 0.61 . . 2 . . . . . . . . 7181 1 409 . 1 1 40 40 VAL HG22 H 1 0.61 . . 2 . . . . . . . . 7181 1 410 . 1 1 40 40 VAL HG23 H 1 0.61 . . 2 . . . . . . . . 7181 1 411 . 1 1 40 40 VAL CG1 C 13 21.8 . . 1 . . . . . . . . 7181 1 412 . 1 1 40 40 VAL CG2 C 13 21.3 . . 1 . . . . . . . . 7181 1 413 . 1 1 41 41 VAL N N 15 128.9 . . 1 . . . . . . . . 7181 1 414 . 1 1 41 41 VAL H H 1 9.19 . . 1 . . . . . . . . 7181 1 415 . 1 1 41 41 VAL CA C 13 64.0 . . 1 . . . . . . . . 7181 1 416 . 1 1 41 41 VAL HA H 1 4.07 . . 1 . . . . . . . . 7181 1 417 . 1 1 41 41 VAL CB C 13 33.0 . . 1 . . . . . . . . 7181 1 418 . 1 1 41 41 VAL HB H 1 1.74 . . 1 . . . . . . . . 7181 1 419 . 1 1 41 41 VAL HG11 H 1 0.88 . . 2 . . . . . . . . 7181 1 420 . 1 1 41 41 VAL HG12 H 1 0.88 . . 2 . . . . . . . . 7181 1 421 . 1 1 41 41 VAL HG13 H 1 0.88 . . 2 . . . . . . . . 7181 1 422 . 1 1 41 41 VAL HG21 H 1 0.85 . . 2 . . . . . . . . 7181 1 423 . 1 1 41 41 VAL HG22 H 1 0.85 . . 2 . . . . . . . . 7181 1 424 . 1 1 41 41 VAL HG23 H 1 0.85 . . 2 . . . . . . . . 7181 1 425 . 1 1 41 41 VAL CG1 C 13 20.9 . . 1 . . . . . . . . 7181 1 426 . 1 1 41 41 VAL CG2 C 13 20.9 . . 1 . . . . . . . . 7181 1 427 . 1 1 42 42 ARG N N 15 115.5 . . 1 . . . . . . . . 7181 1 428 . 1 1 42 42 ARG H H 1 7.65 . . 1 . . . . . . . . 7181 1 429 . 1 1 42 42 ARG CA C 13 55.7 . . 1 . . . . . . . . 7181 1 430 . 1 1 42 42 ARG HA H 1 4.50 . . 1 . . . . . . . . 7181 1 431 . 1 1 42 42 ARG CB C 13 33.3 . . 1 . . . . . . . . 7181 1 432 . 1 1 42 42 ARG HB2 H 1 1.78 . . 1 . . . . . . . . 7181 1 433 . 1 1 42 42 ARG HB3 H 1 1.78 . . 1 . . . . . . . . 7181 1 434 . 1 1 42 42 ARG CG C 13 27.1 . . 1 . . . . . . . . 7181 1 435 . 1 1 42 42 ARG HG2 H 1 1.36 . . 2 . . . . . . . . 7181 1 436 . 1 1 42 42 ARG HG3 H 1 1.51 . . 2 . . . . . . . . 7181 1 437 . 1 1 42 42 ARG CD C 13 42.9 . . 1 . . . . . . . . 7181 1 438 . 1 1 42 42 ARG HD2 H 1 3.13 . . 1 . . . . . . . . 7181 1 439 . 1 1 42 42 ARG HD3 H 1 3.13 . . 1 . . . . . . . . 7181 1 440 . 1 1 43 43 ILE N N 15 124.2 . . 1 . . . . . . . . 7181 1 441 . 1 1 43 43 ILE H H 1 8.89 . . 1 . . . . . . . . 7181 1 442 . 1 1 43 43 ILE CA C 13 61.1 . . 1 . . . . . . . . 7181 1 443 . 1 1 43 43 ILE HA H 1 4.21 . . 1 . . . . . . . . 7181 1 444 . 1 1 43 43 ILE CB C 13 39.9 . . 1 . . . . . . . . 7181 1 445 . 1 1 43 43 ILE HB H 1 1.62 . . 1 . . . . . . . . 7181 1 446 . 1 1 43 43 ILE HG21 H 1 0.95 . . 1 . . . . . . . . 7181 1 447 . 1 1 43 43 ILE HG22 H 1 0.95 . . 1 . . . . . . . . 7181 1 448 . 1 1 43 43 ILE HG23 H 1 0.95 . . 1 . . . . . . . . 7181 1 449 . 1 1 43 43 ILE CG2 C 13 16.8 . . 1 . . . . . . . . 7181 1 450 . 1 1 43 43 ILE CG1 C 13 27.9 . . 1 . . . . . . . . 7181 1 451 . 1 1 43 43 ILE HG12 H 1 0.86 . . 2 . . . . . . . . 7181 1 452 . 1 1 43 43 ILE HG13 H 1 1.29 . . 2 . . . . . . . . 7181 1 453 . 1 1 43 43 ILE HD11 H 1 0.72 . . 1 . . . . . . . . 7181 1 454 . 1 1 43 43 ILE HD12 H 1 0.72 . . 1 . . . . . . . . 7181 1 455 . 1 1 43 43 ILE HD13 H 1 0.72 . . 1 . . . . . . . . 7181 1 456 . 1 1 43 43 ILE CD1 C 13 13.4 . . 1 . . . . . . . . 7181 1 457 . 1 1 44 44 ALA N N 15 129.9 . . 1 . . . . . . . . 7181 1 458 . 1 1 44 44 ALA H H 1 7.61 . . 1 . . . . . . . . 7181 1 459 . 1 1 44 44 ALA CA C 13 51.8 . . 1 . . . . . . . . 7181 1 460 . 1 1 44 44 ALA HA H 1 4.44 . . 1 . . . . . . . . 7181 1 461 . 1 1 44 44 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 7181 1 462 . 1 1 44 44 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 7181 1 463 . 1 1 44 44 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 7181 1 464 . 1 1 44 44 ALA CB C 13 17.4 . . 1 . . . . . . . . 7181 1 465 . 1 1 45 45 PRO CD C 13 50.0 . . 1 . . . . . . . . 7181 1 466 . 1 1 45 45 PRO CA C 13 65.7 . . 1 . . . . . . . . 7181 1 467 . 1 1 45 45 PRO HA H 1 4.26 . . 1 . . . . . . . . 7181 1 468 . 1 1 45 45 PRO CB C 13 31.9 . . 1 . . . . . . . . 7181 1 469 . 1 1 45 45 PRO HB2 H 1 1.88 . . 2 . . . . . . . . 7181 1 470 . 1 1 45 45 PRO HB3 H 1 2.38 . . 2 . . . . . . . . 7181 1 471 . 1 1 45 45 PRO CG C 13 27.6 . . 1 . . . . . . . . 7181 1 472 . 1 1 45 45 PRO HG2 H 1 2.05 . . 2 . . . . . . . . 7181 1 473 . 1 1 45 45 PRO HG3 H 1 2.19 . . 2 . . . . . . . . 7181 1 474 . 1 1 45 45 PRO HD2 H 1 3.83 . . 1 . . . . . . . . 7181 1 475 . 1 1 45 45 PRO HD3 H 1 3.83 . . 1 . . . . . . . . 7181 1 476 . 1 1 46 46 LEU N N 15 114.6 . . 1 . . . . . . . . 7181 1 477 . 1 1 46 46 LEU H H 1 8.30 . . 1 . . . . . . . . 7181 1 478 . 1 1 46 46 LEU CA C 13 55.2 . . 1 . . . . . . . . 7181 1 479 . 1 1 46 46 LEU HA H 1 4.33 . . 1 . . . . . . . . 7181 1 480 . 1 1 46 46 LEU CB C 13 40.9 . . 1 . . . . . . . . 7181 1 481 . 1 1 46 46 LEU HB2 H 1 1.89 . . 2 . . . . . . . . 7181 1 482 . 1 1 46 46 LEU HB3 H 1 1.74 . . 2 . . . . . . . . 7181 1 483 . 1 1 46 46 LEU CG C 13 27.3 . . 1 . . . . . . . . 7181 1 484 . 1 1 46 46 LEU HG H 1 1.67 . . 1 . . . . . . . . 7181 1 485 . 1 1 46 46 LEU HD11 H 1 0.87 . . 2 . . . . . . . . 7181 1 486 . 1 1 46 46 LEU HD12 H 1 0.87 . . 2 . . . . . . . . 7181 1 487 . 1 1 46 46 LEU HD13 H 1 0.87 . . 2 . . . . . . . . 7181 1 488 . 1 1 46 46 LEU HD21 H 1 0.94 . . 2 . . . . . . . . 7181 1 489 . 1 1 46 46 LEU HD22 H 1 0.94 . . 2 . . . . . . . . 7181 1 490 . 1 1 46 46 LEU HD23 H 1 0.94 . . 2 . . . . . . . . 7181 1 491 . 1 1 46 46 LEU CD1 C 13 22.9 . . 1 . . . . . . . . 7181 1 492 . 1 1 46 46 LEU CD2 C 13 24.9 . . 1 . . . . . . . . 7181 1 493 . 1 1 47 47 GLY N N 15 107.5 . . 1 . . . . . . . . 7181 1 494 . 1 1 47 47 GLY H H 1 8.47 . . 1 . . . . . . . . 7181 1 495 . 1 1 47 47 GLY CA C 13 45.1 . . 1 . . . . . . . . 7181 1 496 . 1 1 47 47 GLY HA2 H 1 3.40 . . 2 . . . . . . . . 7181 1 497 . 1 1 47 47 GLY HA3 H 1 4.21 . . 2 . . . . . . . . 7181 1 498 . 1 1 48 48 ASP N N 15 117.5 . . 1 . . . . . . . . 7181 1 499 . 1 1 48 48 ASP H H 1 6.86 . . 1 . . . . . . . . 7181 1 500 . 1 1 48 48 ASP CA C 13 51.4 . . 1 . . . . . . . . 7181 1 501 . 1 1 48 48 ASP HA H 1 4.78 . . 1 . . . . . . . . 7181 1 502 . 1 1 48 48 ASP CB C 13 45.0 . . 1 . . . . . . . . 7181 1 503 . 1 1 48 48 ASP HB2 H 1 2.57 . . 2 . . . . . . . . 7181 1 504 . 1 1 48 48 ASP HB3 H 1 2.51 . . 2 . . . . . . . . 7181 1 505 . 1 1 49 49 PRO CD C 13 50.2 . . 1 . . . . . . . . 7181 1 506 . 1 1 49 49 PRO CA C 13 63.4 . . 1 . . . . . . . . 7181 1 507 . 1 1 49 49 PRO HA H 1 5.54 . . 1 . . . . . . . . 7181 1 508 . 1 1 49 49 PRO CB C 13 35.4 . . 1 . . . . . . . . 7181 1 509 . 1 1 49 49 PRO HB2 H 1 1.90 . . 2 . . . . . . . . 7181 1 510 . 1 1 49 49 PRO HB3 H 1 2.08 . . 2 . . . . . . . . 7181 1 511 . 1 1 49 49 PRO CG C 13 24.3 . . 1 . . . . . . . . 7181 1 512 . 1 1 49 49 PRO HG2 H 1 1.67 . . 2 . . . . . . . . 7181 1 513 . 1 1 49 49 PRO HG3 H 1 1.91 . . 2 . . . . . . . . 7181 1 514 . 1 1 49 49 PRO HD2 H 1 3.42 . . 2 . . . . . . . . 7181 1 515 . 1 1 49 49 PRO HD3 H 1 3.46 . . 2 . . . . . . . . 7181 1 516 . 1 1 50 50 ILE N N 15 119.2 . . 1 . . . . . . . . 7181 1 517 . 1 1 50 50 ILE H H 1 9.10 . . 1 . . . . . . . . 7181 1 518 . 1 1 50 50 ILE CA C 13 61.1 . . 1 . . . . . . . . 7181 1 519 . 1 1 50 50 ILE HA H 1 4.45 . . 1 . . . . . . . . 7181 1 520 . 1 1 50 50 ILE CB C 13 40.5 . . 1 . . . . . . . . 7181 1 521 . 1 1 50 50 ILE HB H 1 1.66 . . 1 . . . . . . . . 7181 1 522 . 1 1 50 50 ILE HG21 H 1 0.74 . . 1 . . . . . . . . 7181 1 523 . 1 1 50 50 ILE HG22 H 1 0.74 . . 1 . . . . . . . . 7181 1 524 . 1 1 50 50 ILE HG23 H 1 0.74 . . 1 . . . . . . . . 7181 1 525 . 1 1 50 50 ILE CG2 C 13 19.1 . . 1 . . . . . . . . 7181 1 526 . 1 1 50 50 ILE CG1 C 13 29.0 . . 1 . . . . . . . . 7181 1 527 . 1 1 50 50 ILE HG12 H 1 1.52 . . 2 . . . . . . . . 7181 1 528 . 1 1 50 50 ILE HG13 H 1 1.07 . . 2 . . . . . . . . 7181 1 529 . 1 1 50 50 ILE HD11 H 1 0.81 . . 1 . . . . . . . . 7181 1 530 . 1 1 50 50 ILE HD12 H 1 0.81 . . 1 . . . . . . . . 7181 1 531 . 1 1 50 50 ILE HD13 H 1 0.81 . . 1 . . . . . . . . 7181 1 532 . 1 1 50 50 ILE CD1 C 13 14.9 . . 1 . . . . . . . . 7181 1 533 . 1 1 51 51 GLN N N 15 127.6 . . 1 . . . . . . . . 7181 1 534 . 1 1 51 51 GLN H H 1 8.96 . . 1 . . . . . . . . 7181 1 535 . 1 1 51 51 GLN CA C 13 55.0 . . 1 . . . . . . . . 7181 1 536 . 1 1 51 51 GLN HA H 1 5.03 . . 1 . . . . . . . . 7181 1 537 . 1 1 51 51 GLN CB C 13 28.9 . . 1 . . . . . . . . 7181 1 538 . 1 1 51 51 GLN HB2 H 1 2.05 . . 2 . . . . . . . . 7181 1 539 . 1 1 51 51 GLN HB3 H 1 2.01 . . 2 . . . . . . . . 7181 1 540 . 1 1 51 51 GLN CG C 13 32.6 . . 1 . . . . . . . . 7181 1 541 . 1 1 51 51 GLN HG2 H 1 2.20 . . 2 . . . . . . . . 7181 1 542 . 1 1 51 51 GLN HG3 H 1 2.26 . . 2 . . . . . . . . 7181 1 543 . 1 1 51 51 GLN NE2 N 15 109.9 . . 1 . . . . . . . . 7181 1 544 . 1 1 51 51 GLN HE21 H 1 6.73 . . 2 . . . . . . . . 7181 1 545 . 1 1 51 51 GLN HE22 H 1 7.37 . . 2 . . . . . . . . 7181 1 546 . 1 1 52 52 VAL N N 15 120.8 . . 1 . . . . . . . . 7181 1 547 . 1 1 52 52 VAL H H 1 9.41 . . 1 . . . . . . . . 7181 1 548 . 1 1 52 52 VAL CA C 13 58.5 . . 1 . . . . . . . . 7181 1 549 . 1 1 52 52 VAL HA H 1 5.55 . . 1 . . . . . . . . 7181 1 550 . 1 1 52 52 VAL CB C 13 35.5 . . 1 . . . . . . . . 7181 1 551 . 1 1 52 52 VAL HB H 1 2.08 . . 1 . . . . . . . . 7181 1 552 . 1 1 52 52 VAL HG11 H 1 0.86 . . 2 . . . . . . . . 7181 1 553 . 1 1 52 52 VAL HG12 H 1 0.86 . . 2 . . . . . . . . 7181 1 554 . 1 1 52 52 VAL HG13 H 1 0.86 . . 2 . . . . . . . . 7181 1 555 . 1 1 52 52 VAL HG21 H 1 0.84 . . 2 . . . . . . . . 7181 1 556 . 1 1 52 52 VAL HG22 H 1 0.84 . . 2 . . . . . . . . 7181 1 557 . 1 1 52 52 VAL HG23 H 1 0.84 . . 2 . . . . . . . . 7181 1 558 . 1 1 52 52 VAL CG1 C 13 22.2 . . 1 . . . . . . . . 7181 1 559 . 1 1 52 52 VAL CG2 C 13 19.5 . . 1 . . . . . . . . 7181 1 560 . 1 1 53 53 GLU N N 15 120.6 . . 1 . . . . . . . . 7181 1 561 . 1 1 53 53 GLU H H 1 9.25 . . 1 . . . . . . . . 7181 1 562 . 1 1 53 53 GLU CA C 13 54.7 . . 1 . . . . . . . . 7181 1 563 . 1 1 53 53 GLU HA H 1 5.36 . . 1 . . . . . . . . 7181 1 564 . 1 1 53 53 GLU CB C 13 33.1 . . 1 . . . . . . . . 7181 1 565 . 1 1 53 53 GLU HB2 H 1 1.86 . . 2 . . . . . . . . 7181 1 566 . 1 1 53 53 GLU HB3 H 1 1.99 . . 2 . . . . . . . . 7181 1 567 . 1 1 53 53 GLU CG C 13 36.3 . . 1 . . . . . . . . 7181 1 568 . 1 1 53 53 GLU HG2 H 1 2.19 . . 1 . . . . . . . . 7181 1 569 . 1 1 53 53 GLU HG3 H 1 2.19 . . 1 . . . . . . . . 7181 1 570 . 1 1 54 54 THR N N 15 117.5 . . 1 . . . . . . . . 7181 1 571 . 1 1 54 54 THR H H 1 8.88 . . 1 . . . . . . . . 7181 1 572 . 1 1 54 54 THR CA C 13 60.0 . . 1 . . . . . . . . 7181 1 573 . 1 1 54 54 THR HA H 1 4.85 . . 1 . . . . . . . . 7181 1 574 . 1 1 54 54 THR CB C 13 70.6 . . 1 . . . . . . . . 7181 1 575 . 1 1 54 54 THR HB H 1 4.59 . . 1 . . . . . . . . 7181 1 576 . 1 1 54 54 THR HG21 H 1 1.08 . . 1 . . . . . . . . 7181 1 577 . 1 1 54 54 THR HG22 H 1 1.08 . . 1 . . . . . . . . 7181 1 578 . 1 1 54 54 THR HG23 H 1 1.08 . . 1 . . . . . . . . 7181 1 579 . 1 1 54 54 THR CG2 C 13 19.8 . . 1 . . . . . . . . 7181 1 580 . 1 1 55 55 ARG N N 15 121.9 . . 1 . . . . . . . . 7181 1 581 . 1 1 55 55 ARG H H 1 9.27 . . 1 . . . . . . . . 7181 1 582 . 1 1 55 55 ARG CA C 13 58.1 . . 1 . . . . . . . . 7181 1 583 . 1 1 55 55 ARG HA H 1 4.07 . . 1 . . . . . . . . 7181 1 584 . 1 1 55 55 ARG CB C 13 29.3 . . 1 . . . . . . . . 7181 1 585 . 1 1 55 55 ARG HB2 H 1 1.91 . . 2 . . . . . . . . 7181 1 586 . 1 1 55 55 ARG HB3 H 1 1.96 . . 2 . . . . . . . . 7181 1 587 . 1 1 55 55 ARG CG C 13 27.2 . . 1 . . . . . . . . 7181 1 588 . 1 1 55 55 ARG HG2 H 1 1.70 . . 2 . . . . . . . . 7181 1 589 . 1 1 55 55 ARG HG3 H 1 1.77 . . 2 . . . . . . . . 7181 1 590 . 1 1 55 55 ARG CD C 13 43.4 . . 1 . . . . . . . . 7181 1 591 . 1 1 55 55 ARG HD2 H 1 3.29 . . 2 . . . . . . . . 7181 1 592 . 1 1 55 55 ARG HD3 H 1 3.23 . . 2 . . . . . . . . 7181 1 593 . 1 1 56 56 GLN N N 15 112.7 . . 1 . . . . . . . . 7181 1 594 . 1 1 56 56 GLN H H 1 8.29 . . 1 . . . . . . . . 7181 1 595 . 1 1 56 56 GLN CA C 13 56.7 . . 1 . . . . . . . . 7181 1 596 . 1 1 56 56 GLN HA H 1 4.30 . . 1 . . . . . . . . 7181 1 597 . 1 1 56 56 GLN CB C 13 29.5 . . 1 . . . . . . . . 7181 1 598 . 1 1 56 56 GLN HB2 H 1 2.14 . . 2 . . . . . . . . 7181 1 599 . 1 1 56 56 GLN HB3 H 1 2.04 . . 2 . . . . . . . . 7181 1 600 . 1 1 56 56 GLN CG C 13 34.6 . . 1 . . . . . . . . 7181 1 601 . 1 1 56 56 GLN HG2 H 1 2.29 . . 1 . . . . . . . . 7181 1 602 . 1 1 56 56 GLN HG3 H 1 2.29 . . 1 . . . . . . . . 7181 1 603 . 1 1 56 56 GLN NE2 N 15 112.1 . . 1 . . . . . . . . 7181 1 604 . 1 1 56 56 GLN HE21 H 1 6.87 . . 2 . . . . . . . . 7181 1 605 . 1 1 56 56 GLN HE22 H 1 7.45 . . 2 . . . . . . . . 7181 1 606 . 1 1 57 57 THR N N 15 113.9 . . 1 . . . . . . . . 7181 1 607 . 1 1 57 57 THR H H 1 7.88 . . 1 . . . . . . . . 7181 1 608 . 1 1 57 57 THR CA C 13 60.7 . . 1 . . . . . . . . 7181 1 609 . 1 1 57 57 THR HA H 1 4.65 . . 1 . . . . . . . . 7181 1 610 . 1 1 57 57 THR CB C 13 70.5 . . 1 . . . . . . . . 7181 1 611 . 1 1 57 57 THR HB H 1 4.09 . . 1 . . . . . . . . 7181 1 612 . 1 1 57 57 THR HG21 H 1 1.11 . . 1 . . . . . . . . 7181 1 613 . 1 1 57 57 THR HG22 H 1 1.11 . . 1 . . . . . . . . 7181 1 614 . 1 1 57 57 THR HG23 H 1 1.11 . . 1 . . . . . . . . 7181 1 615 . 1 1 57 57 THR CG2 C 13 19.9 . . 1 . . . . . . . . 7181 1 616 . 1 1 58 58 SER N N 15 117.9 . . 1 . . . . . . . . 7181 1 617 . 1 1 58 58 SER H H 1 8.32 . . 1 . . . . . . . . 7181 1 618 . 1 1 58 58 SER CA C 13 56.8 . . 1 . . . . . . . . 7181 1 619 . 1 1 58 58 SER HA H 1 5.36 . . 1 . . . . . . . . 7181 1 620 . 1 1 58 58 SER CB C 13 64.3 . . 1 . . . . . . . . 7181 1 621 . 1 1 58 58 SER HB2 H 1 3.79 . . 2 . . . . . . . . 7181 1 622 . 1 1 58 58 SER HB3 H 1 3.82 . . 2 . . . . . . . . 7181 1 623 . 1 1 59 59 LEU N N 15 125.0 . . 1 . . . . . . . . 7181 1 624 . 1 1 59 59 LEU H H 1 9.14 . . 1 . . . . . . . . 7181 1 625 . 1 1 59 59 LEU CA C 13 54.3 . . 1 . . . . . . . . 7181 1 626 . 1 1 59 59 LEU HA H 1 4.75 . . 1 . . . . . . . . 7181 1 627 . 1 1 59 59 LEU CB C 13 45.7 . . 1 . . . . . . . . 7181 1 628 . 1 1 59 59 LEU HB2 H 1 1.56 . . 2 . . . . . . . . 7181 1 629 . 1 1 59 59 LEU HB3 H 1 1.48 . . 2 . . . . . . . . 7181 1 630 . 1 1 59 59 LEU CG C 13 26.5 . . 1 . . . . . . . . 7181 1 631 . 1 1 59 59 LEU HG H 1 1.49 . . 1 . . . . . . . . 7181 1 632 . 1 1 59 59 LEU HD11 H 1 0.84 . . 1 . . . . . . . . 7181 1 633 . 1 1 59 59 LEU HD12 H 1 0.84 . . 1 . . . . . . . . 7181 1 634 . 1 1 59 59 LEU HD13 H 1 0.84 . . 1 . . . . . . . . 7181 1 635 . 1 1 59 59 LEU HD21 H 1 0.84 . . 1 . . . . . . . . 7181 1 636 . 1 1 59 59 LEU HD22 H 1 0.84 . . 1 . . . . . . . . 7181 1 637 . 1 1 59 59 LEU HD23 H 1 0.84 . . 1 . . . . . . . . 7181 1 638 . 1 1 59 59 LEU CD1 C 13 26.5 . . 1 . . . . . . . . 7181 1 639 . 1 1 59 59 LEU CD2 C 13 26.5 . . 1 . . . . . . . . 7181 1 640 . 1 1 60 60 ALA N N 15 125.0 . . 1 . . . . . . . . 7181 1 641 . 1 1 60 60 ALA H H 1 8.39 . . 1 . . . . . . . . 7181 1 642 . 1 1 60 60 ALA CA C 13 50.7 . . 1 . . . . . . . . 7181 1 643 . 1 1 60 60 ALA HA H 1 4.79 . . 1 . . . . . . . . 7181 1 644 . 1 1 60 60 ALA HB1 H 1 1.26 . . 1 . . . . . . . . 7181 1 645 . 1 1 60 60 ALA HB2 H 1 1.26 . . 1 . . . . . . . . 7181 1 646 . 1 1 60 60 ALA HB3 H 1 1.26 . . 1 . . . . . . . . 7181 1 647 . 1 1 60 60 ALA CB C 13 18.7 . . 1 . . . . . . . . 7181 1 648 . 1 1 61 61 LEU N N 15 124.7 . . 1 . . . . . . . . 7181 1 649 . 1 1 61 61 LEU H H 1 9.04 . . 1 . . . . . . . . 7181 1 650 . 1 1 61 61 LEU CA C 13 53.1 . . 1 . . . . . . . . 7181 1 651 . 1 1 61 61 LEU HA H 1 4.70 . . 1 . . . . . . . . 7181 1 652 . 1 1 61 61 LEU CB C 13 44.6 . . 1 . . . . . . . . 7181 1 653 . 1 1 61 61 LEU HB2 H 1 1.69 . . 2 . . . . . . . . 7181 1 654 . 1 1 61 61 LEU HB3 H 1 1.54 . . 2 . . . . . . . . 7181 1 655 . 1 1 61 61 LEU CG C 13 26.8 . . 1 . . . . . . . . 7181 1 656 . 1 1 61 61 LEU HG H 1 1.61 . . 1 . . . . . . . . 7181 1 657 . 1 1 61 61 LEU HD11 H 1 0.83 . . 2 . . . . . . . . 7181 1 658 . 1 1 61 61 LEU HD12 H 1 0.83 . . 2 . . . . . . . . 7181 1 659 . 1 1 61 61 LEU HD13 H 1 0.83 . . 2 . . . . . . . . 7181 1 660 . 1 1 61 61 LEU HD21 H 1 0.82 . . 2 . . . . . . . . 7181 1 661 . 1 1 61 61 LEU HD22 H 1 0.82 . . 2 . . . . . . . . 7181 1 662 . 1 1 61 61 LEU HD23 H 1 0.82 . . 2 . . . . . . . . 7181 1 663 . 1 1 61 61 LEU CD1 C 13 24.5 . . 1 . . . . . . . . 7181 1 664 . 1 1 61 61 LEU CD2 C 13 24.4 . . 1 . . . . . . . . 7181 1 665 . 1 1 62 62 ARG N N 15 120.0 . . 1 . . . . . . . . 7181 1 666 . 1 1 62 62 ARG H H 1 9.10 . . 1 . . . . . . . . 7181 1 667 . 1 1 62 62 ARG CA C 13 53.6 . . 1 . . . . . . . . 7181 1 668 . 1 1 62 62 ARG HA H 1 4.77 . . 1 . . . . . . . . 7181 1 669 . 1 1 62 62 ARG CB C 13 29.7 . . 1 . . . . . . . . 7181 1 670 . 1 1 62 62 ARG HB2 H 1 2.21 . . 2 . . . . . . . . 7181 1 671 . 1 1 62 62 ARG HB3 H 1 1.71 . . 2 . . . . . . . . 7181 1 672 . 1 1 62 62 ARG CG C 13 26.4 . . 1 . . . . . . . . 7181 1 673 . 1 1 62 62 ARG HG2 H 1 1.74 . . 2 . . . . . . . . 7181 1 674 . 1 1 62 62 ARG HG3 H 1 1.86 . . 2 . . . . . . . . 7181 1 675 . 1 1 62 62 ARG CD C 13 42.6 . . 1 . . . . . . . . 7181 1 676 . 1 1 62 62 ARG HD2 H 1 3.29 . . 2 . . . . . . . . 7181 1 677 . 1 1 62 62 ARG HD3 H 1 3.10 . . 2 . . . . . . . . 7181 1 678 . 1 1 63 63 ARG N N 15 126.0 . . 1 . . . . . . . . 7181 1 679 . 1 1 63 63 ARG H H 1 9.52 . . 1 . . . . . . . . 7181 1 680 . 1 1 63 63 ARG CA C 13 60.2 . . 1 . . . . . . . . 7181 1 681 . 1 1 63 63 ARG HA H 1 3.77 . . 1 . . . . . . . . 7181 1 682 . 1 1 63 63 ARG CB C 13 29.3 . . 1 . . . . . . . . 7181 1 683 . 1 1 63 63 ARG HB2 H 1 1.88 . . 2 . . . . . . . . 7181 1 684 . 1 1 63 63 ARG HB3 H 1 1.78 . . 2 . . . . . . . . 7181 1 685 . 1 1 63 63 ARG CG C 13 27.6 . . 1 . . . . . . . . 7181 1 686 . 1 1 63 63 ARG HG2 H 1 1.57 . . 2 . . . . . . . . 7181 1 687 . 1 1 63 63 ARG HG3 H 1 1.69 . . 2 . . . . . . . . 7181 1 688 . 1 1 63 63 ARG CD C 13 43.1 . . 1 . . . . . . . . 7181 1 689 . 1 1 63 63 ARG HD2 H 1 3.16 . . 1 . . . . . . . . 7181 1 690 . 1 1 63 63 ARG HD3 H 1 3.16 . . 1 . . . . . . . . 7181 1 691 . 1 1 64 64 LYS N N 15 115.7 . . 1 . . . . . . . . 7181 1 692 . 1 1 64 64 LYS H H 1 8.52 . . 1 . . . . . . . . 7181 1 693 . 1 1 64 64 LYS CA C 13 58.7 . . 1 . . . . . . . . 7181 1 694 . 1 1 64 64 LYS HA H 1 3.97 . . 1 . . . . . . . . 7181 1 695 . 1 1 64 64 LYS CB C 13 32.1 . . 1 . . . . . . . . 7181 1 696 . 1 1 64 64 LYS HB2 H 1 1.62 . . 2 . . . . . . . . 7181 1 697 . 1 1 64 64 LYS HB3 H 1 1.76 . . 2 . . . . . . . . 7181 1 698 . 1 1 64 64 LYS CG C 13 24.4 . . 1 . . . . . . . . 7181 1 699 . 1 1 64 64 LYS HG2 H 1 1.29 . . 1 . . . . . . . . 7181 1 700 . 1 1 64 64 LYS HG3 H 1 1.29 . . 1 . . . . . . . . 7181 1 701 . 1 1 64 64 LYS CD C 13 29.3 . . 1 . . . . . . . . 7181 1 702 . 1 1 64 64 LYS HD2 H 1 1.60 . . 1 . . . . . . . . 7181 1 703 . 1 1 64 64 LYS HD3 H 1 1.60 . . 1 . . . . . . . . 7181 1 704 . 1 1 64 64 LYS CE C 13 41.9 . . 1 . . . . . . . . 7181 1 705 . 1 1 64 64 LYS HE2 H 1 2.83 . . 2 . . . . . . . . 7181 1 706 . 1 1 64 64 LYS HE3 H 1 2.87 . . 2 . . . . . . . . 7181 1 707 . 1 1 65 65 ASP N N 15 116.7 . . 1 . . . . . . . . 7181 1 708 . 1 1 65 65 ASP H H 1 7.10 . . 1 . . . . . . . . 7181 1 709 . 1 1 65 65 ASP CA C 13 56.9 . . 1 . . . . . . . . 7181 1 710 . 1 1 65 65 ASP HA H 1 4.58 . . 1 . . . . . . . . 7181 1 711 . 1 1 65 65 ASP CB C 13 41.4 . . 1 . . . . . . . . 7181 1 712 . 1 1 65 65 ASP HB2 H 1 2.94 . . 2 . . . . . . . . 7181 1 713 . 1 1 65 65 ASP HB3 H 1 2.53 . . 2 . . . . . . . . 7181 1 714 . 1 1 66 66 LEU N N 15 118.0 . . 1 . . . . . . . . 7181 1 715 . 1 1 66 66 LEU H H 1 7.43 . . 1 . . . . . . . . 7181 1 716 . 1 1 66 66 LEU CA C 13 57.1 . . 1 . . . . . . . . 7181 1 717 . 1 1 66 66 LEU HA H 1 3.89 . . 1 . . . . . . . . 7181 1 718 . 1 1 66 66 LEU CB C 13 41.5 . . 1 . . . . . . . . 7181 1 719 . 1 1 66 66 LEU HB2 H 1 1.61 . . 2 . . . . . . . . 7181 1 720 . 1 1 66 66 LEU HB3 H 1 1.53 . . 2 . . . . . . . . 7181 1 721 . 1 1 66 66 LEU CG C 13 27.1 . . 1 . . . . . . . . 7181 1 722 . 1 1 66 66 LEU HG H 1 1.58 . . 1 . . . . . . . . 7181 1 723 . 1 1 66 66 LEU HD11 H 1 0.70 . . 2 . . . . . . . . 7181 1 724 . 1 1 66 66 LEU HD12 H 1 0.70 . . 2 . . . . . . . . 7181 1 725 . 1 1 66 66 LEU HD13 H 1 0.70 . . 2 . . . . . . . . 7181 1 726 . 1 1 66 66 LEU HD21 H 1 0.71 . . 2 . . . . . . . . 7181 1 727 . 1 1 66 66 LEU HD22 H 1 0.71 . . 2 . . . . . . . . 7181 1 728 . 1 1 66 66 LEU HD23 H 1 0.71 . . 2 . . . . . . . . 7181 1 729 . 1 1 66 66 LEU CD1 C 13 25.1 . . 1 . . . . . . . . 7181 1 730 . 1 1 66 66 LEU CD2 C 13 25.1 . . 1 . . . . . . . . 7181 1 731 . 1 1 67 67 ALA N N 15 118.0 . . 1 . . . . . . . . 7181 1 732 . 1 1 67 67 ALA H H 1 7.85 . . 1 . . . . . . . . 7181 1 733 . 1 1 67 67 ALA CA C 13 53.6 . . 1 . . . . . . . . 7181 1 734 . 1 1 67 67 ALA HA H 1 4.16 . . 1 . . . . . . . . 7181 1 735 . 1 1 67 67 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 7181 1 736 . 1 1 67 67 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 7181 1 737 . 1 1 67 67 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 7181 1 738 . 1 1 67 67 ALA CB C 13 18.2 . . 1 . . . . . . . . 7181 1 739 . 1 1 68 68 LEU N N 15 116.9 . . 1 . . . . . . . . 7181 1 740 . 1 1 68 68 LEU H H 1 7.32 . . 1 . . . . . . . . 7181 1 741 . 1 1 68 68 LEU CA C 13 54.9 . . 1 . . . . . . . . 7181 1 742 . 1 1 68 68 LEU HA H 1 4.35 . . 1 . . . . . . . . 7181 1 743 . 1 1 68 68 LEU CB C 13 42.3 . . 1 . . . . . . . . 7181 1 744 . 1 1 68 68 LEU HB2 H 1 2.03 . . 2 . . . . . . . . 7181 1 745 . 1 1 68 68 LEU HB3 H 1 1.68 . . 2 . . . . . . . . 7181 1 746 . 1 1 68 68 LEU CG C 13 26.6 . . 1 . . . . . . . . 7181 1 747 . 1 1 68 68 LEU HG H 1 1.82 . . 1 . . . . . . . . 7181 1 748 . 1 1 68 68 LEU HD11 H 1 0.70 . . 2 . . . . . . . . 7181 1 749 . 1 1 68 68 LEU HD12 H 1 0.70 . . 2 . . . . . . . . 7181 1 750 . 1 1 68 68 LEU HD13 H 1 0.70 . . 2 . . . . . . . . 7181 1 751 . 1 1 68 68 LEU HD21 H 1 0.74 . . 2 . . . . . . . . 7181 1 752 . 1 1 68 68 LEU HD22 H 1 0.74 . . 2 . . . . . . . . 7181 1 753 . 1 1 68 68 LEU HD23 H 1 0.74 . . 2 . . . . . . . . 7181 1 754 . 1 1 68 68 LEU CD1 C 13 26.4 . . 1 . . . . . . . . 7181 1 755 . 1 1 68 68 LEU CD2 C 13 22.5 . . 1 . . . . . . . . 7181 1 756 . 1 1 69 69 LEU N N 15 118.7 . . 1 . . . . . . . . 7181 1 757 . 1 1 69 69 LEU H H 1 7.51 . . 1 . . . . . . . . 7181 1 758 . 1 1 69 69 LEU CA C 13 53.4 . . 1 . . . . . . . . 7181 1 759 . 1 1 69 69 LEU HA H 1 4.75 . . 1 . . . . . . . . 7181 1 760 . 1 1 69 69 LEU CB C 13 44.1 . . 1 . . . . . . . . 7181 1 761 . 1 1 69 69 LEU HB2 H 1 1.90 . . 2 . . . . . . . . 7181 1 762 . 1 1 69 69 LEU HB3 H 1 1.18 . . 2 . . . . . . . . 7181 1 763 . 1 1 69 69 LEU CG C 13 26.4 . . 1 . . . . . . . . 7181 1 764 . 1 1 69 69 LEU HG H 1 2.01 . . 1 . . . . . . . . 7181 1 765 . 1 1 69 69 LEU HD11 H 1 0.89 . . 2 . . . . . . . . 7181 1 766 . 1 1 69 69 LEU HD12 H 1 0.89 . . 2 . . . . . . . . 7181 1 767 . 1 1 69 69 LEU HD13 H 1 0.89 . . 2 . . . . . . . . 7181 1 768 . 1 1 69 69 LEU HD21 H 1 0.83 . . 2 . . . . . . . . 7181 1 769 . 1 1 69 69 LEU HD22 H 1 0.83 . . 2 . . . . . . . . 7181 1 770 . 1 1 69 69 LEU HD23 H 1 0.83 . . 2 . . . . . . . . 7181 1 771 . 1 1 69 69 LEU CD1 C 13 24.3 . . 1 . . . . . . . . 7181 1 772 . 1 1 69 69 LEU CD2 C 13 26.3 . . 1 . . . . . . . . 7181 1 773 . 1 1 70 70 THR N N 15 116.6 . . 1 . . . . . . . . 7181 1 774 . 1 1 70 70 THR H H 1 8.22 . . 1 . . . . . . . . 7181 1 775 . 1 1 70 70 THR CA C 13 61.2 . . 1 . . . . . . . . 7181 1 776 . 1 1 70 70 THR HA H 1 4.39 . . 1 . . . . . . . . 7181 1 777 . 1 1 70 70 THR CB C 13 68.4 . . 1 . . . . . . . . 7181 1 778 . 1 1 70 70 THR HB H 1 3.77 . . 1 . . . . . . . . 7181 1 779 . 1 1 70 70 THR HG21 H 1 0.90 . . 1 . . . . . . . . 7181 1 780 . 1 1 70 70 THR HG22 H 1 0.90 . . 1 . . . . . . . . 7181 1 781 . 1 1 70 70 THR HG23 H 1 0.90 . . 1 . . . . . . . . 7181 1 782 . 1 1 70 70 THR CG2 C 13 21.4 . . 1 . . . . . . . . 7181 1 783 . 1 1 71 71 LEU N N 15 125.1 . . 1 . . . . . . . . 7181 1 784 . 1 1 71 71 LEU H H 1 8.32 . . 1 . . . . . . . . 7181 1 785 . 1 1 71 71 LEU CA C 13 53.2 . . 1 . . . . . . . . 7181 1 786 . 1 1 71 71 LEU HA H 1 5.43 . . 1 . . . . . . . . 7181 1 787 . 1 1 71 71 LEU CB C 13 45.7 . . 1 . . . . . . . . 7181 1 788 . 1 1 71 71 LEU HB2 H 1 1.51 . . 2 . . . . . . . . 7181 1 789 . 1 1 71 71 LEU HB3 H 1 1.15 . . 2 . . . . . . . . 7181 1 790 . 1 1 71 71 LEU CG C 13 26.4 . . 1 . . . . . . . . 7181 1 791 . 1 1 71 71 LEU HG H 1 1.35 . . 1 . . . . . . . . 7181 1 792 . 1 1 71 71 LEU HD11 H 1 0.40 . . 2 . . . . . . . . 7181 1 793 . 1 1 71 71 LEU HD12 H 1 0.40 . . 2 . . . . . . . . 7181 1 794 . 1 1 71 71 LEU HD13 H 1 0.40 . . 2 . . . . . . . . 7181 1 795 . 1 1 71 71 LEU HD21 H 1 0.60 . . 2 . . . . . . . . 7181 1 796 . 1 1 71 71 LEU HD22 H 1 0.60 . . 2 . . . . . . . . 7181 1 797 . 1 1 71 71 LEU HD23 H 1 0.60 . . 2 . . . . . . . . 7181 1 798 . 1 1 71 71 LEU CD1 C 13 25.6 . . 1 . . . . . . . . 7181 1 799 . 1 1 71 71 LEU CD2 C 13 25.7 . . 1 . . . . . . . . 7181 1 800 . 1 1 72 72 VAL N N 15 117.5 . . 1 . . . . . . . . 7181 1 801 . 1 1 72 72 VAL H H 1 8.81 . . 1 . . . . . . . . 7181 1 802 . 1 1 72 72 VAL CA C 13 58.2 . . 1 . . . . . . . . 7181 1 803 . 1 1 72 72 VAL HA H 1 4.94 . . 1 . . . . . . . . 7181 1 804 . 1 1 72 72 VAL CB C 13 34.5 . . 1 . . . . . . . . 7181 1 805 . 1 1 72 72 VAL HB H 1 2.12 . . 1 . . . . . . . . 7181 1 806 . 1 1 72 72 VAL HG11 H 1 0.89 . . 2 . . . . . . . . 7181 1 807 . 1 1 72 72 VAL HG12 H 1 0.89 . . 2 . . . . . . . . 7181 1 808 . 1 1 72 72 VAL HG13 H 1 0.89 . . 2 . . . . . . . . 7181 1 809 . 1 1 72 72 VAL HG21 H 1 0.98 . . 2 . . . . . . . . 7181 1 810 . 1 1 72 72 VAL HG22 H 1 0.98 . . 2 . . . . . . . . 7181 1 811 . 1 1 72 72 VAL HG23 H 1 0.98 . . 2 . . . . . . . . 7181 1 812 . 1 1 72 72 VAL CG1 C 13 20.1 . . 1 . . . . . . . . 7181 1 813 . 1 1 72 72 VAL CG2 C 13 21.2 . . 1 . . . . . . . . 7181 1 814 . 1 1 73 73 PRO CD C 13 51.0 . . 1 . . . . . . . . 7181 1 815 . 1 1 73 73 PRO CA C 13 63.1 . . 1 . . . . . . . . 7181 1 816 . 1 1 73 73 PRO HA H 1 4.28 . . 1 . . . . . . . . 7181 1 817 . 1 1 73 73 PRO CB C 13 32.0 . . 1 . . . . . . . . 7181 1 818 . 1 1 73 73 PRO HB2 H 1 1.87 . . 2 . . . . . . . . 7181 1 819 . 1 1 73 73 PRO HB3 H 1 2.18 . . 2 . . . . . . . . 7181 1 820 . 1 1 73 73 PRO CG C 13 27.6 . . 1 . . . . . . . . 7181 1 821 . 1 1 73 73 PRO HG2 H 1 2.02 . . 2 . . . . . . . . 7181 1 822 . 1 1 73 73 PRO HG3 H 1 2.17 . . 2 . . . . . . . . 7181 1 823 . 1 1 73 73 PRO HD2 H 1 3.89 . . 2 . . . . . . . . 7181 1 824 . 1 1 73 73 PRO HD3 H 1 3.82 . . 2 . . . . . . . . 7181 1 825 . 1 1 74 74 LEU N N 15 123.1 . . 1 . . . . . . . . 7181 1 826 . 1 1 74 74 LEU H H 1 8.06 . . 1 . . . . . . . . 7181 1 827 . 1 1 74 74 LEU CA C 13 54.6 . . 1 . . . . . . . . 7181 1 828 . 1 1 74 74 LEU HA H 1 4.29 . . 1 . . . . . . . . 7181 1 829 . 1 1 74 74 LEU CB C 13 42.5 . . 1 . . . . . . . . 7181 1 830 . 1 1 74 74 LEU HB2 H 1 1.43 . . 2 . . . . . . . . 7181 1 831 . 1 1 74 74 LEU HB3 H 1 1.15 . . 2 . . . . . . . . 7181 1 832 . 1 1 74 74 LEU CG C 13 26.7 . . 1 . . . . . . . . 7181 1 833 . 1 1 74 74 LEU HG H 1 1.43 . . 1 . . . . . . . . 7181 1 834 . 1 1 74 74 LEU HD11 H 1 0.73 . . 2 . . . . . . . . 7181 1 835 . 1 1 74 74 LEU HD12 H 1 0.73 . . 2 . . . . . . . . 7181 1 836 . 1 1 74 74 LEU HD13 H 1 0.73 . . 2 . . . . . . . . 7181 1 837 . 1 1 74 74 LEU HD21 H 1 0.78 . . 2 . . . . . . . . 7181 1 838 . 1 1 74 74 LEU HD22 H 1 0.78 . . 2 . . . . . . . . 7181 1 839 . 1 1 74 74 LEU HD23 H 1 0.78 . . 2 . . . . . . . . 7181 1 840 . 1 1 74 74 LEU CD1 C 13 22.3 . . 1 . . . . . . . . 7181 1 841 . 1 1 74 74 LEU CD2 C 13 23.8 . . 1 . . . . . . . . 7181 1 842 . 1 1 75 75 ASP N N 15 120.2 . . 1 . . . . . . . . 7181 1 843 . 1 1 75 75 ASP H H 1 7.82 . . 1 . . . . . . . . 7181 1 844 . 1 1 75 75 ASP CA C 13 52.2 . . 1 . . . . . . . . 7181 1 845 . 1 1 75 75 ASP HA H 1 4.82 . . 1 . . . . . . . . 7181 1 846 . 1 1 75 75 ASP CB C 13 31.1 . . 1 . . . . . . . . 7181 1 847 . 1 1 75 75 ASP HB2 H 1 2.06 . . 2 . . . . . . . . 7181 1 848 . 1 1 75 75 ASP HB3 H 1 1.73 . . 2 . . . . . . . . 7181 1 stop_ save_