data_4316 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4316 _Entry.Title ; 1H, 13C and 15N Chemical Shift Assignements for Subunit c of the ATP Synthase from Propionigenium modestum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-03-11 _Entry.Accession_date 1999-03-16 _Entry.Last_release_date 1999-05-27 _Entry.Original_release_date 1999-05-27 _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 Ulrich Matthey . . . 4316 2 Georg Kaim . . . 4316 3 Daniel Braun . . . 4316 4 Kurt Wuthrich . . . 4316 5 Peter Dimroth . . . 4316 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4316 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 269 4316 '15N chemical shifts' 85 4316 '1H chemical shifts' 617 4316 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 . . 1999-05-27 1999-03-11 original author . 4316 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4316 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99234020 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Matthey, U., Kaim, G., Braun, D., Wuthrich, K. and Dimroth, P., "NMR Studies of Subunit C of the ATP Synthase from Propionigenium modestum in Dodecylsulfate Micelles," Eur. J. Biochem., 261, 459-467 (1999). ; _Citation.Title ; NMR Studies of Subunit C of the ATP Synthase from Propionigenium modestum in Dodecylsulfate Micelles ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full 'European Journal of Biochemistry' _Citation.Journal_volume 261 _Citation.Journal_issue 2 _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 459 _Citation.Page_last 467 _Citation.Year 1999 _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 Ulrich Matthey . . . 4316 1 2 Georg Kaim . . . 4316 1 3 Daniel Braun . . . 4316 1 4 Kurt Wuthrich . . . 4316 1 5 Peter Dimroth . . . 4316 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'ATP synthase' 4316 1 NMR 4316 1 'Propionigenium modestum' 4316 1 structure 4316 1 'Subunit c' 4316 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_ATP_synthase_subunit_c _Assembly.Sf_category assembly _Assembly.Sf_framecode ATP_synthase_subunit_c _Assembly.Entry_ID 4316 _Assembly.ID 1 _Assembly.Name 'subunit c of ATP synthase' _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.6.1.37 _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 4316 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 'ATP synthase subunit c' 1 $ATP_synthase_subunit_c_monomer . . . 'molten globule' . . . . . 4316 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'subunit c' abbreviation 4316 1 'subunit c of ATP synthase' system 4316 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'ion binding subunit of the Na+-translocating F1F0 ATP synthase from Propionigenium modestum' 4316 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ATP_synthase_subunit_c_monomer _Entity.Sf_category entity _Entity.Sf_framecode ATP_synthase_subunit_c_monomer _Entity.Entry_ID 4316 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ATP synthase subunit c' _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 ; MDMVLAKTVVLAASAVGAGA AMIAGIGPGVGQGYAAGKAV ESVARQPEAKGDIISTMVLG QAIAESTGIYSLVIALILLY ANPFVGLLG ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8731 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 EMBL CAA37840 . "ATPase subunit c [Propionigenium modestum]" . . . . . 100.00 89 100.00 100.00 7.75e-51 . . . . 4316 1 2 no EMBL CAA37912 . "unnamed protein product [Propionigenium modestum]" . . . . . 100.00 89 100.00 100.00 7.75e-51 . . . . 4316 1 3 no EMBL CAA41369 . "F0 subunit [Propionigenium modestum]" . . . . . 100.00 89 100.00 100.00 7.75e-51 . . . . 4316 1 4 no EMBL CAA46895 . "ATPase c subunit [Propionigenium modestum]" . . . . . 100.00 89 100.00 100.00 7.75e-51 . . . . 4316 1 5 no GB AAB22156 . "sodium dependent ATPase F1 subunit c [Propionigenium modestum, Peptide, 89 aa]" . . . . . 100.00 89 100.00 100.00 7.75e-51 . . . . 4316 1 6 no SP P21905 . "RecName: Full=ATP synthase subunit c, sodium ion specific; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-ty" . . . . . 100.00 89 100.00 100.00 7.75e-51 . . . . 4316 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ATP synthase subunit c' common 4316 1 'F1F0 ATPase subunit c' abbreviation 4316 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 . 4316 1 2 . ASP . 4316 1 3 . MET . 4316 1 4 . VAL . 4316 1 5 . LEU . 4316 1 6 . ALA . 4316 1 7 . LYS . 4316 1 8 . THR . 4316 1 9 . VAL . 4316 1 10 . VAL . 4316 1 11 . LEU . 4316 1 12 . ALA . 4316 1 13 . ALA . 4316 1 14 . SER . 4316 1 15 . ALA . 4316 1 16 . VAL . 4316 1 17 . GLY . 4316 1 18 . ALA . 4316 1 19 . GLY . 4316 1 20 . ALA . 4316 1 21 . ALA . 4316 1 22 . MET . 4316 1 23 . ILE . 4316 1 24 . ALA . 4316 1 25 . GLY . 4316 1 26 . ILE . 4316 1 27 . GLY . 4316 1 28 . PRO . 4316 1 29 . GLY . 4316 1 30 . VAL . 4316 1 31 . GLY . 4316 1 32 . GLN . 4316 1 33 . GLY . 4316 1 34 . TYR . 4316 1 35 . ALA . 4316 1 36 . ALA . 4316 1 37 . GLY . 4316 1 38 . LYS . 4316 1 39 . ALA . 4316 1 40 . VAL . 4316 1 41 . GLU . 4316 1 42 . SER . 4316 1 43 . VAL . 4316 1 44 . ALA . 4316 1 45 . ARG . 4316 1 46 . GLN . 4316 1 47 . PRO . 4316 1 48 . GLU . 4316 1 49 . ALA . 4316 1 50 . LYS . 4316 1 51 . GLY . 4316 1 52 . ASP . 4316 1 53 . ILE . 4316 1 54 . ILE . 4316 1 55 . SER . 4316 1 56 . THR . 4316 1 57 . MET . 4316 1 58 . VAL . 4316 1 59 . LEU . 4316 1 60 . GLY . 4316 1 61 . GLN . 4316 1 62 . ALA . 4316 1 63 . ILE . 4316 1 64 . ALA . 4316 1 65 . GLU . 4316 1 66 . SER . 4316 1 67 . THR . 4316 1 68 . GLY . 4316 1 69 . ILE . 4316 1 70 . TYR . 4316 1 71 . SER . 4316 1 72 . LEU . 4316 1 73 . VAL . 4316 1 74 . ILE . 4316 1 75 . ALA . 4316 1 76 . LEU . 4316 1 77 . ILE . 4316 1 78 . LEU . 4316 1 79 . LEU . 4316 1 80 . TYR . 4316 1 81 . ALA . 4316 1 82 . ASN . 4316 1 83 . PRO . 4316 1 84 . PHE . 4316 1 85 . VAL . 4316 1 86 . GLY . 4316 1 87 . LEU . 4316 1 88 . LEU . 4316 1 89 . GLY . 4316 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 4316 1 . ASP 2 2 4316 1 . MET 3 3 4316 1 . VAL 4 4 4316 1 . LEU 5 5 4316 1 . ALA 6 6 4316 1 . LYS 7 7 4316 1 . THR 8 8 4316 1 . VAL 9 9 4316 1 . VAL 10 10 4316 1 . LEU 11 11 4316 1 . ALA 12 12 4316 1 . ALA 13 13 4316 1 . SER 14 14 4316 1 . ALA 15 15 4316 1 . VAL 16 16 4316 1 . GLY 17 17 4316 1 . ALA 18 18 4316 1 . GLY 19 19 4316 1 . ALA 20 20 4316 1 . ALA 21 21 4316 1 . MET 22 22 4316 1 . ILE 23 23 4316 1 . ALA 24 24 4316 1 . GLY 25 25 4316 1 . ILE 26 26 4316 1 . GLY 27 27 4316 1 . PRO 28 28 4316 1 . GLY 29 29 4316 1 . VAL 30 30 4316 1 . GLY 31 31 4316 1 . GLN 32 32 4316 1 . GLY 33 33 4316 1 . TYR 34 34 4316 1 . ALA 35 35 4316 1 . ALA 36 36 4316 1 . GLY 37 37 4316 1 . LYS 38 38 4316 1 . ALA 39 39 4316 1 . VAL 40 40 4316 1 . GLU 41 41 4316 1 . SER 42 42 4316 1 . VAL 43 43 4316 1 . ALA 44 44 4316 1 . ARG 45 45 4316 1 . GLN 46 46 4316 1 . PRO 47 47 4316 1 . GLU 48 48 4316 1 . ALA 49 49 4316 1 . LYS 50 50 4316 1 . GLY 51 51 4316 1 . ASP 52 52 4316 1 . ILE 53 53 4316 1 . ILE 54 54 4316 1 . SER 55 55 4316 1 . THR 56 56 4316 1 . MET 57 57 4316 1 . VAL 58 58 4316 1 . LEU 59 59 4316 1 . GLY 60 60 4316 1 . GLN 61 61 4316 1 . ALA 62 62 4316 1 . ILE 63 63 4316 1 . ALA 64 64 4316 1 . GLU 65 65 4316 1 . SER 66 66 4316 1 . THR 67 67 4316 1 . GLY 68 68 4316 1 . ILE 69 69 4316 1 . TYR 70 70 4316 1 . SER 71 71 4316 1 . LEU 72 72 4316 1 . VAL 73 73 4316 1 . ILE 74 74 4316 1 . ALA 75 75 4316 1 . LEU 76 76 4316 1 . ILE 77 77 4316 1 . LEU 78 78 4316 1 . LEU 79 79 4316 1 . TYR 80 80 4316 1 . ALA 81 81 4316 1 . ASN 82 82 4316 1 . PRO 83 83 4316 1 . PHE 84 84 4316 1 . VAL 85 85 4316 1 . GLY 86 86 4316 1 . LEU 87 87 4316 1 . LEU 88 88 4316 1 . GLY 89 89 4316 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 4316 _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 $ATP_synthase_subunit_c_monomer . 2333 . . 'Propionigenium modestum' 'P. modestum' . . Eubacteria . Propionigenium modestum . . . . . . . . . . . . . . . . . . . . . 4316 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 4316 _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 $ATP_synthase_subunit_c_monomer . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli PEF42(DE3) . . . . . . . . . . . . . . . plasmid . . . 'Overexpression of P. modestum subunit c in Escherichia coli PEF42(DE3)' . . 4316 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4316 _Sample.ID 1 _Sample.Type micelles _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 'ATP synthase subunit c' [U-15N] . . 1 $ATP_synthase_subunit_c_monomer . . 1.5 . . mM . . . . 4316 1 2 'SDS deuterated' . . . . . . . 300 . . mM . . . . 4316 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4316 _Sample.ID 2 _Sample.Type micelles _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 'ATP synthase subunit c' '[U-15N; U-13C]' . . 1 $ATP_synthase_subunit_c_monomer . . 1.9 . . mM . . . . 4316 2 2 'SDS deuterated' . . . . . . . 300 . . mM . . . . 4316 2 stop_ save_ ####################### # Sample conditions # ####################### save_Pmc_set1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Pmc_set1 _Sample_condition_list.Entry_ID 4316 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' .42 .01 na 4316 1 pH 5.8 0.1 na 4316 1 temperature 303 0.5 K 4316 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4316 _Software.ID 1 _Software.Name PROSA _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4316 1 stop_ save_ save_software_two _Software.Sf_category software _Software.Sf_framecode software_two _Software.Entry_ID 4316 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral analyses' 4316 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4316 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4316 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_three _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_three _NMR_spectrometer.Entry_ID 4316 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_four _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_four _NMR_spectrometer.Entry_ID 4316 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity+ _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4316 _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_one Bruker DRX . 500 . . . 4316 1 2 NMR_spectrometer_two Bruker DRX . 600 . . . 4316 1 3 NMR_spectrometer_three Bruker DRX . 750 . . . 4316 1 4 NMR_spectrometer_four Varian Unity+ . 750 . . . 4316 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 4316 _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 [15N,1H]-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4316 1 2 '2D ct-[13C,1H]-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4316 1 3 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4316 1 4 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4316 1 5 '3D 15N-res. [1H,1H]-NOESY (mixing time: 60 ms)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4316 1 6 '3D 15N-res. [1H,1H]-TOCSY (mixing time: 60 ms)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4316 1 7 '3D HCCH-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4316 1 8 '3D HCCH-TOCSY (mixing time: 17.2 ms)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4316 1 9 '3D 13C-res. [1H,1H]-NOESY (mixing time: 50 ms)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4316 1 10 '2D [1H, 1H]-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4316 1 11 '2D [1H, 1H]-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4316 1 12 '3D 13C/13C-res. [1H,1H]-NOESY (mixing time: 60 ms)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4316 1 13 '2D 15N{1H}-NOE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4316 1 14 'The 13C/13C-res. [1H, 1H]-NOESY were recorded' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4316 1 15 'to verify some resonance assignments.' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4316 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4316 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D [15N,1H]-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4316 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D ct-[13C,1H]-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4316 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4316 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4316 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 15N-res. [1H,1H]-NOESY (mixing time: 60 ms)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4316 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 15N-res. [1H,1H]-TOCSY (mixing time: 60 ms)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4316 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HCCH-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4316 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HCCH-TOCSY (mixing time: 17.2 ms)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4316 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D 13C-res. [1H,1H]-NOESY (mixing time: 50 ms)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4316 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '2D [1H, 1H]-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4316 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '2D [1H, 1H]-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4316 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D 13C/13C-res. [1H,1H]-NOESY (mixing time: 60 ms)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4316 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '2D 15N{1H}-NOE' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 4316 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name 'The 13C/13C-res. [1H, 1H]-NOESY were recorded' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 4316 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name 'to verify some resonance assignments.' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 4316 _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 0.0 . indirect 0.251449530 . . . . . . . . . 4316 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4316 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4316 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_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4316 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Pmc_set1 _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_one . 4316 1 . . 2 $sample_two . 4316 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 CA C 13 55.3 . . 1 . . . . . . . . 4316 1 2 . 1 1 1 1 MET HA H 1 4.16 . . 1 . . . . . . . . 4316 1 3 . 1 1 1 1 MET CB C 13 33.2 . . 1 . . . . . . . . 4316 1 4 . 1 1 1 1 MET HB2 H 1 2.19 . . 1 . . . . . . . . 4316 1 5 . 1 1 1 1 MET HB3 H 1 2.19 . . 1 . . . . . . . . 4316 1 6 . 1 1 1 1 MET CG C 13 31.0 . . 1 . . . . . . . . 4316 1 7 . 1 1 1 1 MET HG2 H 1 2.59 . . 2 . . . . . . . . 4316 1 8 . 1 1 1 1 MET HG3 H 1 2.52 . . 2 . . . . . . . . 4316 1 9 . 1 1 2 2 ASP N N 15 123.3 . . 1 . . . . . . . . 4316 1 10 . 1 1 2 2 ASP H H 1 8.41 . . 1 . . . . . . . . 4316 1 11 . 1 1 2 2 ASP CA C 13 53.7 . . 1 . . . . . . . . 4316 1 12 . 1 1 2 2 ASP HA H 1 4.77 . . 1 . . . . . . . . 4316 1 13 . 1 1 2 2 ASP CB C 13 41.5 . . 1 . . . . . . . . 4316 1 14 . 1 1 2 2 ASP HB2 H 1 2.87 . . 2 . . . . . . . . 4316 1 15 . 1 1 2 2 ASP HB3 H 1 2.72 . . 2 . . . . . . . . 4316 1 16 . 1 1 3 3 MET N N 15 121.2 . . 1 . . . . . . . . 4316 1 17 . 1 1 3 3 MET H H 1 8.49 . . 1 . . . . . . . . 4316 1 18 . 1 1 3 3 MET CA C 13 56.7 . . 1 . . . . . . . . 4316 1 19 . 1 1 3 3 MET HA H 1 4.44 . . 1 . . . . . . . . 4316 1 20 . 1 1 3 3 MET CB C 13 31.9 . . 1 . . . . . . . . 4316 1 21 . 1 1 3 3 MET HB2 H 1 2.17 . . 1 . . . . . . . . 4316 1 22 . 1 1 3 3 MET HB3 H 1 2.17 . . 1 . . . . . . . . 4316 1 23 . 1 1 3 3 MET CG C 13 32.6 . . 1 . . . . . . . . 4316 1 24 . 1 1 3 3 MET HG2 H 1 2.70 . . 2 . . . . . . . . 4316 1 25 . 1 1 3 3 MET HG3 H 1 2.57 . . 2 . . . . . . . . 4316 1 26 . 1 1 3 3 MET HE1 H 1 2.07 . . 1 . . . . . . . . 4316 1 27 . 1 1 3 3 MET HE2 H 1 2.07 . . 1 . . . . . . . . 4316 1 28 . 1 1 3 3 MET HE3 H 1 2.07 . . 1 . . . . . . . . 4316 1 29 . 1 1 3 3 MET CE C 13 17.3 . . 1 . . . . . . . . 4316 1 30 . 1 1 4 4 VAL N N 15 120.5 . . 1 . . . . . . . . 4316 1 31 . 1 1 4 4 VAL H H 1 8.02 . . 1 . . . . . . . . 4316 1 32 . 1 1 4 4 VAL CA C 13 65.8 . . 1 . . . . . . . . 4316 1 33 . 1 1 4 4 VAL HA H 1 3.74 . . 1 . . . . . . . . 4316 1 34 . 1 1 4 4 VAL CB C 13 31.5 . . 1 . . . . . . . . 4316 1 35 . 1 1 4 4 VAL HB H 1 2.19 . . 1 . . . . . . . . 4316 1 36 . 1 1 4 4 VAL HG11 H 1 1.03 . . 2 . . . . . . . . 4316 1 37 . 1 1 4 4 VAL HG12 H 1 1.03 . . 2 . . . . . . . . 4316 1 38 . 1 1 4 4 VAL HG13 H 1 1.03 . . 2 . . . . . . . . 4316 1 39 . 1 1 4 4 VAL HG21 H 1 0.94 . . 2 . . . . . . . . 4316 1 40 . 1 1 4 4 VAL HG22 H 1 0.94 . . 2 . . . . . . . . 4316 1 41 . 1 1 4 4 VAL HG23 H 1 0.94 . . 2 . . . . . . . . 4316 1 42 . 1 1 4 4 VAL CG1 C 13 22.2 . . 1 . . . . . . . . 4316 1 43 . 1 1 4 4 VAL CG2 C 13 20.9 . . 1 . . . . . . . . 4316 1 44 . 1 1 5 5 LEU N N 15 123.4 . . 1 . . . . . . . . 4316 1 45 . 1 1 5 5 LEU H H 1 8.07 . . 1 . . . . . . . . 4316 1 46 . 1 1 5 5 LEU CA C 13 57.7 . . 1 . . . . . . . . 4316 1 47 . 1 1 5 5 LEU HA H 1 4.16 . . 1 . . . . . . . . 4316 1 48 . 1 1 5 5 LEU CB C 13 41.4 . . 1 . . . . . . . . 4316 1 49 . 1 1 5 5 LEU HB2 H 1 1.73 . . 1 . . . . . . . . 4316 1 50 . 1 1 5 5 LEU HB3 H 1 1.73 . . 1 . . . . . . . . 4316 1 51 . 1 1 5 5 LEU CG C 13 27.4 . . 1 . . . . . . . . 4316 1 52 . 1 1 5 5 LEU HG H 1 1.64 . . 1 . . . . . . . . 4316 1 53 . 1 1 5 5 LEU HD11 H 1 0.97 . . 2 . . . . . . . . 4316 1 54 . 1 1 5 5 LEU HD12 H 1 0.97 . . 2 . . . . . . . . 4316 1 55 . 1 1 5 5 LEU HD13 H 1 0.97 . . 2 . . . . . . . . 4316 1 56 . 1 1 5 5 LEU HD21 H 1 0.94 . . 2 . . . . . . . . 4316 1 57 . 1 1 5 5 LEU HD22 H 1 0.94 . . 2 . . . . . . . . 4316 1 58 . 1 1 5 5 LEU HD23 H 1 0.94 . . 2 . . . . . . . . 4316 1 59 . 1 1 5 5 LEU CD1 C 13 24.3 . . 1 . . . . . . . . 4316 1 60 . 1 1 5 5 LEU CD2 C 13 24.4 . . 1 . . . . . . . . 4316 1 61 . 1 1 6 6 ALA N N 15 120.5 . . 1 . . . . . . . . 4316 1 62 . 1 1 6 6 ALA H H 1 8.02 . . 1 . . . . . . . . 4316 1 63 . 1 1 6 6 ALA CA C 13 55.4 . . 1 . . . . . . . . 4316 1 64 . 1 1 6 6 ALA HA H 1 3.96 . . 1 . . . . . . . . 4316 1 65 . 1 1 6 6 ALA HB1 H 1 1.47 . . 1 . . . . . . . . 4316 1 66 . 1 1 6 6 ALA HB2 H 1 1.47 . . 1 . . . . . . . . 4316 1 67 . 1 1 6 6 ALA HB3 H 1 1.47 . . 1 . . . . . . . . 4316 1 68 . 1 1 6 6 ALA CB C 13 18.4 . . 1 . . . . . . . . 4316 1 69 . 1 1 7 7 LYS N N 15 115.9 . . 1 . . . . . . . . 4316 1 70 . 1 1 7 7 LYS H H 1 8.02 . . 1 . . . . . . . . 4316 1 71 . 1 1 7 7 LYS CA C 13 59.6 . . 1 . . . . . . . . 4316 1 72 . 1 1 7 7 LYS HA H 1 3.91 . . 1 . . . . . . . . 4316 1 73 . 1 1 7 7 LYS CB C 13 32.4 . . 1 . . . . . . . . 4316 1 74 . 1 1 7 7 LYS HB2 H 1 1.97 . . 2 . . . . . . . . 4316 1 75 . 1 1 7 7 LYS HB3 H 1 1.95 . . 2 . . . . . . . . 4316 1 76 . 1 1 7 7 LYS CG C 13 25.7 . . 1 . . . . . . . . 4316 1 77 . 1 1 7 7 LYS HG2 H 1 1.57 . . 2 . . . . . . . . 4316 1 78 . 1 1 7 7 LYS HG3 H 1 1.46 . . 2 . . . . . . . . 4316 1 79 . 1 1 7 7 LYS CD C 13 29.5 . . 1 . . . . . . . . 4316 1 80 . 1 1 7 7 LYS HD2 H 1 1.74 . . 1 . . . . . . . . 4316 1 81 . 1 1 7 7 LYS HD3 H 1 1.74 . . 1 . . . . . . . . 4316 1 82 . 1 1 7 7 LYS CE C 13 42.3 . . 1 . . . . . . . . 4316 1 83 . 1 1 7 7 LYS HE2 H 1 2.97 . . 1 . . . . . . . . 4316 1 84 . 1 1 7 7 LYS HE3 H 1 2.97 . . 1 . . . . . . . . 4316 1 85 . 1 1 8 8 THR N N 15 115.3 . . 1 . . . . . . . . 4316 1 86 . 1 1 8 8 THR H H 1 7.93 . . 1 . . . . . . . . 4316 1 87 . 1 1 8 8 THR CA C 13 66.8 . . 1 . . . . . . . . 4316 1 88 . 1 1 8 8 THR HA H 1 3.89 . . 1 . . . . . . . . 4316 1 89 . 1 1 8 8 THR CB C 13 68.5 . . 1 . . . . . . . . 4316 1 90 . 1 1 8 8 THR HB H 1 4.44 . . 1 . . . . . . . . 4316 1 91 . 1 1 8 8 THR HG21 H 1 1.25 . . 1 . . . . . . . . 4316 1 92 . 1 1 8 8 THR HG22 H 1 1.25 . . 1 . . . . . . . . 4316 1 93 . 1 1 8 8 THR HG23 H 1 1.25 . . 1 . . . . . . . . 4316 1 94 . 1 1 8 8 THR CG2 C 13 21.5 . . 1 . . . . . . . . 4316 1 95 . 1 1 9 9 VAL N N 15 121.2 . . 1 . . . . . . . . 4316 1 96 . 1 1 9 9 VAL H H 1 8.13 . . 1 . . . . . . . . 4316 1 97 . 1 1 9 9 VAL CA C 13 66.6 . . 1 . . . . . . . . 4316 1 98 . 1 1 9 9 VAL HA H 1 3.68 . . 1 . . . . . . . . 4316 1 99 . 1 1 9 9 VAL CB C 13 31.6 . . 1 . . . . . . . . 4316 1 100 . 1 1 9 9 VAL HB H 1 2.24 . . 1 . . . . . . . . 4316 1 101 . 1 1 9 9 VAL HG11 H 1 1.06 . . 2 . . . . . . . . 4316 1 102 . 1 1 9 9 VAL HG12 H 1 1.06 . . 2 . . . . . . . . 4316 1 103 . 1 1 9 9 VAL HG13 H 1 1.06 . . 2 . . . . . . . . 4316 1 104 . 1 1 9 9 VAL HG21 H 1 0.95 . . 2 . . . . . . . . 4316 1 105 . 1 1 9 9 VAL HG22 H 1 0.95 . . 2 . . . . . . . . 4316 1 106 . 1 1 9 9 VAL HG23 H 1 0.95 . . 2 . . . . . . . . 4316 1 107 . 1 1 9 9 VAL CG1 C 13 22.7 . . 1 . . . . . . . . 4316 1 108 . 1 1 9 9 VAL CG2 C 13 21.4 . . 1 . . . . . . . . 4316 1 109 . 1 1 10 10 VAL N N 15 119.1 . . 1 . . . . . . . . 4316 1 110 . 1 1 10 10 VAL H H 1 7.92 . . 1 . . . . . . . . 4316 1 111 . 1 1 10 10 VAL CA C 13 66.7 . . 1 . . . . . . . . 4316 1 112 . 1 1 10 10 VAL HA H 1 3.66 . . 1 . . . . . . . . 4316 1 113 . 1 1 10 10 VAL CB C 13 31.5 . . 1 . . . . . . . . 4316 1 114 . 1 1 10 10 VAL HB H 1 2.19 . . 1 . . . . . . . . 4316 1 115 . 1 1 10 10 VAL HG11 H 1 1.09 . . 2 . . . . . . . . 4316 1 116 . 1 1 10 10 VAL HG12 H 1 1.09 . . 2 . . . . . . . . 4316 1 117 . 1 1 10 10 VAL HG13 H 1 1.09 . . 2 . . . . . . . . 4316 1 118 . 1 1 10 10 VAL HG21 H 1 0.97 . . 2 . . . . . . . . 4316 1 119 . 1 1 10 10 VAL HG22 H 1 0.97 . . 2 . . . . . . . . 4316 1 120 . 1 1 10 10 VAL HG23 H 1 0.97 . . 2 . . . . . . . . 4316 1 121 . 1 1 10 10 VAL CG1 C 13 23.0 . . 1 . . . . . . . . 4316 1 122 . 1 1 10 10 VAL CG2 C 13 21.6 . . 1 . . . . . . . . 4316 1 123 . 1 1 11 11 LEU N N 15 120.5 . . 1 . . . . . . . . 4316 1 124 . 1 1 11 11 LEU H H 1 8.18 . . 1 . . . . . . . . 4316 1 125 . 1 1 11 11 LEU CA C 13 57.7 . . 1 . . . . . . . . 4316 1 126 . 1 1 11 11 LEU HA H 1 4.13 . . 1 . . . . . . . . 4316 1 127 . 1 1 11 11 LEU CB C 13 41.5 . . 1 . . . . . . . . 4316 1 128 . 1 1 11 11 LEU HB2 H 1 1.90 . . 2 . . . . . . . . 4316 1 129 . 1 1 11 11 LEU HB3 H 1 1.60 . . 2 . . . . . . . . 4316 1 130 . 1 1 11 11 LEU CG C 13 27.2 . . 1 . . . . . . . . 4316 1 131 . 1 1 11 11 LEU HG H 1 1.82 . . 1 . . . . . . . . 4316 1 132 . 1 1 11 11 LEU HD11 H 1 0.93 . . 2 . . . . . . . . 4316 1 133 . 1 1 11 11 LEU HD12 H 1 0.93 . . 2 . . . . . . . . 4316 1 134 . 1 1 11 11 LEU HD13 H 1 0.93 . . 2 . . . . . . . . 4316 1 135 . 1 1 11 11 LEU HD21 H 1 0.92 . . 2 . . . . . . . . 4316 1 136 . 1 1 11 11 LEU HD22 H 1 0.92 . . 2 . . . . . . . . 4316 1 137 . 1 1 11 11 LEU HD23 H 1 0.92 . . 2 . . . . . . . . 4316 1 138 . 1 1 11 11 LEU CD1 C 13 25.1 . . 1 . . . . . . . . 4316 1 139 . 1 1 11 11 LEU CD2 C 13 23.3 . . 1 . . . . . . . . 4316 1 140 . 1 1 12 12 ALA N N 15 122.6 . . 1 . . . . . . . . 4316 1 141 . 1 1 12 12 ALA H H 1 8.13 . . 1 . . . . . . . . 4316 1 142 . 1 1 12 12 ALA CA C 13 54.7 . . 1 . . . . . . . . 4316 1 143 . 1 1 12 12 ALA HA H 1 4.18 . . 1 . . . . . . . . 4316 1 144 . 1 1 12 12 ALA HB1 H 1 1.52 . . 1 . . . . . . . . 4316 1 145 . 1 1 12 12 ALA HB2 H 1 1.52 . . 1 . . . . . . . . 4316 1 146 . 1 1 12 12 ALA HB3 H 1 1.52 . . 1 . . . . . . . . 4316 1 147 . 1 1 12 12 ALA CB C 13 18.3 . . 1 . . . . . . . . 4316 1 148 . 1 1 13 13 ALA N N 15 119.8 . . 1 . . . . . . . . 4316 1 149 . 1 1 13 13 ALA H H 1 8.34 . . 1 . . . . . . . . 4316 1 150 . 1 1 13 13 ALA CA C 13 54.6 . . 1 . . . . . . . . 4316 1 151 . 1 1 13 13 ALA HA H 1 4.09 . . 1 . . . . . . . . 4316 1 152 . 1 1 13 13 ALA HB1 H 1 1.52 . . 1 . . . . . . . . 4316 1 153 . 1 1 13 13 ALA HB2 H 1 1.52 . . 1 . . . . . . . . 4316 1 154 . 1 1 13 13 ALA HB3 H 1 1.52 . . 1 . . . . . . . . 4316 1 155 . 1 1 13 13 ALA CB C 13 18.3 . . 1 . . . . . . . . 4316 1 156 . 1 1 14 14 SER N N 15 113.3 . . 1 . . . . . . . . 4316 1 157 . 1 1 14 14 SER H H 1 8.23 . . 1 . . . . . . . . 4316 1 158 . 1 1 14 14 SER CA C 13 60.8 . . 1 . . . . . . . . 4316 1 159 . 1 1 14 14 SER HA H 1 4.35 . . 1 . . . . . . . . 4316 1 160 . 1 1 14 14 SER CB C 13 63.1 . . 1 . . . . . . . . 4316 1 161 . 1 1 14 14 SER HB2 H 1 4.06 . . 2 . . . . . . . . 4316 1 162 . 1 1 14 14 SER HB3 H 1 3.99 . . 2 . . . . . . . . 4316 1 163 . 1 1 15 15 ALA N N 15 124.4 . . 1 . . . . . . . . 4316 1 164 . 1 1 15 15 ALA H H 1 7.94 . . 1 . . . . . . . . 4316 1 165 . 1 1 15 15 ALA CA C 13 54.4 . . 1 . . . . . . . . 4316 1 166 . 1 1 15 15 ALA HA H 1 4.28 . . 1 . . . . . . . . 4316 1 167 . 1 1 15 15 ALA HB1 H 1 1.54 . . 1 . . . . . . . . 4316 1 168 . 1 1 15 15 ALA HB2 H 1 1.54 . . 1 . . . . . . . . 4316 1 169 . 1 1 15 15 ALA HB3 H 1 1.54 . . 1 . . . . . . . . 4316 1 170 . 1 1 15 15 ALA CB C 13 18.6 . . 1 . . . . . . . . 4316 1 171 . 1 1 16 16 VAL N N 15 114.9 . . 1 . . . . . . . . 4316 1 172 . 1 1 16 16 VAL H H 1 7.68 . . 1 . . . . . . . . 4316 1 173 . 1 1 16 16 VAL CA C 13 63.8 . . 1 . . . . . . . . 4316 1 174 . 1 1 16 16 VAL HA H 1 4.04 . . 1 . . . . . . . . 4316 1 175 . 1 1 16 16 VAL CB C 13 31.9 . . 1 . . . . . . . . 4316 1 176 . 1 1 16 16 VAL HB H 1 2.31 . . 1 . . . . . . . . 4316 1 177 . 1 1 16 16 VAL HG11 H 1 1.08 . . 2 . . . . . . . . 4316 1 178 . 1 1 16 16 VAL HG12 H 1 1.08 . . 2 . . . . . . . . 4316 1 179 . 1 1 16 16 VAL HG13 H 1 1.08 . . 2 . . . . . . . . 4316 1 180 . 1 1 16 16 VAL HG21 H 1 0.99 . . 2 . . . . . . . . 4316 1 181 . 1 1 16 16 VAL HG22 H 1 0.99 . . 2 . . . . . . . . 4316 1 182 . 1 1 16 16 VAL HG23 H 1 0.99 . . 2 . . . . . . . . 4316 1 183 . 1 1 16 16 VAL CG1 C 13 21.4 . . 1 . . . . . . . . 4316 1 184 . 1 1 16 16 VAL CG2 C 13 21.4 . . 1 . . . . . . . . 4316 1 185 . 1 1 17 17 GLY N N 15 109.1 . . 1 . . . . . . . . 4316 1 186 . 1 1 17 17 GLY H H 1 8.14 . . 1 . . . . . . . . 4316 1 187 . 1 1 17 17 GLY CA C 13 46.6 . . 1 . . . . . . . . 4316 1 188 . 1 1 17 17 GLY HA2 H 1 3.96 . . 1 . . . . . . . . 4316 1 189 . 1 1 17 17 GLY HA3 H 1 3.96 . . 1 . . . . . . . . 4316 1 190 . 1 1 18 18 ALA N N 15 123.1 . . 1 . . . . . . . . 4316 1 191 . 1 1 18 18 ALA H H 1 8.10 . . 1 . . . . . . . . 4316 1 192 . 1 1 18 18 ALA CA C 13 54.1 . . 1 . . . . . . . . 4316 1 193 . 1 1 18 18 ALA HA H 1 4.23 . . 1 . . . . . . . . 4316 1 194 . 1 1 18 18 ALA HB1 H 1 1.46 . . 1 . . . . . . . . 4316 1 195 . 1 1 18 18 ALA HB2 H 1 1.46 . . 1 . . . . . . . . 4316 1 196 . 1 1 18 18 ALA HB3 H 1 1.46 . . 1 . . . . . . . . 4316 1 197 . 1 1 18 18 ALA CB C 13 18.9 . . 1 . . . . . . . . 4316 1 198 . 1 1 19 19 GLY N N 15 106.7 . . 1 . . . . . . . . 4316 1 199 . 1 1 19 19 GLY H H 1 8.39 . . 1 . . . . . . . . 4316 1 200 . 1 1 19 19 GLY CA C 13 46.8 . . 1 . . . . . . . . 4316 1 201 . 1 1 19 19 GLY HA2 H 1 3.84 . . 1 . . . . . . . . 4316 1 202 . 1 1 19 19 GLY HA3 H 1 3.84 . . 1 . . . . . . . . 4316 1 203 . 1 1 20 20 ALA N N 15 123.4 . . 1 . . . . . . . . 4316 1 204 . 1 1 20 20 ALA H H 1 8.20 . . 1 . . . . . . . . 4316 1 205 . 1 1 20 20 ALA CA C 13 54.6 . . 1 . . . . . . . . 4316 1 206 . 1 1 20 20 ALA HA H 1 4.08 . . 1 . . . . . . . . 4316 1 207 . 1 1 20 20 ALA HB1 H 1 1.47 . . 1 . . . . . . . . 4316 1 208 . 1 1 20 20 ALA HB2 H 1 1.47 . . 1 . . . . . . . . 4316 1 209 . 1 1 20 20 ALA HB3 H 1 1.47 . . 1 . . . . . . . . 4316 1 210 . 1 1 20 20 ALA CB C 13 18.1 . . 1 . . . . . . . . 4316 1 211 . 1 1 21 21 ALA N N 15 119.8 . . 1 . . . . . . . . 4316 1 212 . 1 1 21 21 ALA H H 1 7.96 . . 1 . . . . . . . . 4316 1 213 . 1 1 21 21 ALA CA C 13 54.2 . . 1 . . . . . . . . 4316 1 214 . 1 1 21 21 ALA HA H 1 4.15 . . 1 . . . . . . . . 4316 1 215 . 1 1 21 21 ALA HB1 H 1 1.48 . . 1 . . . . . . . . 4316 1 216 . 1 1 21 21 ALA HB2 H 1 1.48 . . 1 . . . . . . . . 4316 1 217 . 1 1 21 21 ALA HB3 H 1 1.48 . . 1 . . . . . . . . 4316 1 218 . 1 1 21 21 ALA CB C 13 18.3 . . 1 . . . . . . . . 4316 1 219 . 1 1 22 22 MET N N 15 117.6 . . 1 . . . . . . . . 4316 1 220 . 1 1 22 22 MET H H 1 7.94 . . 1 . . . . . . . . 4316 1 221 . 1 1 22 22 MET CA C 13 58.1 . . 1 . . . . . . . . 4316 1 222 . 1 1 22 22 MET HA H 1 4.25 . . 1 . . . . . . . . 4316 1 223 . 1 1 22 22 MET CB C 13 32.7 . . 1 . . . . . . . . 4316 1 224 . 1 1 22 22 MET HB2 H 1 2.25 . . 2 . . . . . . . . 4316 1 225 . 1 1 22 22 MET HB3 H 1 2.15 . . 2 . . . . . . . . 4316 1 226 . 1 1 22 22 MET CG C 13 32.4 . . 1 . . . . . . . . 4316 1 227 . 1 1 22 22 MET HG2 H 1 2.70 . . 2 . . . . . . . . 4316 1 228 . 1 1 22 22 MET HG3 H 1 2.56 . . 2 . . . . . . . . 4316 1 229 . 1 1 22 22 MET HE1 H 1 2.06 . . 1 . . . . . . . . 4316 1 230 . 1 1 22 22 MET HE2 H 1 2.06 . . 1 . . . . . . . . 4316 1 231 . 1 1 22 22 MET HE3 H 1 2.06 . . 1 . . . . . . . . 4316 1 232 . 1 1 22 22 MET CE C 13 17.2 . . 1 . . . . . . . . 4316 1 233 . 1 1 23 23 ILE N N 15 117.6 . . 1 . . . . . . . . 4316 1 234 . 1 1 23 23 ILE H H 1 7.83 . . 1 . . . . . . . . 4316 1 235 . 1 1 23 23 ILE CA C 13 62.9 . . 1 . . . . . . . . 4316 1 236 . 1 1 23 23 ILE HA H 1 3.94 . . 1 . . . . . . . . 4316 1 237 . 1 1 23 23 ILE CB C 13 37.8 . . 1 . . . . . . . . 4316 1 238 . 1 1 23 23 ILE HB H 1 1.98 . . 1 . . . . . . . . 4316 1 239 . 1 1 23 23 ILE HG21 H 1 0.94 . . 1 . . . . . . . . 4316 1 240 . 1 1 23 23 ILE HG22 H 1 0.94 . . 1 . . . . . . . . 4316 1 241 . 1 1 23 23 ILE HG23 H 1 0.94 . . 1 . . . . . . . . 4316 1 242 . 1 1 23 23 ILE CG2 C 13 17.8 . . 1 . . . . . . . . 4316 1 243 . 1 1 23 23 ILE CG1 C 13 28.4 . . 1 . . . . . . . . 4316 1 244 . 1 1 23 23 ILE HG12 H 1 1.61 . . 2 . . . . . . . . 4316 1 245 . 1 1 23 23 ILE HG13 H 1 1.27 . . 2 . . . . . . . . 4316 1 246 . 1 1 23 23 ILE HD11 H 1 0.86 . . 1 . . . . . . . . 4316 1 247 . 1 1 23 23 ILE HD12 H 1 0.86 . . 1 . . . . . . . . 4316 1 248 . 1 1 23 23 ILE HD13 H 1 0.86 . . 1 . . . . . . . . 4316 1 249 . 1 1 23 23 ILE CD1 C 13 13.2 . . 1 . . . . . . . . 4316 1 250 . 1 1 24 24 ALA N N 15 122.4 . . 1 . . . . . . . . 4316 1 251 . 1 1 24 24 ALA H H 1 7.83 . . 1 . . . . . . . . 4316 1 252 . 1 1 24 24 ALA CA C 13 53.7 . . 1 . . . . . . . . 4316 1 253 . 1 1 24 24 ALA HA H 1 4.21 . . 1 . . . . . . . . 4316 1 254 . 1 1 24 24 ALA HB1 H 1 1.47 . . 1 . . . . . . . . 4316 1 255 . 1 1 24 24 ALA HB2 H 1 1.47 . . 1 . . . . . . . . 4316 1 256 . 1 1 24 24 ALA HB3 H 1 1.47 . . 1 . . . . . . . . 4316 1 257 . 1 1 24 24 ALA CB C 13 18.6 . . 1 . . . . . . . . 4316 1 258 . 1 1 25 25 GLY N N 15 105.6 . . 1 . . . . . . . . 4316 1 259 . 1 1 25 25 GLY H H 1 7.92 . . 1 . . . . . . . . 4316 1 260 . 1 1 25 25 GLY CA C 13 45.6 . . 1 . . . . . . . . 4316 1 261 . 1 1 25 25 GLY HA2 H 1 4.03 . . 2 . . . . . . . . 4316 1 262 . 1 1 25 25 GLY HA3 H 1 3.91 . . 2 . . . . . . . . 4316 1 263 . 1 1 26 26 ILE N N 15 119.1 . . 1 . . . . . . . . 4316 1 264 . 1 1 26 26 ILE H H 1 7.64 . . 1 . . . . . . . . 4316 1 265 . 1 1 26 26 ILE CA C 13 61.8 . . 1 . . . . . . . . 4316 1 266 . 1 1 26 26 ILE HA H 1 4.18 . . 1 . . . . . . . . 4316 1 267 . 1 1 26 26 ILE CB C 13 38.8 . . 1 . . . . . . . . 4316 1 268 . 1 1 26 26 ILE HB H 1 1.96 . . 1 . . . . . . . . 4316 1 269 . 1 1 26 26 ILE HG21 H 1 0.95 . . 1 . . . . . . . . 4316 1 270 . 1 1 26 26 ILE HG22 H 1 0.95 . . 1 . . . . . . . . 4316 1 271 . 1 1 26 26 ILE HG23 H 1 0.95 . . 1 . . . . . . . . 4316 1 272 . 1 1 26 26 ILE CG2 C 13 17.5 . . 1 . . . . . . . . 4316 1 273 . 1 1 26 26 ILE CG1 C 13 27.5 . . 1 . . . . . . . . 4316 1 274 . 1 1 26 26 ILE HG12 H 1 1.61 . . 2 . . . . . . . . 4316 1 275 . 1 1 26 26 ILE HG13 H 1 1.26 . . 2 . . . . . . . . 4316 1 276 . 1 1 26 26 ILE HD11 H 1 0.88 . . 1 . . . . . . . . 4316 1 277 . 1 1 26 26 ILE HD12 H 1 0.88 . . 1 . . . . . . . . 4316 1 278 . 1 1 26 26 ILE HD13 H 1 0.88 . . 1 . . . . . . . . 4316 1 279 . 1 1 26 26 ILE CD1 C 13 13.6 . . 1 . . . . . . . . 4316 1 280 . 1 1 27 27 GLY N N 15 110.2 . . 1 . . . . . . . . 4316 1 281 . 1 1 27 27 GLY H H 1 7.97 . . 1 . . . . . . . . 4316 1 282 . 1 1 27 27 GLY CA C 13 45.3 . . 1 . . . . . . . . 4316 1 283 . 1 1 27 27 GLY HA2 H 1 4.08 . . 1 . . . . . . . . 4316 1 284 . 1 1 27 27 GLY HA3 H 1 4.08 . . 1 . . . . . . . . 4316 1 285 . 1 1 28 28 PRO CD C 13 50.0 . . 1 . . . . . . . . 4316 1 286 . 1 1 28 28 PRO CA C 13 63.8 . . 1 . . . . . . . . 4316 1 287 . 1 1 28 28 PRO HA H 1 4.45 . . 1 . . . . . . . . 4316 1 288 . 1 1 28 28 PRO CB C 13 31.9 . . 1 . . . . . . . . 4316 1 289 . 1 1 28 28 PRO HB2 H 1 2.28 . . 2 . . . . . . . . 4316 1 290 . 1 1 28 28 PRO HB3 H 1 1.96 . . 2 . . . . . . . . 4316 1 291 . 1 1 28 28 PRO CG C 13 27.2 . . 1 . . . . . . . . 4316 1 292 . 1 1 28 28 PRO HG2 H 1 2.01 . . 2 . . . . . . . . 4316 1 293 . 1 1 28 28 PRO HG3 H 1 2.00 . . 2 . . . . . . . . 4316 1 294 . 1 1 28 28 PRO HD2 H 1 3.68 . . 2 . . . . . . . . 4316 1 295 . 1 1 28 28 PRO HD3 H 1 3.62 . . 2 . . . . . . . . 4316 1 296 . 1 1 29 29 GLY N N 15 109.1 . . 1 . . . . . . . . 4316 1 297 . 1 1 29 29 GLY H H 1 8.35 . . 1 . . . . . . . . 4316 1 298 . 1 1 29 29 GLY CA C 13 45.6 . . 1 . . . . . . . . 4316 1 299 . 1 1 29 29 GLY HA2 H 1 4.00 . . 2 . . . . . . . . 4316 1 300 . 1 1 29 29 GLY HA3 H 1 3.94 . . 2 . . . . . . . . 4316 1 301 . 1 1 30 30 VAL N N 15 119.2 . . 1 . . . . . . . . 4316 1 302 . 1 1 30 30 VAL H H 1 7.78 . . 1 . . . . . . . . 4316 1 303 . 1 1 30 30 VAL CA C 13 63.3 . . 1 . . . . . . . . 4316 1 304 . 1 1 30 30 VAL HA H 1 4.08 . . 1 . . . . . . . . 4316 1 305 . 1 1 30 30 VAL CB C 13 32.2 . . 1 . . . . . . . . 4316 1 306 . 1 1 30 30 VAL HB H 1 2.18 . . 1 . . . . . . . . 4316 1 307 . 1 1 30 30 VAL HG11 H 1 1.00 . . 2 . . . . . . . . 4316 1 308 . 1 1 30 30 VAL HG12 H 1 1.00 . . 2 . . . . . . . . 4316 1 309 . 1 1 30 30 VAL HG13 H 1 1.00 . . 2 . . . . . . . . 4316 1 310 . 1 1 30 30 VAL HG21 H 1 0.97 . . 2 . . . . . . . . 4316 1 311 . 1 1 30 30 VAL HG22 H 1 0.97 . . 2 . . . . . . . . 4316 1 312 . 1 1 30 30 VAL HG23 H 1 0.97 . . 2 . . . . . . . . 4316 1 313 . 1 1 30 30 VAL CG1 C 13 21.1 . . 1 . . . . . . . . 4316 1 314 . 1 1 30 30 VAL CG2 C 13 21.2 . . 1 . . . . . . . . 4316 1 315 . 1 1 31 31 GLY N N 15 110.8 . . 1 . . . . . . . . 4316 1 316 . 1 1 31 31 GLY H H 1 8.41 . . 1 . . . . . . . . 4316 1 317 . 1 1 31 31 GLY CA C 13 45.8 . . 1 . . . . . . . . 4316 1 318 . 1 1 31 31 GLY HA2 H 1 4.08 . . 2 . . . . . . . . 4316 1 319 . 1 1 31 31 GLY HA3 H 1 3.90 . . 2 . . . . . . . . 4316 1 320 . 1 1 32 32 GLN N N 15 118.5 . . 1 . . . . . . . . 4316 1 321 . 1 1 32 32 GLN H H 1 8.07 . . 1 . . . . . . . . 4316 1 322 . 1 1 32 32 GLN CA C 13 56.4 . . 1 . . . . . . . . 4316 1 323 . 1 1 32 32 GLN HA H 1 4.27 . . 1 . . . . . . . . 4316 1 324 . 1 1 32 32 GLN CB C 13 28.9 . . 1 . . . . . . . . 4316 1 325 . 1 1 32 32 GLN HB2 H 1 2.19 . . 2 . . . . . . . . 4316 1 326 . 1 1 32 32 GLN HB3 H 1 1.97 . . 2 . . . . . . . . 4316 1 327 . 1 1 32 32 GLN CG C 13 33.9 . . 1 . . . . . . . . 4316 1 328 . 1 1 32 32 GLN HG2 H 1 2.37 . . 2 . . . . . . . . 4316 1 329 . 1 1 32 32 GLN HG3 H 1 2.33 . . 2 . . . . . . . . 4316 1 330 . 1 1 32 32 GLN HE21 H 1 6.76 . . 2 . . . . . . . . 4316 1 331 . 1 1 32 32 GLN HE22 H 1 7.43 . . 2 . . . . . . . . 4316 1 332 . 1 1 33 33 GLY N N 15 108.8 . . 1 . . . . . . . . 4316 1 333 . 1 1 33 33 GLY H H 1 8.32 . . 1 . . . . . . . . 4316 1 334 . 1 1 33 33 GLY CA C 13 45.8 . . 1 . . . . . . . . 4316 1 335 . 1 1 33 33 GLY HA2 H 1 3.99 . . 2 . . . . . . . . 4316 1 336 . 1 1 33 33 GLY HA3 H 1 3.92 . . 2 . . . . . . . . 4316 1 337 . 1 1 34 34 TYR N N 15 121.1 . . 1 . . . . . . . . 4316 1 338 . 1 1 34 34 TYR H H 1 7.97 . . 1 . . . . . . . . 4316 1 339 . 1 1 34 34 TYR CA C 13 59.9 . . 1 . . . . . . . . 4316 1 340 . 1 1 34 34 TYR HA H 1 4.35 . . 1 . . . . . . . . 4316 1 341 . 1 1 34 34 TYR CB C 13 38.9 . . 1 . . . . . . . . 4316 1 342 . 1 1 34 34 TYR HB2 H 1 3.04 . . 2 . . . . . . . . 4316 1 343 . 1 1 34 34 TYR HB3 H 1 3.01 . . 2 . . . . . . . . 4316 1 344 . 1 1 34 34 TYR HD1 H 1 7.10 . . 1 . . . . . . . . 4316 1 345 . 1 1 34 34 TYR HD2 H 1 7.10 . . 1 . . . . . . . . 4316 1 346 . 1 1 34 34 TYR HE1 H 1 6.79 . . 1 . . . . . . . . 4316 1 347 . 1 1 34 34 TYR HE2 H 1 6.79 . . 1 . . . . . . . . 4316 1 348 . 1 1 35 35 ALA N N 15 123.1 . . 1 . . . . . . . . 4316 1 349 . 1 1 35 35 ALA H H 1 8.22 . . 1 . . . . . . . . 4316 1 350 . 1 1 35 35 ALA CA C 13 53.7 . . 1 . . . . . . . . 4316 1 351 . 1 1 35 35 ALA HA H 1 4.11 . . 1 . . . . . . . . 4316 1 352 . 1 1 35 35 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 4316 1 353 . 1 1 35 35 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 4316 1 354 . 1 1 35 35 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 4316 1 355 . 1 1 35 35 ALA CB C 13 18.6 . . 1 . . . . . . . . 4316 1 356 . 1 1 36 36 ALA N N 15 121.1 . . 1 . . . . . . . . 4316 1 357 . 1 1 36 36 ALA H H 1 7.97 . . 1 . . . . . . . . 4316 1 358 . 1 1 36 36 ALA CA C 13 54.2 . . 1 . . . . . . . . 4316 1 359 . 1 1 36 36 ALA HA H 1 4.09 . . 1 . . . . . . . . 4316 1 360 . 1 1 36 36 ALA HB1 H 1 1.40 . . 1 . . . . . . . . 4316 1 361 . 1 1 36 36 ALA HB2 H 1 1.40 . . 1 . . . . . . . . 4316 1 362 . 1 1 36 36 ALA HB3 H 1 1.40 . . 1 . . . . . . . . 4316 1 363 . 1 1 36 36 ALA CB C 13 18.5 . . 1 . . . . . . . . 4316 1 364 . 1 1 37 37 GLY N N 15 106.2 . . 1 . . . . . . . . 4316 1 365 . 1 1 37 37 GLY H H 1 8.15 . . 1 . . . . . . . . 4316 1 366 . 1 1 37 37 GLY CA C 13 46.3 . . 1 . . . . . . . . 4316 1 367 . 1 1 37 37 GLY HA2 H 1 3.85 . . 2 . . . . . . . . 4316 1 368 . 1 1 37 37 GLY HA3 H 1 3.83 . . 2 . . . . . . . . 4316 1 369 . 1 1 38 38 LYS N N 15 120.4 . . 1 . . . . . . . . 4316 1 370 . 1 1 38 38 LYS H H 1 7.78 . . 1 . . . . . . . . 4316 1 371 . 1 1 38 38 LYS CA C 13 57.3 . . 1 . . . . . . . . 4316 1 372 . 1 1 38 38 LYS HA H 1 4.19 . . 1 . . . . . . . . 4316 1 373 . 1 1 38 38 LYS CB C 13 32.4 . . 1 . . . . . . . . 4316 1 374 . 1 1 38 38 LYS HB2 H 1 1.81 . . 1 . . . . . . . . 4316 1 375 . 1 1 38 38 LYS HB3 H 1 1.81 . . 1 . . . . . . . . 4316 1 376 . 1 1 38 38 LYS CG C 13 24.7 . . 1 . . . . . . . . 4316 1 377 . 1 1 38 38 LYS HG2 H 1 1.38 . . 1 . . . . . . . . 4316 1 378 . 1 1 38 38 LYS HG3 H 1 1.38 . . 1 . . . . . . . . 4316 1 379 . 1 1 38 38 LYS CD C 13 28.5 . . 1 . . . . . . . . 4316 1 380 . 1 1 38 38 LYS HD2 H 1 1.64 . . 2 . . . . . . . . 4316 1 381 . 1 1 38 38 LYS HD3 H 1 1.62 . . 2 . . . . . . . . 4316 1 382 . 1 1 38 38 LYS CE C 13 42.2 . . 1 . . . . . . . . 4316 1 383 . 1 1 38 38 LYS HE2 H 1 2.96 . . 2 . . . . . . . . 4316 1 384 . 1 1 38 38 LYS HE3 H 1 2.91 . . 2 . . . . . . . . 4316 1 385 . 1 1 39 39 ALA N N 15 123.1 . . 1 . . . . . . . . 4316 1 386 . 1 1 39 39 ALA H H 1 8.19 . . 1 . . . . . . . . 4316 1 387 . 1 1 39 39 ALA CA C 13 54.4 . . 1 . . . . . . . . 4316 1 388 . 1 1 39 39 ALA HA H 1 4.19 . . 1 . . . . . . . . 4316 1 389 . 1 1 39 39 ALA HB1 H 1 1.47 . . 1 . . . . . . . . 4316 1 390 . 1 1 39 39 ALA HB2 H 1 1.47 . . 1 . . . . . . . . 4316 1 391 . 1 1 39 39 ALA HB3 H 1 1.47 . . 1 . . . . . . . . 4316 1 392 . 1 1 39 39 ALA CB C 13 18.6 . . 1 . . . . . . . . 4316 1 393 . 1 1 40 40 VAL N N 15 116.7 . . 1 . . . . . . . . 4316 1 394 . 1 1 40 40 VAL H H 1 7.88 . . 1 . . . . . . . . 4316 1 395 . 1 1 40 40 VAL CA C 13 64.8 . . 1 . . . . . . . . 4316 1 396 . 1 1 40 40 VAL HA H 1 3.81 . . 1 . . . . . . . . 4316 1 397 . 1 1 40 40 VAL CB C 13 31.9 . . 1 . . . . . . . . 4316 1 398 . 1 1 40 40 VAL HB H 1 2.17 . . 1 . . . . . . . . 4316 1 399 . 1 1 40 40 VAL HG11 H 1 1.04 . . 2 . . . . . . . . 4316 1 400 . 1 1 40 40 VAL HG12 H 1 1.04 . . 2 . . . . . . . . 4316 1 401 . 1 1 40 40 VAL HG13 H 1 1.04 . . 2 . . . . . . . . 4316 1 402 . 1 1 40 40 VAL HG21 H 1 0.97 . . 2 . . . . . . . . 4316 1 403 . 1 1 40 40 VAL HG22 H 1 0.97 . . 2 . . . . . . . . 4316 1 404 . 1 1 40 40 VAL HG23 H 1 0.97 . . 2 . . . . . . . . 4316 1 405 . 1 1 40 40 VAL CG1 C 13 21.9 . . 1 . . . . . . . . 4316 1 406 . 1 1 40 40 VAL CG2 C 13 21.2 . . 1 . . . . . . . . 4316 1 407 . 1 1 41 41 GLU N N 15 119.0 . . 1 . . . . . . . . 4316 1 408 . 1 1 41 41 GLU H H 1 7.97 . . 1 . . . . . . . . 4316 1 409 . 1 1 41 41 GLU CA C 13 58.1 . . 1 . . . . . . . . 4316 1 410 . 1 1 41 41 GLU HA H 1 4.14 . . 1 . . . . . . . . 4316 1 411 . 1 1 41 41 GLU CB C 13 29.5 . . 1 . . . . . . . . 4316 1 412 . 1 1 41 41 GLU HB2 H 1 2.10 . . 2 . . . . . . . . 4316 1 413 . 1 1 41 41 GLU HB3 H 1 2.08 . . 2 . . . . . . . . 4316 1 414 . 1 1 41 41 GLU CG C 13 35.8 . . 1 . . . . . . . . 4316 1 415 . 1 1 41 41 GLU HG2 H 1 2.38 . . 2 . . . . . . . . 4316 1 416 . 1 1 41 41 GLU HG3 H 1 2.30 . . 2 . . . . . . . . 4316 1 417 . 1 1 42 42 SER N N 15 114.0 . . 1 . . . . . . . . 4316 1 418 . 1 1 42 42 SER H H 1 7.87 . . 1 . . . . . . . . 4316 1 419 . 1 1 42 42 SER CA C 13 60.2 . . 1 . . . . . . . . 4316 1 420 . 1 1 42 42 SER HA H 1 4.36 . . 1 . . . . . . . . 4316 1 421 . 1 1 42 42 SER CB C 13 63.8 . . 1 . . . . . . . . 4316 1 422 . 1 1 42 42 SER HB2 H 1 3.97 . . 2 . . . . . . . . 4316 1 423 . 1 1 42 42 SER HB3 H 1 3.93 . . 2 . . . . . . . . 4316 1 424 . 1 1 43 43 VAL N N 15 119.5 . . 1 . . . . . . . . 4316 1 425 . 1 1 43 43 VAL H H 1 7.69 . . 1 . . . . . . . . 4316 1 426 . 1 1 43 43 VAL CA C 13 63.1 . . 1 . . . . . . . . 4316 1 427 . 1 1 43 43 VAL HA H 1 4.07 . . 1 . . . . . . . . 4316 1 428 . 1 1 43 43 VAL CB C 13 32.1 . . 1 . . . . . . . . 4316 1 429 . 1 1 43 43 VAL HB H 1 2.18 . . 1 . . . . . . . . 4316 1 430 . 1 1 43 43 VAL HG11 H 1 0.99 . . 2 . . . . . . . . 4316 1 431 . 1 1 43 43 VAL HG12 H 1 0.99 . . 2 . . . . . . . . 4316 1 432 . 1 1 43 43 VAL HG13 H 1 0.99 . . 2 . . . . . . . . 4316 1 433 . 1 1 43 43 VAL HG21 H 1 0.97 . . 2 . . . . . . . . 4316 1 434 . 1 1 43 43 VAL HG22 H 1 0.97 . . 2 . . . . . . . . 4316 1 435 . 1 1 43 43 VAL HG23 H 1 0.97 . . 2 . . . . . . . . 4316 1 436 . 1 1 43 43 VAL CG1 C 13 21.4 . . 1 . . . . . . . . 4316 1 437 . 1 1 43 43 VAL CG2 C 13 21.4 . . 1 . . . . . . . . 4316 1 438 . 1 1 44 44 ALA N N 15 124.3 . . 1 . . . . . . . . 4316 1 439 . 1 1 44 44 ALA H H 1 7.99 . . 1 . . . . . . . . 4316 1 440 . 1 1 44 44 ALA CA C 13 52.8 . . 1 . . . . . . . . 4316 1 441 . 1 1 44 44 ALA HA H 1 4.29 . . 1 . . . . . . . . 4316 1 442 . 1 1 44 44 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 4316 1 443 . 1 1 44 44 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 4316 1 444 . 1 1 44 44 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 4316 1 445 . 1 1 44 44 ALA CB C 13 19.1 . . 1 . . . . . . . . 4316 1 446 . 1 1 45 45 ARG N N 15 117.6 . . 1 . . . . . . . . 4316 1 447 . 1 1 45 45 ARG H H 1 7.74 . . 1 . . . . . . . . 4316 1 448 . 1 1 45 45 ARG CA C 13 55.8 . . 1 . . . . . . . . 4316 1 449 . 1 1 45 45 ARG HA H 1 4.34 . . 1 . . . . . . . . 4316 1 450 . 1 1 45 45 ARG CB C 13 30.9 . . 1 . . . . . . . . 4316 1 451 . 1 1 45 45 ARG HB2 H 1 1.89 . . 2 . . . . . . . . 4316 1 452 . 1 1 45 45 ARG HB3 H 1 1.79 . . 2 . . . . . . . . 4316 1 453 . 1 1 45 45 ARG CG C 13 27.2 . . 1 . . . . . . . . 4316 1 454 . 1 1 45 45 ARG HG2 H 1 1.69 . . 2 . . . . . . . . 4316 1 455 . 1 1 45 45 ARG HG3 H 1 1.66 . . 2 . . . . . . . . 4316 1 456 . 1 1 45 45 ARG CD C 13 43.5 . . 1 . . . . . . . . 4316 1 457 . 1 1 45 45 ARG HD2 H 1 3.19 . . 1 . . . . . . . . 4316 1 458 . 1 1 45 45 ARG HD3 H 1 3.19 . . 1 . . . . . . . . 4316 1 459 . 1 1 45 45 ARG HE H 1 7.18 . . 1 . . . . . . . . 4316 1 460 . 1 1 46 46 GLN N N 15 120.4 . . 1 . . . . . . . . 4316 1 461 . 1 1 46 46 GLN H H 1 8.11 . . 1 . . . . . . . . 4316 1 462 . 1 1 46 46 GLN CA C 13 53.8 . . 1 . . . . . . . . 4316 1 463 . 1 1 46 46 GLN HA H 1 4.59 . . 1 . . . . . . . . 4316 1 464 . 1 1 46 46 GLN CB C 13 28.7 . . 1 . . . . . . . . 4316 1 465 . 1 1 46 46 GLN HB2 H 1 2.15 . . 2 . . . . . . . . 4316 1 466 . 1 1 46 46 GLN HB3 H 1 1.99 . . 2 . . . . . . . . 4316 1 467 . 1 1 46 46 GLN CG C 13 33.6 . . 1 . . . . . . . . 4316 1 468 . 1 1 46 46 GLN HG2 H 1 2.40 . . 1 . . . . . . . . 4316 1 469 . 1 1 46 46 GLN HG3 H 1 2.40 . . 1 . . . . . . . . 4316 1 470 . 1 1 46 46 GLN HE21 H 1 6.72 . . 2 . . . . . . . . 4316 1 471 . 1 1 46 46 GLN HE22 H 1 7.46 . . 2 . . . . . . . . 4316 1 472 . 1 1 47 47 PRO CD C 13 50.4 . . 1 . . . . . . . . 4316 1 473 . 1 1 47 47 PRO CA C 13 63.9 . . 1 . . . . . . . . 4316 1 474 . 1 1 47 47 PRO HA H 1 4.41 . . 1 . . . . . . . . 4316 1 475 . 1 1 47 47 PRO CB C 13 31.9 . . 1 . . . . . . . . 4316 1 476 . 1 1 47 47 PRO HB2 H 1 2.31 . . 2 . . . . . . . . 4316 1 477 . 1 1 47 47 PRO HB3 H 1 1.96 . . 2 . . . . . . . . 4316 1 478 . 1 1 47 47 PRO CG C 13 27.5 . . 1 . . . . . . . . 4316 1 479 . 1 1 47 47 PRO HG2 H 1 2.06 . . 2 . . . . . . . . 4316 1 480 . 1 1 47 47 PRO HG3 H 1 2.00 . . 2 . . . . . . . . 4316 1 481 . 1 1 47 47 PRO HD2 H 1 3.74 . . 1 . . . . . . . . 4316 1 482 . 1 1 47 47 PRO HD3 H 1 3.74 . . 1 . . . . . . . . 4316 1 483 . 1 1 48 48 GLU N N 15 119.1 . . 1 . . . . . . . . 4316 1 484 . 1 1 48 48 GLU H H 1 8.47 . . 1 . . . . . . . . 4316 1 485 . 1 1 48 48 GLU CA C 13 56.9 . . 1 . . . . . . . . 4316 1 486 . 1 1 48 48 GLU HA H 1 4.25 . . 1 . . . . . . . . 4316 1 487 . 1 1 48 48 GLU CB C 13 29.7 . . 1 . . . . . . . . 4316 1 488 . 1 1 48 48 GLU HB2 H 1 2.08 . . 2 . . . . . . . . 4316 1 489 . 1 1 48 48 GLU HB3 H 1 1.98 . . 2 . . . . . . . . 4316 1 490 . 1 1 48 48 GLU CG C 13 35.9 . . 1 . . . . . . . . 4316 1 491 . 1 1 48 48 GLU HG2 H 1 2.30 . . 1 . . . . . . . . 4316 1 492 . 1 1 48 48 GLU HG3 H 1 2.30 . . 1 . . . . . . . . 4316 1 493 . 1 1 49 49 ALA N N 15 123.4 . . 1 . . . . . . . . 4316 1 494 . 1 1 49 49 ALA H H 1 8.01 . . 1 . . . . . . . . 4316 1 495 . 1 1 49 49 ALA CA C 13 52.4 . . 1 . . . . . . . . 4316 1 496 . 1 1 49 49 ALA HA H 1 4.38 . . 1 . . . . . . . . 4316 1 497 . 1 1 49 49 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 4316 1 498 . 1 1 49 49 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 4316 1 499 . 1 1 49 49 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 4316 1 500 . 1 1 49 49 ALA CB C 13 19.3 . . 1 . . . . . . . . 4316 1 501 . 1 1 50 50 LYS N N 15 119.5 . . 1 . . . . . . . . 4316 1 502 . 1 1 50 50 LYS H H 1 8.06 . . 1 . . . . . . . . 4316 1 503 . 1 1 50 50 LYS CA C 13 57.3 . . 1 . . . . . . . . 4316 1 504 . 1 1 50 50 LYS HA H 1 4.22 . . 1 . . . . . . . . 4316 1 505 . 1 1 50 50 LYS CB C 13 32.7 . . 1 . . . . . . . . 4316 1 506 . 1 1 50 50 LYS HB2 H 1 1.88 . . 2 . . . . . . . . 4316 1 507 . 1 1 50 50 LYS HB3 H 1 1.83 . . 2 . . . . . . . . 4316 1 508 . 1 1 50 50 LYS CG C 13 24.8 . . 1 . . . . . . . . 4316 1 509 . 1 1 50 50 LYS HG2 H 1 1.50 . . 2 . . . . . . . . 4316 1 510 . 1 1 50 50 LYS HG3 H 1 1.46 . . 2 . . . . . . . . 4316 1 511 . 1 1 50 50 LYS CD C 13 29.0 . . 1 . . . . . . . . 4316 1 512 . 1 1 50 50 LYS HD2 H 1 1.72 . . 1 . . . . . . . . 4316 1 513 . 1 1 50 50 LYS HD3 H 1 1.72 . . 1 . . . . . . . . 4316 1 514 . 1 1 50 50 LYS CE C 13 42.1 . . 1 . . . . . . . . 4316 1 515 . 1 1 50 50 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 4316 1 516 . 1 1 50 50 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 4316 1 517 . 1 1 51 51 GLY N N 15 108.8 . . 1 . . . . . . . . 4316 1 518 . 1 1 51 51 GLY H H 1 8.33 . . 1 . . . . . . . . 4316 1 519 . 1 1 51 51 GLY CA C 13 46.0 . . 1 . . . . . . . . 4316 1 520 . 1 1 51 51 GLY HA2 H 1 4.02 . . 2 . . . . . . . . 4316 1 521 . 1 1 51 51 GLY HA3 H 1 3.94 . . 2 . . . . . . . . 4316 1 522 . 1 1 52 52 ASP N N 15 120.1 . . 1 . . . . . . . . 4316 1 523 . 1 1 52 52 ASP H H 1 8.15 . . 1 . . . . . . . . 4316 1 524 . 1 1 52 52 ASP CA C 13 55.5 . . 1 . . . . . . . . 4316 1 525 . 1 1 52 52 ASP HA H 1 4.63 . . 1 . . . . . . . . 4316 1 526 . 1 1 52 52 ASP CB C 13 40.6 . . 1 . . . . . . . . 4316 1 527 . 1 1 52 52 ASP HB2 H 1 2.73 . . 1 . . . . . . . . 4316 1 528 . 1 1 52 52 ASP HB3 H 1 2.73 . . 1 . . . . . . . . 4316 1 529 . 1 1 53 53 ILE N N 15 121.2 . . 1 . . . . . . . . 4316 1 530 . 1 1 53 53 ILE H H 1 8.12 . . 1 . . . . . . . . 4316 1 531 . 1 1 53 53 ILE CA C 13 64.1 . . 1 . . . . . . . . 4316 1 532 . 1 1 53 53 ILE HA H 1 3.89 . . 1 . . . . . . . . 4316 1 533 . 1 1 53 53 ILE CB C 13 37.8 . . 1 . . . . . . . . 4316 1 534 . 1 1 53 53 ILE HB H 1 2.03 . . 1 . . . . . . . . 4316 1 535 . 1 1 53 53 ILE HG21 H 1 0.92 . . 1 . . . . . . . . 4316 1 536 . 1 1 53 53 ILE HG22 H 1 0.92 . . 1 . . . . . . . . 4316 1 537 . 1 1 53 53 ILE HG23 H 1 0.92 . . 1 . . . . . . . . 4316 1 538 . 1 1 53 53 ILE CG2 C 13 17.6 . . 1 . . . . . . . . 4316 1 539 . 1 1 53 53 ILE CG1 C 13 28.5 . . 1 . . . . . . . . 4316 1 540 . 1 1 53 53 ILE HG12 H 1 1.64 . . 2 . . . . . . . . 4316 1 541 . 1 1 53 53 ILE HG13 H 1 1.21 . . 2 . . . . . . . . 4316 1 542 . 1 1 53 53 ILE HD11 H 1 0.91 . . 1 . . . . . . . . 4316 1 543 . 1 1 53 53 ILE HD12 H 1 0.91 . . 1 . . . . . . . . 4316 1 544 . 1 1 53 53 ILE HD13 H 1 0.91 . . 1 . . . . . . . . 4316 1 545 . 1 1 53 53 ILE CD1 C 13 13.0 . . 1 . . . . . . . . 4316 1 546 . 1 1 54 54 ILE N N 15 119.6 . . 1 . . . . . . . . 4316 1 547 . 1 1 54 54 ILE H H 1 7.95 . . 1 . . . . . . . . 4316 1 548 . 1 1 54 54 ILE CA C 13 63.5 . . 1 . . . . . . . . 4316 1 549 . 1 1 54 54 ILE HA H 1 3.90 . . 1 . . . . . . . . 4316 1 550 . 1 1 54 54 ILE CB C 13 37.5 . . 1 . . . . . . . . 4316 1 551 . 1 1 54 54 ILE HB H 1 1.96 . . 1 . . . . . . . . 4316 1 552 . 1 1 54 54 ILE HG21 H 1 0.93 . . 1 . . . . . . . . 4316 1 553 . 1 1 54 54 ILE HG22 H 1 0.93 . . 1 . . . . . . . . 4316 1 554 . 1 1 54 54 ILE HG23 H 1 0.93 . . 1 . . . . . . . . 4316 1 555 . 1 1 54 54 ILE CG2 C 13 17.8 . . 1 . . . . . . . . 4316 1 556 . 1 1 54 54 ILE CG1 C 13 28.6 . . 1 . . . . . . . . 4316 1 557 . 1 1 54 54 ILE HG12 H 1 1.62 . . 2 . . . . . . . . 4316 1 558 . 1 1 54 54 ILE HG13 H 1 1.27 . . 2 . . . . . . . . 4316 1 559 . 1 1 54 54 ILE HD11 H 1 0.89 . . 1 . . . . . . . . 4316 1 560 . 1 1 54 54 ILE HD12 H 1 0.89 . . 1 . . . . . . . . 4316 1 561 . 1 1 54 54 ILE HD13 H 1 0.89 . . 1 . . . . . . . . 4316 1 562 . 1 1 54 54 ILE CD1 C 13 12.7 . . 1 . . . . . . . . 4316 1 563 . 1 1 55 55 SER N N 15 115.0 . . 1 . . . . . . . . 4316 1 564 . 1 1 55 55 SER H H 1 8.04 . . 1 . . . . . . . . 4316 1 565 . 1 1 55 55 SER CA C 13 60.6 . . 1 . . . . . . . . 4316 1 566 . 1 1 55 55 SER HA H 1 4.29 . . 1 . . . . . . . . 4316 1 567 . 1 1 55 55 SER CB C 13 63.1 . . 1 . . . . . . . . 4316 1 568 . 1 1 55 55 SER HB2 H 1 4.00 . . 2 . . . . . . . . 4316 1 569 . 1 1 55 55 SER HB3 H 1 3.94 . . 2 . . . . . . . . 4316 1 570 . 1 1 56 56 THR N N 15 115.3 . . 1 . . . . . . . . 4316 1 571 . 1 1 56 56 THR H H 1 7.84 . . 1 . . . . . . . . 4316 1 572 . 1 1 56 56 THR CA C 13 64.5 . . 1 . . . . . . . . 4316 1 573 . 1 1 56 56 THR HA H 1 4.16 . . 1 . . . . . . . . 4316 1 574 . 1 1 56 56 THR CB C 13 69.0 . . 1 . . . . . . . . 4316 1 575 . 1 1 56 56 THR HB H 1 4.33 . . 1 . . . . . . . . 4316 1 576 . 1 1 56 56 THR HG21 H 1 1.26 . . 1 . . . . . . . . 4316 1 577 . 1 1 56 56 THR HG22 H 1 1.26 . . 1 . . . . . . . . 4316 1 578 . 1 1 56 56 THR HG23 H 1 1.26 . . 1 . . . . . . . . 4316 1 579 . 1 1 56 56 THR CG2 C 13 21.8 . . 1 . . . . . . . . 4316 1 580 . 1 1 57 57 MET N N 15 121.4 . . 1 . . . . . . . . 4316 1 581 . 1 1 57 57 MET H H 1 7.97 . . 1 . . . . . . . . 4316 1 582 . 1 1 57 57 MET CA C 13 57.6 . . 1 . . . . . . . . 4316 1 583 . 1 1 57 57 MET HA H 1 4.35 . . 1 . . . . . . . . 4316 1 584 . 1 1 57 57 MET CB C 13 33.0 . . 1 . . . . . . . . 4316 1 585 . 1 1 57 57 MET HB2 H 1 2.20 . . 2 . . . . . . . . 4316 1 586 . 1 1 57 57 MET HB3 H 1 2.12 . . 2 . . . . . . . . 4316 1 587 . 1 1 57 57 MET CG C 13 32.3 . . 1 . . . . . . . . 4316 1 588 . 1 1 57 57 MET HG2 H 1 2.68 . . 2 . . . . . . . . 4316 1 589 . 1 1 57 57 MET HG3 H 1 2.55 . . 2 . . . . . . . . 4316 1 590 . 1 1 57 57 MET HE1 H 1 2.04 . . 1 . . . . . . . . 4316 1 591 . 1 1 57 57 MET HE2 H 1 2.04 . . 1 . . . . . . . . 4316 1 592 . 1 1 57 57 MET HE3 H 1 2.04 . . 1 . . . . . . . . 4316 1 593 . 1 1 57 57 MET CE C 13 17.3 . . 1 . . . . . . . . 4316 1 594 . 1 1 58 58 VAL N N 15 119.2 . . 1 . . . . . . . . 4316 1 595 . 1 1 58 58 VAL H H 1 8.04 . . 1 . . . . . . . . 4316 1 596 . 1 1 58 58 VAL CA C 13 64.5 . . 1 . . . . . . . . 4316 1 597 . 1 1 58 58 VAL HA H 1 3.96 . . 1 . . . . . . . . 4316 1 598 . 1 1 58 58 VAL CB C 13 32.0 . . 1 . . . . . . . . 4316 1 599 . 1 1 58 58 VAL HB H 1 2.20 . . 1 . . . . . . . . 4316 1 600 . 1 1 58 58 VAL HG11 H 1 1.02 . . 2 . . . . . . . . 4316 1 601 . 1 1 58 58 VAL HG12 H 1 1.02 . . 2 . . . . . . . . 4316 1 602 . 1 1 58 58 VAL HG13 H 1 1.02 . . 2 . . . . . . . . 4316 1 603 . 1 1 58 58 VAL HG21 H 1 0.97 . . 2 . . . . . . . . 4316 1 604 . 1 1 58 58 VAL HG22 H 1 0.97 . . 2 . . . . . . . . 4316 1 605 . 1 1 58 58 VAL HG23 H 1 0.97 . . 2 . . . . . . . . 4316 1 606 . 1 1 58 58 VAL CG1 C 13 21.5 . . 1 . . . . . . . . 4316 1 607 . 1 1 58 58 VAL CG2 C 13 21.2 . . 1 . . . . . . . . 4316 1 608 . 1 1 59 59 LEU N N 15 121.4 . . 1 . . . . . . . . 4316 1 609 . 1 1 59 59 LEU H H 1 7.95 . . 1 . . . . . . . . 4316 1 610 . 1 1 59 59 LEU CA C 13 56.9 . . 1 . . . . . . . . 4316 1 611 . 1 1 59 59 LEU HA H 1 4.23 . . 1 . . . . . . . . 4316 1 612 . 1 1 59 59 LEU CB C 13 42.0 . . 1 . . . . . . . . 4316 1 613 . 1 1 59 59 LEU HB2 H 1 1.81 . . 2 . . . . . . . . 4316 1 614 . 1 1 59 59 LEU HB3 H 1 1.64 . . 2 . . . . . . . . 4316 1 615 . 1 1 59 59 LEU CG C 13 27.0 . . 1 . . . . . . . . 4316 1 616 . 1 1 59 59 LEU HG H 1 1.73 . . 1 . . . . . . . . 4316 1 617 . 1 1 59 59 LEU HD11 H 1 0.95 . . 2 . . . . . . . . 4316 1 618 . 1 1 59 59 LEU HD12 H 1 0.95 . . 2 . . . . . . . . 4316 1 619 . 1 1 59 59 LEU HD13 H 1 0.95 . . 2 . . . . . . . . 4316 1 620 . 1 1 59 59 LEU HD21 H 1 0.91 . . 2 . . . . . . . . 4316 1 621 . 1 1 59 59 LEU HD22 H 1 0.91 . . 2 . . . . . . . . 4316 1 622 . 1 1 59 59 LEU HD23 H 1 0.91 . . 2 . . . . . . . . 4316 1 623 . 1 1 59 59 LEU CD1 C 13 25.0 . . 1 . . . . . . . . 4316 1 624 . 1 1 59 59 LEU CD2 C 13 23.8 . . 1 . . . . . . . . 4316 1 625 . 1 1 60 60 GLY N N 15 106.5 . . 1 . . . . . . . . 4316 1 626 . 1 1 60 60 GLY H H 1 8.20 . . 1 . . . . . . . . 4316 1 627 . 1 1 60 60 GLY CA C 13 46.6 . . 1 . . . . . . . . 4316 1 628 . 1 1 60 60 GLY HA2 H 1 3.92 . . 2 . . . . . . . . 4316 1 629 . 1 1 60 60 GLY HA3 H 1 3.84 . . 2 . . . . . . . . 4316 1 630 . 1 1 61 61 GLN N N 15 120.0 . . 1 . . . . . . . . 4316 1 631 . 1 1 61 61 GLN H H 1 7.98 . . 1 . . . . . . . . 4316 1 632 . 1 1 61 61 GLN CA C 13 57.6 . . 1 . . . . . . . . 4316 1 633 . 1 1 61 61 GLN HA H 1 4.16 . . 1 . . . . . . . . 4316 1 634 . 1 1 61 61 GLN CB C 13 28.7 . . 1 . . . . . . . . 4316 1 635 . 1 1 61 61 GLN HB2 H 1 2.18 . . 2 . . . . . . . . 4316 1 636 . 1 1 61 61 GLN HB3 H 1 2.10 . . 2 . . . . . . . . 4316 1 637 . 1 1 61 61 GLN CG C 13 33.8 . . 1 . . . . . . . . 4316 1 638 . 1 1 61 61 GLN HG2 H 1 2.40 . . 2 . . . . . . . . 4316 1 639 . 1 1 61 61 GLN HG3 H 1 2.36 . . 2 . . . . . . . . 4316 1 640 . 1 1 61 61 GLN HE21 H 1 6.67 . . 2 . . . . . . . . 4316 1 641 . 1 1 61 61 GLN HE22 H 1 7.33 . . 2 . . . . . . . . 4316 1 642 . 1 1 62 62 ALA N N 15 122.2 . . 1 . . . . . . . . 4316 1 643 . 1 1 62 62 ALA H H 1 8.02 . . 1 . . . . . . . . 4316 1 644 . 1 1 62 62 ALA CA C 13 54.2 . . 1 . . . . . . . . 4316 1 645 . 1 1 62 62 ALA HA H 1 4.23 . . 1 . . . . . . . . 4316 1 646 . 1 1 62 62 ALA HB1 H 1 1.48 . . 1 . . . . . . . . 4316 1 647 . 1 1 62 62 ALA HB2 H 1 1.48 . . 1 . . . . . . . . 4316 1 648 . 1 1 62 62 ALA HB3 H 1 1.48 . . 1 . . . . . . . . 4316 1 649 . 1 1 62 62 ALA CB C 13 18.2 . . 1 . . . . . . . . 4316 1 650 . 1 1 63 63 ILE N N 15 118.0 . . 1 . . . . . . . . 4316 1 651 . 1 1 63 63 ILE H H 1 7.95 . . 1 . . . . . . . . 4316 1 652 . 1 1 63 63 ILE CA C 13 63.2 . . 1 . . . . . . . . 4316 1 653 . 1 1 63 63 ILE HA H 1 3.90 . . 1 . . . . . . . . 4316 1 654 . 1 1 63 63 ILE CB C 13 38.1 . . 1 . . . . . . . . 4316 1 655 . 1 1 63 63 ILE HB H 1 1.93 . . 1 . . . . . . . . 4316 1 656 . 1 1 63 63 ILE HG21 H 1 0.91 . . 1 . . . . . . . . 4316 1 657 . 1 1 63 63 ILE HG22 H 1 0.91 . . 1 . . . . . . . . 4316 1 658 . 1 1 63 63 ILE HG23 H 1 0.91 . . 1 . . . . . . . . 4316 1 659 . 1 1 63 63 ILE CG2 C 13 17.5 . . 1 . . . . . . . . 4316 1 660 . 1 1 63 63 ILE CG1 C 13 28.4 . . 1 . . . . . . . . 4316 1 661 . 1 1 63 63 ILE HG12 H 1 1.64 . . 2 . . . . . . . . 4316 1 662 . 1 1 63 63 ILE HG13 H 1 1.18 . . 2 . . . . . . . . 4316 1 663 . 1 1 63 63 ILE HD11 H 1 0.86 . . 1 . . . . . . . . 4316 1 664 . 1 1 63 63 ILE HD12 H 1 0.86 . . 1 . . . . . . . . 4316 1 665 . 1 1 63 63 ILE HD13 H 1 0.86 . . 1 . . . . . . . . 4316 1 666 . 1 1 63 63 ILE CD1 C 13 13.4 . . 1 . . . . . . . . 4316 1 667 . 1 1 64 64 ALA N N 15 123.7 . . 1 . . . . . . . . 4316 1 668 . 1 1 64 64 ALA H H 1 8.08 . . 1 . . . . . . . . 4316 1 669 . 1 1 64 64 ALA CA C 13 54.0 . . 1 . . . . . . . . 4316 1 670 . 1 1 64 64 ALA HA H 1 4.15 . . 1 . . . . . . . . 4316 1 671 . 1 1 64 64 ALA HB1 H 1 1.46 . . 1 . . . . . . . . 4316 1 672 . 1 1 64 64 ALA HB2 H 1 1.46 . . 1 . . . . . . . . 4316 1 673 . 1 1 64 64 ALA HB3 H 1 1.46 . . 1 . . . . . . . . 4316 1 674 . 1 1 64 64 ALA CB C 13 18.6 . . 1 . . . . . . . . 4316 1 675 . 1 1 65 65 GLU N N 15 116.0 . . 1 . . . . . . . . 4316 1 676 . 1 1 65 65 GLU H H 1 7.98 . . 1 . . . . . . . . 4316 1 677 . 1 1 65 65 GLU CA C 13 56.9 . . 1 . . . . . . . . 4316 1 678 . 1 1 65 65 GLU HA H 1 4.24 . . 1 . . . . . . . . 4316 1 679 . 1 1 65 65 GLU CB C 13 29.5 . . 1 . . . . . . . . 4316 1 680 . 1 1 65 65 GLU HB2 H 1 2.16 . . 2 . . . . . . . . 4316 1 681 . 1 1 65 65 GLU HB3 H 1 2.03 . . 2 . . . . . . . . 4316 1 682 . 1 1 65 65 GLU CG C 13 35.7 . . 1 . . . . . . . . 4316 1 683 . 1 1 65 65 GLU HG2 H 1 2.39 . . 2 . . . . . . . . 4316 1 684 . 1 1 65 65 GLU HG3 H 1 2.31 . . 2 . . . . . . . . 4316 1 685 . 1 1 66 66 SER N N 15 115.3 . . 1 . . . . . . . . 4316 1 686 . 1 1 66 66 SER H H 1 7.88 . . 1 . . . . . . . . 4316 1 687 . 1 1 66 66 SER CA C 13 59.2 . . 1 . . . . . . . . 4316 1 688 . 1 1 66 66 SER HA H 1 4.48 . . 1 . . . . . . . . 4316 1 689 . 1 1 66 66 SER CB C 13 63.8 . . 1 . . . . . . . . 4316 1 690 . 1 1 66 66 SER HB2 H 1 3.99 . . 1 . . . . . . . . 4316 1 691 . 1 1 66 66 SER HB3 H 1 3.99 . . 1 . . . . . . . . 4316 1 692 . 1 1 67 67 THR N N 15 113.7 . . 1 . . . . . . . . 4316 1 693 . 1 1 67 67 THR H H 1 8.08 . . 1 . . . . . . . . 4316 1 694 . 1 1 67 67 THR CA C 13 62.3 . . 1 . . . . . . . . 4316 1 695 . 1 1 67 67 THR HA H 1 4.42 . . 1 . . . . . . . . 4316 1 696 . 1 1 67 67 THR CB C 13 70.0 . . 1 . . . . . . . . 4316 1 697 . 1 1 67 67 THR HB H 1 4.34 . . 1 . . . . . . . . 4316 1 698 . 1 1 67 67 THR HG21 H 1 1.27 . . 1 . . . . . . . . 4316 1 699 . 1 1 67 67 THR HG22 H 1 1.27 . . 1 . . . . . . . . 4316 1 700 . 1 1 67 67 THR HG23 H 1 1.27 . . 1 . . . . . . . . 4316 1 701 . 1 1 67 67 THR CG2 C 13 21.5 . . 1 . . . . . . . . 4316 1 702 . 1 1 68 68 GLY N N 15 110.8 . . 1 . . . . . . . . 4316 1 703 . 1 1 68 68 GLY H H 1 8.22 . . 1 . . . . . . . . 4316 1 704 . 1 1 68 68 GLY CA C 13 45.8 . . 1 . . . . . . . . 4316 1 705 . 1 1 68 68 GLY HA2 H 1 4.07 . . 2 . . . . . . . . 4316 1 706 . 1 1 68 68 GLY HA3 H 1 4.18 . . 2 . . . . . . . . 4316 1 707 . 1 1 69 69 ILE N N 15 120.8 . . 1 . . . . . . . . 4316 1 708 . 1 1 69 69 ILE H H 1 8.16 . . 1 . . . . . . . . 4316 1 709 . 1 1 69 69 ILE CA C 13 63.5 . . 1 . . . . . . . . 4316 1 710 . 1 1 69 69 ILE HA H 1 3.92 . . 1 . . . . . . . . 4316 1 711 . 1 1 69 69 ILE CB C 13 37.8 . . 1 . . . . . . . . 4316 1 712 . 1 1 69 69 ILE HB H 1 1.91 . . 1 . . . . . . . . 4316 1 713 . 1 1 69 69 ILE HG21 H 1 0.86 . . 1 . . . . . . . . 4316 1 714 . 1 1 69 69 ILE HG22 H 1 0.86 . . 1 . . . . . . . . 4316 1 715 . 1 1 69 69 ILE HG23 H 1 0.86 . . 1 . . . . . . . . 4316 1 716 . 1 1 69 69 ILE CG2 C 13 17.8 . . 1 . . . . . . . . 4316 1 717 . 1 1 69 69 ILE CG1 C 13 28.9 . . 1 . . . . . . . . 4316 1 718 . 1 1 69 69 ILE HG12 H 1 1.52 . . 2 . . . . . . . . 4316 1 719 . 1 1 69 69 ILE HG13 H 1 1.24 . . 2 . . . . . . . . 4316 1 720 . 1 1 69 69 ILE HD11 H 1 0.89 . . 1 . . . . . . . . 4316 1 721 . 1 1 69 69 ILE HD12 H 1 0.89 . . 1 . . . . . . . . 4316 1 722 . 1 1 69 69 ILE HD13 H 1 0.89 . . 1 . . . . . . . . 4316 1 723 . 1 1 69 69 ILE CD1 C 13 13.2 . . 1 . . . . . . . . 4316 1 724 . 1 1 70 70 TYR N N 15 119.9 . . 1 . . . . . . . . 4316 1 725 . 1 1 70 70 TYR H H 1 7.93 . . 1 . . . . . . . . 4316 1 726 . 1 1 70 70 TYR CA C 13 61.3 . . 1 . . . . . . . . 4316 1 727 . 1 1 70 70 TYR HA H 1 4.15 . . 1 . . . . . . . . 4316 1 728 . 1 1 70 70 TYR CB C 13 37.6 . . 1 . . . . . . . . 4316 1 729 . 1 1 70 70 TYR HB2 H 1 3.09 . . 1 . . . . . . . . 4316 1 730 . 1 1 70 70 TYR HB3 H 1 3.09 . . 1 . . . . . . . . 4316 1 731 . 1 1 70 70 TYR HD1 H 1 7.04 . . 1 . . . . . . . . 4316 1 732 . 1 1 70 70 TYR HD2 H 1 7.04 . . 1 . . . . . . . . 4316 1 733 . 1 1 70 70 TYR HE1 H 1 6.77 . . 1 . . . . . . . . 4316 1 734 . 1 1 70 70 TYR HE2 H 1 6.77 . . 1 . . . . . . . . 4316 1 735 . 1 1 71 71 SER N N 15 113.0 . . 1 . . . . . . . . 4316 1 736 . 1 1 71 71 SER H H 1 7.79 . . 1 . . . . . . . . 4316 1 737 . 1 1 71 71 SER CA C 13 62.8 . . 1 . . . . . . . . 4316 1 738 . 1 1 71 71 SER HA H 1 3.90 . . 1 . . . . . . . . 4316 1 739 . 1 1 71 71 SER CB C 13 61.6 . . 1 . . . . . . . . 4316 1 740 . 1 1 71 71 SER HB2 H 1 4.04 . . 1 . . . . . . . . 4316 1 741 . 1 1 71 71 SER HB3 H 1 4.04 . . 1 . . . . . . . . 4316 1 742 . 1 1 72 72 LEU N N 15 123.5 . . 1 . . . . . . . . 4316 1 743 . 1 1 72 72 LEU H H 1 7.61 . . 1 . . . . . . . . 4316 1 744 . 1 1 72 72 LEU CA C 13 57.9 . . 1 . . . . . . . . 4316 1 745 . 1 1 72 72 LEU HA H 1 4.19 . . 1 . . . . . . . . 4316 1 746 . 1 1 72 72 LEU CB C 13 41.8 . . 1 . . . . . . . . 4316 1 747 . 1 1 72 72 LEU HB2 H 1 1.85 . . 2 . . . . . . . . 4316 1 748 . 1 1 72 72 LEU HB3 H 1 1.80 . . 2 . . . . . . . . 4316 1 749 . 1 1 72 72 LEU CG C 13 27.0 . . 1 . . . . . . . . 4316 1 750 . 1 1 72 72 LEU HG H 1 1.71 . . 1 . . . . . . . . 4316 1 751 . 1 1 72 72 LEU HD11 H 1 0.94 . . 2 . . . . . . . . 4316 1 752 . 1 1 72 72 LEU HD12 H 1 0.94 . . 2 . . . . . . . . 4316 1 753 . 1 1 72 72 LEU HD13 H 1 0.94 . . 2 . . . . . . . . 4316 1 754 . 1 1 72 72 LEU HD21 H 1 0.90 . . 2 . . . . . . . . 4316 1 755 . 1 1 72 72 LEU HD22 H 1 0.90 . . 2 . . . . . . . . 4316 1 756 . 1 1 72 72 LEU HD23 H 1 0.90 . . 2 . . . . . . . . 4316 1 757 . 1 1 72 72 LEU CD1 C 13 24.6 . . 1 . . . . . . . . 4316 1 758 . 1 1 72 72 LEU CD2 C 13 24.4 . . 1 . . . . . . . . 4316 1 759 . 1 1 73 73 VAL N N 15 118.5 . . 1 . . . . . . . . 4316 1 760 . 1 1 73 73 VAL H H 1 8.03 . . 1 . . . . . . . . 4316 1 761 . 1 1 73 73 VAL CA C 13 67.1 . . 1 . . . . . . . . 4316 1 762 . 1 1 73 73 VAL HA H 1 3.56 . . 1 . . . . . . . . 4316 1 763 . 1 1 73 73 VAL CB C 13 31.4 . . 1 . . . . . . . . 4316 1 764 . 1 1 73 73 VAL HB H 1 2.23 . . 1 . . . . . . . . 4316 1 765 . 1 1 73 73 VAL HG11 H 1 1.06 . . 2 . . . . . . . . 4316 1 766 . 1 1 73 73 VAL HG12 H 1 1.06 . . 2 . . . . . . . . 4316 1 767 . 1 1 73 73 VAL HG13 H 1 1.06 . . 2 . . . . . . . . 4316 1 768 . 1 1 73 73 VAL HG21 H 1 0.94 . . 2 . . . . . . . . 4316 1 769 . 1 1 73 73 VAL HG22 H 1 0.94 . . 2 . . . . . . . . 4316 1 770 . 1 1 73 73 VAL HG23 H 1 0.94 . . 2 . . . . . . . . 4316 1 771 . 1 1 73 73 VAL CG1 C 13 23.2 . . 1 . . . . . . . . 4316 1 772 . 1 1 73 73 VAL CG2 C 13 21.6 . . 1 . . . . . . . . 4316 1 773 . 1 1 74 74 ILE N N 15 118.2 . . 1 . . . . . . . . 4316 1 774 . 1 1 74 74 ILE H H 1 8.05 . . 1 . . . . . . . . 4316 1 775 . 1 1 74 74 ILE CA C 13 64.5 . . 1 . . . . . . . . 4316 1 776 . 1 1 74 74 ILE HA H 1 3.65 . . 1 . . . . . . . . 4316 1 777 . 1 1 74 74 ILE CB C 13 37.1 . . 1 . . . . . . . . 4316 1 778 . 1 1 74 74 ILE HB H 1 1.83 . . 1 . . . . . . . . 4316 1 779 . 1 1 74 74 ILE HG21 H 1 0.89 . . 1 . . . . . . . . 4316 1 780 . 1 1 74 74 ILE HG22 H 1 0.89 . . 1 . . . . . . . . 4316 1 781 . 1 1 74 74 ILE HG23 H 1 0.89 . . 1 . . . . . . . . 4316 1 782 . 1 1 74 74 ILE CG2 C 13 17.6 . . 1 . . . . . . . . 4316 1 783 . 1 1 74 74 ILE CG1 C 13 28.9 . . 1 . . . . . . . . 4316 1 784 . 1 1 74 74 ILE HG12 H 1 1.49 . . 2 . . . . . . . . 4316 1 785 . 1 1 74 74 ILE HG13 H 1 1.14 . . 2 . . . . . . . . 4316 1 786 . 1 1 74 74 ILE HD11 H 1 0.75 . . 1 . . . . . . . . 4316 1 787 . 1 1 74 74 ILE HD12 H 1 0.75 . . 1 . . . . . . . . 4316 1 788 . 1 1 74 74 ILE HD13 H 1 0.75 . . 1 . . . . . . . . 4316 1 789 . 1 1 74 74 ILE CD1 C 13 12.1 . . 1 . . . . . . . . 4316 1 790 . 1 1 75 75 ALA N N 15 120.5 . . 1 . . . . . . . . 4316 1 791 . 1 1 75 75 ALA H H 1 7.63 . . 1 . . . . . . . . 4316 1 792 . 1 1 75 75 ALA CA C 13 55.2 . . 1 . . . . . . . . 4316 1 793 . 1 1 75 75 ALA HA H 1 4.04 . . 1 . . . . . . . . 4316 1 794 . 1 1 75 75 ALA HB1 H 1 1.53 . . 1 . . . . . . . . 4316 1 795 . 1 1 75 75 ALA HB2 H 1 1.53 . . 1 . . . . . . . . 4316 1 796 . 1 1 75 75 ALA HB3 H 1 1.53 . . 1 . . . . . . . . 4316 1 797 . 1 1 75 75 ALA CB C 13 17.9 . . 1 . . . . . . . . 4316 1 798 . 1 1 76 76 LEU N N 15 118.3 . . 1 . . . . . . . . 4316 1 799 . 1 1 76 76 LEU H H 1 7.98 . . 1 . . . . . . . . 4316 1 800 . 1 1 76 76 LEU CA C 13 57.9 . . 1 . . . . . . . . 4316 1 801 . 1 1 76 76 LEU HA H 1 4.18 . . 1 . . . . . . . . 4316 1 802 . 1 1 76 76 LEU CB C 13 42.1 . . 1 . . . . . . . . 4316 1 803 . 1 1 76 76 LEU HB2 H 1 2.04 . . 2 . . . . . . . . 4316 1 804 . 1 1 76 76 LEU HB3 H 1 1.67 . . 2 . . . . . . . . 4316 1 805 . 1 1 76 76 LEU CG C 13 26.8 . . 1 . . . . . . . . 4316 1 806 . 1 1 76 76 LEU HG H 1 1.96 . . 1 . . . . . . . . 4316 1 807 . 1 1 76 76 LEU HD11 H 1 0.96 . . 2 . . . . . . . . 4316 1 808 . 1 1 76 76 LEU HD12 H 1 0.96 . . 2 . . . . . . . . 4316 1 809 . 1 1 76 76 LEU HD13 H 1 0.96 . . 2 . . . . . . . . 4316 1 810 . 1 1 76 76 LEU HD21 H 1 0.97 . . 2 . . . . . . . . 4316 1 811 . 1 1 76 76 LEU HD22 H 1 0.97 . . 2 . . . . . . . . 4316 1 812 . 1 1 76 76 LEU HD23 H 1 0.97 . . 2 . . . . . . . . 4316 1 813 . 1 1 76 76 LEU CD1 C 13 25.6 . . 1 . . . . . . . . 4316 1 814 . 1 1 76 76 LEU CD2 C 13 23.8 . . 1 . . . . . . . . 4316 1 815 . 1 1 77 77 ILE N N 15 119.5 . . 1 . . . . . . . . 4316 1 816 . 1 1 77 77 ILE H H 1 8.27 . . 1 . . . . . . . . 4316 1 817 . 1 1 77 77 ILE CA C 13 65.7 . . 1 . . . . . . . . 4316 1 818 . 1 1 77 77 ILE HA H 1 3.68 . . 1 . . . . . . . . 4316 1 819 . 1 1 77 77 ILE CB C 13 37.6 . . 1 . . . . . . . . 4316 1 820 . 1 1 77 77 ILE HB H 1 2.06 . . 1 . . . . . . . . 4316 1 821 . 1 1 77 77 ILE HG21 H 1 0.90 . . 1 . . . . . . . . 4316 1 822 . 1 1 77 77 ILE HG22 H 1 0.90 . . 1 . . . . . . . . 4316 1 823 . 1 1 77 77 ILE HG23 H 1 0.90 . . 1 . . . . . . . . 4316 1 824 . 1 1 77 77 ILE CG2 C 13 17.2 . . 1 . . . . . . . . 4316 1 825 . 1 1 77 77 ILE CG1 C 13 29.4 . . 1 . . . . . . . . 4316 1 826 . 1 1 77 77 ILE HG12 H 1 1.92 . . 2 . . . . . . . . 4316 1 827 . 1 1 77 77 ILE HG13 H 1 1.05 . . 2 . . . . . . . . 4316 1 828 . 1 1 77 77 ILE HD11 H 1 0.81 . . 1 . . . . . . . . 4316 1 829 . 1 1 77 77 ILE HD12 H 1 0.81 . . 1 . . . . . . . . 4316 1 830 . 1 1 77 77 ILE HD13 H 1 0.81 . . 1 . . . . . . . . 4316 1 831 . 1 1 77 77 ILE CD1 C 13 13.8 . . 1 . . . . . . . . 4316 1 832 . 1 1 78 78 LEU N N 15 118.0 . . 1 . . . . . . . . 4316 1 833 . 1 1 78 78 LEU H H 1 8.28 . . 1 . . . . . . . . 4316 1 834 . 1 1 78 78 LEU CA C 13 57.6 . . 1 . . . . . . . . 4316 1 835 . 1 1 78 78 LEU HA H 1 4.06 . . 1 . . . . . . . . 4316 1 836 . 1 1 78 78 LEU CB C 13 41.4 . . 1 . . . . . . . . 4316 1 837 . 1 1 78 78 LEU HB2 H 1 1.88 . . 2 . . . . . . . . 4316 1 838 . 1 1 78 78 LEU HB3 H 1 1.50 . . 2 . . . . . . . . 4316 1 839 . 1 1 78 78 LEU CG C 13 27.0 . . 1 . . . . . . . . 4316 1 840 . 1 1 78 78 LEU HG H 1 1.90 . . 1 . . . . . . . . 4316 1 841 . 1 1 78 78 LEU HD11 H 1 0.89 . . 2 . . . . . . . . 4316 1 842 . 1 1 78 78 LEU HD12 H 1 0.89 . . 2 . . . . . . . . 4316 1 843 . 1 1 78 78 LEU HD13 H 1 0.89 . . 2 . . . . . . . . 4316 1 844 . 1 1 78 78 LEU HD21 H 1 0.88 . . 2 . . . . . . . . 4316 1 845 . 1 1 78 78 LEU HD22 H 1 0.88 . . 2 . . . . . . . . 4316 1 846 . 1 1 78 78 LEU HD23 H 1 0.88 . . 2 . . . . . . . . 4316 1 847 . 1 1 78 78 LEU CD1 C 13 25.5 . . 1 . . . . . . . . 4316 1 848 . 1 1 78 78 LEU CD2 C 13 22.8 . . 1 . . . . . . . . 4316 1 849 . 1 1 79 79 LEU N N 15 119.7 . . 1 . . . . . . . . 4316 1 850 . 1 1 79 79 LEU H H 1 7.80 . . 1 . . . . . . . . 4316 1 851 . 1 1 79 79 LEU CA C 13 57.4 . . 1 . . . . . . . . 4316 1 852 . 1 1 79 79 LEU HA H 1 4.07 . . 1 . . . . . . . . 4316 1 853 . 1 1 79 79 LEU CB C 13 42.5 . . 1 . . . . . . . . 4316 1 854 . 1 1 79 79 LEU HB2 H 1 1.71 . . 2 . . . . . . . . 4316 1 855 . 1 1 79 79 LEU HB3 H 1 1.44 . . 2 . . . . . . . . 4316 1 856 . 1 1 79 79 LEU CG C 13 26.5 . . 1 . . . . . . . . 4316 1 857 . 1 1 79 79 LEU HG H 1 1.41 . . 1 . . . . . . . . 4316 1 858 . 1 1 79 79 LEU HD11 H 1 0.84 . . 2 . . . . . . . . 4316 1 859 . 1 1 79 79 LEU HD12 H 1 0.84 . . 2 . . . . . . . . 4316 1 860 . 1 1 79 79 LEU HD13 H 1 0.84 . . 2 . . . . . . . . 4316 1 861 . 1 1 79 79 LEU HD21 H 1 0.76 . . 2 . . . . . . . . 4316 1 862 . 1 1 79 79 LEU HD22 H 1 0.76 . . 2 . . . . . . . . 4316 1 863 . 1 1 79 79 LEU HD23 H 1 0.76 . . 2 . . . . . . . . 4316 1 864 . 1 1 79 79 LEU CD1 C 13 24.3 . . 1 . . . . . . . . 4316 1 865 . 1 1 79 79 LEU CD2 C 13 24.2 . . 1 . . . . . . . . 4316 1 866 . 1 1 80 80 TYR N N 15 117.0 . . 1 . . . . . . . . 4316 1 867 . 1 1 80 80 TYR H H 1 7.98 . . 1 . . . . . . . . 4316 1 868 . 1 1 80 80 TYR CA C 13 59.9 . . 1 . . . . . . . . 4316 1 869 . 1 1 80 80 TYR HA H 1 4.48 . . 1 . . . . . . . . 4316 1 870 . 1 1 80 80 TYR CB C 13 39.6 . . 1 . . . . . . . . 4316 1 871 . 1 1 80 80 TYR HB2 H 1 3.17 . . 2 . . . . . . . . 4316 1 872 . 1 1 80 80 TYR HB3 H 1 2.85 . . 2 . . . . . . . . 4316 1 873 . 1 1 80 80 TYR HD1 H 1 7.24 . . 1 . . . . . . . . 4316 1 874 . 1 1 80 80 TYR HD2 H 1 7.24 . . 1 . . . . . . . . 4316 1 875 . 1 1 80 80 TYR HE1 H 1 6.78 . . 1 . . . . . . . . 4316 1 876 . 1 1 80 80 TYR HE2 H 1 6.78 . . 1 . . . . . . . . 4316 1 877 . 1 1 81 81 ALA N N 15 120.4 . . 1 . . . . . . . . 4316 1 878 . 1 1 81 81 ALA H H 1 8.43 . . 1 . . . . . . . . 4316 1 879 . 1 1 81 81 ALA CA C 13 52.9 . . 1 . . . . . . . . 4316 1 880 . 1 1 81 81 ALA HA H 1 4.46 . . 1 . . . . . . . . 4316 1 881 . 1 1 81 81 ALA HB1 H 1 1.46 . . 1 . . . . . . . . 4316 1 882 . 1 1 81 81 ALA HB2 H 1 1.46 . . 1 . . . . . . . . 4316 1 883 . 1 1 81 81 ALA HB3 H 1 1.46 . . 1 . . . . . . . . 4316 1 884 . 1 1 81 81 ALA CB C 13 19.5 . . 1 . . . . . . . . 4316 1 885 . 1 1 82 82 ASN N N 15 116.3 . . 1 . . . . . . . . 4316 1 886 . 1 1 82 82 ASN H H 1 7.88 . . 1 . . . . . . . . 4316 1 887 . 1 1 82 82 ASN CA C 13 55.5 . . 1 . . . . . . . . 4316 1 888 . 1 1 82 82 ASN HA H 1 4.65 . . 1 . . . . . . . . 4316 1 889 . 1 1 82 82 ASN CB C 13 38.5 . . 1 . . . . . . . . 4316 1 890 . 1 1 82 82 ASN HB2 H 1 2.94 . . 2 . . . . . . . . 4316 1 891 . 1 1 82 82 ASN HB3 H 1 2.86 . . 2 . . . . . . . . 4316 1 892 . 1 1 82 82 ASN HD21 H 1 6.67 . . 2 . . . . . . . . 4316 1 893 . 1 1 82 82 ASN HD22 H 1 7.64 . . 2 . . . . . . . . 4316 1 894 . 1 1 83 83 PRO CD C 13 50.4 . . 1 . . . . . . . . 4316 1 895 . 1 1 83 83 PRO CA C 13 64.7 . . 1 . . . . . . . . 4316 1 896 . 1 1 83 83 PRO HA H 1 4.33 . . 1 . . . . . . . . 4316 1 897 . 1 1 83 83 PRO CB C 13 31.4 . . 1 . . . . . . . . 4316 1 898 . 1 1 83 83 PRO HB2 H 1 2.11 . . 2 . . . . . . . . 4316 1 899 . 1 1 83 83 PRO HB3 H 1 1.25 . . 2 . . . . . . . . 4316 1 900 . 1 1 83 83 PRO CG C 13 27.3 . . 1 . . . . . . . . 4316 1 901 . 1 1 83 83 PRO HG2 H 1 1.78 . . 2 . . . . . . . . 4316 1 902 . 1 1 83 83 PRO HG3 H 1 1.60 . . 2 . . . . . . . . 4316 1 903 . 1 1 83 83 PRO HD2 H 1 3.68 . . 2 . . . . . . . . 4316 1 904 . 1 1 83 83 PRO HD3 H 1 3.52 . . 2 . . . . . . . . 4316 1 905 . 1 1 84 84 PHE N N 15 116.3 . . 1 . . . . . . . . 4316 1 906 . 1 1 84 84 PHE H H 1 7.90 . . 1 . . . . . . . . 4316 1 907 . 1 1 84 84 PHE CA C 13 58.3 . . 1 . . . . . . . . 4316 1 908 . 1 1 84 84 PHE HA H 1 4.57 . . 1 . . . . . . . . 4316 1 909 . 1 1 84 84 PHE CB C 13 39.3 . . 1 . . . . . . . . 4316 1 910 . 1 1 84 84 PHE HB2 H 1 3.33 . . 2 . . . . . . . . 4316 1 911 . 1 1 84 84 PHE HB3 H 1 3.06 . . 2 . . . . . . . . 4316 1 912 . 1 1 84 84 PHE HD1 H 1 7.28 . . 1 . . . . . . . . 4316 1 913 . 1 1 84 84 PHE HD2 H 1 7.28 . . 1 . . . . . . . . 4316 1 914 . 1 1 85 85 VAL N N 15 118.2 . . 1 . . . . . . . . 4316 1 915 . 1 1 85 85 VAL H H 1 7.55 . . 1 . . . . . . . . 4316 1 916 . 1 1 85 85 VAL CA C 13 64.3 . . 1 . . . . . . . . 4316 1 917 . 1 1 85 85 VAL HA H 1 3.90 . . 1 . . . . . . . . 4316 1 918 . 1 1 85 85 VAL CB C 13 32.1 . . 1 . . . . . . . . 4316 1 919 . 1 1 85 85 VAL HB H 1 2.17 . . 1 . . . . . . . . 4316 1 920 . 1 1 85 85 VAL HG11 H 1 1.05 . . 2 . . . . . . . . 4316 1 921 . 1 1 85 85 VAL HG12 H 1 1.05 . . 2 . . . . . . . . 4316 1 922 . 1 1 85 85 VAL HG13 H 1 1.05 . . 2 . . . . . . . . 4316 1 923 . 1 1 85 85 VAL HG21 H 1 0.99 . . 2 . . . . . . . . 4316 1 924 . 1 1 85 85 VAL HG22 H 1 0.99 . . 2 . . . . . . . . 4316 1 925 . 1 1 85 85 VAL HG23 H 1 0.99 . . 2 . . . . . . . . 4316 1 926 . 1 1 85 85 VAL CG1 C 13 21.4 . . 1 . . . . . . . . 4316 1 927 . 1 1 85 85 VAL CG2 C 13 21.1 . . 1 . . . . . . . . 4316 1 928 . 1 1 86 86 GLY N N 15 111.1 . . 1 . . . . . . . . 4316 1 929 . 1 1 86 86 GLY H H 1 8.39 . . 1 . . . . . . . . 4316 1 930 . 1 1 86 86 GLY CA C 13 45.8 . . 1 . . . . . . . . 4316 1 931 . 1 1 86 86 GLY HA2 H 1 3.97 . . 1 . . . . . . . . 4316 1 932 . 1 1 86 86 GLY HA3 H 1 3.97 . . 1 . . . . . . . . 4316 1 933 . 1 1 87 87 LEU N N 15 121.1 . . 1 . . . . . . . . 4316 1 934 . 1 1 87 87 LEU H H 1 7.81 . . 1 . . . . . . . . 4316 1 935 . 1 1 87 87 LEU CA C 13 56.5 . . 1 . . . . . . . . 4316 1 936 . 1 1 87 87 LEU HA H 1 4.25 . . 1 . . . . . . . . 4316 1 937 . 1 1 87 87 LEU CB C 13 42.8 . . 1 . . . . . . . . 4316 1 938 . 1 1 87 87 LEU HB2 H 1 1.86 . . 2 . . . . . . . . 4316 1 939 . 1 1 87 87 LEU HB3 H 1 1.63 . . 2 . . . . . . . . 4316 1 940 . 1 1 87 87 LEU CG C 13 27.0 . . 1 . . . . . . . . 4316 1 941 . 1 1 87 87 LEU HG H 1 1.77 . . 1 . . . . . . . . 4316 1 942 . 1 1 87 87 LEU HD11 H 1 1.00 . . 2 . . . . . . . . 4316 1 943 . 1 1 87 87 LEU HD12 H 1 1.00 . . 2 . . . . . . . . 4316 1 944 . 1 1 87 87 LEU HD13 H 1 1.00 . . 2 . . . . . . . . 4316 1 945 . 1 1 87 87 LEU HD21 H 1 0.92 . . 2 . . . . . . . . 4316 1 946 . 1 1 87 87 LEU HD22 H 1 0.92 . . 2 . . . . . . . . 4316 1 947 . 1 1 87 87 LEU HD23 H 1 0.92 . . 2 . . . . . . . . 4316 1 948 . 1 1 87 87 LEU CD1 C 13 25.1 . . 1 . . . . . . . . 4316 1 949 . 1 1 87 87 LEU CD2 C 13 23.6 . . 1 . . . . . . . . 4316 1 950 . 1 1 88 88 LEU N N 15 117.6 . . 1 . . . . . . . . 4316 1 951 . 1 1 88 88 LEU H H 1 7.78 . . 1 . . . . . . . . 4316 1 952 . 1 1 88 88 LEU CA C 13 54.9 . . 1 . . . . . . . . 4316 1 953 . 1 1 88 88 LEU HA H 1 4.38 . . 1 . . . . . . . . 4316 1 954 . 1 1 88 88 LEU CB C 13 42.0 . . 1 . . . . . . . . 4316 1 955 . 1 1 88 88 LEU HB2 H 1 1.79 . . 2 . . . . . . . . 4316 1 956 . 1 1 88 88 LEU HB3 H 1 1.65 . . 2 . . . . . . . . 4316 1 957 . 1 1 88 88 LEU CG C 13 27.3 . . 1 . . . . . . . . 4316 1 958 . 1 1 88 88 LEU HG H 1 1.68 . . 1 . . . . . . . . 4316 1 959 . 1 1 88 88 LEU HD11 H 1 0.94 . . 2 . . . . . . . . 4316 1 960 . 1 1 88 88 LEU HD12 H 1 0.94 . . 2 . . . . . . . . 4316 1 961 . 1 1 88 88 LEU HD13 H 1 0.94 . . 2 . . . . . . . . 4316 1 962 . 1 1 88 88 LEU HD21 H 1 0.87 . . 2 . . . . . . . . 4316 1 963 . 1 1 88 88 LEU HD22 H 1 0.87 . . 2 . . . . . . . . 4316 1 964 . 1 1 88 88 LEU HD23 H 1 0.87 . . 2 . . . . . . . . 4316 1 965 . 1 1 88 88 LEU CD1 C 13 25.6 . . 1 . . . . . . . . 4316 1 966 . 1 1 88 88 LEU CD2 C 13 22.9 . . 1 . . . . . . . . 4316 1 967 . 1 1 89 89 GLY N N 15 113.6 . . 1 . . . . . . . . 4316 1 968 . 1 1 89 89 GLY H H 1 7.67 . . 1 . . . . . . . . 4316 1 969 . 1 1 89 89 GLY CA C 13 46.2 . . 1 . . . . . . . . 4316 1 970 . 1 1 89 89 GLY HA2 H 1 3.77 . . 2 . . . . . . . . 4316 1 971 . 1 1 89 89 GLY HA3 H 1 3.74 . . 2 . . . . . . . . 4316 1 stop_ save_