data_25064 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25064 _Entry.Title ; apo structure of the Peptidyl Carrier Protein Domain 7 of the teicoplanin producing Non-ribosomal peptide synthetase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-02 _Entry.Accession_date 2014-07-02 _Entry.Last_release_date 2015-01-26 _Entry.Original_release_date 2015-01-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kristina Haslinger . . . 25064 2 Egle Maximowitsch . . . 25064 3 Christina Redfield . . . 25064 4 Max Cryle . J. . 25064 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25064 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Non-ribosomal peptide synthetase' . 25064 'peptidyl carrier protein' . 25064 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 4 25064 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1735 25064 '13C chemical shifts' 156 25064 '15N chemical shifts' 70 25064 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-01-26 2014-07-02 original author . 25064 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25065 'PCP7T holo form' 25064 PDB 2MQM 'BMRB Entry Tracking System' 25064 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25064 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25586301 _Citation.Full_citation . _Citation.Title 'Structure of the terminal PCP domain of the non-ribosomal peptide synthetase in teicoplanin biosynthesis' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kristina Haslinger . . . 25064 1 2 Egle Maximowitsch . . . 25064 1 3 Clara Brieke . . . 25064 1 4 Alexa Koch . . . 25064 1 5 Christina Redfield . . . 25064 1 6 Max Cryle . J. . 25064 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25064 _Assembly.ID 1 _Assembly.Name PCP7T _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 9677.0656 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PCP7T 1 $PCP7T B . yes native no no . . . 25064 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PCP7T _Entity.Sf_category entity _Entity.Sf_framecode PCP7T _Entity.Entry_ID 25064 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PCP7T _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMAKAPESATEKVLCALYA EILGVERVGVDDAFHDLGGS SALAMRLIARIREELGVDLP IRQLFSSPTPAGVARALAAK SASWSHPQFEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9677.0656 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q70AZ6 . tcp12 . . . . . . . . . . . . . . 25064 1 2 no BMRB 25065 . PCP7T . . . . . 100.00 91 100.00 100.00 5.96e-57 . . . . 25064 1 3 no PDB 2MR7 . "Apo Structure Of The Peptidyl Carrier Protein Domain 7 Of The Teicoplanin Producing Non-ribosomal Peptide Synthetase" . . . . . 100.00 91 100.00 100.00 5.96e-57 . . . . 25064 1 4 no PDB 2MR8 . "Holo Structure Of The Peptidyl Carrier Protein Domain 7 Of The Teicoplanin Producing Non-ribosomal Peptide Synthetase" . . . . . 100.00 91 100.00 100.00 5.96e-57 . . . . 25064 1 5 no EMBL CAE53353 . "non-ribosomal peptide synthetase [Actinoplanes teichomyceticus]" . . . . . 87.91 1865 98.75 98.75 6.80e-40 . . . . 25064 1 6 no EMBL CAG15012 . "peptide synthetase, module 7 [Actinoplanes teichomyceticus]" . . . . . 87.91 1860 98.75 98.75 6.66e-40 . . . . 25064 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 25064 1 2 2 ALA . 25064 1 3 3 MET . 25064 1 4 4 ALA . 25064 1 5 5 LYS . 25064 1 6 6 ALA . 25064 1 7 7 PRO . 25064 1 8 8 GLU . 25064 1 9 9 SER . 25064 1 10 10 ALA . 25064 1 11 11 THR . 25064 1 12 12 GLU . 25064 1 13 13 LYS . 25064 1 14 14 VAL . 25064 1 15 15 LEU . 25064 1 16 16 CYS . 25064 1 17 17 ALA . 25064 1 18 18 LEU . 25064 1 19 19 TYR . 25064 1 20 20 ALA . 25064 1 21 21 GLU . 25064 1 22 22 ILE . 25064 1 23 23 LEU . 25064 1 24 24 GLY . 25064 1 25 25 VAL . 25064 1 26 26 GLU . 25064 1 27 27 ARG . 25064 1 28 28 VAL . 25064 1 29 29 GLY . 25064 1 30 30 VAL . 25064 1 31 31 ASP . 25064 1 32 32 ASP . 25064 1 33 33 ALA . 25064 1 34 34 PHE . 25064 1 35 35 HIS . 25064 1 36 36 ASP . 25064 1 37 37 LEU . 25064 1 38 38 GLY . 25064 1 39 39 GLY . 25064 1 40 40 SER . 25064 1 41 41 SER . 25064 1 42 42 ALA . 25064 1 43 43 LEU . 25064 1 44 44 ALA . 25064 1 45 45 MET . 25064 1 46 46 ARG . 25064 1 47 47 LEU . 25064 1 48 48 ILE . 25064 1 49 49 ALA . 25064 1 50 50 ARG . 25064 1 51 51 ILE . 25064 1 52 52 ARG . 25064 1 53 53 GLU . 25064 1 54 54 GLU . 25064 1 55 55 LEU . 25064 1 56 56 GLY . 25064 1 57 57 VAL . 25064 1 58 58 ASP . 25064 1 59 59 LEU . 25064 1 60 60 PRO . 25064 1 61 61 ILE . 25064 1 62 62 ARG . 25064 1 63 63 GLN . 25064 1 64 64 LEU . 25064 1 65 65 PHE . 25064 1 66 66 SER . 25064 1 67 67 SER . 25064 1 68 68 PRO . 25064 1 69 69 THR . 25064 1 70 70 PRO . 25064 1 71 71 ALA . 25064 1 72 72 GLY . 25064 1 73 73 VAL . 25064 1 74 74 ALA . 25064 1 75 75 ARG . 25064 1 76 76 ALA . 25064 1 77 77 LEU . 25064 1 78 78 ALA . 25064 1 79 79 ALA . 25064 1 80 80 LYS . 25064 1 81 81 SER . 25064 1 82 82 ALA . 25064 1 83 83 SER . 25064 1 84 84 TRP . 25064 1 85 85 SER . 25064 1 86 86 HIS . 25064 1 87 87 PRO . 25064 1 88 88 GLN . 25064 1 89 89 PHE . 25064 1 90 90 GLU . 25064 1 91 91 LYS . 25064 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 . GLY 1 1 25064 1 . ALA 2 2 25064 1 . MET 3 3 25064 1 . ALA 4 4 25064 1 . LYS 5 5 25064 1 . ALA 6 6 25064 1 . PRO 7 7 25064 1 . GLU 8 8 25064 1 . SER 9 9 25064 1 . ALA 10 10 25064 1 . THR 11 11 25064 1 . GLU 12 12 25064 1 . LYS 13 13 25064 1 . VAL 14 14 25064 1 . LEU 15 15 25064 1 . CYS 16 16 25064 1 . ALA 17 17 25064 1 . LEU 18 18 25064 1 . TYR 19 19 25064 1 . ALA 20 20 25064 1 . GLU 21 21 25064 1 . ILE 22 22 25064 1 . LEU 23 23 25064 1 . GLY 24 24 25064 1 . VAL 25 25 25064 1 . GLU 26 26 25064 1 . ARG 27 27 25064 1 . VAL 28 28 25064 1 . GLY 29 29 25064 1 . VAL 30 30 25064 1 . ASP 31 31 25064 1 . ASP 32 32 25064 1 . ALA 33 33 25064 1 . PHE 34 34 25064 1 . HIS 35 35 25064 1 . ASP 36 36 25064 1 . LEU 37 37 25064 1 . GLY 38 38 25064 1 . GLY 39 39 25064 1 . SER 40 40 25064 1 . SER 41 41 25064 1 . ALA 42 42 25064 1 . LEU 43 43 25064 1 . ALA 44 44 25064 1 . MET 45 45 25064 1 . ARG 46 46 25064 1 . LEU 47 47 25064 1 . ILE 48 48 25064 1 . ALA 49 49 25064 1 . ARG 50 50 25064 1 . ILE 51 51 25064 1 . ARG 52 52 25064 1 . GLU 53 53 25064 1 . GLU 54 54 25064 1 . LEU 55 55 25064 1 . GLY 56 56 25064 1 . VAL 57 57 25064 1 . ASP 58 58 25064 1 . LEU 59 59 25064 1 . PRO 60 60 25064 1 . ILE 61 61 25064 1 . ARG 62 62 25064 1 . GLN 63 63 25064 1 . LEU 64 64 25064 1 . PHE 65 65 25064 1 . SER 66 66 25064 1 . SER 67 67 25064 1 . PRO 68 68 25064 1 . THR 69 69 25064 1 . PRO 70 70 25064 1 . ALA 71 71 25064 1 . GLY 72 72 25064 1 . VAL 73 73 25064 1 . ALA 74 74 25064 1 . ARG 75 75 25064 1 . ALA 76 76 25064 1 . LEU 77 77 25064 1 . ALA 78 78 25064 1 . ALA 79 79 25064 1 . LYS 80 80 25064 1 . SER 81 81 25064 1 . ALA 82 82 25064 1 . SER 83 83 25064 1 . TRP 84 84 25064 1 . SER 85 85 25064 1 . HIS 86 86 25064 1 . PRO 87 87 25064 1 . GLN 88 88 25064 1 . PHE 89 89 25064 1 . GLU 90 90 25064 1 . LYS 91 91 25064 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 25064 _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 $PCP7T . 1867 organism . 'Actinoplanes teichomyceticus' 'high GC Gram+' . . Bacteria . Actinoplanes teichomyceticus 1867 . . . . . . . . . . . . . . . tcp12 . 'amino acids 977-1044' . . 25064 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 25064 _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 $PCP7T . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21gold (DE3)' . . . . . . . . . . . . . . . pETGB1 . . . . . . 25064 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25064 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PCP7T '[U-100% 13C; U-100% 15N]' . . 1 $PCP7T . . . 350 500 uM . . . . 25064 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 25064 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25064 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25064 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25064 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PCP7T 'natural abundance' . . 1 $PCP7T . . 500 . . uM . . . . 25064 2 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 25064 2 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25064 2 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25064 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25064 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PCP7T 'natural abundance' . . 1 $PCP7T . . 500 . . uM . . . . 25064 3 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 25064 3 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25064 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25064 _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 temperature 293 . K 25064 1 pH 7.4 . pH 25064 1 pressure 1 . atm 25064 1 'ionic strength' 0.1 . M 25064 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25064 _Software.ID 1 _Software.Name CcpNmr_Analysis _Software.Version 2.3.1 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 25064 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25064 1 'peak picking' 25064 1 stop_ save_ save_YASARA _Software.Sf_category software _Software.Sf_framecode YASARA _Software.Entry_ID 25064 _Software.ID 2 _Software.Name YASARA _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'YASARA Biosciences GmbH' ; YASARA Biosciences GmbH Dr. Elmar Krieger Wagramer Strasse 25/3/45 1220 Vienna Austria / Europe VAT-Number: ATU65614837 ; . 25064 2 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25064 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25064 2 refinement 25064 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25064 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25064 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25064 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25064 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25064 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25064 4 stop_ save_ save_WhatIF _Software.Sf_category software _Software.Sf_framecode WhatIF _Software.Entry_ID 25064 _Software.ID 5 _Software.Name WhatIF _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Vriend . . 25064 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25064 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25064 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Bruker _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25064 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer home-built _NMR_spectrometer.Model home-built _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25064 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer home-built _NMR_spectrometer.Model home-built _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25064 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Oxford Bruker . 600 . . . 25064 1 2 spectrometer_2 Oxford home-built . 750 . . . 25064 1 3 spectrometer_3 Oxford home-built . 950 . . . 25064 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 25064 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25064 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25064 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25064 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25064 1 5 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25064 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25064 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25064 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25064 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25064 1 10 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25064 1 11 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25064 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25064 1 13 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25064 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25064 1 15 '3D HNCCCONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25064 1 16 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25064 1 17 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25064 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25064 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25064 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25064 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25064 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25064 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-1H NOESY' . . . 25064 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 25064 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 3 3 MET HB2 H 1 2.039 0.01 . 1 . 1411 . A 3 MET HB2 . 25064 1 2 . 1 1 3 3 MET HB3 H 1 2.039 0.01 . 1 . 1661 . A 3 MET HB3 . 25064 1 3 . 1 1 3 3 MET HG2 H 1 2.590 0.0 . 1 . 1720 . A 3 MET HG2 . 25064 1 4 . 1 1 3 3 MET HG3 H 1 2.590 0.0 . 1 . 1719 . A 3 MET HG3 . 25064 1 5 . 1 1 3 3 MET HE1 H 1 2.075 0.01 . 1 . 1722 . A 3 MET HE1 . 25064 1 6 . 1 1 3 3 MET HE2 H 1 2.075 0.01 . 1 . 1722 . A 3 MET HE2 . 25064 1 7 . 1 1 3 3 MET HE3 H 1 2.075 0.01 . 1 . 1722 . A 3 MET HE3 . 25064 1 8 . 1 1 4 4 ALA HA H 1 4.260 0.01 . 1 . 1415 . A 4 ALA HA . 25064 1 9 . 1 1 4 4 ALA HB1 H 1 1.329 0.01 . 1 . 1416 . A 4 ALA HB1 . 25064 1 10 . 1 1 4 4 ALA HB2 H 1 1.329 0.01 . 1 . 1416 . A 4 ALA HB2 . 25064 1 11 . 1 1 4 4 ALA HB3 H 1 1.329 0.01 . 1 . 1417 . A 4 ALA HB3 . 25064 1 12 . 1 1 5 5 LYS HG2 H 1 1.418 0.01 . 1 . 1728 . A 5 LYS HG2 . 25064 1 13 . 1 1 5 5 LYS HE2 H 1 2.943 0.01 . 1 . 1725 . A 5 LYS HE2 . 25064 1 14 . 1 1 5 5 LYS HE3 H 1 2.943 0.01 . 1 . 1724 . A 5 LYS HE3 . 25064 1 15 . 1 1 6 6 ALA HA H 1 4.574 0.006 . 1 . 1732 . A 6 ALA HA . 25064 1 16 . 1 1 6 6 ALA HB1 H 1 1.354 0.001 . 1 . 1511 . A 6 ALA HB1 . 25064 1 17 . 1 1 6 6 ALA HB2 H 1 1.354 0.001 . 1 . 1511 . A 6 ALA HB2 . 25064 1 18 . 1 1 6 6 ALA HB3 H 1 1.354 0.001 . 1 . 1511 . A 6 ALA HB3 . 25064 1 19 . 1 1 7 7 PRO HA H 1 4.332 0.001 . 1 . 1343 . A 7 PRO HA . 25064 1 20 . 1 1 7 7 PRO HB2 H 1 2.207 0.0 . 2 . 1344 . A 7 PRO HB2 . 25064 1 21 . 1 1 7 7 PRO HB3 H 1 1.825 0.001 . 2 . 1345 . A 7 PRO HB3 . 25064 1 22 . 1 1 8 8 GLU HA H 1 4.364 0.021 . 1 . 1304 . A 8 GLU HA . 25064 1 23 . 1 1 8 8 GLU HB2 H 1 2.018 0.008 . 2 . 1305 . A 8 GLU HB2 . 25064 1 24 . 1 1 8 8 GLU HB3 H 1 1.914 0.01 . 2 . 1306 . A 8 GLU HB3 . 25064 1 25 . 1 1 9 9 SER HA H 1 4.518 0.001 . 1 . 1823 . A 9 SER HA . 25064 1 26 . 1 1 9 9 SER HB2 H 1 3.920 0.001 . 2 . 1825 . A 9 SER HB2 . 25064 1 27 . 1 1 9 9 SER HB3 H 1 4.250 0.0 . 2 . 1824 . A 9 SER HB3 . 25064 1 28 . 1 1 10 10 ALA HA H 1 4.109 0.0 . 1 . 1271 . A 10 ALA HA . 25064 1 29 . 1 1 10 10 ALA HB1 H 1 1.484 0.0 . 1 . 1273 . A 10 ALA HB1 . 25064 1 30 . 1 1 10 10 ALA HB2 H 1 1.484 0.0 . 1 . 1273 . A 10 ALA HB2 . 25064 1 31 . 1 1 10 10 ALA HB3 H 1 1.484 0.0 . 1 . 1273 . A 10 ALA HB3 . 25064 1 32 . 1 1 11 11 THR HA H 1 3.817 0.003 . 1 . 1266 . A 11 THR HA . 25064 1 33 . 1 1 11 11 THR HB H 1 4.005 0.0 . 1 . 1267 . A 11 THR HB . 25064 1 34 . 1 1 11 11 THR HG21 H 1 1.219 0.0 . 1 . 1497 . A 11 THR HG21 . 25064 1 35 . 1 1 11 11 THR HG22 H 1 1.219 0.0 . 1 . 1497 . A 11 THR HG22 . 25064 1 36 . 1 1 11 11 THR HG23 H 1 1.219 0.0 . 1 . 1497 . A 11 THR HG23 . 25064 1 37 . 1 1 12 12 GLU HA H 1 3.558 0.01 . 1 . 1255 . A 12 GLU HA . 25064 1 38 . 1 1 12 12 GLU HG3 H 1 2.193 0.01 . 1 . 1499 . A 12 GLU HG3 . 25064 1 39 . 1 1 13 13 LYS HA H 1 3.886 0.01 . 1 . 1403 . A 13 LYS HA . 25064 1 40 . 1 1 13 13 LYS HB2 H 1 1.925 0.01 . 1 . 1404 . A 13 LYS HB2 . 25064 1 41 . 1 1 13 13 LYS HB3 H 1 1.925 0.01 . 1 . 1405 . A 13 LYS HB3 . 25064 1 42 . 1 1 14 14 VAL HA H 1 3.778 0.001 . 1 . 1375 . A 14 VAL HA . 25064 1 43 . 1 1 14 14 VAL HB H 1 2.185 0.002 . 1 . 1376 . A 14 VAL HB . 25064 1 44 . 1 1 14 14 VAL HG11 H 1 0.915 0.001 . 2 . 1496 . A 14 VAL HG11 . 25064 1 45 . 1 1 14 14 VAL HG12 H 1 0.915 0.001 . 2 . 1496 . A 14 VAL HG12 . 25064 1 46 . 1 1 14 14 VAL HG13 H 1 0.915 0.001 . 2 . 1496 . A 14 VAL HG13 . 25064 1 47 . 1 1 14 14 VAL HG21 H 1 1.109 0.0 . 2 . 1495 . A 14 VAL HG21 . 25064 1 48 . 1 1 14 14 VAL HG22 H 1 1.109 0.0 . 2 . 1495 . A 14 VAL HG22 . 25064 1 49 . 1 1 14 14 VAL HG23 H 1 1.109 0.0 . 2 . 1495 . A 14 VAL HG23 . 25064 1 50 . 1 1 15 15 LEU HA H 1 3.971 0.01 . 1 . 1370 . A 15 LEU HA . 25064 1 51 . 1 1 15 15 LEU HB2 H 1 1.071 0.01 . 2 . 1372 . A 15 LEU HB2 . 25064 1 52 . 1 1 15 15 LEU HB3 H 1 2.017 0.01 . 2 . 1371 . A 15 LEU HB3 . 25064 1 53 . 1 1 15 15 LEU HG H 1 1.830 0.01 . 1 . 1500 . A 15 LEU HG . 25064 1 54 . 1 1 15 15 LEU HD11 H 1 0.828 0.01 . 1 . 1501 . A 15 LEU HD11 . 25064 1 55 . 1 1 15 15 LEU HD12 H 1 0.828 0.01 . 1 . 1501 . A 15 LEU HD12 . 25064 1 56 . 1 1 15 15 LEU HD13 H 1 0.828 0.01 . 1 . 1501 . A 15 LEU HD13 . 25064 1 57 . 1 1 17 17 ALA HA H 1 4.204 0.01 . 1 . 1326 . A 17 ALA HA . 25064 1 58 . 1 1 17 17 ALA HB1 H 1 1.594 0.01 . 1 . 1327 . A 17 ALA HB1 . 25064 1 59 . 1 1 17 17 ALA HB2 H 1 1.594 0.01 . 1 . 1327 . A 17 ALA HB2 . 25064 1 60 . 1 1 17 17 ALA HB3 H 1 1.594 0.01 . 1 . 1327 . A 17 ALA HB3 . 25064 1 61 . 1 1 18 18 LEU HA H 1 4.174 0.01 . 1 . 1281 . A 18 LEU HA . 25064 1 62 . 1 1 18 18 LEU HB2 H 1 2.077 0.001 . 2 . 1282 . A 18 LEU HB2 . 25064 1 63 . 1 1 18 18 LEU HB3 H 1 1.232 0.018 . 2 . 1283 . A 18 LEU HB3 . 25064 1 64 . 1 1 18 18 LEU HD11 H 1 0.700 0.01 . 2 . 1735 . A 18 LEU HD11 . 25064 1 65 . 1 1 18 18 LEU HD12 H 1 0.700 0.01 . 2 . 1735 . A 18 LEU HD12 . 25064 1 66 . 1 1 18 18 LEU HD13 H 1 0.700 0.01 . 2 . 1735 . A 18 LEU HD13 . 25064 1 67 . 1 1 18 18 LEU HD21 H 1 0.830 0.01 . 1 . 580 . A 18 LEU HD21 . 25064 1 68 . 1 1 18 18 LEU HD22 H 1 0.830 0.01 . 1 . 580 . A 18 LEU HD22 . 25064 1 69 . 1 1 18 18 LEU HD23 H 1 0.830 0.01 . 1 . 580 . A 18 LEU HD23 . 25064 1 70 . 1 1 19 19 TYR HA H 1 3.976 0.01 . 1 . 156 . A 19 TYR HA . 25064 1 71 . 1 1 19 19 TYR HB2 H 1 3.525 0.01 . 2 . 492 . A 19 TYR HB2 . 25064 1 72 . 1 1 19 19 TYR HB3 H 1 2.752 0.01 . 2 . 493 . A 19 TYR HB3 . 25064 1 73 . 1 1 19 19 TYR HD1 H 1 7.119 0.001 . 3 . 1699 . A 19 TYR HD1 . 25064 1 74 . 1 1 19 19 TYR HD2 H 1 7.119 0.001 . 3 . 1699 . A 19 TYR HD2 . 25064 1 75 . 1 1 19 19 TYR HE1 H 1 6.693 0.001 . 3 . 1684 . A 19 TYR HE1 . 25064 1 76 . 1 1 19 19 TYR HE2 H 1 6.693 0.001 . 3 . 1684 . A 19 TYR HE2 . 25064 1 77 . 1 1 20 20 ALA HA H 1 3.878 0.001 . 1 . 1373 . A 20 ALA HA . 25064 1 78 . 1 1 20 20 ALA HB1 H 1 1.505 0.0 . 1 . 1374 . A 20 ALA HB1 . 25064 1 79 . 1 1 20 20 ALA HB2 H 1 1.505 0.0 . 1 . 1374 . A 20 ALA HB2 . 25064 1 80 . 1 1 20 20 ALA HB3 H 1 1.505 0.0 . 1 . 1374 . A 20 ALA HB3 . 25064 1 81 . 1 1 21 21 GLU HA H 1 3.984 0.01 . 1 . 1430 . A 21 GLU HA . 25064 1 82 . 1 1 21 21 GLU HG2 H 1 2.410 0.001 . 2 . 1447 . A 21 GLU HG2 . 25064 1 83 . 1 1 21 21 GLU HG3 H 1 1.957 0.0 . 2 . 1448 . A 21 GLU HG3 . 25064 1 84 . 1 1 22 22 ILE HA H 1 3.902 0.002 . 1 . 1431 . A 22 ILE HA . 25064 1 85 . 1 1 22 22 ILE HB H 1 2.077 0.002 . 1 . 1432 . A 22 ILE HB . 25064 1 86 . 1 1 22 22 ILE HG12 H 1 1.347 0.001 . 2 . 1454 . A 22 ILE HG12 . 25064 1 87 . 1 1 22 22 ILE HG13 H 1 1.685 0.01 . 2 . 1453 . A 22 ILE HG13 . 25064 1 88 . 1 1 22 22 ILE HG21 H 1 1.022 0.005 . 1 . 1452 . A 22 ILE HG21 . 25064 1 89 . 1 1 22 22 ILE HG22 H 1 1.022 0.005 . 1 . 1452 . A 22 ILE HG22 . 25064 1 90 . 1 1 22 22 ILE HG23 H 1 1.022 0.005 . 1 . 1452 . A 22 ILE HG23 . 25064 1 91 . 1 1 22 22 ILE HD11 H 1 0.792 0.013 . 1 . 1517 . A 22 ILE HD11 . 25064 1 92 . 1 1 22 22 ILE HD12 H 1 0.792 0.013 . 1 . 1517 . A 22 ILE HD12 . 25064 1 93 . 1 1 22 22 ILE HD13 H 1 0.792 0.013 . 1 . 1517 . A 22 ILE HD13 . 25064 1 94 . 1 1 23 23 LEU HA H 1 4.129 0.001 . 1 . 1351 . A 23 LEU HA . 25064 1 95 . 1 1 23 23 LEU HB2 H 1 1.394 0.001 . 2 . 1352 . A 23 LEU HB2 . 25064 1 96 . 1 1 23 23 LEU HB3 H 1 1.818 0.009 . 2 . 1353 . A 23 LEU HB3 . 25064 1 97 . 1 1 23 23 LEU HG H 1 1.594 0.006 . 1 . 1465 . A 23 LEU HG . 25064 1 98 . 1 1 23 23 LEU HD11 H 1 0.271 0.001 . 2 . 1466 . A 23 LEU HD11 . 25064 1 99 . 1 1 23 23 LEU HD12 H 1 0.271 0.001 . 2 . 1466 . A 23 LEU HD12 . 25064 1 100 . 1 1 23 23 LEU HD13 H 1 0.271 0.001 . 2 . 1466 . A 23 LEU HD13 . 25064 1 101 . 1 1 23 23 LEU HD21 H 1 0.675 0.01 . 1 . 609 . A 23 LEU HD21 . 25064 1 102 . 1 1 23 23 LEU HD22 H 1 0.675 0.01 . 1 . 609 . A 23 LEU HD22 . 25064 1 103 . 1 1 23 23 LEU HD23 H 1 0.675 0.01 . 1 . 609 . A 23 LEU HD23 . 25064 1 104 . 1 1 24 24 GLY HA2 H 1 3.898 0.01 . 1 . 1473 . A 24 GLY HA2 . 25064 1 105 . 1 1 24 24 GLY HA3 H 1 3.898 0.01 . 1 . 1418 . A 24 GLY HA3 . 25064 1 106 . 1 1 25 25 VAL HA H 1 4.598 0.0 . 1 . 1449 . A 25 VAL HA . 25064 1 107 . 1 1 25 25 VAL HB H 1 2.147 0.002 . 1 . 1357 . A 25 VAL HB . 25064 1 108 . 1 1 25 25 VAL HG11 H 1 0.877 0.001 . 2 . 1451 . A 25 VAL HG11 . 25064 1 109 . 1 1 25 25 VAL HG12 H 1 0.877 0.001 . 2 . 1451 . A 25 VAL HG12 . 25064 1 110 . 1 1 25 25 VAL HG13 H 1 0.877 0.001 . 2 . 1451 . A 25 VAL HG13 . 25064 1 111 . 1 1 25 25 VAL HG21 H 1 0.719 0.001 . 2 . 1450 . A 25 VAL HG21 . 25064 1 112 . 1 1 25 25 VAL HG22 H 1 0.719 0.001 . 2 . 1450 . A 25 VAL HG22 . 25064 1 113 . 1 1 25 25 VAL HG23 H 1 0.719 0.001 . 2 . 1450 . A 25 VAL HG23 . 25064 1 114 . 1 1 26 26 GLU HA H 1 4.016 0.01 . 1 . 1274 . A 26 GLU HA . 25064 1 115 . 1 1 26 26 GLU HG2 H 1 2.293 0.01 . 1 . 1518 . A 26 GLU HG2 . 25064 1 116 . 1 1 27 27 ARG HA H 1 4.471 0.0 . 1 . 1315 . A 27 ARG HA . 25064 1 117 . 1 1 27 27 ARG HB2 H 1 1.731 0.01 . 2 . 1317 . A 27 ARG HB2 . 25064 1 118 . 1 1 27 27 ARG HB3 H 1 1.664 0.01 . 2 . 1316 . A 27 ARG HB3 . 25064 1 119 . 1 1 27 27 ARG HG2 H 1 1.485 0.011 . 2 . 1469 . A 27 ARG HG2 . 25064 1 120 . 1 1 27 27 ARG HG3 H 1 1.434 0.016 . 2 . 1468 . A 27 ARG HG3 . 25064 1 121 . 1 1 27 27 ARG HD2 H 1 3.128 0.002 . 1 . 1741 . A 27 ARG HD2 . 25064 1 122 . 1 1 27 27 ARG HD3 H 1 3.128 0.002 . 1 . 1740 . A 27 ARG HD3 . 25064 1 123 . 1 1 28 28 VAL HA H 1 4.090 0.004 . 1 . 1253 . A 28 VAL HA . 25064 1 124 . 1 1 28 28 VAL HB H 1 2.028 0.006 . 1 . 1254 . A 28 VAL HB . 25064 1 125 . 1 1 28 28 VAL HG11 H 1 1.054 0.001 . 2 . 1479 . A 28 VAL HG11 . 25064 1 126 . 1 1 28 28 VAL HG12 H 1 1.054 0.001 . 2 . 1479 . A 28 VAL HG12 . 25064 1 127 . 1 1 28 28 VAL HG13 H 1 1.054 0.001 . 2 . 1479 . A 28 VAL HG13 . 25064 1 128 . 1 1 28 28 VAL HG21 H 1 0.837 0.003 . 2 . 1480 . A 28 VAL HG21 . 25064 1 129 . 1 1 28 28 VAL HG22 H 1 0.837 0.003 . 2 . 1480 . A 28 VAL HG22 . 25064 1 130 . 1 1 28 28 VAL HG23 H 1 0.837 0.003 . 2 . 1480 . A 28 VAL HG23 . 25064 1 131 . 1 1 30 30 VAL HA H 1 3.570 0.01 . 1 . 1358 . A 30 VAL HA . 25064 1 132 . 1 1 30 30 VAL HB H 1 2.002 0.01 . 1 . 1359 . A 30 VAL HB . 25064 1 133 . 1 1 30 30 VAL HG11 H 1 0.827 0.01 . 1 . 1445 . A 30 VAL HG11 . 25064 1 134 . 1 1 30 30 VAL HG12 H 1 0.827 0.01 . 1 . 1445 . A 30 VAL HG12 . 25064 1 135 . 1 1 30 30 VAL HG13 H 1 0.827 0.01 . 1 . 1445 . A 30 VAL HG13 . 25064 1 136 . 1 1 30 30 VAL HG21 H 1 0.827 0.01 . 1 . 1446 . A 30 VAL HG21 . 25064 1 137 . 1 1 30 30 VAL HG22 H 1 0.827 0.01 . 1 . 1446 . A 30 VAL HG22 . 25064 1 138 . 1 1 30 30 VAL HG23 H 1 0.827 0.01 . 1 . 1446 . A 30 VAL HG23 . 25064 1 139 . 1 1 31 31 ASP HA H 1 5.046 0.002 . 1 . 1323 . A 31 ASP HA . 25064 1 140 . 1 1 31 31 ASP HB2 H 1 2.952 0.006 . 2 . 1324 . A 31 ASP HB2 . 25064 1 141 . 1 1 31 31 ASP HB3 H 1 2.471 0.02 . 2 . 1325 . A 31 ASP HB3 . 25064 1 142 . 1 1 32 32 ASP HA H 1 4.615 0.006 . 1 . 1433 . A 32 ASP HA . 25064 1 143 . 1 1 32 32 ASP HB2 H 1 2.428 0.012 . 2 . 1339 . A 32 ASP HB2 . 25064 1 144 . 1 1 32 32 ASP HB3 H 1 2.947 0.002 . 2 . 1435 . A 32 ASP HB3 . 25064 1 145 . 1 1 33 33 ALA HA H 1 4.101 0.01 . 1 . 1300 . A 33 ALA HA . 25064 1 146 . 1 1 33 33 ALA HB1 H 1 1.351 0.01 . 1 . 1301 . A 33 ALA HB1 . 25064 1 147 . 1 1 33 33 ALA HB2 H 1 1.351 0.01 . 1 . 1301 . A 33 ALA HB2 . 25064 1 148 . 1 1 33 33 ALA HB3 H 1 1.351 0.01 . 1 . 1301 . A 33 ALA HB3 . 25064 1 149 . 1 1 34 34 PHE HA H 1 3.973 0.01 . 1 . 497 . A 34 PHE HA . 25064 1 150 . 1 1 34 34 PHE HB2 H 1 2.847 0.01 . 2 . 501 . A 34 PHE HB2 . 25064 1 151 . 1 1 34 34 PHE HB3 H 1 3.278 0.01 . 2 . 498 . A 34 PHE HB3 . 25064 1 152 . 1 1 34 34 PHE HD1 H 1 6.539 0.001 . 3 . 1700 . A 34 PHE HD1 . 25064 1 153 . 1 1 34 34 PHE HD2 H 1 6.539 0.001 . 3 . 1700 . A 34 PHE HD2 . 25064 1 154 . 1 1 34 34 PHE HE1 H 1 6.933 0.001 . 3 . 1701 . A 34 PHE HE1 . 25064 1 155 . 1 1 34 34 PHE HE2 H 1 6.933 0.001 . 3 . 1701 . A 34 PHE HE2 . 25064 1 156 . 1 1 34 34 PHE HZ H 1 6.899 0.01 . 1 . 1812 . A 34 PHE HZ . 25064 1 157 . 1 1 35 35 HIS HA H 1 4.297 0.0 . 1 . 1831 . A 35 HIS HA . 25064 1 158 . 1 1 35 35 HIS HB2 H 1 3.139 0.01 . 2 . 1818 . A 35 HIS HB2 . 25064 1 159 . 1 1 35 35 HIS HB3 H 1 3.139 0.0 . 2 . 1830 . A 35 HIS HB3 . 25064 1 160 . 1 1 35 35 HIS HD2 H 1 7.015 0.001 . 1 . 1811 . A 35 HIS HD2 . 25064 1 161 . 1 1 35 35 HIS HE1 H 1 7.486 0.01 . 1 . 1845 . A 35 HIS HE1 . 25064 1 162 . 1 1 36 36 ASP HA H 1 4.515 0.0 . 1 . 1330 . A 36 ASP HA . 25064 1 163 . 1 1 36 36 ASP HB2 H 1 2.706 0.004 . 1 . 1331 . A 36 ASP HB2 . 25064 1 164 . 1 1 36 36 ASP HB3 H 1 2.706 0.004 . 1 . 1476 . A 36 ASP HB3 . 25064 1 165 . 1 1 37 37 LEU H H 1 7.119 0.01 . 1 . 1001 . A 37 LEU H . 25064 1 166 . 1 1 37 37 LEU HA H 1 4.353 0.002 . 1 . 1294 . A 37 LEU HA . 25064 1 167 . 1 1 37 37 LEU HB2 H 1 1.767 0.007 . 2 . 1296 . A 37 LEU HB2 . 25064 1 168 . 1 1 37 37 LEU HB3 H 1 1.577 0.002 . 2 . 1295 . A 37 LEU HB3 . 25064 1 169 . 1 1 37 37 LEU HG H 1 1.701 0.01 . 1 . 1474 . A 37 LEU HG . 25064 1 170 . 1 1 37 37 LEU HD11 H 1 0.917 0.01 . 2 . 1744 . A 37 LEU HD11 . 25064 1 171 . 1 1 37 37 LEU HD12 H 1 0.917 0.01 . 2 . 1744 . A 37 LEU HD12 . 25064 1 172 . 1 1 37 37 LEU HD13 H 1 0.917 0.01 . 2 . 1744 . A 37 LEU HD13 . 25064 1 173 . 1 1 37 37 LEU HD21 H 1 0.931 0.003 . 2 . 1475 . A 37 LEU HD21 . 25064 1 174 . 1 1 37 37 LEU HD22 H 1 0.931 0.003 . 2 . 1475 . A 37 LEU HD22 . 25064 1 175 . 1 1 37 37 LEU HD23 H 1 0.931 0.003 . 2 . 1475 . A 37 LEU HD23 . 25064 1 176 . 1 1 40 40 SER HB2 H 1 4.333 0.01 . 2 . 1746 . A 40 SER HB2 . 25064 1 177 . 1 1 40 40 SER HB3 H 1 4.005 0.01 . 2 . 1747 . A 40 SER HB3 . 25064 1 178 . 1 1 42 42 ALA HA H 1 4.210 0.0 . 1 . 1285 . A 42 ALA HA . 25064 1 179 . 1 1 42 42 ALA HB1 H 1 1.437 0.0 . 1 . 1284 . A 42 ALA HB1 . 25064 1 180 . 1 1 42 42 ALA HB2 H 1 1.437 0.0 . 1 . 1284 . A 42 ALA HB2 . 25064 1 181 . 1 1 42 42 ALA HB3 H 1 1.437 0.0 . 1 . 1284 . A 42 ALA HB3 . 25064 1 182 . 1 1 43 43 LEU HA H 1 4.139 0.01 . 1 . 1348 . A 43 LEU HA . 25064 1 183 . 1 1 43 43 LEU HB3 H 1 1.823 0.01 . 1 . 504 . A 43 LEU HB3 . 25064 1 184 . 1 1 43 43 LEU HG H 1 1.754 0.01 . 1 . 1834 . A 43 LEU HG . 25064 1 185 . 1 1 43 43 LEU HD11 H 1 0.964 0.0 . 2 . 1749 . A 43 LEU HD11 . 25064 1 186 . 1 1 43 43 LEU HD12 H 1 0.964 0.0 . 2 . 1749 . A 43 LEU HD12 . 25064 1 187 . 1 1 43 43 LEU HD13 H 1 0.964 0.0 . 2 . 1749 . A 43 LEU HD13 . 25064 1 188 . 1 1 43 43 LEU HD21 H 1 0.930 0.01 . 2 . 1750 . A 43 LEU HD21 . 25064 1 189 . 1 1 43 43 LEU HD22 H 1 0.930 0.01 . 2 . 1750 . A 43 LEU HD22 . 25064 1 190 . 1 1 43 43 LEU HD23 H 1 0.930 0.01 . 2 . 1750 . A 43 LEU HD23 . 25064 1 191 . 1 1 44 44 ALA HA H 1 3.604 0.005 . 1 . 1261 . A 44 ALA HA . 25064 1 192 . 1 1 44 44 ALA HB1 H 1 1.447 0.001 . 1 . 1262 . A 44 ALA HB1 . 25064 1 193 . 1 1 44 44 ALA HB2 H 1 1.447 0.001 . 1 . 1262 . A 44 ALA HB2 . 25064 1 194 . 1 1 44 44 ALA HB3 H 1 1.447 0.001 . 1 . 1262 . A 44 ALA HB3 . 25064 1 195 . 1 1 45 45 MET HA H 1 4.171 0.002 . 1 . 1367 . A 45 MET HA . 25064 1 196 . 1 1 45 45 MET HB2 H 1 2.124 0.004 . 2 . 1436 . A 45 MET HB2 . 25064 1 197 . 1 1 45 45 MET HB3 H 1 2.226 0.004 . 2 . 1369 . A 45 MET HB3 . 25064 1 198 . 1 1 45 45 MET HG2 H 1 2.790 0.004 . 2 . 1368 . A 45 MET HG2 . 25064 1 199 . 1 1 45 45 MET HG3 H 1 2.706 0.006 . 2 . 1472 . A 45 MET HG3 . 25064 1 200 . 1 1 45 45 MET HE1 H 1 2.124 0.004 . 1 . 1752 . A 45 MET HE1 . 25064 1 201 . 1 1 45 45 MET HE2 H 1 2.124 0.004 . 1 . 1752 . A 45 MET HE2 . 25064 1 202 . 1 1 45 45 MET HE3 H 1 2.124 0.004 . 1 . 1752 . A 45 MET HE3 . 25064 1 203 . 1 1 46 46 ARG HA H 1 4.177 0.003 . 1 . 1819 . A 46 ARG HA . 25064 1 204 . 1 1 46 46 ARG HB2 H 1 2.040 0.0 . 1 . 1391 . A 46 ARG HB2 . 25064 1 205 . 1 1 46 46 ARG HB3 H 1 2.040 0.0 . 1 . 1392 . A 46 ARG HB3 . 25064 1 206 . 1 1 46 46 ARG HG2 H 1 1.730 0.01 . 1 . 1756 . A 46 ARG HG2 . 25064 1 207 . 1 1 46 46 ARG HD2 H 1 3.281 0.006 . 1 . 1754 . A 46 ARG HD2 . 25064 1 208 . 1 1 47 47 LEU HA H 1 3.886 0.01 . 1 . 1398 . A 47 LEU HA . 25064 1 209 . 1 1 47 47 LEU HB2 H 1 1.925 0.01 . 2 . 1399 . A 47 LEU HB2 . 25064 1 210 . 1 1 47 47 LEU HB3 H 1 1.225 0.01 . 2 . 1400 . A 47 LEU HB3 . 25064 1 211 . 1 1 47 47 LEU HG H 1 1.310 0.005 . 1 . 1692 . A 47 LEU HG . 25064 1 212 . 1 1 47 47 LEU HD11 H 1 0.185 0.001 . 2 . 1484 . A 47 LEU HD11 . 25064 1 213 . 1 1 47 47 LEU HD12 H 1 0.185 0.001 . 2 . 1484 . A 47 LEU HD12 . 25064 1 214 . 1 1 47 47 LEU HD13 H 1 0.185 0.001 . 2 . 1484 . A 47 LEU HD13 . 25064 1 215 . 1 1 47 47 LEU HD21 H 1 0.755 0.001 . 2 . 1693 . A 47 LEU HD21 . 25064 1 216 . 1 1 47 47 LEU HD22 H 1 0.755 0.001 . 2 . 1693 . A 47 LEU HD22 . 25064 1 217 . 1 1 47 47 LEU HD23 H 1 0.755 0.001 . 2 . 1693 . A 47 LEU HD23 . 25064 1 218 . 1 1 48 48 ILE HA H 1 3.557 0.002 . 1 . 1407 . A 48 ILE HA . 25064 1 219 . 1 1 48 48 ILE HG12 H 1 1.292 0.001 . 2 . 1508 . A 48 ILE HG12 . 25064 1 220 . 1 1 48 48 ILE HG13 H 1 1.503 0.001 . 2 . 1758 . A 48 ILE HG13 . 25064 1 221 . 1 1 48 48 ILE HG21 H 1 1.009 0.001 . 1 . 1507 . A 48 ILE HG21 . 25064 1 222 . 1 1 48 48 ILE HG22 H 1 1.009 0.001 . 1 . 1507 . A 48 ILE HG22 . 25064 1 223 . 1 1 48 48 ILE HG23 H 1 1.009 0.001 . 1 . 1507 . A 48 ILE HG23 . 25064 1 224 . 1 1 48 48 ILE HD11 H 1 0.722 0.002 . 1 . 1506 . A 48 ILE HD11 . 25064 1 225 . 1 1 48 48 ILE HD12 H 1 0.722 0.002 . 1 . 1506 . A 48 ILE HD12 . 25064 1 226 . 1 1 48 48 ILE HD13 H 1 0.722 0.002 . 1 . 1506 . A 48 ILE HD13 . 25064 1 227 . 1 1 49 49 ALA HA H 1 4.202 0.003 . 1 . 1335 . A 49 ALA HA . 25064 1 228 . 1 1 49 49 ALA HB1 H 1 1.530 0.029 . 1 . 1336 . A 49 ALA HB1 . 25064 1 229 . 1 1 49 49 ALA HB2 H 1 1.530 0.029 . 1 . 1336 . A 49 ALA HB2 . 25064 1 230 . 1 1 49 49 ALA HB3 H 1 1.530 0.029 . 1 . 1336 . A 49 ALA HB3 . 25064 1 231 . 1 1 51 51 ILE HA H 1 3.373 0.002 . 1 . 1383 . A 51 ILE HA . 25064 1 232 . 1 1 51 51 ILE HB H 1 2.011 0.001 . 1 . 1382 . A 51 ILE HB . 25064 1 233 . 1 1 51 51 ILE HG12 H 1 0.662 0.0 . 2 . 1505 . A 51 ILE HG12 . 25064 1 234 . 1 1 51 51 ILE HG13 H 1 1.939 0.001 . 2 . 1504 . A 51 ILE HG13 . 25064 1 235 . 1 1 51 51 ILE HG21 H 1 0.841 0.009 . 1 . 1503 . A 51 ILE HG21 . 25064 1 236 . 1 1 51 51 ILE HG22 H 1 0.841 0.009 . 1 . 1503 . A 51 ILE HG22 . 25064 1 237 . 1 1 51 51 ILE HG23 H 1 0.841 0.009 . 1 . 1503 . A 51 ILE HG23 . 25064 1 238 . 1 1 51 51 ILE HD11 H 1 0.662 0.0 . 1 . 1502 . A 51 ILE HD11 . 25064 1 239 . 1 1 51 51 ILE HD12 H 1 0.662 0.0 . 1 . 1502 . A 51 ILE HD12 . 25064 1 240 . 1 1 51 51 ILE HD13 H 1 0.662 0.0 . 1 . 1502 . A 51 ILE HD13 . 25064 1 241 . 1 1 52 52 ARG HA H 1 4.070 0.01 . 1 . 1360 . A 52 ARG HA . 25064 1 242 . 1 1 52 52 ARG HB2 H 1 1.924 0.01 . 2 . 1437 . A 52 ARG HB2 . 25064 1 243 . 1 1 52 52 ARG HB3 H 1 2.019 0.01 . 2 . 1361 . A 52 ARG HB3 . 25064 1 244 . 1 1 52 52 ARG HG2 H 1 1.517 0.004 . 2 . 1482 . A 52 ARG HG2 . 25064 1 245 . 1 1 52 52 ARG HG3 H 1 1.460 0.01 . 2 . 1483 . A 52 ARG HG3 . 25064 1 246 . 1 1 52 52 ARG HD2 H 1 3.057 0.0 . 1 . 1481 . A 52 ARG HD2 . 25064 1 247 . 1 1 53 53 GLU HA H 1 3.969 0.01 . 1 . 1393 . A 53 GLU HA . 25064 1 248 . 1 1 53 53 GLU HB2 H 1 2.271 0.01 . 2 . 1395 . A 53 GLU HB2 . 25064 1 249 . 1 1 53 53 GLU HB3 H 1 2.066 0.01 . 2 . 1394 . A 53 GLU HB3 . 25064 1 250 . 1 1 53 53 GLU HG2 H 1 2.271 0.0 . 2 . 1485 . A 53 GLU HG2 . 25064 1 251 . 1 1 53 53 GLU HG3 H 1 2.526 0.007 . 2 . 1712 . A 53 GLU HG3 . 25064 1 252 . 1 1 54 54 GLU HA H 1 4.362 0.002 . 1 . 1307 . A 54 GLU HA . 25064 1 253 . 1 1 54 54 GLU HB2 H 1 2.159 0.003 . 2 . 1309 . A 54 GLU HB2 . 25064 1 254 . 1 1 54 54 GLU HB3 H 1 1.783 0.002 . 2 . 1308 . A 54 GLU HB3 . 25064 1 255 . 1 1 54 54 GLU HG2 H 1 2.551 0.001 . 2 . 1490 . A 54 GLU HG2 . 25064 1 256 . 1 1 54 54 GLU HG3 H 1 2.328 0.001 . 2 . 1491 . A 54 GLU HG3 . 25064 1 257 . 1 1 55 55 LEU HA H 1 4.682 0.002 . 1 . 1332 . A 55 LEU HA . 25064 1 258 . 1 1 55 55 LEU HB2 H 1 1.609 0.002 . 2 . 1333 . A 55 LEU HB2 . 25064 1 259 . 1 1 55 55 LEU HB3 H 1 1.943 0.001 . 2 . 1334 . A 55 LEU HB3 . 25064 1 260 . 1 1 55 55 LEU HG H 1 1.508 0.006 . 1 . 1704 . A 55 LEU HG . 25064 1 261 . 1 1 55 55 LEU HD11 H 1 0.946 0.008 . 2 . 1702 . A 55 LEU HD11 . 25064 1 262 . 1 1 55 55 LEU HD12 H 1 0.946 0.008 . 2 . 1702 . A 55 LEU HD12 . 25064 1 263 . 1 1 55 55 LEU HD13 H 1 0.946 0.008 . 2 . 1702 . A 55 LEU HD13 . 25064 1 264 . 1 1 55 55 LEU HD21 H 1 0.833 0.002 . 2 . 1703 . A 55 LEU HD21 . 25064 1 265 . 1 1 55 55 LEU HD22 H 1 0.833 0.002 . 2 . 1703 . A 55 LEU HD22 . 25064 1 266 . 1 1 55 55 LEU HD23 H 1 0.833 0.002 . 2 . 1703 . A 55 LEU HD23 . 25064 1 267 . 1 1 57 57 VAL HA H 1 4.417 0.0 . 1 . 1328 . A 57 VAL HA . 25064 1 268 . 1 1 57 57 VAL HB H 1 1.685 0.001 . 1 . 1329 . A 57 VAL HB . 25064 1 269 . 1 1 57 57 VAL HG11 H 1 0.762 0.015 . 2 . 1462 . A 57 VAL HG11 . 25064 1 270 . 1 1 57 57 VAL HG12 H 1 0.762 0.015 . 2 . 1462 . A 57 VAL HG12 . 25064 1 271 . 1 1 57 57 VAL HG13 H 1 0.762 0.015 . 2 . 1462 . A 57 VAL HG13 . 25064 1 272 . 1 1 57 57 VAL HG21 H 1 0.741 0.002 . 2 . 1705 . A 57 VAL HG21 . 25064 1 273 . 1 1 57 57 VAL HG22 H 1 0.741 0.002 . 2 . 1705 . A 57 VAL HG22 . 25064 1 274 . 1 1 57 57 VAL HG23 H 1 0.741 0.002 . 2 . 1705 . A 57 VAL HG23 . 25064 1 275 . 1 1 58 58 ASP HA H 1 4.686 0.004 . 1 . 1277 . A 58 ASP HA . 25064 1 276 . 1 1 58 58 ASP HB2 H 1 2.401 0.011 . 2 . 1279 . A 58 ASP HB2 . 25064 1 277 . 1 1 58 58 ASP HB3 H 1 2.556 0.006 . 2 . 1278 . A 58 ASP HB3 . 25064 1 278 . 1 1 59 59 LEU HA H 1 4.501 0.001 . 1 . 1455 . A 59 LEU HA . 25064 1 279 . 1 1 59 59 LEU HB2 H 1 1.069 0.001 . 2 . 1459 . A 59 LEU HB2 . 25064 1 280 . 1 1 59 59 LEU HB3 H 1 1.743 0.002 . 2 . 1458 . A 59 LEU HB3 . 25064 1 281 . 1 1 59 59 LEU HG H 1 1.396 0.002 . 1 . 1707 . A 59 LEU HG . 25064 1 282 . 1 1 59 59 LEU HD11 H 1 0.721 0.01 . 2 . 1456 . A 59 LEU HD11 . 25064 1 283 . 1 1 59 59 LEU HD12 H 1 0.721 0.01 . 2 . 1456 . A 59 LEU HD12 . 25064 1 284 . 1 1 59 59 LEU HD13 H 1 0.721 0.01 . 2 . 1456 . A 59 LEU HD13 . 25064 1 285 . 1 1 59 59 LEU HD21 H 1 0.642 0.019 . 2 . 1457 . A 59 LEU HD21 . 25064 1 286 . 1 1 59 59 LEU HD22 H 1 0.642 0.019 . 2 . 1457 . A 59 LEU HD22 . 25064 1 287 . 1 1 59 59 LEU HD23 H 1 0.642 0.019 . 2 . 1457 . A 59 LEU HD23 . 25064 1 288 . 1 1 60 60 PRO HA H 1 4.412 0.001 . 1 . 1427 . A 60 PRO HA . 25064 1 289 . 1 1 60 60 PRO HB2 H 1 2.402 0.001 . 2 . 1428 . A 60 PRO HB2 . 25064 1 290 . 1 1 60 60 PRO HB3 H 1 1.762 0.001 . 2 . 1429 . A 60 PRO HB3 . 25064 1 291 . 1 1 60 60 PRO HD2 H 1 3.283 0.01 . 1 . 1714 . A 60 PRO HD2 . 25064 1 292 . 1 1 61 61 ILE HB H 1 1.713 0.003 . 1 . 1426 . A 61 ILE HB . 25064 1 293 . 1 1 61 61 ILE HG12 H 1 0.996 0.007 . 2 . 1759 . A 61 ILE HG12 . 25064 1 294 . 1 1 61 61 ILE HG13 H 1 1.213 0.004 . 2 . 1715 . A 61 ILE HG13 . 25064 1 295 . 1 1 61 61 ILE HG21 H 1 0.879 0.003 . 1 . 1471 . A 61 ILE HG21 . 25064 1 296 . 1 1 61 61 ILE HG22 H 1 0.879 0.003 . 1 . 1471 . A 61 ILE HG22 . 25064 1 297 . 1 1 61 61 ILE HG23 H 1 0.879 0.003 . 1 . 1471 . A 61 ILE HG23 . 25064 1 298 . 1 1 61 61 ILE HD11 H 1 0.879 0.003 . 1 . 1470 . A 61 ILE HD11 . 25064 1 299 . 1 1 61 61 ILE HD12 H 1 0.879 0.003 . 1 . 1470 . A 61 ILE HD12 . 25064 1 300 . 1 1 61 61 ILE HD13 H 1 0.879 0.003 . 1 . 1470 . A 61 ILE HD13 . 25064 1 301 . 1 1 62 62 ARG HA H 1 4.059 0.01 . 1 . 1438 . A 62 ARG HA . 25064 1 302 . 1 1 62 62 ARG HB3 H 1 1.741 0.01 . 1 . 1342 . A 62 ARG HB3 . 25064 1 303 . 1 1 63 63 GLN HA H 1 4.023 0.004 . 1 . 1310 . A 63 GLN HA . 25064 1 304 . 1 1 63 63 GLN HB3 H 1 2.073 0.01 . 1 . 1311 . A 63 GLN HB3 . 25064 1 305 . 1 1 63 63 GLN HG2 H 1 2.185 0.01 . 1 . 1716 . A 63 GLN HG2 . 25064 1 306 . 1 1 63 63 GLN HG3 H 1 2.185 0.01 . 1 . 1763 . A 63 GLN HG3 . 25064 1 307 . 1 1 64 64 LEU H H 1 7.215 0.01 . 1 . 1003 . A 64 LEU H . 25064 1 308 . 1 1 64 64 LEU HA H 1 3.862 0.001 . 1 . 1286 . A 64 LEU HA . 25064 1 309 . 1 1 64 64 LEU HB2 H 1 1.606 0.001 . 2 . 1288 . A 64 LEU HB2 . 25064 1 310 . 1 1 64 64 LEU HB3 H 1 1.063 0.009 . 2 . 1287 . A 64 LEU HB3 . 25064 1 311 . 1 1 64 64 LEU HG H 1 1.061 0.009 . 1 . 1477 . A 64 LEU HG . 25064 1 312 . 1 1 64 64 LEU HD11 H 1 0.434 0.0 . 2 . 1765 . A 64 LEU HD11 . 25064 1 313 . 1 1 64 64 LEU HD12 H 1 0.434 0.0 . 2 . 1765 . A 64 LEU HD12 . 25064 1 314 . 1 1 64 64 LEU HD13 H 1 0.434 0.0 . 2 . 1765 . A 64 LEU HD13 . 25064 1 315 . 1 1 64 64 LEU HD21 H 1 0.191 0.01 . 1 . 602 . A 64 LEU HD21 . 25064 1 316 . 1 1 64 64 LEU HD22 H 1 0.191 0.01 . 1 . 602 . A 64 LEU HD22 . 25064 1 317 . 1 1 64 64 LEU HD23 H 1 0.191 0.01 . 1 . 602 . A 64 LEU HD23 . 25064 1 318 . 1 1 65 65 PHE HA H 1 4.368 0.002 . 1 . 1441 . A 65 PHE HA . 25064 1 319 . 1 1 65 65 PHE HB2 H 1 2.958 0.003 . 2 . 1268 . A 65 PHE HB2 . 25064 1 320 . 1 1 65 65 PHE HB3 H 1 3.211 0.01 . 2 . 1269 . A 65 PHE HB3 . 25064 1 321 . 1 1 65 65 PHE HD1 H 1 7.090 0.003 . 3 . 1810 . A 65 PHE HD1 . 25064 1 322 . 1 1 65 65 PHE HD2 H 1 7.090 0.003 . 3 . 1810 . A 65 PHE HD2 . 25064 1 323 . 1 1 65 65 PHE HE1 H 1 7.169 0.005 . 3 . 1809 . A 65 PHE HE1 . 25064 1 324 . 1 1 65 65 PHE HE2 H 1 7.169 0.005 . 3 . 1809 . A 65 PHE HE2 . 25064 1 325 . 1 1 65 65 PHE HZ H 1 7.214 0.001 . 1 . 1808 . A 65 PHE HZ . 25064 1 326 . 1 1 66 66 SER HA H 1 4.372 0.0 . 1 . 1258 . A 66 SER HA . 25064 1 327 . 1 1 66 66 SER HB2 H 1 3.970 0.01 . 2 . 1259 . A 66 SER HB2 . 25064 1 328 . 1 1 66 66 SER HB3 H 1 3.937 0.01 . 2 . 1260 . A 66 SER HB3 . 25064 1 329 . 1 1 68 68 PRO HA H 1 5.007 0.0 . 1 . 1320 . A 68 PRO HA . 25064 1 330 . 1 1 68 68 PRO HB2 H 1 2.362 0.021 . 2 . 1321 . A 68 PRO HB2 . 25064 1 331 . 1 1 68 68 PRO HB3 H 1 2.544 0.006 . 2 . 1322 . A 68 PRO HB3 . 25064 1 332 . 1 1 69 69 THR HA H 1 5.524 0.01 . 1 . 674 . A 69 THR HA . 25064 1 333 . 1 1 69 69 THR HB H 1 4.692 0.004 . 1 . 1494 . A 69 THR HB . 25064 1 334 . 1 1 69 69 THR HG21 H 1 1.030 0.0 . 1 . 1820 . A 69 THR HG21 . 25064 1 335 . 1 1 69 69 THR HG22 H 1 1.030 0.0 . 1 . 1820 . A 69 THR HG22 . 25064 1 336 . 1 1 69 69 THR HG23 H 1 1.030 0.0 . 1 . 1820 . A 69 THR HG23 . 25064 1 337 . 1 1 70 70 PRO HA H 1 3.814 0.01 . 1 . 1299 . A 70 PRO HA . 25064 1 338 . 1 1 70 70 PRO HB2 H 1 1.596 0.012 . 2 . 1298 . A 70 PRO HB2 . 25064 1 339 . 1 1 70 70 PRO HB3 H 1 1.870 0.01 . 2 . 1297 . A 70 PRO HB3 . 25064 1 340 . 1 1 71 71 ALA HA H 1 4.129 0.01 . 1 . 1289 . A 71 ALA HA . 25064 1 341 . 1 1 71 71 ALA HB1 H 1 1.309 0.01 . 1 . 1290 . A 71 ALA HB1 . 25064 1 342 . 1 1 71 71 ALA HB2 H 1 1.309 0.01 . 1 . 1290 . A 71 ALA HB2 . 25064 1 343 . 1 1 71 71 ALA HB3 H 1 1.309 0.01 . 1 . 1290 . A 71 ALA HB3 . 25064 1 344 . 1 1 73 73 VAL HA H 1 3.567 0.001 . 1 . 1313 . A 73 VAL HA . 25064 1 345 . 1 1 73 73 VAL HB H 1 2.072 0.001 . 1 . 1314 . A 73 VAL HB . 25064 1 346 . 1 1 73 73 VAL HG11 H 1 0.817 0.001 . 2 . 1461 . A 73 VAL HG11 . 25064 1 347 . 1 1 73 73 VAL HG12 H 1 0.817 0.001 . 2 . 1461 . A 73 VAL HG12 . 25064 1 348 . 1 1 73 73 VAL HG13 H 1 0.817 0.001 . 2 . 1461 . A 73 VAL HG13 . 25064 1 349 . 1 1 73 73 VAL HG21 H 1 1.142 0.001 . 2 . 1460 . A 73 VAL HG21 . 25064 1 350 . 1 1 73 73 VAL HG22 H 1 1.142 0.001 . 2 . 1460 . A 73 VAL HG22 . 25064 1 351 . 1 1 73 73 VAL HG23 H 1 1.142 0.001 . 2 . 1460 . A 73 VAL HG23 . 25064 1 352 . 1 1 74 74 ALA HA H 1 3.777 0.002 . 1 . 1340 . A 74 ALA HA . 25064 1 353 . 1 1 74 74 ALA HB1 H 1 1.430 0.001 . 1 . 1341 . A 74 ALA HB1 . 25064 1 354 . 1 1 74 74 ALA HB2 H 1 1.430 0.001 . 1 . 1341 . A 74 ALA HB2 . 25064 1 355 . 1 1 74 74 ALA HB3 H 1 1.430 0.001 . 1 . 1341 . A 74 ALA HB3 . 25064 1 356 . 1 1 75 75 ARG HA H 1 4.047 0.001 . 1 . 1354 . A 75 ARG HA . 25064 1 357 . 1 1 75 75 ARG HB2 H 1 1.867 0.002 . 1 . 1355 . A 75 ARG HB2 . 25064 1 358 . 1 1 75 75 ARG HG2 H 1 1.589 0.01 . 1 . 1464 . A 75 ARG HG2 . 25064 1 359 . 1 1 75 75 ARG HD2 H 1 3.290 0.001 . 2 . 1775 . A 75 ARG HD2 . 25064 1 360 . 1 1 75 75 ARG HD3 H 1 3.154 0.01 . 2 . 1777 . A 75 ARG HD3 . 25064 1 361 . 1 1 77 77 LEU HA H 1 3.980 0.001 . 1 . 1412 . A 77 LEU HA . 25064 1 362 . 1 1 77 77 LEU HB2 H 1 1.844 0.01 . 2 . 1413 . A 77 LEU HB2 . 25064 1 363 . 1 1 77 77 LEU HB3 H 1 1.503 0.01 . 2 . 1442 . A 77 LEU HB3 . 25064 1 364 . 1 1 77 77 LEU HG H 1 1.958 0.01 . 1 . 1776 . A 77 LEU HG . 25064 1 365 . 1 1 77 77 LEU HD11 H 1 0.734 0.003 . 1 . 1779 . A 77 LEU HD11 . 25064 1 366 . 1 1 77 77 LEU HD12 H 1 0.734 0.003 . 1 . 1779 . A 77 LEU HD12 . 25064 1 367 . 1 1 77 77 LEU HD13 H 1 0.734 0.003 . 1 . 1779 . A 77 LEU HD13 . 25064 1 368 . 1 1 78 78 ALA HA H 1 4.169 0.0 . 1 . 1396 . A 78 ALA HA . 25064 1 369 . 1 1 78 78 ALA HB1 H 1 1.479 0.001 . 1 . 1397 . A 78 ALA HB1 . 25064 1 370 . 1 1 78 78 ALA HB2 H 1 1.479 0.001 . 1 . 1397 . A 78 ALA HB2 . 25064 1 371 . 1 1 78 78 ALA HB3 H 1 1.479 0.001 . 1 . 1397 . A 78 ALA HB3 . 25064 1 372 . 1 1 83 83 SER HA H 1 4.319 0.01 . 1 . 1303 . A 83 SER HA . 25064 1 373 . 1 1 83 83 SER HB2 H 1 3.812 0.01 . 1 . 1302 . A 83 SER HB2 . 25064 1 374 . 1 1 83 83 SER HB3 H 1 3.812 0.01 . 1 . 1787 . A 83 SER HB3 . 25064 1 375 . 1 1 84 84 TRP HA H 1 4.678 0.01 . 1 . 529 . A 84 TRP HA . 25064 1 376 . 1 1 84 84 TRP HB2 H 1 3.257 0.003 . 1 . 1293 . A 84 TRP HB2 . 25064 1 377 . 1 1 84 84 TRP HB3 H 1 3.257 0.003 . 1 . 1806 . A 84 TRP HB3 . 25064 1 378 . 1 1 84 84 TRP HE3 H 1 7.511 0.001 . 1 . 1814 . A 84 TRP HE3 . 25064 1 379 . 1 1 84 84 TRP HZ2 H 1 7.405 0.002 . 1 . 1685 . A 84 TRP HZ2 . 25064 1 380 . 1 1 84 84 TRP HZ3 H 1 6.999 0.002 . 1 . 1686 . A 84 TRP HZ3 . 25064 1 381 . 1 1 84 84 TRP HH2 H 1 7.108 0.002 . 1 . 1813 . A 84 TRP HH2 . 25064 1 382 . 1 1 86 86 HIS HD2 H 1 6.997 0.01 . 1 . 1846 . A 86 HIS HD2 . 25064 1 383 . 1 1 87 87 PRO HA H 1 4.329 0.01 . 1 . 1384 . A 87 PRO HA . 25064 1 384 . 1 1 87 87 PRO HB2 H 1 2.210 0.01 . 2 . 1385 . A 87 PRO HB2 . 25064 1 385 . 1 1 87 87 PRO HB3 H 1 1.763 0.001 . 2 . 1386 . A 87 PRO HB3 . 25064 1 386 . 1 1 87 87 PRO HG2 H 1 1.940 0.0 . 1 . 1804 . A 87 PRO HG2 . 25064 1 387 . 1 1 87 87 PRO HG3 H 1 1.940 0.0 . 1 . 1805 . A 87 PRO HG3 . 25064 1 388 . 1 1 89 89 PHE HA H 1 4.716 0.01 . 1 . 1364 . A 89 PHE HA . 25064 1 389 . 1 1 89 89 PHE HB2 H 1 3.165 0.01 . 2 . 1365 . A 89 PHE HB2 . 25064 1 390 . 1 1 89 89 PHE HB3 H 1 2.960 0.004 . 2 . 1366 . A 89 PHE HB3 . 25064 1 391 . 1 1 89 89 PHE HD1 H 1 7.226 0.003 . 3 . 1816 . A 89 PHE HD1 . 25064 1 392 . 1 1 89 89 PHE HD2 H 1 7.226 0.003 . 3 . 1816 . A 89 PHE HD2 . 25064 1 393 . 1 1 89 89 PHE HE1 H 1 7.285 0.002 . 3 . 1817 . A 89 PHE HE1 . 25064 1 394 . 1 1 89 89 PHE HE2 H 1 7.285 0.002 . 3 . 1817 . A 89 PHE HE2 . 25064 1 395 . 1 1 89 89 PHE HZ H 1 7.281 0.01 . 1 . 1815 . A 89 PHE HZ . 25064 1 396 . 1 1 91 91 LYS HA H 1 4.105 0.003 . 1 . 1421 . A 91 LYS HA . 25064 1 397 . 1 1 91 91 LYS HB2 H 1 1.800 0.01 . 1 . 1422 . A 91 LYS HB2 . 25064 1 398 . 1 1 91 91 LYS HG2 H 1 1.348 0.0 . 1 . 1510 . A 91 LYS HG2 . 25064 1 399 . 1 1 91 91 LYS HD3 H 1 1.665 0.01 . 1 . 1509 . A 91 LYS HD3 . 25064 1 400 . 1 1 91 91 LYS HE3 H 1 2.967 0.01 . 1 . 1797 . A 91 LYS HE3 . 25064 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2 _Assigned_chem_shift_list.Entry_ID 25064 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '3D 1H-13C NOESY' . . isotropic 25064 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 25064 2 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 5 5 LYS HA H 1 4.242 0.004 . 1 . 1406 . A 5 LYS HA . 25064 2 2 . 1 1 5 5 LYS HB2 H 1 1.693 0.004 . 1 . 1730 . A 5 LYS HB2 . 25064 2 3 . 1 1 5 5 LYS HB3 H 1 1.693 0.004 . 1 . 1731 . A 5 LYS HB3 . 25064 2 4 . 1 1 5 5 LYS HG2 H 1 1.410 0.003 . 2 . 1728 . A 5 LYS HG2 . 25064 2 5 . 1 1 5 5 LYS HG3 H 1 1.401 0.007 . 2 . 1729 . A 5 LYS HG3 . 25064 2 6 . 1 1 5 5 LYS HD2 H 1 1.623 0.004 . 1 . 1726 . A 5 LYS HD2 . 25064 2 7 . 1 1 5 5 LYS HD3 H 1 1.623 0.004 . 1 . 1727 . A 5 LYS HD3 . 25064 2 8 . 1 1 5 5 LYS HE2 H 1 2.948 0.005 . 1 . 1725 . A 5 LYS HE2 . 25064 2 9 . 1 1 5 5 LYS CA C 13 55.976 0.043 . 1 . 1022 . A 5 LYS CA . 25064 2 10 . 1 1 5 5 LYS CB C 13 33.178 0.085 . 1 . 1025 . A 5 LYS CB . 25064 2 11 . 1 1 5 5 LYS CG C 13 24.472 0.013 . 1 . 1524 . A 5 LYS CG . 25064 2 12 . 1 1 5 5 LYS CD C 13 28.974 0.017 . 1 . 1520 . A 5 LYS CD . 25064 2 13 . 1 1 7 7 PRO HA H 1 4.334 0.01 . 1 . 1343 . A 7 PRO HA . 25064 2 14 . 1 1 7 7 PRO HB3 H 1 1.824 0.01 . 1 . 1345 . A 7 PRO HB3 . 25064 2 15 . 1 1 7 7 PRO CB C 13 32.053 0.10 . 1 . 1042 . A 7 PRO CB . 25064 2 16 . 1 1 8 8 GLU H H 1 8.713 0.01 . 1 . 952 . A 8 GLU H . 25064 2 17 . 1 1 8 8 GLU HA H 1 4.368 0.01 . 1 . 1304 . A 8 GLU HA . 25064 2 18 . 1 1 9 9 SER HA H 1 4.502 0.01 . 1 . 1823 . A 9 SER HA . 25064 2 19 . 1 1 9 9 SER HB2 H 1 3.925 0.006 . 2 . 1825 . A 9 SER HB2 . 25064 2 20 . 1 1 9 9 SER HB3 H 1 4.243 0.004 . 2 . 1824 . A 9 SER HB3 . 25064 2 21 . 1 1 9 9 SER CB C 13 64.943 0.026 . 1 . 1035 . A 9 SER CB . 25064 2 22 . 1 1 11 11 THR H H 1 8.174 0.01 . 1 . 894 . A 11 THR H . 25064 2 23 . 1 1 11 11 THR HA H 1 3.803 0.007 . 1 . 1266 . A 11 THR HA . 25064 2 24 . 1 1 11 11 THR HB H 1 4.004 0.0 . 1 . 1267 . A 11 THR HB . 25064 2 25 . 1 1 11 11 THR HG21 H 1 1.207 0.003 . 1 . 1497 . A 11 THR HG21 . 25064 2 26 . 1 1 11 11 THR HG22 H 1 1.207 0.003 . 1 . 1497 . A 11 THR HG22 . 25064 2 27 . 1 1 11 11 THR HG23 H 1 1.207 0.003 . 1 . 1497 . A 11 THR HG23 . 25064 2 28 . 1 1 11 11 THR CA C 13 66.738 0.10 . 1 . 1038 . A 11 THR CA . 25064 2 29 . 1 1 11 11 THR CB C 13 68.152 0.10 . 1 . 1037 . A 11 THR CB . 25064 2 30 . 1 1 11 11 THR CG2 C 13 22.331 0.021 . 1 . 1529 . A 11 THR CG2 . 25064 2 31 . 1 1 12 12 GLU HA H 1 3.563 0.01 . 1 . 1255 . A 12 GLU HA . 25064 2 32 . 1 1 12 12 GLU HB2 H 1 1.719 0.003 . 2 . 1257 . A 12 GLU HB2 . 25064 2 33 . 1 1 12 12 GLU HB3 H 1 2.275 0.009 . 2 . 1256 . A 12 GLU HB3 . 25064 2 34 . 1 1 12 12 GLU HG2 H 1 1.827 0.0 . 2 . 1498 . A 12 GLU HG2 . 25064 2 35 . 1 1 12 12 GLU HG3 H 1 2.202 0.001 . 2 . 1499 . A 12 GLU HG3 . 25064 2 36 . 1 1 12 12 GLU CB C 13 29.873 0.01 . 1 . 1044 . A 12 GLU CB . 25064 2 37 . 1 1 12 12 GLU CG C 13 38.081 0.001 . 1 . 1534 . A 12 GLU CG . 25064 2 38 . 1 1 13 13 LYS H H 1 8.151 0.007 . 1 . 910 . A 13 LYS H . 25064 2 39 . 1 1 13 13 LYS HA H 1 3.884 0.003 . 1 . 1403 . A 13 LYS HA . 25064 2 40 . 1 1 13 13 LYS HB2 H 1 1.913 0.011 . 2 . 1404 . A 13 LYS HB2 . 25064 2 41 . 1 1 13 13 LYS HB3 H 1 1.903 0.007 . 2 . 1405 . A 13 LYS HB3 . 25064 2 42 . 1 1 13 13 LYS HG2 H 1 1.375 0.008 . 2 . 1486 . A 13 LYS HG2 . 25064 2 43 . 1 1 13 13 LYS HG3 H 1 1.560 0.001 . 2 . 1487 . A 13 LYS HG3 . 25064 2 44 . 1 1 13 13 LYS HD2 H 1 1.599 0.012 . 2 . 1402 . A 13 LYS HD2 . 25064 2 45 . 1 1 13 13 LYS HD3 H 1 1.614 0.003 . 2 . 1401 . A 13 LYS HD3 . 25064 2 46 . 1 1 13 13 LYS HE2 H 1 2.907 0.001 . 1 . 1860 . A 13 LYS HE2 . 25064 2 47 . 1 1 13 13 LYS HE3 H 1 2.907 0.001 . 1 . 1859 . A 13 LYS HE3 . 25064 2 48 . 1 1 13 13 LYS CA C 13 60.230 0.019 . 1 . 1041 . A 13 LYS CA . 25064 2 49 . 1 1 13 13 LYS CB C 13 32.324 0.059 . 1 . 1045 . A 13 LYS CB . 25064 2 50 . 1 1 13 13 LYS CG C 13 25.572 0.021 . 1 . 1533 . A 13 LYS CG . 25064 2 51 . 1 1 13 13 LYS CD C 13 29.443 0.033 . 1 . 1532 . A 13 LYS CD . 25064 2 52 . 1 1 13 13 LYS CE C 13 41.967 0.065 . 1 . 1858 . A 13 LYS CE . 25064 2 53 . 1 1 14 14 VAL H H 1 7.751 0.002 . 1 . 940 . A 14 VAL H . 25064 2 54 . 1 1 14 14 VAL HA H 1 3.776 0.008 . 1 . 1375 . A 14 VAL HA . 25064 2 55 . 1 1 14 14 VAL HB H 1 2.181 0.003 . 1 . 1376 . A 14 VAL HB . 25064 2 56 . 1 1 14 14 VAL HG11 H 1 0.902 0.004 . 2 . 1496 . A 14 VAL HG11 . 25064 2 57 . 1 1 14 14 VAL HG12 H 1 0.902 0.004 . 2 . 1496 . A 14 VAL HG12 . 25064 2 58 . 1 1 14 14 VAL HG13 H 1 0.902 0.004 . 2 . 1496 . A 14 VAL HG13 . 25064 2 59 . 1 1 14 14 VAL HG21 H 1 1.104 0.001 . 2 . 1495 . A 14 VAL HG21 . 25064 2 60 . 1 1 14 14 VAL HG22 H 1 1.104 0.001 . 2 . 1495 . A 14 VAL HG22 . 25064 2 61 . 1 1 14 14 VAL HG23 H 1 1.104 0.001 . 2 . 1495 . A 14 VAL HG23 . 25064 2 62 . 1 1 14 14 VAL CA C 13 66.085 0.074 . 1 . 1054 . A 14 VAL CA . 25064 2 63 . 1 1 14 14 VAL CB C 13 31.857 0.027 . 1 . 1046 . A 14 VAL CB . 25064 2 64 . 1 1 14 14 VAL CG2 C 13 22.340 0.019 . 1 . 1530 . A 14 VAL CG2 . 25064 2 65 . 1 1 15 15 LEU H H 1 8.320 0.01 . 1 . 930 . A 15 LEU H . 25064 2 66 . 1 1 15 15 LEU HA H 1 3.970 0.005 . 1 . 1370 . A 15 LEU HA . 25064 2 67 . 1 1 15 15 LEU HB2 H 1 1.074 0.001 . 2 . 1372 . A 15 LEU HB2 . 25064 2 68 . 1 1 15 15 LEU HB3 H 1 2.000 0.003 . 2 . 1371 . A 15 LEU HB3 . 25064 2 69 . 1 1 15 15 LEU HG H 1 1.817 0.01 . 1 . 1500 . A 15 LEU HG . 25064 2 70 . 1 1 15 15 LEU HD11 H 1 0.814 0.002 . 1 . 1501 . A 15 LEU HD11 . 25064 2 71 . 1 1 15 15 LEU HD12 H 1 0.814 0.002 . 1 . 1501 . A 15 LEU HD12 . 25064 2 72 . 1 1 15 15 LEU HD13 H 1 0.814 0.002 . 1 . 1501 . A 15 LEU HD13 . 25064 2 73 . 1 1 15 15 LEU CA C 13 58.524 0.10 . 1 . 1056 . A 15 LEU CA . 25064 2 74 . 1 1 15 15 LEU CB C 13 42.096 0.032 . 1 . 1058 . A 15 LEU CB . 25064 2 75 . 1 1 15 15 LEU CD1 C 13 23.377 0.006 . 1 . 1541 . A 15 LEU CD1 . 25064 2 76 . 1 1 16 16 CYS H H 1 8.520 0.01 . 1 . 904 . A 16 CYS H . 25064 2 77 . 1 1 16 16 CYS HA H 1 3.640 0.01 . 1 . 1346 . A 16 CYS HA . 25064 2 78 . 1 1 16 16 CYS HB3 H 1 2.972 0.004 . 1 . 1347 . A 16 CYS HB3 . 25064 2 79 . 1 1 16 16 CYS CB C 13 26.636 0.036 . 1 . 1059 . A 16 CYS CB . 25064 2 80 . 1 1 17 17 ALA H H 1 7.621 0.01 . 1 . 969 . A 17 ALA H . 25064 2 81 . 1 1 17 17 ALA HA H 1 4.200 0.01 . 1 . 1326 . A 17 ALA HA . 25064 2 82 . 1 1 17 17 ALA HB1 H 1 1.589 0.01 . 1 . 1327 . A 17 ALA HB1 . 25064 2 83 . 1 1 17 17 ALA HB2 H 1 1.589 0.01 . 1 . 1327 . A 17 ALA HB2 . 25064 2 84 . 1 1 17 17 ALA HB3 H 1 1.589 0.01 . 1 . 1327 . A 17 ALA HB3 . 25064 2 85 . 1 1 17 17 ALA CA C 13 55.224 0.10 . 1 . 1542 . A 17 ALA CA . 25064 2 86 . 1 1 18 18 LEU H H 1 8.662 0.001 . 1 . 1545 . A 18 LEU H . 25064 2 87 . 1 1 18 18 LEU HA H 1 4.222 0.005 . 1 . 1281 . A 18 LEU HA . 25064 2 88 . 1 1 18 18 LEU HB2 H 1 2.061 0.006 . 2 . 1282 . A 18 LEU HB2 . 25064 2 89 . 1 1 18 18 LEU HB3 H 1 1.244 0.003 . 2 . 1283 . A 18 LEU HB3 . 25064 2 90 . 1 1 18 18 LEU HD11 H 1 0.698 0.003 . 2 . 1735 . A 18 LEU HD11 . 25064 2 91 . 1 1 18 18 LEU HD12 H 1 0.698 0.003 . 2 . 1735 . A 18 LEU HD12 . 25064 2 92 . 1 1 18 18 LEU HD13 H 1 0.698 0.003 . 2 . 1735 . A 18 LEU HD13 . 25064 2 93 . 1 1 18 18 LEU HD21 H 1 0.821 0.003 . 2 . 1737 . A 18 LEU HD21 . 25064 2 94 . 1 1 18 18 LEU HD22 H 1 0.821 0.003 . 2 . 1737 . A 18 LEU HD22 . 25064 2 95 . 1 1 18 18 LEU HD23 H 1 0.821 0.003 . 2 . 1737 . A 18 LEU HD23 . 25064 2 96 . 1 1 18 18 LEU CB C 13 42.269 0.033 . 1 . 1538 . A 18 LEU CB . 25064 2 97 . 1 1 18 18 LEU CD1 C 13 26.019 0.043 . 2 . 1539 . A 18 LEU CD1 . 25064 2 98 . 1 1 18 18 LEU CD2 C 13 23.125 0.089 . 2 . 1736 . A 18 LEU CD2 . 25064 2 99 . 1 1 19 19 TYR HA H 1 3.996 0.009 . 1 . 1516 . A 19 TYR HA . 25064 2 100 . 1 1 19 19 TYR HB2 H 1 2.728 0.009 . 2 . 1514 . A 19 TYR HB2 . 25064 2 101 . 1 1 19 19 TYR HB3 H 1 3.512 0.004 . 2 . 1515 . A 19 TYR HB3 . 25064 2 102 . 1 1 19 19 TYR HD1 H 1 7.097 0.01 . 3 . 1699 . A 19 TYR HD1 . 25064 2 103 . 1 1 19 19 TYR HD2 H 1 7.097 0.01 . 3 . 1699 . A 19 TYR HD2 . 25064 2 104 . 1 1 19 19 TYR CA C 13 61.900 0.10 . 1 . 1535 . A 19 TYR CA . 25064 2 105 . 1 1 19 19 TYR CB C 13 39.408 0.031 . 1 . 1537 . A 19 TYR CB . 25064 2 106 . 1 1 20 20 ALA H H 1 7.801 0.01 . 1 . 938 . A 20 ALA H . 25064 2 107 . 1 1 20 20 ALA HA H 1 3.867 0.001 . 1 . 1373 . A 20 ALA HA . 25064 2 108 . 1 1 20 20 ALA HB1 H 1 1.497 0.01 . 1 . 1374 . A 20 ALA HB1 . 25064 2 109 . 1 1 20 20 ALA HB2 H 1 1.497 0.01 . 1 . 1374 . A 20 ALA HB2 . 25064 2 110 . 1 1 20 20 ALA HB3 H 1 1.497 0.01 . 1 . 1374 . A 20 ALA HB3 . 25064 2 111 . 1 1 20 20 ALA CA C 13 55.880 0.031 . 1 . 1057 . A 20 ALA CA . 25064 2 112 . 1 1 21 21 GLU H H 1 8.057 0.005 . 1 . 908 . A 21 GLU H . 25064 2 113 . 1 1 21 21 GLU HA H 1 3.983 0.002 . 1 . 1430 . A 21 GLU HA . 25064 2 114 . 1 1 21 21 GLU HB2 H 1 2.251 0.01 . 2 . 1387 . A 21 GLU HB2 . 25064 2 115 . 1 1 21 21 GLU HB3 H 1 2.288 0.01 . 2 . 1388 . A 21 GLU HB3 . 25064 2 116 . 1 1 21 21 GLU HG2 H 1 2.415 0.0 . 2 . 1447 . A 21 GLU HG2 . 25064 2 117 . 1 1 21 21 GLU HG3 H 1 1.959 0.005 . 2 . 1448 . A 21 GLU HG3 . 25064 2 118 . 1 1 21 21 GLU CA C 13 58.678 0.10 . 1 . 1074 . A 21 GLU CA . 25064 2 119 . 1 1 21 21 GLU CB C 13 30.357 0.035 . 1 . 1082 . A 21 GLU CB . 25064 2 120 . 1 1 21 21 GLU CG C 13 35.557 0.025 . 1 . 1547 . A 21 GLU CG . 25064 2 121 . 1 1 22 22 ILE H H 1 8.287 0.002 . 1 . 928 . A 22 ILE H . 25064 2 122 . 1 1 22 22 ILE HA H 1 3.901 0.01 . 1 . 1431 . A 22 ILE HA . 25064 2 123 . 1 1 22 22 ILE HB H 1 2.066 0.003 . 1 . 1432 . A 22 ILE HB . 25064 2 124 . 1 1 22 22 ILE HG12 H 1 1.361 0.01 . 1 . 1454 . A 22 ILE HG12 . 25064 2 125 . 1 1 22 22 ILE HD11 H 1 0.810 0.01 . 1 . 1517 . A 22 ILE HD11 . 25064 2 126 . 1 1 22 22 ILE HD12 H 1 0.810 0.01 . 1 . 1517 . A 22 ILE HD12 . 25064 2 127 . 1 1 22 22 ILE HD13 H 1 0.810 0.01 . 1 . 1517 . A 22 ILE HD13 . 25064 2 128 . 1 1 22 22 ILE CB C 13 37.134 0.037 . 1 . 1081 . A 22 ILE CB . 25064 2 129 . 1 1 22 22 ILE CG1 C 13 29.008 0.10 . 1 . 1548 . A 22 ILE CG1 . 25064 2 130 . 1 1 23 23 LEU H H 1 8.487 0.003 . 1 . 900 . A 23 LEU H . 25064 2 131 . 1 1 23 23 LEU HA H 1 4.119 0.007 . 1 . 1351 . A 23 LEU HA . 25064 2 132 . 1 1 23 23 LEU HB2 H 1 1.383 0.004 . 2 . 1352 . A 23 LEU HB2 . 25064 2 133 . 1 1 23 23 LEU HB3 H 1 1.810 0.008 . 2 . 1353 . A 23 LEU HB3 . 25064 2 134 . 1 1 23 23 LEU HG H 1 1.584 0.004 . 1 . 1465 . A 23 LEU HG . 25064 2 135 . 1 1 23 23 LEU HD11 H 1 0.269 0.006 . 2 . 1466 . A 23 LEU HD11 . 25064 2 136 . 1 1 23 23 LEU HD12 H 1 0.269 0.006 . 2 . 1466 . A 23 LEU HD12 . 25064 2 137 . 1 1 23 23 LEU HD13 H 1 0.269 0.006 . 2 . 1466 . A 23 LEU HD13 . 25064 2 138 . 1 1 23 23 LEU HD21 H 1 0.668 0.008 . 2 . 1467 . A 23 LEU HD21 . 25064 2 139 . 1 1 23 23 LEU HD22 H 1 0.668 0.008 . 2 . 1467 . A 23 LEU HD22 . 25064 2 140 . 1 1 23 23 LEU HD23 H 1 0.668 0.008 . 2 . 1467 . A 23 LEU HD23 . 25064 2 141 . 1 1 23 23 LEU CA C 13 55.255 0.10 . 1 . 1076 . A 23 LEU CA . 25064 2 142 . 1 1 23 23 LEU CB C 13 42.149 0.07 . 1 . 1080 . A 23 LEU CB . 25064 2 143 . 1 1 23 23 LEU CG C 13 27.114 0.031 . 1 . 1739 . A 23 LEU CG . 25064 2 144 . 1 1 23 23 LEU CD1 C 13 21.989 0.036 . 2 . 1549 . A 23 LEU CD1 . 25064 2 145 . 1 1 23 23 LEU CD2 C 13 26.203 0.031 . 2 . 1738 . A 23 LEU CD2 . 25064 2 146 . 1 1 24 24 GLY H H 1 7.853 0.01 . 1 . 872 . A 24 GLY H . 25064 2 147 . 1 1 24 24 GLY HA3 H 1 3.920 0.01 . 1 . 1418 . A 24 GLY HA3 . 25064 2 148 . 1 1 24 24 GLY CA C 13 46.727 0.10 . 1 . 1086 . A 24 GLY CA . 25064 2 149 . 1 1 25 25 VAL H H 1 7.367 0.01 . 1 . 880 . A 25 VAL H . 25064 2 150 . 1 1 25 25 VAL HA H 1 4.597 0.003 . 1 . 1449 . A 25 VAL HA . 25064 2 151 . 1 1 25 25 VAL HB H 1 2.149 0.001 . 1 . 1357 . A 25 VAL HB . 25064 2 152 . 1 1 25 25 VAL HG11 H 1 0.871 0.004 . 2 . 1451 . A 25 VAL HG11 . 25064 2 153 . 1 1 25 25 VAL HG12 H 1 0.871 0.004 . 2 . 1451 . A 25 VAL HG12 . 25064 2 154 . 1 1 25 25 VAL HG13 H 1 0.871 0.004 . 2 . 1451 . A 25 VAL HG13 . 25064 2 155 . 1 1 25 25 VAL HG21 H 1 0.707 0.01 . 2 . 1450 . A 25 VAL HG21 . 25064 2 156 . 1 1 25 25 VAL HG22 H 1 0.707 0.01 . 2 . 1450 . A 25 VAL HG22 . 25064 2 157 . 1 1 25 25 VAL HG23 H 1 0.707 0.01 . 2 . 1450 . A 25 VAL HG23 . 25064 2 158 . 1 1 25 25 VAL CB C 13 34.194 0.007 . 1 . 1085 . A 25 VAL CB . 25064 2 159 . 1 1 25 25 VAL CG1 C 13 21.456 0.025 . 1 . 1559 . A 25 VAL CG1 . 25064 2 160 . 1 1 26 26 GLU H H 1 8.426 0.01 . 1 . 1007 . A 26 GLU H . 25064 2 161 . 1 1 26 26 GLU HA H 1 4.011 0.004 . 1 . 1274 . A 26 GLU HA . 25064 2 162 . 1 1 26 26 GLU HB2 H 1 1.981 0.001 . 2 . 1276 . A 26 GLU HB2 . 25064 2 163 . 1 1 26 26 GLU HB3 H 1 1.982 0.002 . 2 . 1275 . A 26 GLU HB3 . 25064 2 164 . 1 1 26 26 GLU HG2 H 1 2.296 0.01 . 1 . 1518 . A 26 GLU HG2 . 25064 2 165 . 1 1 26 26 GLU CA C 13 58.797 0.10 . 1 . 1078 . A 26 GLU CA . 25064 2 166 . 1 1 26 26 GLU CB C 13 30.466 0.028 . 1 . 1083 . A 26 GLU CB . 25064 2 167 . 1 1 26 26 GLU CG C 13 36.255 0.10 . 1 . 1554 . A 26 GLU CG . 25064 2 168 . 1 1 27 27 ARG H H 1 7.733 0.01 . 1 . 884 . A 27 ARG H . 25064 2 169 . 1 1 27 27 ARG HB2 H 1 1.712 0.027 . 2 . 1317 . A 27 ARG HB2 . 25064 2 170 . 1 1 27 27 ARG HB3 H 1 1.661 0.004 . 2 . 1316 . A 27 ARG HB3 . 25064 2 171 . 1 1 27 27 ARG HG2 H 1 1.472 0.01 . 2 . 1469 . A 27 ARG HG2 . 25064 2 172 . 1 1 27 27 ARG HG3 H 1 1.444 0.016 . 2 . 1468 . A 27 ARG HG3 . 25064 2 173 . 1 1 27 27 ARG HD2 H 1 3.142 0.01 . 2 . 1741 . A 27 ARG HD2 . 25064 2 174 . 1 1 27 27 ARG HD3 H 1 3.123 0.005 . 2 . 1740 . A 27 ARG HD3 . 25064 2 175 . 1 1 27 27 ARG CB C 13 32.212 0.061 . 1 . 1084 . A 27 ARG CB . 25064 2 176 . 1 1 27 27 ARG CG C 13 26.464 0.032 . 1 . 1555 . A 27 ARG CG . 25064 2 177 . 1 1 27 27 ARG CD C 13 43.015 0.10 . 1 . 1552 . A 27 ARG CD . 25064 2 178 . 1 1 28 28 VAL H H 1 8.345 0.01 . 1 . 979 . A 28 VAL H . 25064 2 179 . 1 1 28 28 VAL HA H 1 4.087 0.01 . 1 . 1253 . A 28 VAL HA . 25064 2 180 . 1 1 28 28 VAL HB H 1 2.022 0.003 . 1 . 1254 . A 28 VAL HB . 25064 2 181 . 1 1 28 28 VAL HG11 H 1 1.040 0.002 . 2 . 1479 . A 28 VAL HG11 . 25064 2 182 . 1 1 28 28 VAL HG12 H 1 1.040 0.002 . 2 . 1479 . A 28 VAL HG12 . 25064 2 183 . 1 1 28 28 VAL HG13 H 1 1.040 0.002 . 2 . 1479 . A 28 VAL HG13 . 25064 2 184 . 1 1 28 28 VAL HG21 H 1 0.826 0.003 . 2 . 1480 . A 28 VAL HG21 . 25064 2 185 . 1 1 28 28 VAL HG22 H 1 0.826 0.003 . 2 . 1480 . A 28 VAL HG22 . 25064 2 186 . 1 1 28 28 VAL HG23 H 1 0.826 0.003 . 2 . 1480 . A 28 VAL HG23 . 25064 2 187 . 1 1 28 28 VAL CA C 13 61.640 0.10 . 1 . 1103 . A 28 VAL CA . 25064 2 188 . 1 1 28 28 VAL CB C 13 34.777 0.028 . 1 . 1110 . A 28 VAL CB . 25064 2 189 . 1 1 28 28 VAL CG1 C 13 21.821 0.035 . 2 . 1742 . A 28 VAL CG1 . 25064 2 190 . 1 1 28 28 VAL CG2 C 13 21.847 0.10 . 2 . 1561 . A 28 VAL CG2 . 25064 2 191 . 1 1 29 29 GLY H H 1 9.183 0.01 . 1 . 1017 . A 29 GLY H . 25064 2 192 . 1 1 30 30 VAL H H 1 8.144 0.001 . 1 . 876 . A 30 VAL H . 25064 2 193 . 1 1 30 30 VAL HA H 1 3.577 0.002 . 1 . 1358 . A 30 VAL HA . 25064 2 194 . 1 1 30 30 VAL HB H 1 2.019 0.007 . 1 . 1359 . A 30 VAL HB . 25064 2 195 . 1 1 30 30 VAL HG11 H 1 0.829 0.0 . 2 . 1445 . A 30 VAL HG11 . 25064 2 196 . 1 1 30 30 VAL HG12 H 1 0.829 0.0 . 2 . 1445 . A 30 VAL HG12 . 25064 2 197 . 1 1 30 30 VAL HG13 H 1 0.829 0.0 . 2 . 1445 . A 30 VAL HG13 . 25064 2 198 . 1 1 30 30 VAL HG21 H 1 0.821 0.01 . 2 . 1446 . A 30 VAL HG21 . 25064 2 199 . 1 1 30 30 VAL HG22 H 1 0.821 0.01 . 2 . 1446 . A 30 VAL HG22 . 25064 2 200 . 1 1 30 30 VAL HG23 H 1 0.821 0.01 . 2 . 1446 . A 30 VAL HG23 . 25064 2 201 . 1 1 30 30 VAL CB C 13 31.591 0.098 . 1 . 1111 . A 30 VAL CB . 25064 2 202 . 1 1 30 30 VAL CG1 C 13 21.933 0.018 . 1 . 1866 . A 30 VAL CG1 . 25064 2 203 . 1 1 31 31 ASP H H 1 8.145 0.002 . 1 . 892 . A 31 ASP H . 25064 2 204 . 1 1 31 31 ASP HA H 1 5.049 0.01 . 1 . 1323 . A 31 ASP HA . 25064 2 205 . 1 1 31 31 ASP HB2 H 1 2.951 0.005 . 2 . 1324 . A 31 ASP HB2 . 25064 2 206 . 1 1 31 31 ASP HB3 H 1 2.474 0.007 . 2 . 1325 . A 31 ASP HB3 . 25064 2 207 . 1 1 31 31 ASP CB C 13 41.192 0.054 . 1 . 1107 . A 31 ASP CB . 25064 2 208 . 1 1 32 32 ASP H H 1 7.281 0.01 . 1 . 971 . A 32 ASP H . 25064 2 209 . 1 1 32 32 ASP HB2 H 1 2.423 0.01 . 2 . 1339 . A 32 ASP HB2 . 25064 2 210 . 1 1 32 32 ASP HB3 H 1 2.950 0.01 . 2 . 1435 . A 32 ASP HB3 . 25064 2 211 . 1 1 32 32 ASP CB C 13 41.578 0.10 . 1 . 1108 . A 32 ASP CB . 25064 2 212 . 1 1 33 33 ALA HA H 1 4.097 0.01 . 1 . 1300 . A 33 ALA HA . 25064 2 213 . 1 1 33 33 ALA HB1 H 1 1.328 0.01 . 1 . 1301 . A 33 ALA HB1 . 25064 2 214 . 1 1 33 33 ALA HB2 H 1 1.328 0.01 . 1 . 1301 . A 33 ALA HB2 . 25064 2 215 . 1 1 33 33 ALA HB3 H 1 1.328 0.01 . 1 . 1301 . A 33 ALA HB3 . 25064 2 216 . 1 1 33 33 ALA CA C 13 51.310 0.10 . 1 . 1100 . A 33 ALA CA . 25064 2 217 . 1 1 34 34 PHE H H 1 8.388 0.01 . 1 . 948 . A 34 PHE H . 25064 2 218 . 1 1 34 34 PHE HA H 1 3.983 0.01 . 1 . 1263 . A 34 PHE HA . 25064 2 219 . 1 1 34 34 PHE HB2 H 1 3.254 0.0 . 2 . 1264 . A 34 PHE HB2 . 25064 2 220 . 1 1 34 34 PHE HB3 H 1 2.849 0.001 . 2 . 1265 . A 34 PHE HB3 . 25064 2 221 . 1 1 34 34 PHE CB C 13 40.037 0.042 . 1 . 1847 . A 34 PHE CB . 25064 2 222 . 1 1 35 35 HIS HA H 1 4.299 0.006 . 1 . 1831 . A 35 HIS HA . 25064 2 223 . 1 1 35 35 HIS HB2 H 1 3.142 0.003 . 1 . 1818 . A 35 HIS HB2 . 25064 2 224 . 1 1 35 35 HIS HB3 H 1 3.142 0.003 . 1 . 1830 . A 35 HIS HB3 . 25064 2 225 . 1 1 35 35 HIS CA C 13 58.645 0.10 . 1 . 1851 . A 35 HIS CA . 25064 2 226 . 1 1 35 35 HIS CB C 13 29.617 0.10 . 1 . 1852 . A 35 HIS CB . 25064 2 227 . 1 1 37 37 LEU H H 1 7.107 0.01 . 1 . 1001 . A 37 LEU H . 25064 2 228 . 1 1 37 37 LEU HA H 1 4.349 0.01 . 1 . 1294 . A 37 LEU HA . 25064 2 229 . 1 1 37 37 LEU HB2 H 1 1.766 0.001 . 2 . 1296 . A 37 LEU HB2 . 25064 2 230 . 1 1 37 37 LEU HB3 H 1 1.566 0.005 . 2 . 1295 . A 37 LEU HB3 . 25064 2 231 . 1 1 37 37 LEU HG H 1 1.703 0.01 . 1 . 1474 . A 37 LEU HG . 25064 2 232 . 1 1 37 37 LEU HD11 H 1 0.923 0.01 . 1 . 1744 . A 37 LEU HD11 . 25064 2 233 . 1 1 37 37 LEU HD12 H 1 0.923 0.01 . 1 . 1744 . A 37 LEU HD12 . 25064 2 234 . 1 1 37 37 LEU HD13 H 1 0.923 0.01 . 1 . 1744 . A 37 LEU HD13 . 25064 2 235 . 1 1 37 37 LEU HD21 H 1 0.923 0.01 . 1 . 1475 . A 37 LEU HD21 . 25064 2 236 . 1 1 37 37 LEU HD22 H 1 0.923 0.01 . 1 . 1475 . A 37 LEU HD22 . 25064 2 237 . 1 1 37 37 LEU HD23 H 1 0.923 0.01 . 1 . 1475 . A 37 LEU HD23 . 25064 2 238 . 1 1 37 37 LEU CA C 13 54.326 0.10 . 1 . 1101 . A 37 LEU CA . 25064 2 239 . 1 1 37 37 LEU CB C 13 43.336 0.092 . 1 . 1115 . A 37 LEU CB . 25064 2 240 . 1 1 37 37 LEU CD2 C 13 26.700 0.10 . 1 . 1743 . A 37 LEU CD2 . 25064 2 241 . 1 1 39 39 GLY HA2 H 1 2.255 0.01 . 2 . 1569 . A 39 GLY HA2 . 25064 2 242 . 1 1 39 39 GLY HA3 H 1 3.093 0.01 . 2 . 1519 . A 39 GLY HA3 . 25064 2 243 . 1 1 39 39 GLY CA C 13 46.444 0.10 . 1 . 1117 . A 39 GLY CA . 25064 2 244 . 1 1 40 40 SER H H 1 6.909 0.01 . 1 . 1012 . A 40 SER H . 25064 2 245 . 1 1 41 41 SER HA H 1 4.797 0.01 . 1 . 1870 . A 41 SER HA . 25064 2 246 . 1 1 41 41 SER HB2 H 1 4.319 0.01 . 2 . 1869 . A 41 SER HB2 . 25064 2 247 . 1 1 41 41 SER HB3 H 1 4.015 0.001 . 2 . 1868 . A 41 SER HB3 . 25064 2 248 . 1 1 41 41 SER CB C 13 62.279 0.002 . 1 . 1867 . A 41 SER CB . 25064 2 249 . 1 1 43 43 LEU H H 1 7.797 0.002 . 1 . 922 . A 43 LEU H . 25064 2 250 . 1 1 43 43 LEU HA H 1 4.144 0.002 . 1 . 1348 . A 43 LEU HA . 25064 2 251 . 1 1 43 43 LEU HB2 H 1 1.490 0.004 . 2 . 1350 . A 43 LEU HB2 . 25064 2 252 . 1 1 43 43 LEU HB3 H 1 1.823 0.014 . 2 . 1349 . A 43 LEU HB3 . 25064 2 253 . 1 1 43 43 LEU HG H 1 1.753 0.01 . 1 . 1834 . A 43 LEU HG . 25064 2 254 . 1 1 43 43 LEU HD11 H 1 0.957 0.004 . 2 . 1749 . A 43 LEU HD11 . 25064 2 255 . 1 1 43 43 LEU HD12 H 1 0.957 0.004 . 2 . 1749 . A 43 LEU HD12 . 25064 2 256 . 1 1 43 43 LEU HD13 H 1 0.957 0.004 . 2 . 1749 . A 43 LEU HD13 . 25064 2 257 . 1 1 43 43 LEU HD21 H 1 0.920 0.011 . 2 . 1750 . A 43 LEU HD21 . 25064 2 258 . 1 1 43 43 LEU HD22 H 1 0.920 0.011 . 2 . 1750 . A 43 LEU HD22 . 25064 2 259 . 1 1 43 43 LEU HD23 H 1 0.920 0.011 . 2 . 1750 . A 43 LEU HD23 . 25064 2 260 . 1 1 43 43 LEU CA C 13 57.248 0.001 . 1 . 1120 . A 43 LEU CA . 25064 2 261 . 1 1 43 43 LEU CB C 13 41.600 0.059 . 1 . 1118 . A 43 LEU CB . 25064 2 262 . 1 1 43 43 LEU CG C 13 27.205 0.011 . 1 . 1563 . A 43 LEU CG . 25064 2 263 . 1 1 43 43 LEU CD1 C 13 25.651 0.054 . 1 . 1564 . A 43 LEU CD1 . 25064 2 264 . 1 1 44 44 ALA HB1 H 1 1.430 0.01 . 1 . 1262 . A 44 ALA HB1 . 25064 2 265 . 1 1 44 44 ALA HB2 H 1 1.430 0.01 . 1 . 1262 . A 44 ALA HB2 . 25064 2 266 . 1 1 44 44 ALA HB3 H 1 1.430 0.01 . 1 . 1262 . A 44 ALA HB3 . 25064 2 267 . 1 1 45 45 MET H H 1 7.740 0.002 . 1 . 888 . A 45 MET H . 25064 2 268 . 1 1 45 45 MET HA H 1 4.178 0.004 . 1 . 1367 . A 45 MET HA . 25064 2 269 . 1 1 45 45 MET HB2 H 1 2.120 0.008 . 2 . 1436 . A 45 MET HB2 . 25064 2 270 . 1 1 45 45 MET HB3 H 1 2.224 0.01 . 2 . 1369 . A 45 MET HB3 . 25064 2 271 . 1 1 45 45 MET HG2 H 1 2.783 0.017 . 2 . 1368 . A 45 MET HG2 . 25064 2 272 . 1 1 45 45 MET HG3 H 1 2.697 0.012 . 2 . 1472 . A 45 MET HG3 . 25064 2 273 . 1 1 45 45 MET HE1 H 1 2.110 0.001 . 1 . 1752 . A 45 MET HE1 . 25064 2 274 . 1 1 45 45 MET HE2 H 1 2.110 0.001 . 1 . 1752 . A 45 MET HE2 . 25064 2 275 . 1 1 45 45 MET HE3 H 1 2.110 0.001 . 1 . 1752 . A 45 MET HE3 . 25064 2 276 . 1 1 45 45 MET CB C 13 31.315 0.045 . 1 . 1139 . A 45 MET CB . 25064 2 277 . 1 1 45 45 MET CG C 13 31.927 0.012 . 1 . 1570 . A 45 MET CG . 25064 2 278 . 1 1 46 46 ARG H H 1 7.289 0.008 . 1 . 1005 . A 46 ARG H . 25064 2 279 . 1 1 46 46 ARG HA H 1 4.170 0.005 . 1 . 1819 . A 46 ARG HA . 25064 2 280 . 1 1 46 46 ARG HB2 H 1 2.030 0.009 . 2 . 1391 . A 46 ARG HB2 . 25064 2 281 . 1 1 46 46 ARG HB3 H 1 2.032 0.008 . 2 . 1392 . A 46 ARG HB3 . 25064 2 282 . 1 1 46 46 ARG HG2 H 1 1.728 0.003 . 2 . 1756 . A 46 ARG HG2 . 25064 2 283 . 1 1 46 46 ARG HG3 H 1 1.854 0.002 . 2 . 1478 . A 46 ARG HG3 . 25064 2 284 . 1 1 46 46 ARG HD2 H 1 3.278 0.004 . 2 . 1754 . A 46 ARG HD2 . 25064 2 285 . 1 1 46 46 ARG HD3 H 1 3.187 0.014 . 2 . 1755 . A 46 ARG HD3 . 25064 2 286 . 1 1 46 46 ARG CA C 13 58.700 0.10 . 1 . 1131 . A 46 ARG CA . 25064 2 287 . 1 1 46 46 ARG CB C 13 29.842 0.04 . 1 . 1140 . A 46 ARG CB . 25064 2 288 . 1 1 46 46 ARG CG C 13 27.132 0.06 . 1 . 1583 . A 46 ARG CG . 25064 2 289 . 1 1 46 46 ARG CD C 13 43.482 0.068 . 1 . 1571 . A 46 ARG CD . 25064 2 290 . 1 1 47 47 LEU H H 1 8.237 0.003 . 1 . 961 . A 47 LEU H . 25064 2 291 . 1 1 47 47 LEU HA H 1 3.892 0.003 . 1 . 1398 . A 47 LEU HA . 25064 2 292 . 1 1 47 47 LEU HB2 H 1 1.904 0.005 . 2 . 1399 . A 47 LEU HB2 . 25064 2 293 . 1 1 47 47 LEU HB3 H 1 1.232 0.015 . 2 . 1400 . A 47 LEU HB3 . 25064 2 294 . 1 1 47 47 LEU HG H 1 1.299 0.01 . 1 . 1692 . A 47 LEU HG . 25064 2 295 . 1 1 47 47 LEU HD11 H 1 0.174 0.003 . 2 . 1484 . A 47 LEU HD11 . 25064 2 296 . 1 1 47 47 LEU HD12 H 1 0.174 0.003 . 2 . 1484 . A 47 LEU HD12 . 25064 2 297 . 1 1 47 47 LEU HD13 H 1 0.174 0.003 . 2 . 1484 . A 47 LEU HD13 . 25064 2 298 . 1 1 47 47 LEU HD21 H 1 0.746 0.007 . 2 . 1693 . A 47 LEU HD21 . 25064 2 299 . 1 1 47 47 LEU HD22 H 1 0.746 0.007 . 2 . 1693 . A 47 LEU HD22 . 25064 2 300 . 1 1 47 47 LEU HD23 H 1 0.746 0.007 . 2 . 1693 . A 47 LEU HD23 . 25064 2 301 . 1 1 47 47 LEU CA C 13 58.206 0.045 . 1 . 1132 . A 47 LEU CA . 25064 2 302 . 1 1 47 47 LEU CB C 13 41.201 0.058 . 1 . 1137 . A 47 LEU CB . 25064 2 303 . 1 1 47 47 LEU CG C 13 26.769 0.10 . 1 . 1757 . A 47 LEU CG . 25064 2 304 . 1 1 47 47 LEU CD1 C 13 26.533 0.038 . 2 . 1575 . A 47 LEU CD1 . 25064 2 305 . 1 1 47 47 LEU CD2 C 13 23.433 0.007 . 2 . 1576 . A 47 LEU CD2 . 25064 2 306 . 1 1 48 48 ILE H H 1 8.476 0.01 . 1 . 934 . A 48 ILE H . 25064 2 307 . 1 1 48 48 ILE HA H 1 3.552 0.004 . 1 . 1407 . A 48 ILE HA . 25064 2 308 . 1 1 48 48 ILE HB H 1 1.986 0.005 . 1 . 1408 . A 48 ILE HB . 25064 2 309 . 1 1 48 48 ILE HG12 H 1 1.289 0.011 . 2 . 1508 . A 48 ILE HG12 . 25064 2 310 . 1 1 48 48 ILE HG13 H 1 1.498 0.006 . 2 . 1758 . A 48 ILE HG13 . 25064 2 311 . 1 1 48 48 ILE HG21 H 1 1.017 0.004 . 1 . 1507 . A 48 ILE HG21 . 25064 2 312 . 1 1 48 48 ILE HG22 H 1 1.017 0.004 . 1 . 1507 . A 48 ILE HG22 . 25064 2 313 . 1 1 48 48 ILE HG23 H 1 1.017 0.004 . 1 . 1507 . A 48 ILE HG23 . 25064 2 314 . 1 1 48 48 ILE HD11 H 1 0.713 0.01 . 1 . 1506 . A 48 ILE HD11 . 25064 2 315 . 1 1 48 48 ILE HD12 H 1 0.713 0.01 . 1 . 1506 . A 48 ILE HD12 . 25064 2 316 . 1 1 48 48 ILE HD13 H 1 0.713 0.01 . 1 . 1506 . A 48 ILE HD13 . 25064 2 317 . 1 1 48 48 ILE CA C 13 65.123 0.068 . 1 . 1133 . A 48 ILE CA . 25064 2 318 . 1 1 48 48 ILE CB C 13 37.697 0.072 . 1 . 1138 . A 48 ILE CB . 25064 2 319 . 1 1 48 48 ILE CG1 C 13 29.708 0.055 . 1 . 1574 . A 48 ILE CG1 . 25064 2 320 . 1 1 49 49 ALA HA H 1 4.200 0.01 . 1 . 1335 . A 49 ALA HA . 25064 2 321 . 1 1 49 49 ALA HB1 H 1 1.566 0.01 . 1 . 1336 . A 49 ALA HB1 . 25064 2 322 . 1 1 49 49 ALA HB2 H 1 1.566 0.01 . 1 . 1336 . A 49 ALA HB2 . 25064 2 323 . 1 1 49 49 ALA HB3 H 1 1.566 0.01 . 1 . 1336 . A 49 ALA HB3 . 25064 2 324 . 1 1 49 49 ALA CA C 13 55.319 0.10 . 1 . 1135 . A 49 ALA CA . 25064 2 325 . 1 1 50 50 ARG HA H 1 4.261 0.002 . 1 . 1414 . A 50 ARG HA . 25064 2 326 . 1 1 50 50 ARG HB2 H 1 2.029 0.01 . 2 . 1493 . A 50 ARG HB2 . 25064 2 327 . 1 1 50 50 ARG HB3 H 1 1.899 0.01 . 2 . 1492 . A 50 ARG HB3 . 25064 2 328 . 1 1 50 50 ARG HD2 H 1 3.454 0.001 . 2 . 1710 . A 50 ARG HD2 . 25064 2 329 . 1 1 50 50 ARG HD3 H 1 3.126 0.012 . 2 . 1711 . A 50 ARG HD3 . 25064 2 330 . 1 1 50 50 ARG CB C 13 28.438 0.10 . 1 . 1141 . A 50 ARG CB . 25064 2 331 . 1 1 50 50 ARG CD C 13 39.755 0.048 . 1 . 1675 . A 50 ARG CD . 25064 2 332 . 1 1 51 51 ILE H H 1 8.841 0.003 . 1 . 950 . A 51 ILE H . 25064 2 333 . 1 1 51 51 ILE HA H 1 3.368 0.003 . 1 . 1383 . A 51 ILE HA . 25064 2 334 . 1 1 51 51 ILE HB H 1 2.005 0.003 . 1 . 1382 . A 51 ILE HB . 25064 2 335 . 1 1 51 51 ILE HG12 H 1 0.657 0.012 . 2 . 1505 . A 51 ILE HG12 . 25064 2 336 . 1 1 51 51 ILE HG13 H 1 1.928 0.006 . 2 . 1504 . A 51 ILE HG13 . 25064 2 337 . 1 1 51 51 ILE HG21 H 1 0.839 0.005 . 1 . 1503 . A 51 ILE HG21 . 25064 2 338 . 1 1 51 51 ILE HG22 H 1 0.839 0.005 . 1 . 1503 . A 51 ILE HG22 . 25064 2 339 . 1 1 51 51 ILE HG23 H 1 0.839 0.005 . 1 . 1503 . A 51 ILE HG23 . 25064 2 340 . 1 1 51 51 ILE HD11 H 1 0.651 0.01 . 1 . 1502 . A 51 ILE HD11 . 25064 2 341 . 1 1 51 51 ILE HD12 H 1 0.651 0.01 . 1 . 1502 . A 51 ILE HD12 . 25064 2 342 . 1 1 51 51 ILE HD13 H 1 0.651 0.01 . 1 . 1502 . A 51 ILE HD13 . 25064 2 343 . 1 1 51 51 ILE CA C 13 66.396 0.039 . 1 . 1151 . A 51 ILE CA . 25064 2 344 . 1 1 51 51 ILE CB C 13 37.819 0.05 . 1 . 1162 . A 51 ILE CB . 25064 2 345 . 1 1 51 51 ILE CG1 C 13 30.406 0.047 . 1 . 1577 . A 51 ILE CG1 . 25064 2 346 . 1 1 52 52 ARG H H 1 7.837 0.007 . 1 . 942 . A 52 ARG H . 25064 2 347 . 1 1 52 52 ARG HA H 1 4.058 0.008 . 1 . 1360 . A 52 ARG HA . 25064 2 348 . 1 1 52 52 ARG HB2 H 1 1.930 0.014 . 2 . 1437 . A 52 ARG HB2 . 25064 2 349 . 1 1 52 52 ARG HB3 H 1 2.010 0.004 . 2 . 1361 . A 52 ARG HB3 . 25064 2 350 . 1 1 52 52 ARG HG2 H 1 1.520 0.01 . 2 . 1482 . A 52 ARG HG2 . 25064 2 351 . 1 1 52 52 ARG HG3 H 1 1.481 0.01 . 2 . 1483 . A 52 ARG HG3 . 25064 2 352 . 1 1 52 52 ARG HD2 H 1 3.063 0.002 . 1 . 1481 . A 52 ARG HD2 . 25064 2 353 . 1 1 52 52 ARG CA C 13 59.511 0.015 . 1 . 1152 . A 52 ARG CA . 25064 2 354 . 1 1 52 52 ARG CB C 13 29.554 0.077 . 1 . 1163 . A 52 ARG CB . 25064 2 355 . 1 1 52 52 ARG CG C 13 27.173 0.054 . 1 . 1573 . A 52 ARG CG . 25064 2 356 . 1 1 52 52 ARG CD C 13 42.952 0.065 . 1 . 1572 . A 52 ARG CD . 25064 2 357 . 1 1 53 53 GLU H H 1 7.860 0.007 . 1 . 918 . A 53 GLU H . 25064 2 358 . 1 1 53 53 GLU HA H 1 3.969 0.004 . 1 . 1393 . A 53 GLU HA . 25064 2 359 . 1 1 53 53 GLU HB2 H 1 2.263 0.002 . 2 . 1395 . A 53 GLU HB2 . 25064 2 360 . 1 1 53 53 GLU HB3 H 1 2.072 0.004 . 2 . 1394 . A 53 GLU HB3 . 25064 2 361 . 1 1 53 53 GLU HG2 H 1 2.270 0.007 . 2 . 1485 . A 53 GLU HG2 . 25064 2 362 . 1 1 53 53 GLU HG3 H 1 2.509 0.006 . 2 . 1712 . A 53 GLU HG3 . 25064 2 363 . 1 1 53 53 GLU CA C 13 59.098 0.09 . 1 . 1153 . A 53 GLU CA . 25064 2 364 . 1 1 53 53 GLU CB C 13 30.212 0.065 . 1 . 1164 . A 53 GLU CB . 25064 2 365 . 1 1 53 53 GLU CG C 13 36.028 0.088 . 1 . 1584 . A 53 GLU CG . 25064 2 366 . 1 1 54 54 GLU H H 1 8.525 0.004 . 1 . 896 . A 54 GLU H . 25064 2 367 . 1 1 54 54 GLU HA H 1 4.353 0.0 . 1 . 1307 . A 54 GLU HA . 25064 2 368 . 1 1 54 54 GLU HB2 H 1 2.149 0.004 . 2 . 1309 . A 54 GLU HB2 . 25064 2 369 . 1 1 54 54 GLU HB3 H 1 1.782 0.007 . 2 . 1308 . A 54 GLU HB3 . 25064 2 370 . 1 1 54 54 GLU HG2 H 1 2.545 0.009 . 2 . 1490 . A 54 GLU HG2 . 25064 2 371 . 1 1 54 54 GLU HG3 H 1 2.308 0.006 . 2 . 1491 . A 54 GLU HG3 . 25064 2 372 . 1 1 54 54 GLU CB C 13 30.658 0.046 . 1 . 1165 . A 54 GLU CB . 25064 2 373 . 1 1 54 54 GLU CG C 13 35.453 0.054 . 1 . 1585 . A 54 GLU CG . 25064 2 374 . 1 1 55 55 LEU H H 1 8.623 0.002 . 1 . 898 . A 55 LEU H . 25064 2 375 . 1 1 55 55 LEU HA H 1 4.679 0.001 . 1 . 1332 . A 55 LEU HA . 25064 2 376 . 1 1 55 55 LEU HB2 H 1 1.602 0.013 . 2 . 1333 . A 55 LEU HB2 . 25064 2 377 . 1 1 55 55 LEU HB3 H 1 1.935 0.002 . 2 . 1334 . A 55 LEU HB3 . 25064 2 378 . 1 1 55 55 LEU HG H 1 1.505 0.007 . 1 . 1704 . A 55 LEU HG . 25064 2 379 . 1 1 55 55 LEU HD11 H 1 0.930 0.013 . 2 . 1702 . A 55 LEU HD11 . 25064 2 380 . 1 1 55 55 LEU HD12 H 1 0.930 0.013 . 2 . 1702 . A 55 LEU HD12 . 25064 2 381 . 1 1 55 55 LEU HD13 H 1 0.930 0.013 . 2 . 1702 . A 55 LEU HD13 . 25064 2 382 . 1 1 55 55 LEU HD21 H 1 0.827 0.004 . 2 . 1703 . A 55 LEU HD21 . 25064 2 383 . 1 1 55 55 LEU HD22 H 1 0.827 0.004 . 2 . 1703 . A 55 LEU HD22 . 25064 2 384 . 1 1 55 55 LEU HD23 H 1 0.827 0.004 . 2 . 1703 . A 55 LEU HD23 . 25064 2 385 . 1 1 55 55 LEU CB C 13 43.309 0.048 . 1 . 1158 . A 55 LEU CB . 25064 2 386 . 1 1 55 55 LEU CG C 13 27.538 0.002 . 1 . 1586 . A 55 LEU CG . 25064 2 387 . 1 1 55 55 LEU CD1 C 13 23.288 0.015 . 2 . 1588 . A 55 LEU CD1 . 25064 2 388 . 1 1 55 55 LEU CD2 C 13 25.850 0.083 . 2 . 1587 . A 55 LEU CD2 . 25064 2 389 . 1 1 56 56 GLY H H 1 7.709 0.01 . 1 . 871 . A 56 GLY H . 25064 2 390 . 1 1 56 56 GLY HA2 H 1 3.959 0.01 . 2 . 1698 . A 56 GLY HA2 . 25064 2 391 . 1 1 56 56 GLY HA3 H 1 3.953 0.01 . 2 . 1280 . A 56 GLY HA3 . 25064 2 392 . 1 1 56 56 GLY CA C 13 46.520 0.10 . 1 . 1161 . A 56 GLY CA . 25064 2 393 . 1 1 57 57 VAL H H 1 6.536 0.002 . 1 . 1013 . A 57 VAL H . 25064 2 394 . 1 1 57 57 VAL HA H 1 4.407 0.001 . 1 . 1328 . A 57 VAL HA . 25064 2 395 . 1 1 57 57 VAL HB H 1 1.678 0.006 . 1 . 1329 . A 57 VAL HB . 25064 2 396 . 1 1 57 57 VAL HG11 H 1 0.770 0.01 . 1 . 1462 . A 57 VAL HG11 . 25064 2 397 . 1 1 57 57 VAL HG12 H 1 0.770 0.01 . 1 . 1462 . A 57 VAL HG12 . 25064 2 398 . 1 1 57 57 VAL HG13 H 1 0.770 0.01 . 1 . 1462 . A 57 VAL HG13 . 25064 2 399 . 1 1 57 57 VAL HG21 H 1 0.770 0.01 . 1 . 1705 . A 57 VAL HG21 . 25064 2 400 . 1 1 57 57 VAL HG22 H 1 0.770 0.01 . 1 . 1705 . A 57 VAL HG22 . 25064 2 401 . 1 1 57 57 VAL HG23 H 1 0.770 0.01 . 1 . 1705 . A 57 VAL HG23 . 25064 2 402 . 1 1 57 57 VAL CB C 13 35.391 0.043 . 1 . 1166 . A 57 VAL CB . 25064 2 403 . 1 1 57 57 VAL CG1 C 13 21.338 0.038 . 1 . 1528 . A 57 VAL CG1 . 25064 2 404 . 1 1 58 58 ASP H H 1 8.564 0.002 . 1 . 983 . A 58 ASP H . 25064 2 405 . 1 1 58 58 ASP HA H 1 4.671 0.006 . 1 . 1277 . A 58 ASP HA . 25064 2 406 . 1 1 58 58 ASP HB2 H 1 2.405 0.003 . 2 . 1279 . A 58 ASP HB2 . 25064 2 407 . 1 1 58 58 ASP HB3 H 1 2.553 0.001 . 2 . 1278 . A 58 ASP HB3 . 25064 2 408 . 1 1 58 58 ASP CB C 13 41.754 0.054 . 1 . 1159 . A 58 ASP CB . 25064 2 409 . 1 1 59 59 LEU H H 1 8.411 0.001 . 1 . 997 . A 59 LEU H . 25064 2 410 . 1 1 59 59 LEU HA H 1 4.518 0.01 . 1 . 1455 . A 59 LEU HA . 25064 2 411 . 1 1 59 59 LEU HB2 H 1 1.071 0.005 . 2 . 1459 . A 59 LEU HB2 . 25064 2 412 . 1 1 59 59 LEU HB3 H 1 1.731 0.004 . 2 . 1458 . A 59 LEU HB3 . 25064 2 413 . 1 1 59 59 LEU HG H 1 1.402 0.004 . 1 . 1707 . A 59 LEU HG . 25064 2 414 . 1 1 59 59 LEU HD11 H 1 0.657 0.014 . 1 . 1456 . A 59 LEU HD11 . 25064 2 415 . 1 1 59 59 LEU HD12 H 1 0.657 0.014 . 1 . 1456 . A 59 LEU HD12 . 25064 2 416 . 1 1 59 59 LEU HD13 H 1 0.657 0.014 . 1 . 1456 . A 59 LEU HD13 . 25064 2 417 . 1 1 59 59 LEU HD21 H 1 0.657 0.014 . 1 . 1457 . A 59 LEU HD21 . 25064 2 418 . 1 1 59 59 LEU HD22 H 1 0.657 0.014 . 1 . 1457 . A 59 LEU HD22 . 25064 2 419 . 1 1 59 59 LEU HD23 H 1 0.657 0.014 . 1 . 1457 . A 59 LEU HD23 . 25064 2 420 . 1 1 59 59 LEU CB C 13 44.218 0.043 . 1 . 1160 . A 59 LEU CB . 25064 2 421 . 1 1 59 59 LEU CG C 13 26.149 0.10 . 1 . 1706 . A 59 LEU CG . 25064 2 422 . 1 1 59 59 LEU CD2 C 13 24.571 0.044 . 1 . 1708 . A 59 LEU CD2 . 25064 2 423 . 1 1 60 60 PRO HA H 1 4.413 0.01 . 1 . 1427 . A 60 PRO HA . 25064 2 424 . 1 1 60 60 PRO HB2 H 1 2.406 0.001 . 2 . 1428 . A 60 PRO HB2 . 25064 2 425 . 1 1 60 60 PRO HB3 H 1 1.762 0.003 . 2 . 1429 . A 60 PRO HB3 . 25064 2 426 . 1 1 60 60 PRO HD2 H 1 3.306 0.01 . 2 . 1714 . A 60 PRO HD2 . 25064 2 427 . 1 1 60 60 PRO HD3 H 1 3.846 0.01 . 2 . 1713 . A 60 PRO HD3 . 25064 2 428 . 1 1 60 60 PRO CB C 13 32.351 0.016 . 1 . 1185 . A 60 PRO CB . 25064 2 429 . 1 1 60 60 PRO CD C 13 50.575 0.10 . 1 . 1595 . A 60 PRO CD . 25064 2 430 . 1 1 61 61 ILE H H 1 8.691 0.001 . 1 . 993 . A 61 ILE H . 25064 2 431 . 1 1 61 61 ILE HA H 1 3.604 0.005 . 1 . 1440 . A 61 ILE HA . 25064 2 432 . 1 1 61 61 ILE HB H 1 1.719 0.004 . 1 . 1426 . A 61 ILE HB . 25064 2 433 . 1 1 61 61 ILE HG12 H 1 0.996 0.011 . 2 . 1759 . A 61 ILE HG12 . 25064 2 434 . 1 1 61 61 ILE HG13 H 1 1.207 0.003 . 2 . 1715 . A 61 ILE HG13 . 25064 2 435 . 1 1 61 61 ILE HG21 H 1 0.837 0.008 . 1 . 1471 . A 61 ILE HG21 . 25064 2 436 . 1 1 61 61 ILE HG22 H 1 0.837 0.008 . 1 . 1471 . A 61 ILE HG22 . 25064 2 437 . 1 1 61 61 ILE HG23 H 1 0.837 0.008 . 1 . 1471 . A 61 ILE HG23 . 25064 2 438 . 1 1 61 61 ILE HD11 H 1 0.832 0.0 . 1 . 1470 . A 61 ILE HD11 . 25064 2 439 . 1 1 61 61 ILE HD12 H 1 0.832 0.0 . 1 . 1470 . A 61 ILE HD12 . 25064 2 440 . 1 1 61 61 ILE HD13 H 1 0.832 0.0 . 1 . 1470 . A 61 ILE HD13 . 25064 2 441 . 1 1 61 61 ILE CA C 13 64.898 0.10 . 1 . 1174 . A 61 ILE CA . 25064 2 442 . 1 1 61 61 ILE CB C 13 37.550 0.055 . 1 . 1182 . A 61 ILE CB . 25064 2 443 . 1 1 61 61 ILE CG1 C 13 29.207 0.037 . 1 . 1589 . A 61 ILE CG1 . 25064 2 444 . 1 1 62 62 ARG H H 1 8.322 0.003 . 1 . 932 . A 62 ARG H . 25064 2 445 . 1 1 62 62 ARG HA H 1 4.054 0.004 . 1 . 1438 . A 62 ARG HA . 25064 2 446 . 1 1 62 62 ARG HB2 H 1 1.605 0.01 . 2 . 1439 . A 62 ARG HB2 . 25064 2 447 . 1 1 62 62 ARG HB3 H 1 1.763 0.03 . 2 . 1342 . A 62 ARG HB3 . 25064 2 448 . 1 1 62 62 ARG HG2 H 1 1.627 0.003 . 1 . 1761 . A 62 ARG HG2 . 25064 2 449 . 1 1 62 62 ARG HG3 H 1 1.627 0.003 . 1 . 1760 . A 62 ARG HG3 . 25064 2 450 . 1 1 62 62 ARG HD2 H 1 3.156 0.005 . 2 . 1717 . A 62 ARG HD2 . 25064 2 451 . 1 1 62 62 ARG HD3 H 1 3.156 0.005 . 2 . 1718 . A 62 ARG HD3 . 25064 2 452 . 1 1 62 62 ARG CA C 13 58.503 0.015 . 1 . 1181 . A 62 ARG CA . 25064 2 453 . 1 1 62 62 ARG CB C 13 29.425 0.062 . 1 . 1186 . A 62 ARG CB . 25064 2 454 . 1 1 62 62 ARG CG C 13 27.179 0.065 . 1 . 1593 . A 62 ARG CG . 25064 2 455 . 1 1 62 62 ARG CD C 13 43.159 0.0 . 1 . 1594 . A 62 ARG CD . 25064 2 456 . 1 1 63 63 GLN H H 1 7.482 0.007 . 1 . 914 . A 63 GLN H . 25064 2 457 . 1 1 63 63 GLN HA H 1 4.028 0.012 . 1 . 1310 . A 63 GLN HA . 25064 2 458 . 1 1 63 63 GLN HB2 H 1 1.943 0.002 . 2 . 1312 . A 63 GLN HB2 . 25064 2 459 . 1 1 63 63 GLN HB3 H 1 2.077 0.001 . 2 . 1311 . A 63 GLN HB3 . 25064 2 460 . 1 1 63 63 GLN HG2 H 1 2.150 0.01 . 1 . 1716 . A 63 GLN HG2 . 25064 2 461 . 1 1 63 63 GLN HG3 H 1 2.150 0.01 . 1 . 1763 . A 63 GLN HG3 . 25064 2 462 . 1 1 63 63 GLN CA C 13 57.753 0.10 . 1 . 1762 . A 63 GLN CA . 25064 2 463 . 1 1 63 63 GLN CB C 13 28.440 0.061 . 1 . 1187 . A 63 GLN CB . 25064 2 464 . 1 1 63 63 GLN CG C 13 34.100 0.10 . 1 . 1592 . A 63 GLN CG . 25064 2 465 . 1 1 64 64 LEU H H 1 7.229 0.004 . 1 . 1003 . A 64 LEU H . 25064 2 466 . 1 1 64 64 LEU HA H 1 3.857 0.006 . 1 . 1286 . A 64 LEU HA . 25064 2 467 . 1 1 64 64 LEU HB2 H 1 1.597 0.004 . 2 . 1288 . A 64 LEU HB2 . 25064 2 468 . 1 1 64 64 LEU HB3 H 1 1.080 0.002 . 2 . 1287 . A 64 LEU HB3 . 25064 2 469 . 1 1 64 64 LEU HG H 1 1.056 0.007 . 1 . 1477 . A 64 LEU HG . 25064 2 470 . 1 1 64 64 LEU HD11 H 1 0.193 0.003 . 2 . 1765 . A 64 LEU HD11 . 25064 2 471 . 1 1 64 64 LEU HD12 H 1 0.193 0.003 . 2 . 1765 . A 64 LEU HD12 . 25064 2 472 . 1 1 64 64 LEU HD13 H 1 0.193 0.003 . 2 . 1765 . A 64 LEU HD13 . 25064 2 473 . 1 1 64 64 LEU HD21 H 1 0.432 0.005 . 2 . 1764 . A 64 LEU HD21 . 25064 2 474 . 1 1 64 64 LEU HD22 H 1 0.432 0.005 . 2 . 1764 . A 64 LEU HD22 . 25064 2 475 . 1 1 64 64 LEU HD23 H 1 0.432 0.005 . 2 . 1764 . A 64 LEU HD23 . 25064 2 476 . 1 1 64 64 LEU CA C 13 57.167 0.065 . 1 . 1180 . A 64 LEU CA . 25064 2 477 . 1 1 64 64 LEU CB C 13 40.770 0.024 . 1 . 1183 . A 64 LEU CB . 25064 2 478 . 1 1 64 64 LEU CG C 13 27.208 0.034 . 1 . 1556 . A 64 LEU CG . 25064 2 479 . 1 1 64 64 LEU CD1 C 13 25.241 0.056 . 2 . 1557 . A 64 LEU CD1 . 25064 2 480 . 1 1 64 64 LEU CD2 C 13 23.720 0.038 . 2 . 1558 . A 64 LEU CD2 . 25064 2 481 . 1 1 65 65 PHE H H 1 7.408 0.01 . 1 . 878 . A 65 PHE H . 25064 2 482 . 1 1 65 65 PHE HA H 1 4.366 0.003 . 1 . 1441 . A 65 PHE HA . 25064 2 483 . 1 1 65 65 PHE HB2 H 1 2.952 0.001 . 2 . 1268 . A 65 PHE HB2 . 25064 2 484 . 1 1 65 65 PHE HB3 H 1 3.208 0.003 . 2 . 1269 . A 65 PHE HB3 . 25064 2 485 . 1 1 65 65 PHE HD1 H 1 7.056 0.01 . 3 . 1810 . A 65 PHE HD1 . 25064 2 486 . 1 1 65 65 PHE HD2 H 1 7.056 0.01 . 3 . 1810 . A 65 PHE HD2 . 25064 2 487 . 1 1 65 65 PHE CB C 13 37.986 0.027 . 1 . 1184 . A 65 PHE CB . 25064 2 488 . 1 1 66 66 SER H H 1 7.670 0.01 . 1 . 882 . A 66 SER H . 25064 2 489 . 1 1 66 66 SER HB3 H 1 3.939 0.01 . 1 . 1260 . A 66 SER HB3 . 25064 2 490 . 1 1 66 66 SER CB C 13 63.406 0.10 . 1 . 1176 . A 66 SER CB . 25064 2 491 . 1 1 67 67 SER H H 1 7.744 0.01 . 1 . 886 . A 67 SER H . 25064 2 492 . 1 1 67 67 SER HA H 1 4.796 0.01 . 1 . 1840 . A 67 SER HA . 25064 2 493 . 1 1 67 67 SER HB2 H 1 3.822 0.01 . 1 . 1766 . A 67 SER HB2 . 25064 2 494 . 1 1 67 67 SER CB C 13 64.362 0.10 . 1 . 1178 . A 67 SER CB . 25064 2 495 . 1 1 68 68 PRO HA H 1 5.040 0.01 . 1 . 1320 . A 68 PRO HA . 25064 2 496 . 1 1 69 69 THR HA H 1 5.502 0.01 . 1 . 1688 . A 69 THR HA . 25064 2 497 . 1 1 69 69 THR HB H 1 4.674 0.01 . 1 . 1494 . A 69 THR HB . 25064 2 498 . 1 1 69 69 THR HG21 H 1 1.023 0.001 . 1 . 1820 . A 69 THR HG21 . 25064 2 499 . 1 1 69 69 THR HG22 H 1 1.023 0.001 . 1 . 1820 . A 69 THR HG22 . 25064 2 500 . 1 1 69 69 THR HG23 H 1 1.023 0.001 . 1 . 1820 . A 69 THR HG23 . 25064 2 501 . 1 1 69 69 THR CG2 C 13 21.236 0.017 . 1 . 1874 . A 69 THR CG2 . 25064 2 502 . 1 1 70 70 PRO HA H 1 3.806 0.01 . 1 . 1299 . A 70 PRO HA . 25064 2 503 . 1 1 70 70 PRO HB2 H 1 1.596 0.001 . 2 . 1298 . A 70 PRO HB2 . 25064 2 504 . 1 1 70 70 PRO HB3 H 1 1.876 0.01 . 2 . 1297 . A 70 PRO HB3 . 25064 2 505 . 1 1 70 70 PRO HD3 H 1 3.576 0.002 . 1 . 1771 . A 70 PRO HD3 . 25064 2 506 . 1 1 70 70 PRO CB C 13 32.791 0.057 . 1 . 1207 . A 70 PRO CB . 25064 2 507 . 1 1 71 71 ALA H H 1 8.795 0.01 . 1 . 902 . A 71 ALA H . 25064 2 508 . 1 1 71 71 ALA HA H 1 4.209 0.01 . 1 . 1289 . A 71 ALA HA . 25064 2 509 . 1 1 71 71 ALA HB1 H 1 1.300 0.01 . 1 . 1290 . A 71 ALA HB1 . 25064 2 510 . 1 1 71 71 ALA HB2 H 1 1.300 0.01 . 1 . 1290 . A 71 ALA HB2 . 25064 2 511 . 1 1 71 71 ALA HB3 H 1 1.300 0.01 . 1 . 1290 . A 71 ALA HB3 . 25064 2 512 . 1 1 71 71 ALA CA C 13 55.088 0.10 . 1 . 1203 . A 71 ALA CA . 25064 2 513 . 1 1 72 72 GLY H H 1 8.186 0.01 . 1 . 874 . A 72 GLY H . 25064 2 514 . 1 1 72 72 GLY HA2 H 1 3.720 0.01 . 2 . 1337 . A 72 GLY HA2 . 25064 2 515 . 1 1 72 72 GLY HA3 H 1 4.021 0.003 . 2 . 1338 . A 72 GLY HA3 . 25064 2 516 . 1 1 72 72 GLY CA C 13 46.748 0.065 . 1 . 1205 . A 72 GLY CA . 25064 2 517 . 1 1 73 73 VAL H H 1 9.123 0.005 . 1 . 995 . A 73 VAL H . 25064 2 518 . 1 1 73 73 VAL HA H 1 3.564 0.003 . 1 . 1313 . A 73 VAL HA . 25064 2 519 . 1 1 73 73 VAL HB H 1 2.062 0.001 . 1 . 1314 . A 73 VAL HB . 25064 2 520 . 1 1 73 73 VAL HG11 H 1 0.807 0.01 . 2 . 1461 . A 73 VAL HG11 . 25064 2 521 . 1 1 73 73 VAL HG12 H 1 0.807 0.01 . 2 . 1461 . A 73 VAL HG12 . 25064 2 522 . 1 1 73 73 VAL HG13 H 1 0.807 0.01 . 2 . 1461 . A 73 VAL HG13 . 25064 2 523 . 1 1 73 73 VAL HG21 H 1 1.124 0.01 . 2 . 1460 . A 73 VAL HG21 . 25064 2 524 . 1 1 73 73 VAL HG22 H 1 1.124 0.01 . 2 . 1460 . A 73 VAL HG22 . 25064 2 525 . 1 1 73 73 VAL HG23 H 1 1.124 0.01 . 2 . 1460 . A 73 VAL HG23 . 25064 2 526 . 1 1 73 73 VAL CA C 13 66.695 0.052 . 1 . 1201 . A 73 VAL CA . 25064 2 527 . 1 1 73 73 VAL CB C 13 31.346 0.10 . 1 . 1208 . A 73 VAL CB . 25064 2 528 . 1 1 74 74 ALA HA H 1 3.766 0.01 . 1 . 1340 . A 74 ALA HA . 25064 2 529 . 1 1 74 74 ALA HB1 H 1 1.424 0.01 . 1 . 1341 . A 74 ALA HB1 . 25064 2 530 . 1 1 74 74 ALA HB2 H 1 1.424 0.01 . 1 . 1341 . A 74 ALA HB2 . 25064 2 531 . 1 1 74 74 ALA HB3 H 1 1.424 0.01 . 1 . 1341 . A 74 ALA HB3 . 25064 2 532 . 1 1 74 74 ALA CA C 13 55.776 0.10 . 1 . 1204 . A 74 ALA CA . 25064 2 533 . 1 1 75 75 ARG H H 1 7.700 0.008 . 1 . 912 . A 75 ARG H . 25064 2 534 . 1 1 75 75 ARG HA H 1 4.043 0.01 . 1 . 1354 . A 75 ARG HA . 25064 2 535 . 1 1 75 75 ARG HB2 H 1 1.840 0.01 . 2 . 1355 . A 75 ARG HB2 . 25064 2 536 . 1 1 75 75 ARG HB3 H 1 1.989 0.005 . 2 . 1356 . A 75 ARG HB3 . 25064 2 537 . 1 1 75 75 ARG HG2 H 1 1.580 0.004 . 2 . 1464 . A 75 ARG HG2 . 25064 2 538 . 1 1 75 75 ARG HG3 H 1 1.857 0.011 . 2 . 1463 . A 75 ARG HG3 . 25064 2 539 . 1 1 75 75 ARG HD2 H 1 3.283 0.003 . 2 . 1775 . A 75 ARG HD2 . 25064 2 540 . 1 1 75 75 ARG HD3 H 1 3.154 0.001 . 2 . 1777 . A 75 ARG HD3 . 25064 2 541 . 1 1 75 75 ARG CA C 13 59.513 0.067 . 1 . 1202 . A 75 ARG CA . 25064 2 542 . 1 1 75 75 ARG CB C 13 30.402 0.10 . 1 . 1209 . A 75 ARG CB . 25064 2 543 . 1 1 75 75 ARG CG C 13 28.097 0.053 . 1 . 1601 . A 75 ARG CG . 25064 2 544 . 1 1 75 75 ARG CD C 13 43.369 0.089 . 1 . 1600 . A 75 ARG CD . 25064 2 545 . 1 1 77 77 LEU H H 1 8.461 0.008 . 1 . 936 . A 77 LEU H . 25064 2 546 . 1 1 77 77 LEU HA H 1 3.978 0.01 . 1 . 1412 . A 77 LEU HA . 25064 2 547 . 1 1 77 77 LEU HB2 H 1 1.839 0.007 . 2 . 1413 . A 77 LEU HB2 . 25064 2 548 . 1 1 77 77 LEU HB3 H 1 1.489 0.01 . 2 . 1442 . A 77 LEU HB3 . 25064 2 549 . 1 1 77 77 LEU HG H 1 1.945 0.005 . 1 . 1776 . A 77 LEU HG . 25064 2 550 . 1 1 77 77 LEU HD11 H 1 0.727 0.004 . 2 . 1779 . A 77 LEU HD11 . 25064 2 551 . 1 1 77 77 LEU HD12 H 1 0.727 0.004 . 2 . 1779 . A 77 LEU HD12 . 25064 2 552 . 1 1 77 77 LEU HD13 H 1 0.727 0.004 . 2 . 1779 . A 77 LEU HD13 . 25064 2 553 . 1 1 77 77 LEU HD21 H 1 0.815 0.01 . 2 . 1807 . A 77 LEU HD21 . 25064 2 554 . 1 1 77 77 LEU HD22 H 1 0.815 0.01 . 2 . 1807 . A 77 LEU HD22 . 25064 2 555 . 1 1 77 77 LEU HD23 H 1 0.815 0.01 . 2 . 1807 . A 77 LEU HD23 . 25064 2 556 . 1 1 77 77 LEU CA C 13 57.061 0.025 . 1 . 1223 . A 77 LEU CA . 25064 2 557 . 1 1 77 77 LEU CB C 13 41.236 0.064 . 1 . 1226 . A 77 LEU CB . 25064 2 558 . 1 1 77 77 LEU CG C 13 26.279 0.025 . 1 . 1602 . A 77 LEU CG . 25064 2 559 . 1 1 77 77 LEU CD1 C 13 26.293 0.017 . 2 . 1778 . A 77 LEU CD1 . 25064 2 560 . 1 1 77 77 LEU CD2 C 13 23.350 0.02 . 2 . 1603 . A 77 LEU CD2 . 25064 2 561 . 1 1 78 78 ALA H H 1 7.762 0.01 . 1 . 965 . A 78 ALA H . 25064 2 562 . 1 1 78 78 ALA HA H 1 4.164 0.01 . 1 . 1396 . A 78 ALA HA . 25064 2 563 . 1 1 78 78 ALA CA C 13 53.840 0.10 . 1 . 1224 . A 78 ALA CA . 25064 2 564 . 1 1 79 79 ALA HA H 1 4.201 0.01 . 1 . 1389 . A 79 ALA HA . 25064 2 565 . 1 1 79 79 ALA HB1 H 1 1.440 0.01 . 1 . 1390 . A 79 ALA HB1 . 25064 2 566 . 1 1 79 79 ALA HB2 H 1 1.440 0.01 . 1 . 1390 . A 79 ALA HB2 . 25064 2 567 . 1 1 79 79 ALA HB3 H 1 1.440 0.01 . 1 . 1390 . A 79 ALA HB3 . 25064 2 568 . 1 1 79 79 ALA CA C 13 53.377 0.10 . 1 . 1225 . A 79 ALA CA . 25064 2 569 . 1 1 80 80 LYS H H 1 7.782 0.01 . 1 . 920 . A 80 LYS H . 25064 2 570 . 1 1 80 80 LYS HA H 1 4.235 0.01 . 1 . 1362 . A 80 LYS HA . 25064 2 571 . 1 1 80 80 LYS HB2 H 1 1.803 0.004 . 1 . 1363 . A 80 LYS HB2 . 25064 2 572 . 1 1 80 80 LYS HB3 H 1 1.803 0.004 . 1 . 1780 . A 80 LYS HB3 . 25064 2 573 . 1 1 80 80 LYS CB C 13 32.406 0.048 . 1 . 1228 . A 80 LYS CB . 25064 2 574 . 1 1 83 83 SER HA H 1 4.321 0.01 . 1 . 1303 . A 83 SER HA . 25064 2 575 . 1 1 83 83 SER HB2 H 1 3.789 0.01 . 1 . 1302 . A 83 SER HB2 . 25064 2 576 . 1 1 83 83 SER HB3 H 1 3.789 0.01 . 1 . 1787 . A 83 SER HB3 . 25064 2 577 . 1 1 83 83 SER CA C 13 58.791 0.10 . 1 . 1610 . A 83 SER CA . 25064 2 578 . 1 1 84 84 TRP HA H 1 4.663 0.01 . 1 . 1292 . A 84 TRP HA . 25064 2 579 . 1 1 84 84 TRP HB2 H 1 3.241 0.0 . 1 . 1293 . A 84 TRP HB2 . 25064 2 580 . 1 1 84 84 TRP HB3 H 1 3.241 0.0 . 1 . 1806 . A 84 TRP HB3 . 25064 2 581 . 1 1 84 84 TRP HE3 H 1 7.535 0.01 . 1 . 1814 . A 84 TRP HE3 . 25064 2 582 . 1 1 84 84 TRP CB C 13 29.472 0.003 . 1 . 1236 . A 84 TRP CB . 25064 2 583 . 1 1 87 87 PRO HA H 1 4.324 0.01 . 1 . 1384 . A 87 PRO HA . 25064 2 584 . 1 1 87 87 PRO HB2 H 1 2.205 0.002 . 2 . 1385 . A 87 PRO HB2 . 25064 2 585 . 1 1 87 87 PRO HB3 H 1 1.786 0.03 . 2 . 1386 . A 87 PRO HB3 . 25064 2 586 . 1 1 87 87 PRO HG2 H 1 1.977 0.027 . 1 . 1804 . A 87 PRO HG2 . 25064 2 587 . 1 1 87 87 PRO HG3 H 1 1.977 0.027 . 1 . 1805 . A 87 PRO HG3 . 25064 2 588 . 1 1 87 87 PRO CB C 13 31.951 0.052 . 1 . 1247 . A 87 PRO CB . 25064 2 589 . 1 1 87 87 PRO CG C 13 27.255 0.10 . 1 . 1543 . A 87 PRO CG . 25064 2 590 . 1 1 88 88 GLN HA H 1 4.235 0.01 . 1 . 1379 . A 88 GLN HA . 25064 2 591 . 1 1 88 88 GLN HB3 H 1 1.857 0.01 . 1 . 1380 . A 88 GLN HB3 . 25064 2 592 . 1 1 88 88 GLN CA C 13 55.850 0.10 . 1 . 1243 . A 88 GLN CA . 25064 2 593 . 1 1 89 89 PHE HB2 H 1 3.176 0.01 . 1 . 1365 . A 89 PHE HB2 . 25064 2 594 . 1 1 89 89 PHE HD1 H 1 7.227 0.01 . 3 . 1816 . A 89 PHE HD1 . 25064 2 595 . 1 1 89 89 PHE HD2 H 1 7.227 0.01 . 3 . 1816 . A 89 PHE HD2 . 25064 2 596 . 1 1 89 89 PHE CB C 13 39.433 0.10 . 1 . 1246 . A 89 PHE CB . 25064 2 597 . 1 1 91 91 LYS HB2 H 1 1.793 0.01 . 1 . 1422 . A 91 LYS HB2 . 25064 2 598 . 1 1 91 91 LYS HB3 H 1 1.793 0.01 . 1 . 1800 . A 91 LYS HB3 . 25064 2 599 . 1 1 91 91 LYS HG3 H 1 1.391 0.01 . 1 . 1799 . A 91 LYS HG3 . 25064 2 600 . 1 1 91 91 LYS CB C 13 33.484 0.10 . 1 . 1250 . A 91 LYS CB . 25064 2 stop_ save_ save_assigned_chem_shift_list_1_2_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2_3 _Assigned_chem_shift_list.Entry_ID 25064 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '2D 1H-1H NOESY' . . isotropic 25064 3 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 25064 3 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 5 5 LYS HA H 1 4.232 0.01 . 1 . 1406 . A 5 LYS HA . 25064 3 2 . 1 1 6 6 ALA H H 1 8.401 0.01 . 1 . 985 . A 6 ALA H . 25064 3 3 . 1 1 8 8 GLU H H 1 8.737 0.01 . 1 . 952 . A 8 GLU H . 25064 3 4 . 1 1 8 8 GLU HB3 H 1 1.909 0.01 . 1 . 1306 . A 8 GLU HB3 . 25064 3 5 . 1 1 9 9 SER HA H 1 4.513 0.0 . 1 . 1823 . A 9 SER HA . 25064 3 6 . 1 1 9 9 SER HB2 H 1 3.925 0.01 . 2 . 1825 . A 9 SER HB2 . 25064 3 7 . 1 1 9 9 SER HB3 H 1 4.252 0.01 . 2 . 1824 . A 9 SER HB3 . 25064 3 8 . 1 1 10 10 ALA HA H 1 4.091 0.01 . 1 . 1271 . A 10 ALA HA . 25064 3 9 . 1 1 10 10 ALA HB1 H 1 1.472 0.01 . 1 . 1273 . A 10 ALA HB1 . 25064 3 10 . 1 1 10 10 ALA HB2 H 1 1.472 0.01 . 1 . 1273 . A 10 ALA HB2 . 25064 3 11 . 1 1 10 10 ALA HB3 H 1 1.472 0.01 . 1 . 1273 . A 10 ALA HB3 . 25064 3 12 . 1 1 11 11 THR HA H 1 3.795 0.01 . 1 . 1266 . A 11 THR HA . 25064 3 13 . 1 1 11 11 THR HB H 1 3.995 0.01 . 1 . 1267 . A 11 THR HB . 25064 3 14 . 1 1 11 11 THR HG21 H 1 1.197 0.01 . 1 . 1497 . A 11 THR HG21 . 25064 3 15 . 1 1 11 11 THR HG22 H 1 1.197 0.01 . 1 . 1497 . A 11 THR HG22 . 25064 3 16 . 1 1 11 11 THR HG23 H 1 1.197 0.01 . 1 . 1497 . A 11 THR HG23 . 25064 3 17 . 1 1 12 12 GLU H H 1 8.093 0.001 . 1 . 944 . A 12 GLU H . 25064 3 18 . 1 1 12 12 GLU HB2 H 1 1.719 0.01 . 2 . 1257 . A 12 GLU HB2 . 25064 3 19 . 1 1 12 12 GLU HB3 H 1 2.293 0.01 . 2 . 1256 . A 12 GLU HB3 . 25064 3 20 . 1 1 12 12 GLU HG2 H 1 1.826 0.01 . 2 . 1498 . A 12 GLU HG2 . 25064 3 21 . 1 1 12 12 GLU HG3 H 1 2.206 0.01 . 2 . 1499 . A 12 GLU HG3 . 25064 3 22 . 1 1 13 13 LYS H H 1 8.174 0.01 . 1 . 910 . A 13 LYS H . 25064 3 23 . 1 1 13 13 LYS HA H 1 3.873 0.01 . 1 . 1403 . A 13 LYS HA . 25064 3 24 . 1 1 13 13 LYS HB2 H 1 1.911 0.006 . 2 . 1404 . A 13 LYS HB2 . 25064 3 25 . 1 1 13 13 LYS HB3 H 1 1.916 0.01 . 2 . 1405 . A 13 LYS HB3 . 25064 3 26 . 1 1 13 13 LYS HG2 H 1 1.379 0.01 . 1 . 1486 . A 13 LYS HG2 . 25064 3 27 . 1 1 13 13 LYS HE2 H 1 2.907 0.0 . 1 . 1860 . A 13 LYS HE2 . 25064 3 28 . 1 1 13 13 LYS HE3 H 1 2.907 0.0 . 1 . 1859 . A 13 LYS HE3 . 25064 3 29 . 1 1 14 14 VAL H H 1 7.761 0.0 . 1 . 940 . A 14 VAL H . 25064 3 30 . 1 1 14 14 VAL HA H 1 3.773 0.01 . 1 . 1375 . A 14 VAL HA . 25064 3 31 . 1 1 14 14 VAL HB H 1 2.181 0.001 . 1 . 1376 . A 14 VAL HB . 25064 3 32 . 1 1 14 14 VAL HG11 H 1 0.910 0.0 . 2 . 1496 . A 14 VAL HG11 . 25064 3 33 . 1 1 14 14 VAL HG12 H 1 0.910 0.0 . 2 . 1496 . A 14 VAL HG12 . 25064 3 34 . 1 1 14 14 VAL HG13 H 1 0.910 0.0 . 2 . 1496 . A 14 VAL HG13 . 25064 3 35 . 1 1 14 14 VAL HG21 H 1 1.108 0.0 . 2 . 1495 . A 14 VAL HG21 . 25064 3 36 . 1 1 14 14 VAL HG22 H 1 1.108 0.0 . 2 . 1495 . A 14 VAL HG22 . 25064 3 37 . 1 1 14 14 VAL HG23 H 1 1.108 0.0 . 2 . 1495 . A 14 VAL HG23 . 25064 3 38 . 1 1 15 15 LEU H H 1 8.340 0.003 . 1 . 930 . A 15 LEU H . 25064 3 39 . 1 1 15 15 LEU HA H 1 3.971 0.01 . 1 . 1370 . A 15 LEU HA . 25064 3 40 . 1 1 15 15 LEU HB2 H 1 1.088 0.01 . 2 . 1372 . A 15 LEU HB2 . 25064 3 41 . 1 1 15 15 LEU HB3 H 1 2.017 0.01 . 2 . 1371 . A 15 LEU HB3 . 25064 3 42 . 1 1 15 15 LEU HG H 1 1.819 0.01 . 1 . 1500 . A 15 LEU HG . 25064 3 43 . 1 1 15 15 LEU HD11 H 1 0.826 0.01 . 1 . 1501 . A 15 LEU HD11 . 25064 3 44 . 1 1 15 15 LEU HD12 H 1 0.826 0.01 . 1 . 1501 . A 15 LEU HD12 . 25064 3 45 . 1 1 15 15 LEU HD13 H 1 0.826 0.01 . 1 . 1501 . A 15 LEU HD13 . 25064 3 46 . 1 1 16 16 CYS H H 1 8.535 0.01 . 1 . 904 . A 16 CYS H . 25064 3 47 . 1 1 16 16 CYS HB3 H 1 2.985 0.01 . 1 . 1347 . A 16 CYS HB3 . 25064 3 48 . 1 1 17 17 ALA H H 1 7.622 0.002 . 1 . 969 . A 17 ALA H . 25064 3 49 . 1 1 17 17 ALA HA H 1 4.204 0.0 . 1 . 1326 . A 17 ALA HA . 25064 3 50 . 1 1 17 17 ALA HB1 H 1 1.591 0.01 . 1 . 1327 . A 17 ALA HB1 . 25064 3 51 . 1 1 17 17 ALA HB2 H 1 1.591 0.01 . 1 . 1327 . A 17 ALA HB2 . 25064 3 52 . 1 1 17 17 ALA HB3 H 1 1.591 0.01 . 1 . 1327 . A 17 ALA HB3 . 25064 3 53 . 1 1 18 18 LEU H H 1 8.683 0.003 . 1 . 1545 . A 18 LEU H . 25064 3 54 . 1 1 18 18 LEU HA H 1 4.192 0.01 . 1 . 1281 . A 18 LEU HA . 25064 3 55 . 1 1 18 18 LEU HB2 H 1 2.069 0.0 . 2 . 1282 . A 18 LEU HB2 . 25064 3 56 . 1 1 18 18 LEU HB3 H 1 1.244 0.01 . 2 . 1283 . A 18 LEU HB3 . 25064 3 57 . 1 1 18 18 LEU HD11 H 1 0.700 0.01 . 2 . 1735 . A 18 LEU HD11 . 25064 3 58 . 1 1 18 18 LEU HD12 H 1 0.700 0.01 . 2 . 1735 . A 18 LEU HD12 . 25064 3 59 . 1 1 18 18 LEU HD13 H 1 0.700 0.01 . 2 . 1735 . A 18 LEU HD13 . 25064 3 60 . 1 1 18 18 LEU HD21 H 1 0.824 0.01 . 2 . 1737 . A 18 LEU HD21 . 25064 3 61 . 1 1 18 18 LEU HD22 H 1 0.824 0.01 . 2 . 1737 . A 18 LEU HD22 . 25064 3 62 . 1 1 18 18 LEU HD23 H 1 0.824 0.01 . 2 . 1737 . A 18 LEU HD23 . 25064 3 63 . 1 1 19 19 TYR H H 1 9.163 0.01 . 1 . 1512 . A 19 TYR H . 25064 3 64 . 1 1 19 19 TYR HA H 1 3.974 0.001 . 1 . 1516 . A 19 TYR HA . 25064 3 65 . 1 1 19 19 TYR HB2 H 1 2.727 0.0 . 2 . 1514 . A 19 TYR HB2 . 25064 3 66 . 1 1 19 19 TYR HB3 H 1 3.493 0.01 . 2 . 1515 . A 19 TYR HB3 . 25064 3 67 . 1 1 19 19 TYR HD1 H 1 7.111 0.001 . 3 . 1699 . A 19 TYR HD1 . 25064 3 68 . 1 1 19 19 TYR HD2 H 1 7.111 0.001 . 3 . 1699 . A 19 TYR HD2 . 25064 3 69 . 1 1 19 19 TYR HE1 H 1 6.684 0.001 . 3 . 1684 . A 19 TYR HE1 . 25064 3 70 . 1 1 19 19 TYR HE2 H 1 6.684 0.001 . 3 . 1684 . A 19 TYR HE2 . 25064 3 71 . 1 1 20 20 ALA H H 1 7.804 0.001 . 1 . 938 . A 20 ALA H . 25064 3 72 . 1 1 20 20 ALA HA H 1 3.872 0.0 . 1 . 1373 . A 20 ALA HA . 25064 3 73 . 1 1 20 20 ALA HB1 H 1 1.499 0.001 . 1 . 1374 . A 20 ALA HB1 . 25064 3 74 . 1 1 20 20 ALA HB2 H 1 1.499 0.001 . 1 . 1374 . A 20 ALA HB2 . 25064 3 75 . 1 1 20 20 ALA HB3 H 1 1.499 0.001 . 1 . 1374 . A 20 ALA HB3 . 25064 3 76 . 1 1 22 22 ILE H H 1 8.305 0.01 . 1 . 928 . A 22 ILE H . 25064 3 77 . 1 1 22 22 ILE HA H 1 3.878 0.01 . 1 . 1431 . A 22 ILE HA . 25064 3 78 . 1 1 22 22 ILE HB H 1 2.049 0.01 . 1 . 1432 . A 22 ILE HB . 25064 3 79 . 1 1 22 22 ILE HG13 H 1 1.694 0.01 . 1 . 1453 . A 22 ILE HG13 . 25064 3 80 . 1 1 22 22 ILE HG21 H 1 1.010 0.01 . 1 . 1452 . A 22 ILE HG21 . 25064 3 81 . 1 1 22 22 ILE HG22 H 1 1.010 0.01 . 1 . 1452 . A 22 ILE HG22 . 25064 3 82 . 1 1 22 22 ILE HG23 H 1 1.010 0.01 . 1 . 1452 . A 22 ILE HG23 . 25064 3 83 . 1 1 22 22 ILE HD11 H 1 0.801 0.01 . 1 . 1517 . A 22 ILE HD11 . 25064 3 84 . 1 1 22 22 ILE HD12 H 1 0.801 0.01 . 1 . 1517 . A 22 ILE HD12 . 25064 3 85 . 1 1 22 22 ILE HD13 H 1 0.801 0.01 . 1 . 1517 . A 22 ILE HD13 . 25064 3 86 . 1 1 23 23 LEU H H 1 8.490 0.001 . 1 . 900 . A 23 LEU H . 25064 3 87 . 1 1 23 23 LEU HA H 1 4.132 0.002 . 1 . 1351 . A 23 LEU HA . 25064 3 88 . 1 1 23 23 LEU HB2 H 1 1.388 0.001 . 2 . 1352 . A 23 LEU HB2 . 25064 3 89 . 1 1 23 23 LEU HB3 H 1 1.821 0.01 . 2 . 1353 . A 23 LEU HB3 . 25064 3 90 . 1 1 23 23 LEU HG H 1 1.586 0.001 . 1 . 1465 . A 23 LEU HG . 25064 3 91 . 1 1 23 23 LEU HD11 H 1 0.267 0.001 . 2 . 1466 . A 23 LEU HD11 . 25064 3 92 . 1 1 23 23 LEU HD12 H 1 0.267 0.001 . 2 . 1466 . A 23 LEU HD12 . 25064 3 93 . 1 1 23 23 LEU HD13 H 1 0.267 0.001 . 2 . 1466 . A 23 LEU HD13 . 25064 3 94 . 1 1 23 23 LEU HD21 H 1 0.670 0.005 . 2 . 1467 . A 23 LEU HD21 . 25064 3 95 . 1 1 23 23 LEU HD22 H 1 0.670 0.005 . 2 . 1467 . A 23 LEU HD22 . 25064 3 96 . 1 1 23 23 LEU HD23 H 1 0.670 0.005 . 2 . 1467 . A 23 LEU HD23 . 25064 3 97 . 1 1 24 24 GLY H H 1 7.844 0.01 . 1 . 872 . A 24 GLY H . 25064 3 98 . 1 1 24 24 GLY HA2 H 1 3.878 0.01 . 2 . 1473 . A 24 GLY HA2 . 25064 3 99 . 1 1 24 24 GLY HA3 H 1 3.908 0.01 . 2 . 1418 . A 24 GLY HA3 . 25064 3 100 . 1 1 25 25 VAL H H 1 7.378 0.002 . 1 . 880 . A 25 VAL H . 25064 3 101 . 1 1 25 25 VAL HA H 1 4.601 0.001 . 1 . 1449 . A 25 VAL HA . 25064 3 102 . 1 1 25 25 VAL HB H 1 2.148 0.001 . 1 . 1357 . A 25 VAL HB . 25064 3 103 . 1 1 25 25 VAL HG11 H 1 0.873 0.001 . 2 . 1451 . A 25 VAL HG11 . 25064 3 104 . 1 1 25 25 VAL HG12 H 1 0.873 0.001 . 2 . 1451 . A 25 VAL HG12 . 25064 3 105 . 1 1 25 25 VAL HG13 H 1 0.873 0.001 . 2 . 1451 . A 25 VAL HG13 . 25064 3 106 . 1 1 25 25 VAL HG21 H 1 0.712 0.001 . 2 . 1450 . A 25 VAL HG21 . 25064 3 107 . 1 1 25 25 VAL HG22 H 1 0.712 0.001 . 2 . 1450 . A 25 VAL HG22 . 25064 3 108 . 1 1 25 25 VAL HG23 H 1 0.712 0.001 . 2 . 1450 . A 25 VAL HG23 . 25064 3 109 . 1 1 26 26 GLU H H 1 8.422 0.0 . 1 . 1007 . A 26 GLU H . 25064 3 110 . 1 1 26 26 GLU HA H 1 4.017 0.01 . 1 . 1274 . A 26 GLU HA . 25064 3 111 . 1 1 26 26 GLU HB2 H 1 1.986 0.01 . 2 . 1276 . A 26 GLU HB2 . 25064 3 112 . 1 1 26 26 GLU HB3 H 1 1.985 0.001 . 2 . 1275 . A 26 GLU HB3 . 25064 3 113 . 1 1 27 27 ARG HA H 1 4.473 0.002 . 1 . 1315 . A 27 ARG HA . 25064 3 114 . 1 1 27 27 ARG HB2 H 1 1.721 0.01 . 2 . 1317 . A 27 ARG HB2 . 25064 3 115 . 1 1 27 27 ARG HB3 H 1 1.673 0.01 . 2 . 1316 . A 27 ARG HB3 . 25064 3 116 . 1 1 27 27 ARG HG2 H 1 1.470 0.002 . 2 . 1469 . A 27 ARG HG2 . 25064 3 117 . 1 1 27 27 ARG HG3 H 1 1.426 0.006 . 2 . 1468 . A 27 ARG HG3 . 25064 3 118 . 1 1 27 27 ARG HD2 H 1 3.130 0.0 . 1 . 1741 . A 27 ARG HD2 . 25064 3 119 . 1 1 27 27 ARG HD3 H 1 3.130 0.0 . 1 . 1740 . A 27 ARG HD3 . 25064 3 120 . 1 1 28 28 VAL H H 1 8.347 0.003 . 1 . 979 . A 28 VAL H . 25064 3 121 . 1 1 28 28 VAL HA H 1 4.091 0.01 . 1 . 1253 . A 28 VAL HA . 25064 3 122 . 1 1 28 28 VAL HG11 H 1 1.048 0.01 . 2 . 1479 . A 28 VAL HG11 . 25064 3 123 . 1 1 28 28 VAL HG12 H 1 1.048 0.01 . 2 . 1479 . A 28 VAL HG12 . 25064 3 124 . 1 1 28 28 VAL HG13 H 1 1.048 0.01 . 2 . 1479 . A 28 VAL HG13 . 25064 3 125 . 1 1 28 28 VAL HG21 H 1 0.830 0.01 . 2 . 1480 . A 28 VAL HG21 . 25064 3 126 . 1 1 28 28 VAL HG22 H 1 0.830 0.01 . 2 . 1480 . A 28 VAL HG22 . 25064 3 127 . 1 1 28 28 VAL HG23 H 1 0.830 0.01 . 2 . 1480 . A 28 VAL HG23 . 25064 3 128 . 1 1 29 29 GLY H H 1 9.182 0.01 . 1 . 1017 . A 29 GLY H . 25064 3 129 . 1 1 29 29 GLY HA3 H 1 4.448 0.01 . 1 . 1377 . A 29 GLY HA3 . 25064 3 130 . 1 1 30 30 VAL H H 1 8.159 0.0 . 1 . 876 . A 30 VAL H . 25064 3 131 . 1 1 30 30 VAL HA H 1 3.540 0.01 . 1 . 1358 . A 30 VAL HA . 25064 3 132 . 1 1 30 30 VAL HB H 1 2.015 0.01 . 1 . 1359 . A 30 VAL HB . 25064 3 133 . 1 1 30 30 VAL HG11 H 1 0.828 0.0 . 1 . 1445 . A 30 VAL HG11 . 25064 3 134 . 1 1 30 30 VAL HG12 H 1 0.828 0.0 . 1 . 1445 . A 30 VAL HG12 . 25064 3 135 . 1 1 30 30 VAL HG13 H 1 0.828 0.0 . 1 . 1445 . A 30 VAL HG13 . 25064 3 136 . 1 1 30 30 VAL HG21 H 1 0.828 0.0 . 1 . 1446 . A 30 VAL HG21 . 25064 3 137 . 1 1 30 30 VAL HG22 H 1 0.828 0.0 . 1 . 1446 . A 30 VAL HG22 . 25064 3 138 . 1 1 30 30 VAL HG23 H 1 0.828 0.0 . 1 . 1446 . A 30 VAL HG23 . 25064 3 139 . 1 1 31 31 ASP H H 1 8.155 0.002 . 1 . 892 . A 31 ASP H . 25064 3 140 . 1 1 31 31 ASP HA H 1 5.051 0.003 . 1 . 1323 . A 31 ASP HA . 25064 3 141 . 1 1 31 31 ASP HB2 H 1 2.956 0.007 . 2 . 1324 . A 31 ASP HB2 . 25064 3 142 . 1 1 31 31 ASP HB3 H 1 2.486 0.0 . 2 . 1325 . A 31 ASP HB3 . 25064 3 143 . 1 1 32 32 ASP H H 1 7.295 0.0 . 1 . 971 . A 32 ASP H . 25064 3 144 . 1 1 32 32 ASP HB2 H 1 2.425 0.01 . 2 . 1339 . A 32 ASP HB2 . 25064 3 145 . 1 1 32 32 ASP HB3 H 1 2.945 0.01 . 2 . 1435 . A 32 ASP HB3 . 25064 3 146 . 1 1 33 33 ALA HA H 1 4.080 0.01 . 1 . 1300 . A 33 ALA HA . 25064 3 147 . 1 1 33 33 ALA HB1 H 1 1.325 0.01 . 1 . 1301 . A 33 ALA HB1 . 25064 3 148 . 1 1 33 33 ALA HB2 H 1 1.325 0.01 . 1 . 1301 . A 33 ALA HB2 . 25064 3 149 . 1 1 33 33 ALA HB3 H 1 1.325 0.01 . 1 . 1301 . A 33 ALA HB3 . 25064 3 150 . 1 1 34 34 PHE H H 1 8.395 0.0 . 1 . 948 . A 34 PHE H . 25064 3 151 . 1 1 34 34 PHE HA H 1 3.980 0.01 . 1 . 1263 . A 34 PHE HA . 25064 3 152 . 1 1 34 34 PHE HB2 H 1 3.262 0.003 . 2 . 1264 . A 34 PHE HB2 . 25064 3 153 . 1 1 34 34 PHE HB3 H 1 2.851 0.001 . 2 . 1265 . A 34 PHE HB3 . 25064 3 154 . 1 1 34 34 PHE HD1 H 1 6.541 0.001 . 3 . 1700 . A 34 PHE HD1 . 25064 3 155 . 1 1 34 34 PHE HD2 H 1 6.541 0.001 . 3 . 1700 . A 34 PHE HD2 . 25064 3 156 . 1 1 34 34 PHE HE1 H 1 6.929 0.001 . 3 . 1701 . A 34 PHE HE1 . 25064 3 157 . 1 1 34 34 PHE HE2 H 1 6.929 0.001 . 3 . 1701 . A 34 PHE HE2 . 25064 3 158 . 1 1 34 34 PHE HZ H 1 6.877 0.01 . 1 . 1812 . A 34 PHE HZ . 25064 3 159 . 1 1 35 35 HIS HA H 1 4.295 0.001 . 1 . 1831 . A 35 HIS HA . 25064 3 160 . 1 1 35 35 HIS HB2 H 1 3.141 0.0 . 2 . 1818 . A 35 HIS HB2 . 25064 3 161 . 1 1 35 35 HIS HB3 H 1 3.141 0.01 . 2 . 1830 . A 35 HIS HB3 . 25064 3 162 . 1 1 35 35 HIS HD2 H 1 7.014 0.0 . 1 . 1811 . A 35 HIS HD2 . 25064 3 163 . 1 1 36 36 ASP H H 1 6.888 0.002 . 1 . 1854 . A 36 ASP H . 25064 3 164 . 1 1 36 36 ASP HA H 1 4.519 0.001 . 1 . 1330 . A 36 ASP HA . 25064 3 165 . 1 1 36 36 ASP HB2 H 1 2.749 0.001 . 2 . 1331 . A 36 ASP HB2 . 25064 3 166 . 1 1 36 36 ASP HB3 H 1 2.713 0.01 . 2 . 1476 . A 36 ASP HB3 . 25064 3 167 . 1 1 37 37 LEU H H 1 7.155 0.01 . 1 . 1001 . A 37 LEU H . 25064 3 168 . 1 1 37 37 LEU HD21 H 1 0.911 0.01 . 1 . 1475 . A 37 LEU HD21 . 25064 3 169 . 1 1 37 37 LEU HD22 H 1 0.911 0.01 . 1 . 1475 . A 37 LEU HD22 . 25064 3 170 . 1 1 37 37 LEU HD23 H 1 0.911 0.01 . 1 . 1475 . A 37 LEU HD23 . 25064 3 171 . 1 1 38 38 GLY HA3 H 1 4.116 0.01 . 1 . 1434 . A 38 GLY HA3 . 25064 3 172 . 1 1 39 39 GLY H H 1 7.644 0.0 . 1 . 869 . A 39 GLY H . 25064 3 173 . 1 1 39 39 GLY HA2 H 1 2.246 0.01 . 2 . 1569 . A 39 GLY HA2 . 25064 3 174 . 1 1 39 39 GLY HA3 H 1 3.085 0.01 . 2 . 1519 . A 39 GLY HA3 . 25064 3 175 . 1 1 42 42 ALA HA H 1 4.196 0.01 . 1 . 1285 . A 42 ALA HA . 25064 3 176 . 1 1 42 42 ALA HB1 H 1 1.424 0.01 . 1 . 1284 . A 42 ALA HB1 . 25064 3 177 . 1 1 42 42 ALA HB2 H 1 1.424 0.01 . 1 . 1284 . A 42 ALA HB2 . 25064 3 178 . 1 1 42 42 ALA HB3 H 1 1.424 0.01 . 1 . 1284 . A 42 ALA HB3 . 25064 3 179 . 1 1 43 43 LEU H H 1 7.806 0.001 . 1 . 922 . A 43 LEU H . 25064 3 180 . 1 1 43 43 LEU HA H 1 4.149 0.01 . 1 . 1348 . A 43 LEU HA . 25064 3 181 . 1 1 43 43 LEU HB2 H 1 1.439 0.01 . 2 . 1350 . A 43 LEU HB2 . 25064 3 182 . 1 1 43 43 LEU HB3 H 1 1.818 0.01 . 2 . 1349 . A 43 LEU HB3 . 25064 3 183 . 1 1 43 43 LEU HD11 H 1 0.962 0.004 . 2 . 1749 . A 43 LEU HD11 . 25064 3 184 . 1 1 43 43 LEU HD12 H 1 0.962 0.004 . 2 . 1749 . A 43 LEU HD12 . 25064 3 185 . 1 1 43 43 LEU HD13 H 1 0.962 0.004 . 2 . 1749 . A 43 LEU HD13 . 25064 3 186 . 1 1 43 43 LEU HD21 H 1 0.909 0.01 . 2 . 1750 . A 43 LEU HD21 . 25064 3 187 . 1 1 43 43 LEU HD22 H 1 0.909 0.01 . 2 . 1750 . A 43 LEU HD22 . 25064 3 188 . 1 1 43 43 LEU HD23 H 1 0.909 0.01 . 2 . 1750 . A 43 LEU HD23 . 25064 3 189 . 1 1 44 44 ALA HB1 H 1 1.428 0.01 . 1 . 1262 . A 44 ALA HB1 . 25064 3 190 . 1 1 44 44 ALA HB2 H 1 1.428 0.01 . 1 . 1262 . A 44 ALA HB2 . 25064 3 191 . 1 1 44 44 ALA HB3 H 1 1.428 0.01 . 1 . 1262 . A 44 ALA HB3 . 25064 3 192 . 1 1 45 45 MET H H 1 7.744 0.0 . 1 . 888 . A 45 MET H . 25064 3 193 . 1 1 45 45 MET HA H 1 4.163 0.001 . 1 . 1367 . A 45 MET HA . 25064 3 194 . 1 1 45 45 MET HB2 H 1 2.124 0.0 . 2 . 1436 . A 45 MET HB2 . 25064 3 195 . 1 1 45 45 MET HB3 H 1 2.231 0.001 . 2 . 1369 . A 45 MET HB3 . 25064 3 196 . 1 1 45 45 MET HG2 H 1 2.787 0.004 . 2 . 1368 . A 45 MET HG2 . 25064 3 197 . 1 1 45 45 MET HG3 H 1 2.708 0.004 . 2 . 1472 . A 45 MET HG3 . 25064 3 198 . 1 1 45 45 MET HE1 H 1 2.124 0.0 . 1 . 1752 . A 45 MET HE1 . 25064 3 199 . 1 1 45 45 MET HE2 H 1 2.124 0.0 . 1 . 1752 . A 45 MET HE2 . 25064 3 200 . 1 1 45 45 MET HE3 H 1 2.124 0.0 . 1 . 1752 . A 45 MET HE3 . 25064 3 201 . 1 1 46 46 ARG H H 1 7.295 0.01 . 1 . 1005 . A 46 ARG H . 25064 3 202 . 1 1 46 46 ARG HA H 1 4.170 0.01 . 1 . 1819 . A 46 ARG HA . 25064 3 203 . 1 1 46 46 ARG HB2 H 1 2.021 0.01 . 1 . 1391 . A 46 ARG HB2 . 25064 3 204 . 1 1 46 46 ARG HB3 H 1 2.021 0.01 . 1 . 1392 . A 46 ARG HB3 . 25064 3 205 . 1 1 47 47 LEU H H 1 8.257 0.001 . 1 . 961 . A 47 LEU H . 25064 3 206 . 1 1 47 47 LEU HA H 1 3.894 0.001 . 1 . 1398 . A 47 LEU HA . 25064 3 207 . 1 1 47 47 LEU HB2 H 1 1.906 0.01 . 2 . 1399 . A 47 LEU HB2 . 25064 3 208 . 1 1 47 47 LEU HB3 H 1 1.219 0.01 . 2 . 1400 . A 47 LEU HB3 . 25064 3 209 . 1 1 47 47 LEU HG H 1 1.300 0.01 . 1 . 1692 . A 47 LEU HG . 25064 3 210 . 1 1 47 47 LEU HD11 H 1 0.177 0.001 . 2 . 1484 . A 47 LEU HD11 . 25064 3 211 . 1 1 47 47 LEU HD12 H 1 0.177 0.001 . 2 . 1484 . A 47 LEU HD12 . 25064 3 212 . 1 1 47 47 LEU HD13 H 1 0.177 0.001 . 2 . 1484 . A 47 LEU HD13 . 25064 3 213 . 1 1 47 47 LEU HD21 H 1 0.798 0.01 . 2 . 1693 . A 47 LEU HD21 . 25064 3 214 . 1 1 47 47 LEU HD22 H 1 0.798 0.01 . 2 . 1693 . A 47 LEU HD22 . 25064 3 215 . 1 1 47 47 LEU HD23 H 1 0.798 0.01 . 2 . 1693 . A 47 LEU HD23 . 25064 3 216 . 1 1 48 48 ILE H H 1 8.486 0.002 . 1 . 934 . A 48 ILE H . 25064 3 217 . 1 1 48 48 ILE HA H 1 3.552 0.01 . 1 . 1407 . A 48 ILE HA . 25064 3 218 . 1 1 48 48 ILE HB H 1 1.970 0.01 . 1 . 1408 . A 48 ILE HB . 25064 3 219 . 1 1 48 48 ILE HG12 H 1 1.298 0.01 . 2 . 1508 . A 48 ILE HG12 . 25064 3 220 . 1 1 48 48 ILE HG13 H 1 1.494 0.01 . 2 . 1758 . A 48 ILE HG13 . 25064 3 221 . 1 1 48 48 ILE HG21 H 1 1.009 0.01 . 1 . 1507 . A 48 ILE HG21 . 25064 3 222 . 1 1 48 48 ILE HG22 H 1 1.009 0.01 . 1 . 1507 . A 48 ILE HG22 . 25064 3 223 . 1 1 48 48 ILE HG23 H 1 1.009 0.01 . 1 . 1507 . A 48 ILE HG23 . 25064 3 224 . 1 1 48 48 ILE HD11 H 1 0.727 0.01 . 1 . 1506 . A 48 ILE HD11 . 25064 3 225 . 1 1 48 48 ILE HD12 H 1 0.727 0.01 . 1 . 1506 . A 48 ILE HD12 . 25064 3 226 . 1 1 48 48 ILE HD13 H 1 0.727 0.01 . 1 . 1506 . A 48 ILE HD13 . 25064 3 227 . 1 1 49 49 ALA H H 1 7.645 0.0 . 1 . 981 . A 49 ALA H . 25064 3 228 . 1 1 49 49 ALA HA H 1 4.198 0.01 . 1 . 1335 . A 49 ALA HA . 25064 3 229 . 1 1 49 49 ALA HB1 H 1 1.557 0.01 . 1 . 1336 . A 49 ALA HB1 . 25064 3 230 . 1 1 49 49 ALA HB2 H 1 1.557 0.01 . 1 . 1336 . A 49 ALA HB2 . 25064 3 231 . 1 1 49 49 ALA HB3 H 1 1.557 0.01 . 1 . 1336 . A 49 ALA HB3 . 25064 3 232 . 1 1 50 50 ARG H H 1 8.030 0.001 . 1 . 924 . A 50 ARG H . 25064 3 233 . 1 1 50 50 ARG HA H 1 4.262 0.01 . 1 . 1414 . A 50 ARG HA . 25064 3 234 . 1 1 50 50 ARG HB2 H 1 2.031 0.01 . 2 . 1493 . A 50 ARG HB2 . 25064 3 235 . 1 1 50 50 ARG HB3 H 1 1.926 0.01 . 2 . 1492 . A 50 ARG HB3 . 25064 3 236 . 1 1 51 51 ILE H H 1 8.853 0.002 . 1 . 950 . A 51 ILE H . 25064 3 237 . 1 1 51 51 ILE HA H 1 3.370 0.002 . 1 . 1383 . A 51 ILE HA . 25064 3 238 . 1 1 51 51 ILE HB H 1 2.006 0.0 . 1 . 1382 . A 51 ILE HB . 25064 3 239 . 1 1 51 51 ILE HG12 H 1 0.664 0.017 . 2 . 1505 . A 51 ILE HG12 . 25064 3 240 . 1 1 51 51 ILE HG13 H 1 1.932 0.006 . 2 . 1504 . A 51 ILE HG13 . 25064 3 241 . 1 1 51 51 ILE HG21 H 1 0.843 0.012 . 1 . 1503 . A 51 ILE HG21 . 25064 3 242 . 1 1 51 51 ILE HG22 H 1 0.843 0.012 . 1 . 1503 . A 51 ILE HG22 . 25064 3 243 . 1 1 51 51 ILE HG23 H 1 0.843 0.012 . 1 . 1503 . A 51 ILE HG23 . 25064 3 244 . 1 1 51 51 ILE HD11 H 1 0.655 0.002 . 1 . 1502 . A 51 ILE HD11 . 25064 3 245 . 1 1 51 51 ILE HD12 H 1 0.655 0.002 . 1 . 1502 . A 51 ILE HD12 . 25064 3 246 . 1 1 51 51 ILE HD13 H 1 0.655 0.002 . 1 . 1502 . A 51 ILE HD13 . 25064 3 247 . 1 1 52 52 ARG H H 1 7.821 0.01 . 1 . 942 . A 52 ARG H . 25064 3 248 . 1 1 52 52 ARG HA H 1 4.066 0.002 . 1 . 1360 . A 52 ARG HA . 25064 3 249 . 1 1 52 52 ARG HB2 H 1 1.922 0.01 . 1 . 1437 . A 52 ARG HB2 . 25064 3 250 . 1 1 52 52 ARG HG2 H 1 1.514 0.01 . 2 . 1482 . A 52 ARG HG2 . 25064 3 251 . 1 1 52 52 ARG HG3 H 1 1.464 0.01 . 2 . 1483 . A 52 ARG HG3 . 25064 3 252 . 1 1 52 52 ARG HD2 H 1 3.062 0.002 . 1 . 1481 . A 52 ARG HD2 . 25064 3 253 . 1 1 53 53 GLU H H 1 7.866 0.001 . 1 . 918 . A 53 GLU H . 25064 3 254 . 1 1 53 53 GLU HA H 1 3.953 0.01 . 1 . 1393 . A 53 GLU HA . 25064 3 255 . 1 1 53 53 GLU HB2 H 1 2.263 0.01 . 1 . 1395 . A 53 GLU HB2 . 25064 3 256 . 1 1 53 53 GLU HG2 H 1 2.263 0.01 . 2 . 1485 . A 53 GLU HG2 . 25064 3 257 . 1 1 53 53 GLU HG3 H 1 2.514 0.01 . 2 . 1712 . A 53 GLU HG3 . 25064 3 258 . 1 1 54 54 GLU H H 1 8.524 0.001 . 1 . 896 . A 54 GLU H . 25064 3 259 . 1 1 54 54 GLU HA H 1 4.356 0.01 . 1 . 1307 . A 54 GLU HA . 25064 3 260 . 1 1 54 54 GLU HB3 H 1 1.781 0.01 . 1 . 1308 . A 54 GLU HB3 . 25064 3 261 . 1 1 54 54 GLU HG3 H 1 2.327 0.01 . 1 . 1491 . A 54 GLU HG3 . 25064 3 262 . 1 1 55 55 LEU H H 1 8.639 0.001 . 1 . 898 . A 55 LEU H . 25064 3 263 . 1 1 55 55 LEU HA H 1 4.681 0.0 . 1 . 1332 . A 55 LEU HA . 25064 3 264 . 1 1 55 55 LEU HB3 H 1 1.938 0.01 . 1 . 1334 . A 55 LEU HB3 . 25064 3 265 . 1 1 55 55 LEU HG H 1 1.510 0.01 . 1 . 1704 . A 55 LEU HG . 25064 3 266 . 1 1 55 55 LEU HD11 H 1 0.939 0.003 . 2 . 1702 . A 55 LEU HD11 . 25064 3 267 . 1 1 55 55 LEU HD12 H 1 0.939 0.003 . 2 . 1702 . A 55 LEU HD12 . 25064 3 268 . 1 1 55 55 LEU HD13 H 1 0.939 0.003 . 2 . 1702 . A 55 LEU HD13 . 25064 3 269 . 1 1 55 55 LEU HD21 H 1 0.836 0.01 . 2 . 1703 . A 55 LEU HD21 . 25064 3 270 . 1 1 55 55 LEU HD22 H 1 0.836 0.01 . 2 . 1703 . A 55 LEU HD22 . 25064 3 271 . 1 1 55 55 LEU HD23 H 1 0.836 0.01 . 2 . 1703 . A 55 LEU HD23 . 25064 3 272 . 1 1 56 56 GLY H H 1 7.711 0.0 . 1 . 871 . A 56 GLY H . 25064 3 273 . 1 1 56 56 GLY HA2 H 1 3.957 0.01 . 2 . 1698 . A 56 GLY HA2 . 25064 3 274 . 1 1 56 56 GLY HA3 H 1 3.951 0.0 . 2 . 1280 . A 56 GLY HA3 . 25064 3 275 . 1 1 57 57 VAL H H 1 6.537 0.003 . 1 . 1013 . A 57 VAL H . 25064 3 276 . 1 1 57 57 VAL HA H 1 4.419 0.01 . 1 . 1328 . A 57 VAL HA . 25064 3 277 . 1 1 57 57 VAL HB H 1 1.680 0.01 . 1 . 1329 . A 57 VAL HB . 25064 3 278 . 1 1 57 57 VAL HG11 H 1 0.740 0.01 . 1 . 1462 . A 57 VAL HG11 . 25064 3 279 . 1 1 57 57 VAL HG12 H 1 0.740 0.01 . 1 . 1462 . A 57 VAL HG12 . 25064 3 280 . 1 1 57 57 VAL HG13 H 1 0.740 0.01 . 1 . 1462 . A 57 VAL HG13 . 25064 3 281 . 1 1 57 57 VAL HG21 H 1 0.740 0.01 . 1 . 1705 . A 57 VAL HG21 . 25064 3 282 . 1 1 57 57 VAL HG22 H 1 0.740 0.01 . 1 . 1705 . A 57 VAL HG22 . 25064 3 283 . 1 1 57 57 VAL HG23 H 1 0.740 0.01 . 1 . 1705 . A 57 VAL HG23 . 25064 3 284 . 1 1 58 58 ASP H H 1 8.573 0.0 . 1 . 983 . A 58 ASP H . 25064 3 285 . 1 1 58 58 ASP HA H 1 4.688 0.01 . 1 . 1277 . A 58 ASP HA . 25064 3 286 . 1 1 58 58 ASP HB2 H 1 2.389 0.01 . 2 . 1279 . A 58 ASP HB2 . 25064 3 287 . 1 1 58 58 ASP HB3 H 1 2.552 0.01 . 2 . 1278 . A 58 ASP HB3 . 25064 3 288 . 1 1 59 59 LEU H H 1 8.433 0.001 . 1 . 997 . A 59 LEU H . 25064 3 289 . 1 1 59 59 LEU HA H 1 4.512 0.01 . 1 . 1455 . A 59 LEU HA . 25064 3 290 . 1 1 59 59 LEU HB2 H 1 1.070 0.01 . 2 . 1459 . A 59 LEU HB2 . 25064 3 291 . 1 1 59 59 LEU HB3 H 1 1.739 0.01 . 2 . 1458 . A 59 LEU HB3 . 25064 3 292 . 1 1 59 59 LEU HD11 H 1 0.701 0.01 . 2 . 1456 . A 59 LEU HD11 . 25064 3 293 . 1 1 59 59 LEU HD12 H 1 0.701 0.01 . 2 . 1456 . A 59 LEU HD12 . 25064 3 294 . 1 1 59 59 LEU HD13 H 1 0.701 0.01 . 2 . 1456 . A 59 LEU HD13 . 25064 3 295 . 1 1 59 59 LEU HD21 H 1 0.608 0.01 . 2 . 1457 . A 59 LEU HD21 . 25064 3 296 . 1 1 59 59 LEU HD22 H 1 0.608 0.01 . 2 . 1457 . A 59 LEU HD22 . 25064 3 297 . 1 1 59 59 LEU HD23 H 1 0.608 0.01 . 2 . 1457 . A 59 LEU HD23 . 25064 3 298 . 1 1 60 60 PRO HA H 1 4.401 0.01 . 1 . 1427 . A 60 PRO HA . 25064 3 299 . 1 1 60 60 PRO HB2 H 1 2.382 0.01 . 1 . 1428 . A 60 PRO HB2 . 25064 3 300 . 1 1 60 60 PRO HD2 H 1 3.291 0.01 . 1 . 1714 . A 60 PRO HD2 . 25064 3 301 . 1 1 61 61 ILE H H 1 8.697 0.004 . 1 . 993 . A 61 ILE H . 25064 3 302 . 1 1 61 61 ILE HB H 1 1.725 0.01 . 1 . 1426 . A 61 ILE HB . 25064 3 303 . 1 1 61 61 ILE HG12 H 1 0.993 0.01 . 1 . 1759 . A 61 ILE HG12 . 25064 3 304 . 1 1 61 61 ILE HG21 H 1 0.874 0.001 . 1 . 1471 . A 61 ILE HG21 . 25064 3 305 . 1 1 61 61 ILE HG22 H 1 0.874 0.001 . 1 . 1471 . A 61 ILE HG22 . 25064 3 306 . 1 1 61 61 ILE HG23 H 1 0.874 0.001 . 1 . 1471 . A 61 ILE HG23 . 25064 3 307 . 1 1 61 61 ILE HD11 H 1 0.874 0.001 . 1 . 1470 . A 61 ILE HD11 . 25064 3 308 . 1 1 61 61 ILE HD12 H 1 0.874 0.001 . 1 . 1470 . A 61 ILE HD12 . 25064 3 309 . 1 1 61 61 ILE HD13 H 1 0.874 0.001 . 1 . 1470 . A 61 ILE HD13 . 25064 3 310 . 1 1 62 62 ARG H H 1 8.334 0.002 . 1 . 932 . A 62 ARG H . 25064 3 311 . 1 1 62 62 ARG HA H 1 4.061 0.01 . 1 . 1438 . A 62 ARG HA . 25064 3 312 . 1 1 62 62 ARG HB2 H 1 1.618 0.019 . 2 . 1439 . A 62 ARG HB2 . 25064 3 313 . 1 1 62 62 ARG HB3 H 1 1.744 0.01 . 2 . 1342 . A 62 ARG HB3 . 25064 3 314 . 1 1 62 62 ARG HG2 H 1 1.650 0.005 . 1 . 1761 . A 62 ARG HG2 . 25064 3 315 . 1 1 62 62 ARG HG3 H 1 1.650 0.005 . 1 . 1760 . A 62 ARG HG3 . 25064 3 316 . 1 1 62 62 ARG HD2 H 1 3.152 0.001 . 1 . 1717 . A 62 ARG HD2 . 25064 3 317 . 1 1 62 62 ARG HD3 H 1 3.152 0.001 . 1 . 1718 . A 62 ARG HD3 . 25064 3 318 . 1 1 63 63 GLN H H 1 7.482 0.0 . 1 . 914 . A 63 GLN H . 25064 3 319 . 1 1 63 63 GLN HA H 1 4.032 0.01 . 1 . 1310 . A 63 GLN HA . 25064 3 320 . 1 1 63 63 GLN HB2 H 1 1.985 0.01 . 2 . 1312 . A 63 GLN HB2 . 25064 3 321 . 1 1 63 63 GLN HB3 H 1 2.073 0.01 . 2 . 1311 . A 63 GLN HB3 . 25064 3 322 . 1 1 63 63 GLN HE21 H 1 7.737 0.01 . 1 . 1873 . A 63 GLN HE21 . 25064 3 323 . 1 1 64 64 LEU H H 1 7.243 0.001 . 1 . 1003 . A 64 LEU H . 25064 3 324 . 1 1 64 64 LEU HA H 1 3.861 0.002 . 1 . 1286 . A 64 LEU HA . 25064 3 325 . 1 1 64 64 LEU HB2 H 1 1.601 0.01 . 2 . 1288 . A 64 LEU HB2 . 25064 3 326 . 1 1 64 64 LEU HB3 H 1 1.075 0.01 . 2 . 1287 . A 64 LEU HB3 . 25064 3 327 . 1 1 64 64 LEU HG H 1 1.030 0.01 . 1 . 1477 . A 64 LEU HG . 25064 3 328 . 1 1 64 64 LEU HD11 H 1 0.189 0.01 . 2 . 1765 . A 64 LEU HD11 . 25064 3 329 . 1 1 64 64 LEU HD12 H 1 0.189 0.01 . 2 . 1765 . A 64 LEU HD12 . 25064 3 330 . 1 1 64 64 LEU HD13 H 1 0.189 0.01 . 2 . 1765 . A 64 LEU HD13 . 25064 3 331 . 1 1 64 64 LEU HD21 H 1 0.434 0.01 . 2 . 1764 . A 64 LEU HD21 . 25064 3 332 . 1 1 64 64 LEU HD22 H 1 0.434 0.01 . 2 . 1764 . A 64 LEU HD22 . 25064 3 333 . 1 1 64 64 LEU HD23 H 1 0.434 0.01 . 2 . 1764 . A 64 LEU HD23 . 25064 3 334 . 1 1 65 65 PHE H H 1 7.414 0.0 . 1 . 878 . A 65 PHE H . 25064 3 335 . 1 1 65 65 PHE HA H 1 4.366 0.001 . 1 . 1441 . A 65 PHE HA . 25064 3 336 . 1 1 65 65 PHE HB2 H 1 2.956 0.002 . 2 . 1268 . A 65 PHE HB2 . 25064 3 337 . 1 1 65 65 PHE HB3 H 1 3.217 0.01 . 2 . 1269 . A 65 PHE HB3 . 25064 3 338 . 1 1 65 65 PHE HD1 H 1 7.091 0.01 . 3 . 1810 . A 65 PHE HD1 . 25064 3 339 . 1 1 65 65 PHE HD2 H 1 7.091 0.01 . 3 . 1810 . A 65 PHE HD2 . 25064 3 340 . 1 1 65 65 PHE HE1 H 1 7.168 0.005 . 3 . 1809 . A 65 PHE HE1 . 25064 3 341 . 1 1 65 65 PHE HE2 H 1 7.168 0.005 . 3 . 1809 . A 65 PHE HE2 . 25064 3 342 . 1 1 65 65 PHE HZ H 1 7.211 0.01 . 1 . 1808 . A 65 PHE HZ . 25064 3 343 . 1 1 66 66 SER H H 1 7.663 0.0 . 1 . 882 . A 66 SER H . 25064 3 344 . 1 1 66 66 SER HA H 1 4.370 0.01 . 1 . 1258 . A 66 SER HA . 25064 3 345 . 1 1 66 66 SER HB2 H 1 3.970 0.01 . 1 . 1259 . A 66 SER HB2 . 25064 3 346 . 1 1 67 67 SER H H 1 7.745 0.01 . 1 . 886 . A 67 SER H . 25064 3 347 . 1 1 68 68 PRO HB2 H 1 2.369 0.01 . 2 . 1321 . A 68 PRO HB2 . 25064 3 348 . 1 1 68 68 PRO HB3 H 1 2.523 0.01 . 2 . 1322 . A 68 PRO HB3 . 25064 3 349 . 1 1 68 68 PRO HD3 H 1 3.792 0.01 . 1 . 1489 . A 68 PRO HD3 . 25064 3 350 . 1 1 69 69 THR H H 1 8.244 0.001 . 1 . 926 . A 69 THR H . 25064 3 351 . 1 1 69 69 THR HA H 1 5.514 0.003 . 1 . 1688 . A 69 THR HA . 25064 3 352 . 1 1 69 69 THR HB H 1 4.686 0.001 . 1 . 1494 . A 69 THR HB . 25064 3 353 . 1 1 69 69 THR HG21 H 1 1.011 0.01 . 1 . 1820 . A 69 THR HG21 . 25064 3 354 . 1 1 69 69 THR HG22 H 1 1.011 0.01 . 1 . 1820 . A 69 THR HG22 . 25064 3 355 . 1 1 69 69 THR HG23 H 1 1.011 0.01 . 1 . 1820 . A 69 THR HG23 . 25064 3 356 . 1 1 70 70 PRO HB2 H 1 1.585 0.01 . 2 . 1298 . A 70 PRO HB2 . 25064 3 357 . 1 1 70 70 PRO HB3 H 1 1.850 0.01 . 2 . 1297 . A 70 PRO HB3 . 25064 3 358 . 1 1 70 70 PRO HG2 H 1 2.000 0.01 . 1 . 1773 . A 70 PRO HG2 . 25064 3 359 . 1 1 70 70 PRO HG3 H 1 2.000 0.01 . 1 . 1774 . A 70 PRO HG3 . 25064 3 360 . 1 1 70 70 PRO HD2 H 1 3.540 0.01 . 1 . 1772 . A 70 PRO HD2 . 25064 3 361 . 1 1 70 70 PRO HD3 H 1 3.540 0.01 . 1 . 1771 . A 70 PRO HD3 . 25064 3 362 . 1 1 71 71 ALA H H 1 8.809 0.0 . 1 . 902 . A 71 ALA H . 25064 3 363 . 1 1 71 71 ALA HA H 1 4.129 0.01 . 1 . 1289 . A 71 ALA HA . 25064 3 364 . 1 1 71 71 ALA HB1 H 1 1.307 0.0 . 1 . 1290 . A 71 ALA HB1 . 25064 3 365 . 1 1 71 71 ALA HB2 H 1 1.307 0.0 . 1 . 1290 . A 71 ALA HB2 . 25064 3 366 . 1 1 71 71 ALA HB3 H 1 1.307 0.0 . 1 . 1290 . A 71 ALA HB3 . 25064 3 367 . 1 1 72 72 GLY H H 1 8.192 0.01 . 1 . 874 . A 72 GLY H . 25064 3 368 . 1 1 72 72 GLY HA3 H 1 4.029 0.01 . 1 . 1338 . A 72 GLY HA3 . 25064 3 369 . 1 1 73 73 VAL H H 1 9.124 0.01 . 1 . 995 . A 73 VAL H . 25064 3 370 . 1 1 73 73 VAL HG21 H 1 1.121 0.01 . 1 . 1460 . A 73 VAL HG21 . 25064 3 371 . 1 1 73 73 VAL HG22 H 1 1.121 0.01 . 1 . 1460 . A 73 VAL HG22 . 25064 3 372 . 1 1 73 73 VAL HG23 H 1 1.121 0.01 . 1 . 1460 . A 73 VAL HG23 . 25064 3 373 . 1 1 74 74 ALA H H 1 8.667 0.01 . 1 . 954 . A 74 ALA H . 25064 3 374 . 1 1 74 74 ALA HB1 H 1 1.425 0.01 . 1 . 1341 . A 74 ALA HB1 . 25064 3 375 . 1 1 74 74 ALA HB2 H 1 1.425 0.01 . 1 . 1341 . A 74 ALA HB2 . 25064 3 376 . 1 1 74 74 ALA HB3 H 1 1.425 0.01 . 1 . 1341 . A 74 ALA HB3 . 25064 3 377 . 1 1 75 75 ARG H H 1 7.698 0.0 . 1 . 912 . A 75 ARG H . 25064 3 378 . 1 1 75 75 ARG HA H 1 4.043 0.01 . 1 . 1354 . A 75 ARG HA . 25064 3 379 . 1 1 75 75 ARG HB3 H 1 1.999 0.01 . 1 . 1356 . A 75 ARG HB3 . 25064 3 380 . 1 1 75 75 ARG HG2 H 1 1.587 0.006 . 2 . 1464 . A 75 ARG HG2 . 25064 3 381 . 1 1 75 75 ARG HG3 H 1 1.864 0.01 . 2 . 1463 . A 75 ARG HG3 . 25064 3 382 . 1 1 75 75 ARG HD2 H 1 3.287 0.005 . 2 . 1775 . A 75 ARG HD2 . 25064 3 383 . 1 1 75 75 ARG HD3 H 1 3.152 0.01 . 2 . 1777 . A 75 ARG HD3 . 25064 3 384 . 1 1 76 76 ALA H H 1 7.877 0.01 . 1 . 977 . A 76 ALA H . 25064 3 385 . 1 1 76 76 ALA HA H 1 4.152 0.01 . 1 . 1419 . A 76 ALA HA . 25064 3 386 . 1 1 76 76 ALA HB1 H 1 1.469 0.01 . 1 . 1420 . A 76 ALA HB1 . 25064 3 387 . 1 1 76 76 ALA HB2 H 1 1.469 0.01 . 1 . 1420 . A 76 ALA HB2 . 25064 3 388 . 1 1 76 76 ALA HB3 H 1 1.469 0.01 . 1 . 1420 . A 76 ALA HB3 . 25064 3 389 . 1 1 77 77 LEU H H 1 8.469 0.002 . 1 . 936 . A 77 LEU H . 25064 3 390 . 1 1 77 77 LEU HB2 H 1 1.843 0.01 . 2 . 1413 . A 77 LEU HB2 . 25064 3 391 . 1 1 77 77 LEU HB3 H 1 1.477 0.01 . 2 . 1442 . A 77 LEU HB3 . 25064 3 392 . 1 1 77 77 LEU HG H 1 1.961 0.01 . 1 . 1776 . A 77 LEU HG . 25064 3 393 . 1 1 77 77 LEU HD11 H 1 0.728 0.01 . 1 . 1779 . A 77 LEU HD11 . 25064 3 394 . 1 1 77 77 LEU HD12 H 1 0.728 0.01 . 1 . 1779 . A 77 LEU HD12 . 25064 3 395 . 1 1 77 77 LEU HD13 H 1 0.728 0.01 . 1 . 1779 . A 77 LEU HD13 . 25064 3 396 . 1 1 78 78 ALA H H 1 7.776 0.0 . 1 . 965 . A 78 ALA H . 25064 3 397 . 1 1 78 78 ALA HA H 1 4.167 0.01 . 1 . 1396 . A 78 ALA HA . 25064 3 398 . 1 1 78 78 ALA HB1 H 1 1.482 0.01 . 1 . 1397 . A 78 ALA HB1 . 25064 3 399 . 1 1 78 78 ALA HB2 H 1 1.482 0.01 . 1 . 1397 . A 78 ALA HB2 . 25064 3 400 . 1 1 78 78 ALA HB3 H 1 1.482 0.01 . 1 . 1397 . A 78 ALA HB3 . 25064 3 401 . 1 1 80 80 LYS HA H 1 4.225 0.01 . 1 . 1362 . A 80 LYS HA . 25064 3 402 . 1 1 81 81 SER H H 1 7.890 0.01 . 1 . 890 . A 81 SER H . 25064 3 403 . 1 1 82 82 ALA H H 1 7.805 0.01 . 1 . 967 . A 82 ALA H . 25064 3 404 . 1 1 82 82 ALA HB1 H 1 1.500 0.01 . 1 . 1784 . A 82 ALA HB1 . 25064 3 405 . 1 1 82 82 ALA HB2 H 1 1.500 0.01 . 1 . 1784 . A 82 ALA HB2 . 25064 3 406 . 1 1 82 82 ALA HB3 H 1 1.500 0.01 . 1 . 1784 . A 82 ALA HB3 . 25064 3 407 . 1 1 84 84 TRP H H 1 7.790 0.01 . 1 . 963 . A 84 TRP H . 25064 3 408 . 1 1 84 84 TRP HA H 1 4.675 0.01 . 1 . 1292 . A 84 TRP HA . 25064 3 409 . 1 1 84 84 TRP HB2 H 1 3.257 0.003 . 1 . 1293 . A 84 TRP HB2 . 25064 3 410 . 1 1 84 84 TRP HB3 H 1 3.257 0.003 . 1 . 1806 . A 84 TRP HB3 . 25064 3 411 . 1 1 84 84 TRP HE3 H 1 7.414 0.01 . 1 . 1814 . A 84 TRP HE3 . 25064 3 412 . 1 1 84 84 TRP HH2 H 1 7.170 0.01 . 1 . 1813 . A 84 TRP HH2 . 25064 3 413 . 1 1 89 89 PHE HA H 1 4.645 0.01 . 1 . 1364 . A 89 PHE HA . 25064 3 414 . 1 1 89 89 PHE HD1 H 1 7.228 0.002 . 3 . 1816 . A 89 PHE HD1 . 25064 3 415 . 1 1 89 89 PHE HD2 H 1 7.228 0.002 . 3 . 1816 . A 89 PHE HD2 . 25064 3 416 . 1 1 89 89 PHE HE1 H 1 7.284 0.01 . 3 . 1817 . A 89 PHE HE1 . 25064 3 417 . 1 1 89 89 PHE HE2 H 1 7.284 0.01 . 3 . 1817 . A 89 PHE HE2 . 25064 3 418 . 1 1 89 89 PHE HZ H 1 7.284 0.01 . 1 . 1815 . A 89 PHE HZ . 25064 3 stop_ save_ save_assigned_chem_shift_list_1_2_3_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2_3_4 _Assigned_chem_shift_list.Entry_ID 25064 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . isotropic 25064 4 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 25064 4 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 4 4 ALA HA H 1 4.246 0.01 . 1 . 1415 . A 4 ALA HA . 25064 4 2 . 1 1 5 5 LYS H H 1 8.266 0.01 . 1 . 959 . A 5 LYS H . 25064 4 3 . 1 1 5 5 LYS HA H 1 4.230 0.01 . 1 . 1406 . A 5 LYS HA . 25064 4 4 . 1 1 5 5 LYS HD2 H 1 1.648 0.01 . 1 . 1726 . A 5 LYS HD2 . 25064 4 5 . 1 1 5 5 LYS HD3 H 1 1.648 0.01 . 1 . 1727 . A 5 LYS HD3 . 25064 4 6 . 1 1 5 5 LYS N N 15 121.859 0.10 . 1 . 960 . A 5 LYS N . 25064 4 7 . 1 1 6 6 ALA H H 1 8.403 0.01 . 1 . 985 . A 6 ALA H . 25064 4 8 . 1 1 6 6 ALA HB1 H 1 1.349 0.01 . 1 . 1511 . A 6 ALA HB1 . 25064 4 9 . 1 1 6 6 ALA HB2 H 1 1.349 0.01 . 1 . 1511 . A 6 ALA HB2 . 25064 4 10 . 1 1 6 6 ALA HB3 H 1 1.349 0.01 . 1 . 1511 . A 6 ALA HB3 . 25064 4 11 . 1 1 6 6 ALA N N 15 128.007 0.10 . 1 . 986 . A 6 ALA N . 25064 4 12 . 1 1 7 7 PRO HA H 1 4.333 0.01 . 1 . 1343 . A 7 PRO HA . 25064 4 13 . 1 1 7 7 PRO HB2 H 1 2.190 0.01 . 2 . 1344 . A 7 PRO HB2 . 25064 4 14 . 1 1 7 7 PRO HB3 H 1 1.837 0.01 . 2 . 1345 . A 7 PRO HB3 . 25064 4 15 . 1 1 8 8 GLU H H 1 8.724 0.002 . 1 . 952 . A 8 GLU H . 25064 4 16 . 1 1 8 8 GLU HA H 1 4.377 0.01 . 1 . 1304 . A 8 GLU HA . 25064 4 17 . 1 1 8 8 GLU HB2 H 1 2.009 0.01 . 2 . 1305 . A 8 GLU HB2 . 25064 4 18 . 1 1 8 8 GLU HB3 H 1 1.903 0.01 . 2 . 1306 . A 8 GLU HB3 . 25064 4 19 . 1 1 8 8 GLU N N 15 121.734 0.042 . 1 . 953 . A 8 GLU N . 25064 4 20 . 1 1 9 9 SER H H 1 8.709 0.01 . 1 . 906 . A 9 SER H . 25064 4 21 . 1 1 9 9 SER HB2 H 1 3.927 0.01 . 1 . 1825 . A 9 SER HB2 . 25064 4 22 . 1 1 9 9 SER N N 15 118.068 0.10 . 1 . 907 . A 9 SER N . 25064 4 23 . 1 1 10 10 ALA HA H 1 4.103 0.01 . 1 . 1271 . A 10 ALA HA . 25064 4 24 . 1 1 11 11 THR HA H 1 3.788 0.01 . 1 . 1266 . A 11 THR HA . 25064 4 25 . 1 1 11 11 THR HB H 1 4.019 0.01 . 1 . 1267 . A 11 THR HB . 25064 4 26 . 1 1 11 11 THR HG21 H 1 1.194 0.01 . 1 . 1497 . A 11 THR HG21 . 25064 4 27 . 1 1 11 11 THR HG22 H 1 1.194 0.01 . 1 . 1497 . A 11 THR HG22 . 25064 4 28 . 1 1 11 11 THR HG23 H 1 1.194 0.01 . 1 . 1497 . A 11 THR HG23 . 25064 4 29 . 1 1 12 12 GLU H H 1 8.085 0.001 . 1 . 944 . A 12 GLU H . 25064 4 30 . 1 1 12 12 GLU HA H 1 3.564 0.01 . 1 . 1255 . A 12 GLU HA . 25064 4 31 . 1 1 12 12 GLU HB2 H 1 1.713 0.01 . 2 . 1257 . A 12 GLU HB2 . 25064 4 32 . 1 1 12 12 GLU HB3 H 1 2.284 0.01 . 2 . 1256 . A 12 GLU HB3 . 25064 4 33 . 1 1 12 12 GLU HG2 H 1 1.826 0.01 . 2 . 1498 . A 12 GLU HG2 . 25064 4 34 . 1 1 12 12 GLU HG3 H 1 2.186 0.01 . 2 . 1499 . A 12 GLU HG3 . 25064 4 35 . 1 1 12 12 GLU N N 15 121.145 0.038 . 1 . 945 . A 12 GLU N . 25064 4 36 . 1 1 13 13 LYS H H 1 8.155 0.001 . 1 . 910 . A 13 LYS H . 25064 4 37 . 1 1 13 13 LYS HA H 1 3.877 0.01 . 1 . 1403 . A 13 LYS HA . 25064 4 38 . 1 1 13 13 LYS HB2 H 1 1.903 0.01 . 1 . 1404 . A 13 LYS HB2 . 25064 4 39 . 1 1 13 13 LYS HB3 H 1 1.903 0.01 . 1 . 1405 . A 13 LYS HB3 . 25064 4 40 . 1 1 13 13 LYS HG2 H 1 1.372 0.01 . 2 . 1486 . A 13 LYS HG2 . 25064 4 41 . 1 1 13 13 LYS HG3 H 1 1.561 0.01 . 2 . 1487 . A 13 LYS HG3 . 25064 4 42 . 1 1 13 13 LYS HD2 H 1 1.589 0.01 . 1 . 1402 . A 13 LYS HD2 . 25064 4 43 . 1 1 13 13 LYS HD3 H 1 1.589 0.01 . 1 . 1401 . A 13 LYS HD3 . 25064 4 44 . 1 1 13 13 LYS N N 15 118.947 0.009 . 1 . 911 . A 13 LYS N . 25064 4 45 . 1 1 14 14 VAL H H 1 7.751 0.0 . 1 . 940 . A 14 VAL H . 25064 4 46 . 1 1 14 14 VAL HA H 1 3.770 0.01 . 1 . 1375 . A 14 VAL HA . 25064 4 47 . 1 1 14 14 VAL HB H 1 2.172 0.01 . 1 . 1376 . A 14 VAL HB . 25064 4 48 . 1 1 14 14 VAL HG11 H 1 0.895 0.01 . 2 . 1496 . A 14 VAL HG11 . 25064 4 49 . 1 1 14 14 VAL HG12 H 1 0.895 0.01 . 2 . 1496 . A 14 VAL HG12 . 25064 4 50 . 1 1 14 14 VAL HG13 H 1 0.895 0.01 . 2 . 1496 . A 14 VAL HG13 . 25064 4 51 . 1 1 14 14 VAL HG21 H 1 1.095 0.01 . 2 . 1495 . A 14 VAL HG21 . 25064 4 52 . 1 1 14 14 VAL HG22 H 1 1.095 0.01 . 2 . 1495 . A 14 VAL HG22 . 25064 4 53 . 1 1 14 14 VAL HG23 H 1 1.095 0.01 . 2 . 1495 . A 14 VAL HG23 . 25064 4 54 . 1 1 14 14 VAL N N 15 120.951 0.012 . 1 . 941 . A 14 VAL N . 25064 4 55 . 1 1 15 15 LEU H H 1 8.330 0.001 . 1 . 930 . A 15 LEU H . 25064 4 56 . 1 1 15 15 LEU HA H 1 3.957 0.01 . 1 . 1370 . A 15 LEU HA . 25064 4 57 . 1 1 15 15 LEU HB2 H 1 1.093 0.01 . 2 . 1372 . A 15 LEU HB2 . 25064 4 58 . 1 1 15 15 LEU HB3 H 1 1.994 0.01 . 2 . 1371 . A 15 LEU HB3 . 25064 4 59 . 1 1 15 15 LEU HG H 1 1.813 0.01 . 1 . 1500 . A 15 LEU HG . 25064 4 60 . 1 1 15 15 LEU HD11 H 1 0.826 0.01 . 1 . 1501 . A 15 LEU HD11 . 25064 4 61 . 1 1 15 15 LEU HD12 H 1 0.826 0.01 . 1 . 1501 . A 15 LEU HD12 . 25064 4 62 . 1 1 15 15 LEU HD13 H 1 0.826 0.01 . 1 . 1501 . A 15 LEU HD13 . 25064 4 63 . 1 1 15 15 LEU N N 15 118.960 0.018 . 1 . 931 . A 15 LEU N . 25064 4 64 . 1 1 16 16 CYS H H 1 8.520 0.0 . 1 . 904 . A 16 CYS H . 25064 4 65 . 1 1 16 16 CYS HA H 1 3.632 0.01 . 1 . 1346 . A 16 CYS HA . 25064 4 66 . 1 1 16 16 CYS HB3 H 1 2.964 0.01 . 1 . 1347 . A 16 CYS HB3 . 25064 4 67 . 1 1 16 16 CYS N N 15 116.895 0.012 . 1 . 905 . A 16 CYS N . 25064 4 68 . 1 1 17 17 ALA H H 1 7.608 0.0 . 1 . 969 . A 17 ALA H . 25064 4 69 . 1 1 17 17 ALA HA H 1 4.191 0.01 . 1 . 1326 . A 17 ALA HA . 25064 4 70 . 1 1 17 17 ALA HB1 H 1 1.581 0.01 . 1 . 1327 . A 17 ALA HB1 . 25064 4 71 . 1 1 17 17 ALA HB2 H 1 1.581 0.01 . 1 . 1327 . A 17 ALA HB2 . 25064 4 72 . 1 1 17 17 ALA HB3 H 1 1.581 0.01 . 1 . 1327 . A 17 ALA HB3 . 25064 4 73 . 1 1 17 17 ALA N N 15 123.072 0.011 . 1 . 970 . A 17 ALA N . 25064 4 74 . 1 1 18 18 LEU H H 1 8.672 0.001 . 1 . 1545 . A 18 LEU H . 25064 4 75 . 1 1 18 18 LEU HA H 1 4.198 0.01 . 1 . 1281 . A 18 LEU HA . 25064 4 76 . 1 1 18 18 LEU HB2 H 1 2.058 0.01 . 2 . 1282 . A 18 LEU HB2 . 25064 4 77 . 1 1 18 18 LEU HB3 H 1 1.238 0.01 . 2 . 1283 . A 18 LEU HB3 . 25064 4 78 . 1 1 18 18 LEU HD11 H 1 0.687 0.01 . 2 . 1735 . A 18 LEU HD11 . 25064 4 79 . 1 1 18 18 LEU HD12 H 1 0.687 0.01 . 2 . 1735 . A 18 LEU HD12 . 25064 4 80 . 1 1 18 18 LEU HD13 H 1 0.687 0.01 . 2 . 1735 . A 18 LEU HD13 . 25064 4 81 . 1 1 18 18 LEU HD21 H 1 0.815 0.01 . 2 . 1737 . A 18 LEU HD21 . 25064 4 82 . 1 1 18 18 LEU HD22 H 1 0.815 0.01 . 2 . 1737 . A 18 LEU HD22 . 25064 4 83 . 1 1 18 18 LEU HD23 H 1 0.815 0.01 . 2 . 1737 . A 18 LEU HD23 . 25064 4 84 . 1 1 18 18 LEU N N 15 120.535 0.016 . 1 . 956 . A 18 LEU N . 25064 4 85 . 1 1 19 19 TYR H H 1 9.148 0.003 . 1 . 1512 . A 19 TYR H . 25064 4 86 . 1 1 19 19 TYR HA H 1 3.959 0.01 . 1 . 1516 . A 19 TYR HA . 25064 4 87 . 1 1 19 19 TYR HB2 H 1 2.730 0.01 . 2 . 1514 . A 19 TYR HB2 . 25064 4 88 . 1 1 19 19 TYR HB3 H 1 3.504 0.01 . 2 . 1515 . A 19 TYR HB3 . 25064 4 89 . 1 1 19 19 TYR HD1 H 1 7.095 0.01 . 3 . 1699 . A 19 TYR HD1 . 25064 4 90 . 1 1 19 19 TYR HD2 H 1 7.095 0.01 . 3 . 1699 . A 19 TYR HD2 . 25064 4 91 . 1 1 19 19 TYR N N 15 120.622 0.019 . 1 . 1513 . A 19 TYR N . 25064 4 92 . 1 1 20 20 ALA H H 1 7.795 0.0 . 1 . 938 . A 20 ALA H . 25064 4 93 . 1 1 20 20 ALA HA H 1 3.870 0.01 . 1 . 1373 . A 20 ALA HA . 25064 4 94 . 1 1 20 20 ALA HB1 H 1 1.488 0.01 . 1 . 1374 . A 20 ALA HB1 . 25064 4 95 . 1 1 20 20 ALA HB2 H 1 1.488 0.01 . 1 . 1374 . A 20 ALA HB2 . 25064 4 96 . 1 1 20 20 ALA HB3 H 1 1.488 0.01 . 1 . 1374 . A 20 ALA HB3 . 25064 4 97 . 1 1 20 20 ALA N N 15 120.017 0.001 . 1 . 939 . A 20 ALA N . 25064 4 98 . 1 1 21 21 GLU H H 1 8.052 0.001 . 1 . 908 . A 21 GLU H . 25064 4 99 . 1 1 21 21 GLU HA H 1 3.980 0.01 . 1 . 1430 . A 21 GLU HA . 25064 4 100 . 1 1 21 21 GLU HB2 H 1 2.261 0.01 . 1 . 1387 . A 21 GLU HB2 . 25064 4 101 . 1 1 21 21 GLU HB3 H 1 2.261 0.01 . 1 . 1388 . A 21 GLU HB3 . 25064 4 102 . 1 1 21 21 GLU HG2 H 1 2.404 0.01 . 2 . 1447 . A 21 GLU HG2 . 25064 4 103 . 1 1 21 21 GLU HG3 H 1 1.952 0.01 . 2 . 1448 . A 21 GLU HG3 . 25064 4 104 . 1 1 21 21 GLU N N 15 118.168 0.019 . 1 . 909 . A 21 GLU N . 25064 4 105 . 1 1 22 22 ILE H H 1 8.295 0.001 . 1 . 928 . A 22 ILE H . 25064 4 106 . 1 1 22 22 ILE HA H 1 3.890 0.01 . 1 . 1431 . A 22 ILE HA . 25064 4 107 . 1 1 22 22 ILE HB H 1 2.059 0.01 . 1 . 1432 . A 22 ILE HB . 25064 4 108 . 1 1 22 22 ILE HG12 H 1 1.337 0.01 . 2 . 1454 . A 22 ILE HG12 . 25064 4 109 . 1 1 22 22 ILE HG13 H 1 1.681 0.01 . 2 . 1453 . A 22 ILE HG13 . 25064 4 110 . 1 1 22 22 ILE HG21 H 1 0.990 0.01 . 1 . 1452 . A 22 ILE HG21 . 25064 4 111 . 1 1 22 22 ILE HG22 H 1 0.990 0.01 . 1 . 1452 . A 22 ILE HG22 . 25064 4 112 . 1 1 22 22 ILE HG23 H 1 0.990 0.01 . 1 . 1452 . A 22 ILE HG23 . 25064 4 113 . 1 1 22 22 ILE HD11 H 1 0.790 0.01 . 1 . 1517 . A 22 ILE HD11 . 25064 4 114 . 1 1 22 22 ILE HD12 H 1 0.790 0.01 . 1 . 1517 . A 22 ILE HD12 . 25064 4 115 . 1 1 22 22 ILE HD13 H 1 0.790 0.01 . 1 . 1517 . A 22 ILE HD13 . 25064 4 116 . 1 1 22 22 ILE N N 15 118.484 0.01 . 1 . 929 . A 22 ILE N . 25064 4 117 . 1 1 23 23 LEU H H 1 8.482 0.001 . 1 . 900 . A 23 LEU H . 25064 4 118 . 1 1 23 23 LEU HA H 1 4.119 0.01 . 1 . 1351 . A 23 LEU HA . 25064 4 119 . 1 1 23 23 LEU HB2 H 1 1.364 0.01 . 2 . 1352 . A 23 LEU HB2 . 25064 4 120 . 1 1 23 23 LEU HB3 H 1 1.807 0.01 . 2 . 1353 . A 23 LEU HB3 . 25064 4 121 . 1 1 23 23 LEU HG H 1 1.574 0.01 . 1 . 1465 . A 23 LEU HG . 25064 4 122 . 1 1 23 23 LEU HD11 H 1 0.255 0.01 . 2 . 1466 . A 23 LEU HD11 . 25064 4 123 . 1 1 23 23 LEU HD12 H 1 0.255 0.01 . 2 . 1466 . A 23 LEU HD12 . 25064 4 124 . 1 1 23 23 LEU HD13 H 1 0.255 0.01 . 2 . 1466 . A 23 LEU HD13 . 25064 4 125 . 1 1 23 23 LEU HD21 H 1 0.664 0.01 . 2 . 1467 . A 23 LEU HD21 . 25064 4 126 . 1 1 23 23 LEU HD22 H 1 0.664 0.01 . 2 . 1467 . A 23 LEU HD22 . 25064 4 127 . 1 1 23 23 LEU HD23 H 1 0.664 0.01 . 2 . 1467 . A 23 LEU HD23 . 25064 4 128 . 1 1 23 23 LEU N N 15 116.505 0.016 . 1 . 901 . A 23 LEU N . 25064 4 129 . 1 1 24 24 GLY H H 1 7.851 0.01 . 1 . 872 . A 24 GLY H . 25064 4 130 . 1 1 24 24 GLY HA2 H 1 3.909 0.01 . 1 . 1473 . A 24 GLY HA2 . 25064 4 131 . 1 1 24 24 GLY HA3 H 1 3.909 0.01 . 1 . 1418 . A 24 GLY HA3 . 25064 4 132 . 1 1 24 24 GLY N N 15 108.673 0.10 . 1 . 873 . A 24 GLY N . 25064 4 133 . 1 1 25 25 VAL H H 1 7.367 0.001 . 1 . 880 . A 25 VAL H . 25064 4 134 . 1 1 25 25 VAL HA H 1 4.593 0.01 . 1 . 1449 . A 25 VAL HA . 25064 4 135 . 1 1 25 25 VAL HB H 1 2.133 0.01 . 1 . 1357 . A 25 VAL HB . 25064 4 136 . 1 1 25 25 VAL HG11 H 1 0.860 0.01 . 2 . 1451 . A 25 VAL HG11 . 25064 4 137 . 1 1 25 25 VAL HG12 H 1 0.860 0.01 . 2 . 1451 . A 25 VAL HG12 . 25064 4 138 . 1 1 25 25 VAL HG13 H 1 0.860 0.01 . 2 . 1451 . A 25 VAL HG13 . 25064 4 139 . 1 1 25 25 VAL HG21 H 1 0.703 0.01 . 2 . 1450 . A 25 VAL HG21 . 25064 4 140 . 1 1 25 25 VAL HG22 H 1 0.703 0.01 . 2 . 1450 . A 25 VAL HG22 . 25064 4 141 . 1 1 25 25 VAL HG23 H 1 0.703 0.01 . 2 . 1450 . A 25 VAL HG23 . 25064 4 142 . 1 1 25 25 VAL N N 15 112.454 0.013 . 1 . 881 . A 25 VAL N . 25064 4 143 . 1 1 26 26 GLU H H 1 8.416 0.001 . 1 . 1007 . A 26 GLU H . 25064 4 144 . 1 1 26 26 GLU HA H 1 3.998 0.01 . 1 . 1274 . A 26 GLU HA . 25064 4 145 . 1 1 26 26 GLU HB2 H 1 1.977 0.01 . 1 . 1276 . A 26 GLU HB2 . 25064 4 146 . 1 1 26 26 GLU HB3 H 1 1.977 0.01 . 1 . 1275 . A 26 GLU HB3 . 25064 4 147 . 1 1 26 26 GLU HG2 H 1 2.290 0.01 . 1 . 1518 . A 26 GLU HG2 . 25064 4 148 . 1 1 26 26 GLU N N 15 120.059 0.033 . 1 . 1008 . A 26 GLU N . 25064 4 149 . 1 1 27 27 ARG H H 1 7.719 0.0 . 1 . 884 . A 27 ARG H . 25064 4 150 . 1 1 27 27 ARG HA H 1 4.461 0.01 . 1 . 1315 . A 27 ARG HA . 25064 4 151 . 1 1 27 27 ARG HB2 H 1 1.718 0.01 . 2 . 1317 . A 27 ARG HB2 . 25064 4 152 . 1 1 27 27 ARG HB3 H 1 1.655 0.01 . 2 . 1316 . A 27 ARG HB3 . 25064 4 153 . 1 1 27 27 ARG HG2 H 1 1.489 0.01 . 2 . 1469 . A 27 ARG HG2 . 25064 4 154 . 1 1 27 27 ARG HG3 H 1 1.468 0.01 . 2 . 1468 . A 27 ARG HG3 . 25064 4 155 . 1 1 27 27 ARG N N 15 115.474 0.029 . 1 . 885 . A 27 ARG N . 25064 4 156 . 1 1 28 28 VAL H H 1 8.339 0.001 . 1 . 979 . A 28 VAL H . 25064 4 157 . 1 1 28 28 VAL HA H 1 4.073 0.01 . 1 . 1253 . A 28 VAL HA . 25064 4 158 . 1 1 28 28 VAL HB H 1 2.019 0.01 . 1 . 1254 . A 28 VAL HB . 25064 4 159 . 1 1 28 28 VAL HG11 H 1 1.026 0.01 . 2 . 1479 . A 28 VAL HG11 . 25064 4 160 . 1 1 28 28 VAL HG12 H 1 1.026 0.01 . 2 . 1479 . A 28 VAL HG12 . 25064 4 161 . 1 1 28 28 VAL HG13 H 1 1.026 0.01 . 2 . 1479 . A 28 VAL HG13 . 25064 4 162 . 1 1 28 28 VAL HG21 H 1 0.846 0.024 . 2 . 1480 . A 28 VAL HG21 . 25064 4 163 . 1 1 28 28 VAL HG22 H 1 0.846 0.024 . 2 . 1480 . A 28 VAL HG22 . 25064 4 164 . 1 1 28 28 VAL HG23 H 1 0.846 0.024 . 2 . 1480 . A 28 VAL HG23 . 25064 4 165 . 1 1 28 28 VAL N N 15 123.758 0.048 . 1 . 980 . A 28 VAL N . 25064 4 166 . 1 1 29 29 GLY H H 1 9.184 0.0 . 1 . 1017 . A 29 GLY H . 25064 4 167 . 1 1 29 29 GLY HA2 H 1 3.669 0.01 . 2 . 1378 . A 29 GLY HA2 . 25064 4 168 . 1 1 29 29 GLY HA3 H 1 4.455 0.01 . 2 . 1377 . A 29 GLY HA3 . 25064 4 169 . 1 1 29 29 GLY N N 15 115.346 0.006 . 1 . 1018 . A 29 GLY N . 25064 4 170 . 1 1 30 30 VAL H H 1 8.143 0.001 . 1 . 876 . A 30 VAL H . 25064 4 171 . 1 1 30 30 VAL HA H 1 3.574 0.01 . 1 . 1358 . A 30 VAL HA . 25064 4 172 . 1 1 30 30 VAL HB H 1 2.005 0.01 . 1 . 1359 . A 30 VAL HB . 25064 4 173 . 1 1 30 30 VAL HG11 H 1 0.820 0.01 . 1 . 1445 . A 30 VAL HG11 . 25064 4 174 . 1 1 30 30 VAL HG12 H 1 0.820 0.01 . 1 . 1445 . A 30 VAL HG12 . 25064 4 175 . 1 1 30 30 VAL HG13 H 1 0.820 0.01 . 1 . 1445 . A 30 VAL HG13 . 25064 4 176 . 1 1 30 30 VAL HG21 H 1 0.820 0.01 . 1 . 1446 . A 30 VAL HG21 . 25064 4 177 . 1 1 30 30 VAL HG22 H 1 0.820 0.01 . 1 . 1446 . A 30 VAL HG22 . 25064 4 178 . 1 1 30 30 VAL HG23 H 1 0.820 0.01 . 1 . 1446 . A 30 VAL HG23 . 25064 4 179 . 1 1 30 30 VAL N N 15 112.020 0.013 . 1 . 877 . A 30 VAL N . 25064 4 180 . 1 1 31 31 ASP H H 1 8.139 0.001 . 1 . 892 . A 31 ASP H . 25064 4 181 . 1 1 31 31 ASP HA H 1 5.035 0.01 . 1 . 1323 . A 31 ASP HA . 25064 4 182 . 1 1 31 31 ASP HB2 H 1 2.948 0.01 . 2 . 1324 . A 31 ASP HB2 . 25064 4 183 . 1 1 31 31 ASP HB3 H 1 2.474 0.01 . 2 . 1325 . A 31 ASP HB3 . 25064 4 184 . 1 1 31 31 ASP N N 15 116.073 0.021 . 1 . 893 . A 31 ASP N . 25064 4 185 . 1 1 32 32 ASP H H 1 7.286 0.001 . 1 . 971 . A 32 ASP H . 25064 4 186 . 1 1 32 32 ASP HA H 1 4.610 0.01 . 1 . 1433 . A 32 ASP HA . 25064 4 187 . 1 1 32 32 ASP HB2 H 1 2.419 0.01 . 2 . 1339 . A 32 ASP HB2 . 25064 4 188 . 1 1 32 32 ASP HB3 H 1 2.938 0.01 . 2 . 1435 . A 32 ASP HB3 . 25064 4 189 . 1 1 32 32 ASP N N 15 122.708 0.007 . 1 . 972 . A 32 ASP N . 25064 4 190 . 1 1 33 33 ALA H H 1 8.814 0.001 . 1 . 989 . A 33 ALA H . 25064 4 191 . 1 1 33 33 ALA HA H 1 4.035 0.01 . 1 . 1300 . A 33 ALA HA . 25064 4 192 . 1 1 33 33 ALA HB1 H 1 1.330 0.01 . 1 . 1301 . A 33 ALA HB1 . 25064 4 193 . 1 1 33 33 ALA HB2 H 1 1.330 0.01 . 1 . 1301 . A 33 ALA HB2 . 25064 4 194 . 1 1 33 33 ALA HB3 H 1 1.330 0.01 . 1 . 1301 . A 33 ALA HB3 . 25064 4 195 . 1 1 33 33 ALA N N 15 123.419 0.054 . 1 . 990 . A 33 ALA N . 25064 4 196 . 1 1 34 34 PHE H H 1 8.390 0.001 . 1 . 948 . A 34 PHE H . 25064 4 197 . 1 1 34 34 PHE HA H 1 3.970 0.01 . 1 . 1263 . A 34 PHE HA . 25064 4 198 . 1 1 34 34 PHE HB2 H 1 3.257 0.01 . 2 . 1264 . A 34 PHE HB2 . 25064 4 199 . 1 1 34 34 PHE HB3 H 1 2.833 0.01 . 2 . 1265 . A 34 PHE HB3 . 25064 4 200 . 1 1 34 34 PHE HD1 H 1 6.579 0.01 . 3 . 1700 . A 34 PHE HD1 . 25064 4 201 . 1 1 34 34 PHE HD2 H 1 6.579 0.01 . 3 . 1700 . A 34 PHE HD2 . 25064 4 202 . 1 1 34 34 PHE HZ H 1 6.883 0.01 . 1 . 1812 . A 34 PHE HZ . 25064 4 203 . 1 1 34 34 PHE N N 15 121.124 0.016 . 1 . 949 . A 34 PHE N . 25064 4 204 . 1 1 35 35 HIS H H 1 8.186 0.01 . 1 . 1850 . A 35 HIS H . 25064 4 205 . 1 1 35 35 HIS N N 15 113.891 0.10 . 1 . 1849 . A 35 HIS N . 25064 4 206 . 1 1 36 36 ASP H H 1 6.870 0.01 . 1 . 1854 . A 36 ASP H . 25064 4 207 . 1 1 36 36 ASP HA H 1 4.520 0.01 . 1 . 1330 . A 36 ASP HA . 25064 4 208 . 1 1 36 36 ASP HB2 H 1 2.709 0.01 . 1 . 1331 . A 36 ASP HB2 . 25064 4 209 . 1 1 36 36 ASP HB3 H 1 2.709 0.01 . 1 . 1476 . A 36 ASP HB3 . 25064 4 210 . 1 1 37 37 LEU H H 1 7.117 0.004 . 1 . 1001 . A 37 LEU H . 25064 4 211 . 1 1 37 37 LEU HA H 1 4.351 0.01 . 1 . 1294 . A 37 LEU HA . 25064 4 212 . 1 1 37 37 LEU HB2 H 1 1.755 0.01 . 2 . 1296 . A 37 LEU HB2 . 25064 4 213 . 1 1 37 37 LEU HB3 H 1 1.562 0.01 . 2 . 1295 . A 37 LEU HB3 . 25064 4 214 . 1 1 37 37 LEU HG H 1 1.692 0.01 . 1 . 1474 . A 37 LEU HG . 25064 4 215 . 1 1 37 37 LEU HD11 H 1 0.902 0.01 . 2 . 1744 . A 37 LEU HD11 . 25064 4 216 . 1 1 37 37 LEU HD12 H 1 0.902 0.01 . 2 . 1744 . A 37 LEU HD12 . 25064 4 217 . 1 1 37 37 LEU HD13 H 1 0.902 0.01 . 2 . 1744 . A 37 LEU HD13 . 25064 4 218 . 1 1 37 37 LEU HD21 H 1 0.899 0.01 . 2 . 1475 . A 37 LEU HD21 . 25064 4 219 . 1 1 37 37 LEU HD22 H 1 0.899 0.01 . 2 . 1475 . A 37 LEU HD22 . 25064 4 220 . 1 1 37 37 LEU HD23 H 1 0.899 0.01 . 2 . 1475 . A 37 LEU HD23 . 25064 4 221 . 1 1 37 37 LEU N N 15 119.054 0.046 . 1 . 1002 . A 37 LEU N . 25064 4 222 . 1 1 38 38 GLY H H 1 7.496 0.0 . 1 . 867 . A 38 GLY H . 25064 4 223 . 1 1 38 38 GLY HA2 H 1 3.648 0.01 . 2 . 1291 . A 38 GLY HA2 . 25064 4 224 . 1 1 38 38 GLY HA3 H 1 4.138 0.01 . 2 . 1434 . A 38 GLY HA3 . 25064 4 225 . 1 1 38 38 GLY N N 15 104.907 0.016 . 1 . 866 . A 38 GLY N . 25064 4 226 . 1 1 39 39 GLY H H 1 7.636 0.003 . 1 . 869 . A 39 GLY H . 25064 4 227 . 1 1 39 39 GLY HA2 H 1 2.237 0.01 . 2 . 1569 . A 39 GLY HA2 . 25064 4 228 . 1 1 39 39 GLY HA3 H 1 3.074 0.01 . 2 . 1519 . A 39 GLY HA3 . 25064 4 229 . 1 1 39 39 GLY N N 15 107.221 0.017 . 1 . 868 . A 39 GLY N . 25064 4 230 . 1 1 40 40 SER H H 1 6.865 0.01 . 1 . 1012 . A 40 SER H . 25064 4 231 . 1 1 40 40 SER N N 15 116.728 0.10 . 1 . 1011 . A 40 SER N . 25064 4 232 . 1 1 41 41 SER HA H 1 4.796 0.01 . 1 . 1870 . A 41 SER HA . 25064 4 233 . 1 1 41 41 SER HB2 H 1 4.322 0.01 . 1 . 1869 . A 41 SER HB2 . 25064 4 234 . 1 1 42 42 ALA HB1 H 1 1.443 0.01 . 1 . 1284 . A 42 ALA HB1 . 25064 4 235 . 1 1 42 42 ALA HB2 H 1 1.443 0.01 . 1 . 1284 . A 42 ALA HB2 . 25064 4 236 . 1 1 42 42 ALA HB3 H 1 1.443 0.01 . 1 . 1284 . A 42 ALA HB3 . 25064 4 237 . 1 1 43 43 LEU H H 1 7.794 0.0 . 1 . 922 . A 43 LEU H . 25064 4 238 . 1 1 43 43 LEU HA H 1 4.147 0.01 . 1 . 1348 . A 43 LEU HA . 25064 4 239 . 1 1 43 43 LEU HB2 H 1 1.443 0.01 . 2 . 1350 . A 43 LEU HB2 . 25064 4 240 . 1 1 43 43 LEU HB3 H 1 1.760 0.01 . 2 . 1349 . A 43 LEU HB3 . 25064 4 241 . 1 1 43 43 LEU HG H 1 1.770 0.01 . 1 . 1834 . A 43 LEU HG . 25064 4 242 . 1 1 43 43 LEU HD11 H 1 0.929 0.01 . 1 . 1749 . A 43 LEU HD11 . 25064 4 243 . 1 1 43 43 LEU HD12 H 1 0.929 0.01 . 1 . 1749 . A 43 LEU HD12 . 25064 4 244 . 1 1 43 43 LEU HD13 H 1 0.929 0.01 . 1 . 1749 . A 43 LEU HD13 . 25064 4 245 . 1 1 43 43 LEU HD21 H 1 0.929 0.01 . 1 . 1750 . A 43 LEU HD21 . 25064 4 246 . 1 1 43 43 LEU HD22 H 1 0.929 0.01 . 1 . 1750 . A 43 LEU HD22 . 25064 4 247 . 1 1 43 43 LEU HD23 H 1 0.929 0.01 . 1 . 1750 . A 43 LEU HD23 . 25064 4 248 . 1 1 43 43 LEU N N 15 118.525 0.012 . 1 . 923 . A 43 LEU N . 25064 4 249 . 1 1 44 44 ALA H H 1 8.802 0.001 . 1 . 991 . A 44 ALA H . 25064 4 250 . 1 1 44 44 ALA HA H 1 3.598 0.01 . 1 . 1261 . A 44 ALA HA . 25064 4 251 . 1 1 44 44 ALA HB1 H 1 1.438 0.01 . 1 . 1262 . A 44 ALA HB1 . 25064 4 252 . 1 1 44 44 ALA HB2 H 1 1.438 0.01 . 1 . 1262 . A 44 ALA HB2 . 25064 4 253 . 1 1 44 44 ALA HB3 H 1 1.438 0.01 . 1 . 1262 . A 44 ALA HB3 . 25064 4 254 . 1 1 44 44 ALA N N 15 123.546 0.007 . 1 . 992 . A 44 ALA N . 25064 4 255 . 1 1 45 45 MET H H 1 7.733 0.001 . 1 . 888 . A 45 MET H . 25064 4 256 . 1 1 45 45 MET HA H 1 4.162 0.01 . 1 . 1367 . A 45 MET HA . 25064 4 257 . 1 1 45 45 MET HB2 H 1 2.120 0.01 . 2 . 1436 . A 45 MET HB2 . 25064 4 258 . 1 1 45 45 MET HB3 H 1 2.223 0.01 . 2 . 1369 . A 45 MET HB3 . 25064 4 259 . 1 1 45 45 MET HG2 H 1 2.785 0.01 . 2 . 1368 . A 45 MET HG2 . 25064 4 260 . 1 1 45 45 MET HG3 H 1 2.687 0.01 . 2 . 1472 . A 45 MET HG3 . 25064 4 261 . 1 1 45 45 MET HE1 H 1 2.120 0.01 . 1 . 1752 . A 45 MET HE1 . 25064 4 262 . 1 1 45 45 MET HE2 H 1 2.120 0.01 . 1 . 1752 . A 45 MET HE2 . 25064 4 263 . 1 1 45 45 MET HE3 H 1 2.120 0.01 . 1 . 1752 . A 45 MET HE3 . 25064 4 264 . 1 1 45 45 MET N N 15 114.876 0.023 . 1 . 889 . A 45 MET N . 25064 4 265 . 1 1 46 46 ARG H H 1 7.286 0.001 . 1 . 1005 . A 46 ARG H . 25064 4 266 . 1 1 46 46 ARG HA H 1 4.162 0.01 . 1 . 1819 . A 46 ARG HA . 25064 4 267 . 1 1 46 46 ARG HB2 H 1 2.024 0.01 . 1 . 1391 . A 46 ARG HB2 . 25064 4 268 . 1 1 46 46 ARG HB3 H 1 2.024 0.01 . 1 . 1392 . A 46 ARG HB3 . 25064 4 269 . 1 1 46 46 ARG HG2 H 1 1.719 0.01 . 2 . 1756 . A 46 ARG HG2 . 25064 4 270 . 1 1 46 46 ARG HG3 H 1 1.842 0.01 . 2 . 1478 . A 46 ARG HG3 . 25064 4 271 . 1 1 46 46 ARG HD2 H 1 3.281 0.01 . 1 . 1754 . A 46 ARG HD2 . 25064 4 272 . 1 1 46 46 ARG N N 15 120.157 0.021 . 1 . 1006 . A 46 ARG N . 25064 4 273 . 1 1 47 47 LEU H H 1 8.242 0.001 . 1 . 961 . A 47 LEU H . 25064 4 274 . 1 1 47 47 LEU HA H 1 3.878 0.01 . 1 . 1398 . A 47 LEU HA . 25064 4 275 . 1 1 47 47 LEU HB2 H 1 1.894 0.01 . 2 . 1399 . A 47 LEU HB2 . 25064 4 276 . 1 1 47 47 LEU HB3 H 1 1.209 0.01 . 2 . 1400 . A 47 LEU HB3 . 25064 4 277 . 1 1 47 47 LEU HG H 1 1.289 0.01 . 1 . 1692 . A 47 LEU HG . 25064 4 278 . 1 1 47 47 LEU HD11 H 1 0.165 0.01 . 2 . 1484 . A 47 LEU HD11 . 25064 4 279 . 1 1 47 47 LEU HD12 H 1 0.165 0.01 . 2 . 1484 . A 47 LEU HD12 . 25064 4 280 . 1 1 47 47 LEU HD13 H 1 0.165 0.01 . 2 . 1484 . A 47 LEU HD13 . 25064 4 281 . 1 1 47 47 LEU HD21 H 1 0.763 0.01 . 2 . 1693 . A 47 LEU HD21 . 25064 4 282 . 1 1 47 47 LEU HD22 H 1 0.763 0.01 . 2 . 1693 . A 47 LEU HD22 . 25064 4 283 . 1 1 47 47 LEU HD23 H 1 0.763 0.01 . 2 . 1693 . A 47 LEU HD23 . 25064 4 284 . 1 1 47 47 LEU N N 15 121.213 0.025 . 1 . 962 . A 47 LEU N . 25064 4 285 . 1 1 48 48 ILE H H 1 8.473 0.001 . 1 . 934 . A 48 ILE H . 25064 4 286 . 1 1 48 48 ILE HA H 1 3.559 0.01 . 1 . 1407 . A 48 ILE HA . 25064 4 287 . 1 1 48 48 ILE HB H 1 2.010 0.01 . 1 . 1408 . A 48 ILE HB . 25064 4 288 . 1 1 48 48 ILE HG12 H 1 1.285 0.01 . 2 . 1508 . A 48 ILE HG12 . 25064 4 289 . 1 1 48 48 ILE HG13 H 1 1.494 0.01 . 2 . 1758 . A 48 ILE HG13 . 25064 4 290 . 1 1 48 48 ILE HG21 H 1 1.000 0.01 . 1 . 1507 . A 48 ILE HG21 . 25064 4 291 . 1 1 48 48 ILE HG22 H 1 1.000 0.01 . 1 . 1507 . A 48 ILE HG22 . 25064 4 292 . 1 1 48 48 ILE HG23 H 1 1.000 0.01 . 1 . 1507 . A 48 ILE HG23 . 25064 4 293 . 1 1 48 48 ILE HD11 H 1 0.703 0.01 . 1 . 1506 . A 48 ILE HD11 . 25064 4 294 . 1 1 48 48 ILE HD12 H 1 0.703 0.01 . 1 . 1506 . A 48 ILE HD12 . 25064 4 295 . 1 1 48 48 ILE HD13 H 1 0.703 0.01 . 1 . 1506 . A 48 ILE HD13 . 25064 4 296 . 1 1 48 48 ILE N N 15 118.829 0.052 . 1 . 935 . A 48 ILE N . 25064 4 297 . 1 1 49 49 ALA H H 1 7.633 0.0 . 1 . 981 . A 49 ALA H . 25064 4 298 . 1 1 49 49 ALA HA H 1 4.182 0.01 . 1 . 1335 . A 49 ALA HA . 25064 4 299 . 1 1 49 49 ALA HB1 H 1 1.548 0.01 . 1 . 1336 . A 49 ALA HB1 . 25064 4 300 . 1 1 49 49 ALA HB2 H 1 1.548 0.01 . 1 . 1336 . A 49 ALA HB2 . 25064 4 301 . 1 1 49 49 ALA HB3 H 1 1.548 0.01 . 1 . 1336 . A 49 ALA HB3 . 25064 4 302 . 1 1 49 49 ALA N N 15 123.861 0.006 . 1 . 982 . A 49 ALA N . 25064 4 303 . 1 1 50 50 ARG H H 1 8.022 0.002 . 1 . 924 . A 50 ARG H . 25064 4 304 . 1 1 50 50 ARG HA H 1 4.222 0.01 . 1 . 1414 . A 50 ARG HA . 25064 4 305 . 1 1 50 50 ARG HB2 H 1 2.013 0.01 . 2 . 1493 . A 50 ARG HB2 . 25064 4 306 . 1 1 50 50 ARG HB3 H 1 1.906 0.01 . 2 . 1492 . A 50 ARG HB3 . 25064 4 307 . 1 1 50 50 ARG HD2 H 1 3.463 0.01 . 2 . 1710 . A 50 ARG HD2 . 25064 4 308 . 1 1 50 50 ARG HD3 H 1 3.110 0.01 . 2 . 1711 . A 50 ARG HD3 . 25064 4 309 . 1 1 50 50 ARG N N 15 118.738 0.035 . 1 . 925 . A 50 ARG N . 25064 4 310 . 1 1 51 51 ILE H H 1 8.842 0.002 . 1 . 950 . A 51 ILE H . 25064 4 311 . 1 1 51 51 ILE HA H 1 3.362 0.01 . 1 . 1383 . A 51 ILE HA . 25064 4 312 . 1 1 51 51 ILE HB H 1 1.957 0.054 . 1 . 1382 . A 51 ILE HB . 25064 4 313 . 1 1 51 51 ILE HG12 H 1 0.648 0.01 . 2 . 1505 . A 51 ILE HG12 . 25064 4 314 . 1 1 51 51 ILE HG13 H 1 1.903 0.01 . 2 . 1504 . A 51 ILE HG13 . 25064 4 315 . 1 1 51 51 ILE HG21 H 1 0.827 0.01 . 1 . 1503 . A 51 ILE HG21 . 25064 4 316 . 1 1 51 51 ILE HG22 H 1 0.827 0.01 . 1 . 1503 . A 51 ILE HG22 . 25064 4 317 . 1 1 51 51 ILE HG23 H 1 0.827 0.01 . 1 . 1503 . A 51 ILE HG23 . 25064 4 318 . 1 1 51 51 ILE HD11 H 1 0.648 0.01 . 1 . 1502 . A 51 ILE HD11 . 25064 4 319 . 1 1 51 51 ILE HD12 H 1 0.648 0.01 . 1 . 1502 . A 51 ILE HD12 . 25064 4 320 . 1 1 51 51 ILE HD13 H 1 0.648 0.01 . 1 . 1502 . A 51 ILE HD13 . 25064 4 321 . 1 1 51 51 ILE N N 15 121.144 0.035 . 1 . 951 . A 51 ILE N . 25064 4 322 . 1 1 52 52 ARG H H 1 7.828 0.002 . 1 . 942 . A 52 ARG H . 25064 4 323 . 1 1 52 52 ARG HA H 1 4.060 0.01 . 1 . 1360 . A 52 ARG HA . 25064 4 324 . 1 1 52 52 ARG HB2 H 1 1.927 0.01 . 2 . 1437 . A 52 ARG HB2 . 25064 4 325 . 1 1 52 52 ARG HB3 H 1 2.011 0.01 . 2 . 1361 . A 52 ARG HB3 . 25064 4 326 . 1 1 52 52 ARG HG2 H 1 1.496 0.01 . 1 . 1482 . A 52 ARG HG2 . 25064 4 327 . 1 1 52 52 ARG HG3 H 1 1.496 0.01 . 1 . 1483 . A 52 ARG HG3 . 25064 4 328 . 1 1 52 52 ARG HD2 H 1 3.050 0.01 . 1 . 1481 . A 52 ARG HD2 . 25064 4 329 . 1 1 52 52 ARG N N 15 121.295 0.062 . 1 . 943 . A 52 ARG N . 25064 4 330 . 1 1 53 53 GLU H H 1 7.862 0.001 . 1 . 918 . A 53 GLU H . 25064 4 331 . 1 1 53 53 GLU HA H 1 3.956 0.01 . 1 . 1393 . A 53 GLU HA . 25064 4 332 . 1 1 53 53 GLU HB2 H 1 2.254 0.01 . 2 . 1395 . A 53 GLU HB2 . 25064 4 333 . 1 1 53 53 GLU HB3 H 1 2.041 0.01 . 2 . 1394 . A 53 GLU HB3 . 25064 4 334 . 1 1 53 53 GLU HG2 H 1 2.254 0.01 . 2 . 1485 . A 53 GLU HG2 . 25064 4 335 . 1 1 53 53 GLU HG3 H 1 2.509 0.01 . 2 . 1712 . A 53 GLU HG3 . 25064 4 336 . 1 1 53 53 GLU N N 15 118.954 0.007 . 1 . 919 . A 53 GLU N . 25064 4 337 . 1 1 54 54 GLU H H 1 8.513 0.001 . 1 . 896 . A 54 GLU H . 25064 4 338 . 1 1 54 54 GLU HA H 1 4.344 0.01 . 1 . 1307 . A 54 GLU HA . 25064 4 339 . 1 1 54 54 GLU HB2 H 1 2.129 0.01 . 2 . 1309 . A 54 GLU HB2 . 25064 4 340 . 1 1 54 54 GLU HB3 H 1 1.772 0.01 . 2 . 1308 . A 54 GLU HB3 . 25064 4 341 . 1 1 54 54 GLU HG2 H 1 2.549 0.01 . 2 . 1490 . A 54 GLU HG2 . 25064 4 342 . 1 1 54 54 GLU HG3 H 1 2.319 0.01 . 2 . 1491 . A 54 GLU HG3 . 25064 4 343 . 1 1 54 54 GLU N N 15 114.503 0.03 . 1 . 897 . A 54 GLU N . 25064 4 344 . 1 1 55 55 LEU H H 1 8.627 0.002 . 1 . 898 . A 55 LEU H . 25064 4 345 . 1 1 55 55 LEU HA H 1 4.673 0.01 . 1 . 1332 . A 55 LEU HA . 25064 4 346 . 1 1 55 55 LEU HB2 H 1 1.591 0.01 . 2 . 1333 . A 55 LEU HB2 . 25064 4 347 . 1 1 55 55 LEU HB3 H 1 1.933 0.01 . 2 . 1334 . A 55 LEU HB3 . 25064 4 348 . 1 1 55 55 LEU HG H 1 1.500 0.01 . 1 . 1704 . A 55 LEU HG . 25064 4 349 . 1 1 55 55 LEU HD11 H 1 0.929 0.01 . 2 . 1702 . A 55 LEU HD11 . 25064 4 350 . 1 1 55 55 LEU HD12 H 1 0.929 0.01 . 2 . 1702 . A 55 LEU HD12 . 25064 4 351 . 1 1 55 55 LEU HD13 H 1 0.929 0.01 . 2 . 1702 . A 55 LEU HD13 . 25064 4 352 . 1 1 55 55 LEU HD21 H 1 0.822 0.01 . 2 . 1703 . A 55 LEU HD21 . 25064 4 353 . 1 1 55 55 LEU HD22 H 1 0.822 0.01 . 2 . 1703 . A 55 LEU HD22 . 25064 4 354 . 1 1 55 55 LEU HD23 H 1 0.822 0.01 . 2 . 1703 . A 55 LEU HD23 . 25064 4 355 . 1 1 55 55 LEU N N 15 115.669 0.013 . 1 . 899 . A 55 LEU N . 25064 4 356 . 1 1 56 56 GLY H H 1 7.702 0.01 . 1 . 871 . A 56 GLY H . 25064 4 357 . 1 1 56 56 GLY HA2 H 1 3.946 0.01 . 1 . 1698 . A 56 GLY HA2 . 25064 4 358 . 1 1 56 56 GLY HA3 H 1 3.946 0.01 . 1 . 1280 . A 56 GLY HA3 . 25064 4 359 . 1 1 56 56 GLY N N 15 107.969 0.10 . 1 . 870 . A 56 GLY N . 25064 4 360 . 1 1 57 57 VAL H H 1 6.525 0.0 . 1 . 1013 . A 57 VAL H . 25064 4 361 . 1 1 57 57 VAL HA H 1 4.403 0.01 . 1 . 1328 . A 57 VAL HA . 25064 4 362 . 1 1 57 57 VAL HB H 1 1.667 0.01 . 1 . 1329 . A 57 VAL HB . 25064 4 363 . 1 1 57 57 VAL HG11 H 1 0.757 0.01 . 2 . 1462 . A 57 VAL HG11 . 25064 4 364 . 1 1 57 57 VAL HG12 H 1 0.757 0.01 . 2 . 1462 . A 57 VAL HG12 . 25064 4 365 . 1 1 57 57 VAL HG13 H 1 0.757 0.01 . 2 . 1462 . A 57 VAL HG13 . 25064 4 366 . 1 1 57 57 VAL HG21 H 1 0.734 0.01 . 2 . 1705 . A 57 VAL HG21 . 25064 4 367 . 1 1 57 57 VAL HG22 H 1 0.734 0.01 . 2 . 1705 . A 57 VAL HG22 . 25064 4 368 . 1 1 57 57 VAL HG23 H 1 0.734 0.01 . 2 . 1705 . A 57 VAL HG23 . 25064 4 369 . 1 1 57 57 VAL N N 15 113.303 0.006 . 1 . 1014 . A 57 VAL N . 25064 4 370 . 1 1 58 58 ASP H H 1 8.558 0.001 . 1 . 983 . A 58 ASP H . 25064 4 371 . 1 1 58 58 ASP HA H 1 4.674 0.01 . 1 . 1277 . A 58 ASP HA . 25064 4 372 . 1 1 58 58 ASP HB2 H 1 2.398 0.01 . 2 . 1279 . A 58 ASP HB2 . 25064 4 373 . 1 1 58 58 ASP HB3 H 1 2.546 0.01 . 2 . 1278 . A 58 ASP HB3 . 25064 4 374 . 1 1 58 58 ASP N N 15 124.650 0.015 . 1 . 984 . A 58 ASP N . 25064 4 375 . 1 1 59 59 LEU H H 1 8.419 0.002 . 1 . 997 . A 59 LEU H . 25064 4 376 . 1 1 59 59 LEU HA H 1 4.513 0.01 . 1 . 1455 . A 59 LEU HA . 25064 4 377 . 1 1 59 59 LEU HB2 H 1 1.039 0.01 . 2 . 1459 . A 59 LEU HB2 . 25064 4 378 . 1 1 59 59 LEU HB3 H 1 1.727 0.01 . 2 . 1458 . A 59 LEU HB3 . 25064 4 379 . 1 1 59 59 LEU HG H 1 1.373 0.01 . 1 . 1707 . A 59 LEU HG . 25064 4 380 . 1 1 59 59 LEU HD11 H 1 0.673 0.01 . 2 . 1456 . A 59 LEU HD11 . 25064 4 381 . 1 1 59 59 LEU HD12 H 1 0.673 0.01 . 2 . 1456 . A 59 LEU HD12 . 25064 4 382 . 1 1 59 59 LEU HD13 H 1 0.673 0.01 . 2 . 1456 . A 59 LEU HD13 . 25064 4 383 . 1 1 59 59 LEU HD21 H 1 0.648 0.01 . 2 . 1457 . A 59 LEU HD21 . 25064 4 384 . 1 1 59 59 LEU HD22 H 1 0.648 0.01 . 2 . 1457 . A 59 LEU HD22 . 25064 4 385 . 1 1 59 59 LEU HD23 H 1 0.648 0.01 . 2 . 1457 . A 59 LEU HD23 . 25064 4 386 . 1 1 59 59 LEU N N 15 127.500 0.06 . 1 . 998 . A 59 LEU N . 25064 4 387 . 1 1 60 60 PRO HA H 1 4.375 0.01 . 1 . 1427 . A 60 PRO HA . 25064 4 388 . 1 1 60 60 PRO HB2 H 1 2.403 0.01 . 2 . 1428 . A 60 PRO HB2 . 25064 4 389 . 1 1 60 60 PRO HB3 H 1 1.758 0.01 . 2 . 1429 . A 60 PRO HB3 . 25064 4 390 . 1 1 60 60 PRO HD3 H 1 3.845 0.01 . 1 . 1713 . A 60 PRO HD3 . 25064 4 391 . 1 1 61 61 ILE H H 1 8.683 0.005 . 1 . 993 . A 61 ILE H . 25064 4 392 . 1 1 61 61 ILE HA H 1 3.603 0.01 . 1 . 1440 . A 61 ILE HA . 25064 4 393 . 1 1 61 61 ILE HB H 1 1.718 0.01 . 1 . 1426 . A 61 ILE HB . 25064 4 394 . 1 1 61 61 ILE HG12 H 1 0.974 0.01 . 2 . 1759 . A 61 ILE HG12 . 25064 4 395 . 1 1 61 61 ILE HG13 H 1 1.203 0.01 . 2 . 1715 . A 61 ILE HG13 . 25064 4 396 . 1 1 61 61 ILE HG21 H 1 0.860 0.01 . 1 . 1471 . A 61 ILE HG21 . 25064 4 397 . 1 1 61 61 ILE HG22 H 1 0.860 0.01 . 1 . 1471 . A 61 ILE HG22 . 25064 4 398 . 1 1 61 61 ILE HG23 H 1 0.860 0.01 . 1 . 1471 . A 61 ILE HG23 . 25064 4 399 . 1 1 61 61 ILE HD11 H 1 0.860 0.01 . 1 . 1470 . A 61 ILE HD11 . 25064 4 400 . 1 1 61 61 ILE HD12 H 1 0.860 0.01 . 1 . 1470 . A 61 ILE HD12 . 25064 4 401 . 1 1 61 61 ILE HD13 H 1 0.860 0.01 . 1 . 1470 . A 61 ILE HD13 . 25064 4 402 . 1 1 61 61 ILE N N 15 126.306 0.082 . 1 . 994 . A 61 ILE N . 25064 4 403 . 1 1 62 62 ARG H H 1 8.320 0.001 . 1 . 932 . A 62 ARG H . 25064 4 404 . 1 1 62 62 ARG HA H 1 4.051 0.01 . 1 . 1438 . A 62 ARG HA . 25064 4 405 . 1 1 62 62 ARG HB2 H 1 1.611 0.01 . 2 . 1439 . A 62 ARG HB2 . 25064 4 406 . 1 1 62 62 ARG HB3 H 1 1.758 0.01 . 2 . 1342 . A 62 ARG HB3 . 25064 4 407 . 1 1 62 62 ARG HG2 H 1 1.611 0.01 . 1 . 1761 . A 62 ARG HG2 . 25064 4 408 . 1 1 62 62 ARG HG3 H 1 1.611 0.01 . 1 . 1760 . A 62 ARG HG3 . 25064 4 409 . 1 1 62 62 ARG HD2 H 1 3.140 0.01 . 1 . 1717 . A 62 ARG HD2 . 25064 4 410 . 1 1 62 62 ARG HD3 H 1 3.140 0.01 . 1 . 1718 . A 62 ARG HD3 . 25064 4 411 . 1 1 62 62 ARG N N 15 118.155 0.02 . 1 . 933 . A 62 ARG N . 25064 4 412 . 1 1 63 63 GLN H H 1 7.471 0.001 . 1 . 914 . A 63 GLN H . 25064 4 413 . 1 1 63 63 GLN HA H 1 4.025 0.01 . 1 . 1310 . A 63 GLN HA . 25064 4 414 . 1 1 63 63 GLN HB2 H 1 1.941 0.01 . 2 . 1312 . A 63 GLN HB2 . 25064 4 415 . 1 1 63 63 GLN HB3 H 1 2.071 0.01 . 2 . 1311 . A 63 GLN HB3 . 25064 4 416 . 1 1 63 63 GLN HG2 H 1 2.162 0.014 . 1 . 1716 . A 63 GLN HG2 . 25064 4 417 . 1 1 63 63 GLN HG3 H 1 2.162 0.014 . 1 . 1763 . A 63 GLN HG3 . 25064 4 418 . 1 1 63 63 GLN HE21 H 1 7.740 0.01 . 1 . 1873 . A 63 GLN HE21 . 25064 4 419 . 1 1 63 63 GLN HE22 H 1 7.072 0.001 . 1 . 1872 . A 63 GLN HE22 . 25064 4 420 . 1 1 63 63 GLN N N 15 118.017 0.032 . 1 . 915 . A 63 GLN N . 25064 4 421 . 1 1 63 63 GLN NE2 N 15 114.605 0.01 . 1 . 1871 . A 63 GLN NE2 . 25064 4 422 . 1 1 64 64 LEU H H 1 7.232 0.0 . 1 . 1003 . A 64 LEU H . 25064 4 423 . 1 1 64 64 LEU HA H 1 3.845 0.01 . 1 . 1286 . A 64 LEU HA . 25064 4 424 . 1 1 64 64 LEU HB2 H 1 1.592 0.01 . 2 . 1288 . A 64 LEU HB2 . 25064 4 425 . 1 1 64 64 LEU HB3 H 1 1.058 0.01 . 2 . 1287 . A 64 LEU HB3 . 25064 4 426 . 1 1 64 64 LEU HG H 1 1.058 0.01 . 1 . 1477 . A 64 LEU HG . 25064 4 427 . 1 1 64 64 LEU HD11 H 1 0.178 0.01 . 1 . 1765 . A 64 LEU HD11 . 25064 4 428 . 1 1 64 64 LEU HD12 H 1 0.178 0.01 . 1 . 1765 . A 64 LEU HD12 . 25064 4 429 . 1 1 64 64 LEU HD13 H 1 0.178 0.01 . 1 . 1765 . A 64 LEU HD13 . 25064 4 430 . 1 1 64 64 LEU N N 15 119.771 0.06 . 1 . 1004 . A 64 LEU N . 25064 4 431 . 1 1 65 65 PHE H H 1 7.405 0.002 . 1 . 878 . A 65 PHE H . 25064 4 432 . 1 1 65 65 PHE HA H 1 4.358 0.01 . 1 . 1441 . A 65 PHE HA . 25064 4 433 . 1 1 65 65 PHE HB2 H 1 2.947 0.01 . 2 . 1268 . A 65 PHE HB2 . 25064 4 434 . 1 1 65 65 PHE HB3 H 1 3.199 0.01 . 2 . 1269 . A 65 PHE HB3 . 25064 4 435 . 1 1 65 65 PHE HD1 H 1 7.096 0.01 . 3 . 1810 . A 65 PHE HD1 . 25064 4 436 . 1 1 65 65 PHE HD2 H 1 7.096 0.01 . 3 . 1810 . A 65 PHE HD2 . 25064 4 437 . 1 1 65 65 PHE N N 15 112.397 0.017 . 1 . 879 . A 65 PHE N . 25064 4 438 . 1 1 66 66 SER H H 1 7.648 0.001 . 1 . 882 . A 66 SER H . 25064 4 439 . 1 1 66 66 SER HA H 1 4.362 0.01 . 1 . 1258 . A 66 SER HA . 25064 4 440 . 1 1 66 66 SER HB2 H 1 3.950 0.01 . 1 . 1259 . A 66 SER HB2 . 25064 4 441 . 1 1 66 66 SER HB3 H 1 3.950 0.01 . 1 . 1260 . A 66 SER HB3 . 25064 4 442 . 1 1 66 66 SER N N 15 113.908 0.01 . 1 . 883 . A 66 SER N . 25064 4 443 . 1 1 67 67 SER H H 1 7.737 0.008 . 1 . 886 . A 67 SER H . 25064 4 444 . 1 1 67 67 SER HA H 1 4.798 0.01 . 1 . 1840 . A 67 SER HA . 25064 4 445 . 1 1 67 67 SER HB2 H 1 3.810 0.01 . 2 . 1766 . A 67 SER HB2 . 25064 4 446 . 1 1 67 67 SER HB3 H 1 3.650 0.01 . 2 . 1767 . A 67 SER HB3 . 25064 4 447 . 1 1 67 67 SER N N 15 115.338 0.042 . 1 . 887 . A 67 SER N . 25064 4 448 . 1 1 68 68 PRO HA H 1 4.997 0.01 . 1 . 1320 . A 68 PRO HA . 25064 4 449 . 1 1 68 68 PRO HB2 H 1 2.361 0.01 . 2 . 1321 . A 68 PRO HB2 . 25064 4 450 . 1 1 68 68 PRO HB3 H 1 2.533 0.01 . 2 . 1322 . A 68 PRO HB3 . 25064 4 451 . 1 1 68 68 PRO HD2 H 1 3.422 0.01 . 2 . 1488 . A 68 PRO HD2 . 25064 4 452 . 1 1 68 68 PRO HD3 H 1 3.810 0.01 . 2 . 1489 . A 68 PRO HD3 . 25064 4 453 . 1 1 69 69 THR H H 1 8.227 0.001 . 1 . 926 . A 69 THR H . 25064 4 454 . 1 1 69 69 THR HA H 1 5.501 0.01 . 1 . 1688 . A 69 THR HA . 25064 4 455 . 1 1 69 69 THR HB H 1 4.676 0.01 . 1 . 1494 . A 69 THR HB . 25064 4 456 . 1 1 69 69 THR HG21 H 1 1.016 0.01 . 1 . 1820 . A 69 THR HG21 . 25064 4 457 . 1 1 69 69 THR HG22 H 1 1.016 0.01 . 1 . 1820 . A 69 THR HG22 . 25064 4 458 . 1 1 69 69 THR HG23 H 1 1.016 0.01 . 1 . 1820 . A 69 THR HG23 . 25064 4 459 . 1 1 69 69 THR N N 15 119.015 0.019 . 1 . 927 . A 69 THR N . 25064 4 460 . 1 1 70 70 PRO HA H 1 3.763 0.01 . 1 . 1299 . A 70 PRO HA . 25064 4 461 . 1 1 70 70 PRO HB2 H 1 1.568 0.01 . 2 . 1298 . A 70 PRO HB2 . 25064 4 462 . 1 1 70 70 PRO HB3 H 1 1.857 0.01 . 2 . 1297 . A 70 PRO HB3 . 25064 4 463 . 1 1 70 70 PRO HG2 H 1 1.997 0.01 . 1 . 1773 . A 70 PRO HG2 . 25064 4 464 . 1 1 70 70 PRO HG3 H 1 1.997 0.01 . 1 . 1774 . A 70 PRO HG3 . 25064 4 465 . 1 1 70 70 PRO HD2 H 1 3.540 0.01 . 2 . 1772 . A 70 PRO HD2 . 25064 4 466 . 1 1 70 70 PRO HD3 H 1 3.577 0.01 . 2 . 1771 . A 70 PRO HD3 . 25064 4 467 . 1 1 71 71 ALA H H 1 8.792 0.0 . 1 . 902 . A 71 ALA H . 25064 4 468 . 1 1 71 71 ALA HA H 1 4.109 0.01 . 1 . 1289 . A 71 ALA HA . 25064 4 469 . 1 1 71 71 ALA HB1 H 1 1.295 0.01 . 1 . 1290 . A 71 ALA HB1 . 25064 4 470 . 1 1 71 71 ALA HB2 H 1 1.295 0.01 . 1 . 1290 . A 71 ALA HB2 . 25064 4 471 . 1 1 71 71 ALA HB3 H 1 1.295 0.01 . 1 . 1290 . A 71 ALA HB3 . 25064 4 472 . 1 1 71 71 ALA N N 15 116.012 0.0 . 1 . 903 . A 71 ALA N . 25064 4 473 . 1 1 72 72 GLY H H 1 8.180 0.001 . 1 . 874 . A 72 GLY H . 25064 4 474 . 1 1 72 72 GLY HA2 H 1 3.715 0.01 . 2 . 1337 . A 72 GLY HA2 . 25064 4 475 . 1 1 72 72 GLY HA3 H 1 4.022 0.01 . 2 . 1338 . A 72 GLY HA3 . 25064 4 476 . 1 1 72 72 GLY N N 15 108.888 0.002 . 1 . 875 . A 72 GLY N . 25064 4 477 . 1 1 73 73 VAL H H 1 9.120 0.001 . 1 . 995 . A 73 VAL H . 25064 4 478 . 1 1 73 73 VAL HA H 1 3.558 0.01 . 1 . 1313 . A 73 VAL HA . 25064 4 479 . 1 1 73 73 VAL HB H 1 2.065 0.01 . 1 . 1314 . A 73 VAL HB . 25064 4 480 . 1 1 73 73 VAL HG11 H 1 0.807 0.01 . 2 . 1461 . A 73 VAL HG11 . 25064 4 481 . 1 1 73 73 VAL HG12 H 1 0.807 0.01 . 2 . 1461 . A 73 VAL HG12 . 25064 4 482 . 1 1 73 73 VAL HG13 H 1 0.807 0.01 . 2 . 1461 . A 73 VAL HG13 . 25064 4 483 . 1 1 73 73 VAL HG21 H 1 1.125 0.01 . 2 . 1460 . A 73 VAL HG21 . 25064 4 484 . 1 1 73 73 VAL HG22 H 1 1.125 0.01 . 2 . 1460 . A 73 VAL HG22 . 25064 4 485 . 1 1 73 73 VAL HG23 H 1 1.125 0.01 . 2 . 1460 . A 73 VAL HG23 . 25064 4 486 . 1 1 73 73 VAL N N 15 126.348 0.02 . 1 . 996 . A 73 VAL N . 25064 4 487 . 1 1 74 74 ALA H H 1 8.651 0.0 . 1 . 954 . A 74 ALA H . 25064 4 488 . 1 1 74 74 ALA HA H 1 3.763 0.01 . 1 . 1340 . A 74 ALA HA . 25064 4 489 . 1 1 74 74 ALA HB1 H 1 1.414 0.01 . 1 . 1341 . A 74 ALA HB1 . 25064 4 490 . 1 1 74 74 ALA HB2 H 1 1.414 0.01 . 1 . 1341 . A 74 ALA HB2 . 25064 4 491 . 1 1 74 74 ALA HB3 H 1 1.414 0.01 . 1 . 1341 . A 74 ALA HB3 . 25064 4 492 . 1 1 74 74 ALA N N 15 121.416 0.004 . 1 . 955 . A 74 ALA N . 25064 4 493 . 1 1 75 75 ARG H H 1 7.684 0.0 . 1 . 912 . A 75 ARG H . 25064 4 494 . 1 1 75 75 ARG HA H 1 4.031 0.01 . 1 . 1354 . A 75 ARG HA . 25064 4 495 . 1 1 75 75 ARG HB2 H 1 1.856 0.01 . 2 . 1355 . A 75 ARG HB2 . 25064 4 496 . 1 1 75 75 ARG HB3 H 1 1.986 0.01 . 2 . 1356 . A 75 ARG HB3 . 25064 4 497 . 1 1 75 75 ARG HG2 H 1 1.580 0.01 . 2 . 1464 . A 75 ARG HG2 . 25064 4 498 . 1 1 75 75 ARG HG3 H 1 1.837 0.01 . 2 . 1463 . A 75 ARG HG3 . 25064 4 499 . 1 1 75 75 ARG N N 15 117.984 0.027 . 1 . 913 . A 75 ARG N . 25064 4 500 . 1 1 76 76 ALA H H 1 7.867 0.001 . 1 . 977 . A 76 ALA H . 25064 4 501 . 1 1 76 76 ALA HA H 1 4.152 0.01 . 1 . 1419 . A 76 ALA HA . 25064 4 502 . 1 1 76 76 ALA HB1 H 1 1.455 0.01 . 1 . 1420 . A 76 ALA HB1 . 25064 4 503 . 1 1 76 76 ALA HB2 H 1 1.455 0.01 . 1 . 1420 . A 76 ALA HB2 . 25064 4 504 . 1 1 76 76 ALA HB3 H 1 1.455 0.01 . 1 . 1420 . A 76 ALA HB3 . 25064 4 505 . 1 1 76 76 ALA N N 15 123.500 0.007 . 1 . 978 . A 76 ALA N . 25064 4 506 . 1 1 77 77 LEU H H 1 8.456 0.001 . 1 . 936 . A 77 LEU H . 25064 4 507 . 1 1 77 77 LEU HA H 1 3.964 0.01 . 1 . 1412 . A 77 LEU HA . 25064 4 508 . 1 1 77 77 LEU HB2 H 1 1.831 0.01 . 2 . 1413 . A 77 LEU HB2 . 25064 4 509 . 1 1 77 77 LEU HB3 H 1 1.493 0.01 . 2 . 1442 . A 77 LEU HB3 . 25064 4 510 . 1 1 77 77 LEU HG H 1 1.943 0.01 . 1 . 1776 . A 77 LEU HG . 25064 4 511 . 1 1 77 77 LEU HD11 H 1 0.717 0.01 . 2 . 1779 . A 77 LEU HD11 . 25064 4 512 . 1 1 77 77 LEU HD12 H 1 0.717 0.01 . 2 . 1779 . A 77 LEU HD12 . 25064 4 513 . 1 1 77 77 LEU HD13 H 1 0.717 0.01 . 2 . 1779 . A 77 LEU HD13 . 25064 4 514 . 1 1 77 77 LEU HD21 H 1 0.815 0.01 . 2 . 1807 . A 77 LEU HD21 . 25064 4 515 . 1 1 77 77 LEU HD22 H 1 0.815 0.01 . 2 . 1807 . A 77 LEU HD22 . 25064 4 516 . 1 1 77 77 LEU HD23 H 1 0.815 0.01 . 2 . 1807 . A 77 LEU HD23 . 25064 4 517 . 1 1 77 77 LEU N N 15 117.805 0.016 . 1 . 937 . A 77 LEU N . 25064 4 518 . 1 1 78 78 ALA H H 1 7.763 0.0 . 1 . 965 . A 78 ALA H . 25064 4 519 . 1 1 78 78 ALA HA H 1 4.157 0.01 . 1 . 1396 . A 78 ALA HA . 25064 4 520 . 1 1 78 78 ALA HB1 H 1 1.472 0.01 . 1 . 1397 . A 78 ALA HB1 . 25064 4 521 . 1 1 78 78 ALA HB2 H 1 1.472 0.01 . 1 . 1397 . A 78 ALA HB2 . 25064 4 522 . 1 1 78 78 ALA HB3 H 1 1.472 0.01 . 1 . 1397 . A 78 ALA HB3 . 25064 4 523 . 1 1 78 78 ALA N N 15 121.595 0.012 . 1 . 966 . A 78 ALA N . 25064 4 524 . 1 1 79 79 ALA H H 1 7.594 0.001 . 1 . 916 . A 79 ALA H . 25064 4 525 . 1 1 79 79 ALA HA H 1 4.183 0.01 . 1 . 1389 . A 79 ALA HA . 25064 4 526 . 1 1 79 79 ALA HB1 H 1 1.440 0.01 . 1 . 1390 . A 79 ALA HB1 . 25064 4 527 . 1 1 79 79 ALA HB2 H 1 1.440 0.01 . 1 . 1390 . A 79 ALA HB2 . 25064 4 528 . 1 1 79 79 ALA HB3 H 1 1.440 0.01 . 1 . 1390 . A 79 ALA HB3 . 25064 4 529 . 1 1 79 79 ALA N N 15 120.077 0.032 . 1 . 917 . A 79 ALA N . 25064 4 530 . 1 1 80 80 LYS H H 1 7.781 0.01 . 1 . 920 . A 80 LYS H . 25064 4 531 . 1 1 80 80 LYS HA H 1 4.222 0.01 . 1 . 1362 . A 80 LYS HA . 25064 4 532 . 1 1 80 80 LYS N N 15 118.073 0.10 . 1 . 921 . A 80 LYS N . 25064 4 533 . 1 1 88 88 GLN HA H 1 4.224 0.01 . 1 . 1379 . A 88 GLN HA . 25064 4 534 . 1 1 89 89 PHE H H 1 8.138 0.01 . 1 . 946 . A 89 PHE H . 25064 4 535 . 1 1 89 89 PHE N N 15 120.564 0.10 . 1 . 947 . A 89 PHE N . 25064 4 536 . 1 1 90 90 GLU HA H 1 4.223 0.01 . 1 . 1423 . A 90 GLU HA . 25064 4 537 . 1 1 90 90 GLU HB3 H 1 1.999 0.01 . 1 . 1424 . A 90 GLU HB3 . 25064 4 538 . 1 1 91 91 LYS H H 1 7.886 0.005 . 1 . 999 . A 91 LYS H . 25064 4 539 . 1 1 91 91 LYS HA H 1 4.101 0.01 . 1 . 1421 . A 91 LYS HA . 25064 4 540 . 1 1 91 91 LYS HB2 H 1 1.791 0.01 . 1 . 1422 . A 91 LYS HB2 . 25064 4 541 . 1 1 91 91 LYS HG2 H 1 1.344 0.01 . 1 . 1510 . A 91 LYS HG2 . 25064 4 542 . 1 1 91 91 LYS HD3 H 1 1.679 0.01 . 1 . 1509 . A 91 LYS HD3 . 25064 4 543 . 1 1 91 91 LYS N N 15 127.347 0.116 . 1 . 1000 . A 91 LYS N . 25064 4 stop_ save_