data_15622 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15622 _Entry.Title ; Solution structure of an antilipopolysaccharide factor from shrimp ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-01-09 _Entry.Accession_date 2008-01-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.78 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'ALF solution structure' _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 Yinshan Yang . . . 15622 2 Helene Boze . . . 15622 3 Patrick Chemardin . . . 15622 4 Andre Padilla . . . 15622 5 Guy Moulin . . . 15622 6 Anchalaee Tassanakajon . . . 15622 7 Martine Pugniere . . . 15622 8 Francoise Roquet . . . 15622 9 Yannick Gueguen . . . 15622 10 Evelyne Bachere . . . 15622 11 Andre Aumelas . . . 15622 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 . 'not applicable' 'not applicable' . 15622 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ALF . 15622 endotoxin . 15622 'Lipid A binding protein' . 15622 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15622 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 90 15622 '1H chemical shifts' 619 15622 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-10-24 2008-01-09 update BMRB 'complete entry citation' 15622 1 . . 2008-09-19 2008-01-09 original author 'original release' 15622 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JOB 'BMRB Entry Tracking System' 15622 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15622 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18466970 _Citation.Full_citation . _Citation.Title 'Localization of anti-lipopolysaccharide factor (ALFPm3) in tissues of the black tiger shrimp, Penaeus monodon, and characterization of its binding properties.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Dev. Comp. Immunol.' _Citation.Journal_name_full 'Developmental and Comparative Immunology' _Citation.Journal_volume 32 _Citation.Journal_issue 10 _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 1170 _Citation.Page_last 1176 _Citation.Year 2008 _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 Kunlaya Somboonwiwat . . . 15622 1 2 Evelyne Bachere . . . 15622 1 3 Vichien Rimphanitchayakit . . . 15622 1 4 Anchalaee Tassanakajon . . . 15622 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15622 _Assembly.ID 1 _Assembly.Name 'antilipopolysaccharide factor' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'antilipopolysaccharide factor' 1 $antilipopolysaccharide_factor A . yes native no no . . . 15622 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 34 34 SG . 1 . 1 CYS 55 55 SG . . . . . . . . . . 15622 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_antilipopolysaccharide_factor _Entity.Sf_category entity _Entity.Sf_framecode antilipopolysaccharide_factor _Entity.Entry_ID 15622 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name antilipopolysaccharide_factor _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EAYVQGWEAVAAAVASKIVG LWRNEKTELLGHECKFTVKP YLKRFQVYYKGRMWCPGWTA IRGEASTRSQSGVAGKTAKD FVRKAFQKGLISQQEANQWL SS ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'disulfide bond' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11534.318 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JOB . "Solution Structure Of An Antilipopolysaccharide Factor From Shrimp And Its Possible Lipid A Binding Site" . . . . . 100.00 102 100.00 100.00 2.93e-67 . . . . 15622 1 2 no GB ABP73289 . "anti-lipopolysaccharide factor isoform 3 [Penaeus monodon]" . . . . . 96.08 123 100.00 100.00 1.15e-64 . . . . 15622 1 3 no GB ABP73292 . "anti-lipopolysaccharide factor isoform 3 [Penaeus monodon]" . . . . . 96.08 123 100.00 100.00 1.15e-64 . . . . 15622 1 4 no GB ACC86067 . "anti-lipopolysaccharide factor [Penaeus monodon]" . . . . . 96.08 118 100.00 100.00 2.07e-64 . . . . 15622 1 5 no GB ADC32520 . "antilipopolysaccharide factor [Penaeus monodon]" . . . . . 96.08 123 96.94 100.00 1.21e-62 . . . . 15622 1 6 no GB ADK74771 . "anti-lipopolysacharide factor [Penaeus monodon]" . . . . . 92.16 98 100.00 100.00 4.63e-61 . . . . 15622 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 . GLU . 15622 1 2 . ALA . 15622 1 3 . TYR . 15622 1 4 . VAL . 15622 1 5 . GLN . 15622 1 6 . GLY . 15622 1 7 . TRP . 15622 1 8 . GLU . 15622 1 9 . ALA . 15622 1 10 . VAL . 15622 1 11 . ALA . 15622 1 12 . ALA . 15622 1 13 . ALA . 15622 1 14 . VAL . 15622 1 15 . ALA . 15622 1 16 . SER . 15622 1 17 . LYS . 15622 1 18 . ILE . 15622 1 19 . VAL . 15622 1 20 . GLY . 15622 1 21 . LEU . 15622 1 22 . TRP . 15622 1 23 . ARG . 15622 1 24 . ASN . 15622 1 25 . GLU . 15622 1 26 . LYS . 15622 1 27 . THR . 15622 1 28 . GLU . 15622 1 29 . LEU . 15622 1 30 . LEU . 15622 1 31 . GLY . 15622 1 32 . HIS . 15622 1 33 . GLU . 15622 1 34 . CYS . 15622 1 35 . LYS . 15622 1 36 . PHE . 15622 1 37 . THR . 15622 1 38 . VAL . 15622 1 39 . LYS . 15622 1 40 . PRO . 15622 1 41 . TYR . 15622 1 42 . LEU . 15622 1 43 . LYS . 15622 1 44 . ARG . 15622 1 45 . PHE . 15622 1 46 . GLN . 15622 1 47 . VAL . 15622 1 48 . TYR . 15622 1 49 . TYR . 15622 1 50 . LYS . 15622 1 51 . GLY . 15622 1 52 . ARG . 15622 1 53 . MET . 15622 1 54 . TRP . 15622 1 55 . CYS . 15622 1 56 . PRO . 15622 1 57 . GLY . 15622 1 58 . TRP . 15622 1 59 . THR . 15622 1 60 . ALA . 15622 1 61 . ILE . 15622 1 62 . ARG . 15622 1 63 . GLY . 15622 1 64 . GLU . 15622 1 65 . ALA . 15622 1 66 . SER . 15622 1 67 . THR . 15622 1 68 . ARG . 15622 1 69 . SER . 15622 1 70 . GLN . 15622 1 71 . SER . 15622 1 72 . GLY . 15622 1 73 . VAL . 15622 1 74 . ALA . 15622 1 75 . GLY . 15622 1 76 . LYS . 15622 1 77 . THR . 15622 1 78 . ALA . 15622 1 79 . LYS . 15622 1 80 . ASP . 15622 1 81 . PHE . 15622 1 82 . VAL . 15622 1 83 . ARG . 15622 1 84 . LYS . 15622 1 85 . ALA . 15622 1 86 . PHE . 15622 1 87 . GLN . 15622 1 88 . LYS . 15622 1 89 . GLY . 15622 1 90 . LEU . 15622 1 91 . ILE . 15622 1 92 . SER . 15622 1 93 . GLN . 15622 1 94 . GLN . 15622 1 95 . GLU . 15622 1 96 . ALA . 15622 1 97 . ASN . 15622 1 98 . GLN . 15622 1 99 . TRP . 15622 1 100 . LEU . 15622 1 101 . SER . 15622 1 102 . SER . 15622 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 . GLU 1 1 15622 1 . ALA 2 2 15622 1 . TYR 3 3 15622 1 . VAL 4 4 15622 1 . GLN 5 5 15622 1 . GLY 6 6 15622 1 . TRP 7 7 15622 1 . GLU 8 8 15622 1 . ALA 9 9 15622 1 . VAL 10 10 15622 1 . ALA 11 11 15622 1 . ALA 12 12 15622 1 . ALA 13 13 15622 1 . VAL 14 14 15622 1 . ALA 15 15 15622 1 . SER 16 16 15622 1 . LYS 17 17 15622 1 . ILE 18 18 15622 1 . VAL 19 19 15622 1 . GLY 20 20 15622 1 . LEU 21 21 15622 1 . TRP 22 22 15622 1 . ARG 23 23 15622 1 . ASN 24 24 15622 1 . GLU 25 25 15622 1 . LYS 26 26 15622 1 . THR 27 27 15622 1 . GLU 28 28 15622 1 . LEU 29 29 15622 1 . LEU 30 30 15622 1 . GLY 31 31 15622 1 . HIS 32 32 15622 1 . GLU 33 33 15622 1 . CYS 34 34 15622 1 . LYS 35 35 15622 1 . PHE 36 36 15622 1 . THR 37 37 15622 1 . VAL 38 38 15622 1 . LYS 39 39 15622 1 . PRO 40 40 15622 1 . TYR 41 41 15622 1 . LEU 42 42 15622 1 . LYS 43 43 15622 1 . ARG 44 44 15622 1 . PHE 45 45 15622 1 . GLN 46 46 15622 1 . VAL 47 47 15622 1 . TYR 48 48 15622 1 . TYR 49 49 15622 1 . LYS 50 50 15622 1 . GLY 51 51 15622 1 . ARG 52 52 15622 1 . MET 53 53 15622 1 . TRP 54 54 15622 1 . CYS 55 55 15622 1 . PRO 56 56 15622 1 . GLY 57 57 15622 1 . TRP 58 58 15622 1 . THR 59 59 15622 1 . ALA 60 60 15622 1 . ILE 61 61 15622 1 . ARG 62 62 15622 1 . GLY 63 63 15622 1 . GLU 64 64 15622 1 . ALA 65 65 15622 1 . SER 66 66 15622 1 . THR 67 67 15622 1 . ARG 68 68 15622 1 . SER 69 69 15622 1 . GLN 70 70 15622 1 . SER 71 71 15622 1 . GLY 72 72 15622 1 . VAL 73 73 15622 1 . ALA 74 74 15622 1 . GLY 75 75 15622 1 . LYS 76 76 15622 1 . THR 77 77 15622 1 . ALA 78 78 15622 1 . LYS 79 79 15622 1 . ASP 80 80 15622 1 . PHE 81 81 15622 1 . VAL 82 82 15622 1 . ARG 83 83 15622 1 . LYS 84 84 15622 1 . ALA 85 85 15622 1 . PHE 86 86 15622 1 . GLN 87 87 15622 1 . LYS 88 88 15622 1 . GLY 89 89 15622 1 . LEU 90 90 15622 1 . ILE 91 91 15622 1 . SER 92 92 15622 1 . GLN 93 93 15622 1 . GLN 94 94 15622 1 . GLU 95 95 15622 1 . ALA 96 96 15622 1 . ASN 97 97 15622 1 . GLN 98 98 15622 1 . TRP 99 99 15622 1 . LEU 100 100 15622 1 . SER 101 101 15622 1 . SER 102 102 15622 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 15622 _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 $antilipopolysaccharide_factor . 6687 . . 'Penaeus monodon' 'black tiger shrimp' . . Eukaryota Metazoa Penaeus monodon . . . . . . . . . . . . . . . . . . 'Overexpressed in Pichia Pastoris' . . 15622 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 15622 _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 $antilipopolysaccharide_factor . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris . . . . . . . . . . . . . . . . 'not available' . . . 'Two types of promoters were used: either AOX1 or GAP' . . 15622 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15622 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ALF 'natural abundance' . . 1 $antilipopolysaccharide_factor . . 1 . . mM . . . . 15622 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15622 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ALF '[U-99% 15N]' . . 1 $antilipopolysaccharide_factor . . 1 . . mM . . . . 15622 2 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 15622 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Natural abondance' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 15622 1 pH 6.9 . pH 15622 1 pressure 1 . atm 15622 1 temperature 305 . K 15622 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 15622 _Sample_condition_list.ID 2 _Sample_condition_list.Details '15N labelled sample' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 15622 2 pH 6.9 . pH 15622 2 pressure 1 . atm 15622 2 temperature 305 . K 15622 2 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15622 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15622 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15622 1 stop_ save_ save_GIFA _Software.Sf_category software _Software.Sf_framecode GIFA _Software.Entry_ID 15622 _Software.ID 2 _Software.Name GIFA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Delsuc . . 15622 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15622 2 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 15622 _Software.ID 3 _Software.Name X-PLOR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 15622 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15622 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15622 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15622 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 Cryoprobe . . 15622 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 15622 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15622 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15622 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15622 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15622 1 5 '3D 1H-15N HSQC-NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15622 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 15622 _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 . . . . . . . . . 15622 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15622 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 15622 _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 0.001 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _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 TOCSY' . . . 15622 1 3 '2D 1H-1H NOESY' . . . 15622 1 5 '3D 1H-15N HSQC-NOESY' . . . 15622 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $GIFA . . 15622 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA H H 1 7.643 0.001 . 1 . . . . 2 ALA H . 15622 1 2 . 1 1 2 2 ALA HA H 1 4.231 0.001 . 1 . . . . 2 ALA HA . 15622 1 3 . 1 1 2 2 ALA HB1 H 1 1.180 0.001 . 1 . . . . 2 ALA HB . 15622 1 4 . 1 1 2 2 ALA HB2 H 1 1.180 0.001 . 1 . . . . 2 ALA HB . 15622 1 5 . 1 1 2 2 ALA HB3 H 1 1.180 0.001 . 1 . . . . 2 ALA HB . 15622 1 6 . 1 1 3 3 TYR H H 1 7.888 0.001 . 1 . . . . 3 TYR H . 15622 1 7 . 1 1 3 3 TYR HB2 H 1 3.185 0.001 . 2 . . . . 3 TYR HB2 . 15622 1 8 . 1 1 3 3 TYR HD1 H 1 7.088 0.001 . 3 . . . . 3 TYR HD1 . 15622 1 9 . 1 1 3 3 TYR HE1 H 1 6.865 0.001 . 3 . . . . 3 TYR HE1 . 15622 1 10 . 1 1 6 6 GLY H H 1 8.608 0.001 . 1 . . . . 6 GLY H . 15622 1 11 . 1 1 6 6 GLY HA2 H 1 4.132 0.001 . 2 . . . . 6 GLY HA2 . 15622 1 12 . 1 1 6 6 GLY HA3 H 1 3.962 0.001 . 2 . . . . 6 GLY HA3 . 15622 1 13 . 1 1 7 7 TRP H H 1 7.780 0.001 . 1 . . . . 7 TRP H . 15622 1 14 . 1 1 7 7 TRP HA H 1 4.348 0.001 . 1 . . . . 7 TRP HA . 15622 1 15 . 1 1 7 7 TRP HB2 H 1 2.997 0.001 . 2 . . . . 7 TRP HB2 . 15622 1 16 . 1 1 7 7 TRP HD1 H 1 7.226 0.001 . 1 . . . . 7 TRP HD1 . 15622 1 17 . 1 1 7 7 TRP HE1 H 1 10.058 0.001 . 1 . . . . 7 TRP HE1 . 15622 1 18 . 1 1 7 7 TRP HE3 H 1 7.037 0.001 . 1 . . . . 7 TRP HE3 . 15622 1 19 . 1 1 7 7 TRP HH2 H 1 7.130 0.001 . 1 . . . . 7 TRP HH2 . 15622 1 20 . 1 1 7 7 TRP HZ2 H 1 7.427 0.001 . 1 . . . . 7 TRP HZ2 . 15622 1 21 . 1 1 7 7 TRP HZ3 H 1 6.845 0.001 . 1 . . . . 7 TRP HZ3 . 15622 1 22 . 1 1 7 7 TRP N N 15 118.57 0.01 . 1 . . . . 7 TRP N . 15622 1 23 . 1 1 7 7 TRP NE1 N 15 129.67 0.01 . 1 . . . . 7 TRP NE1 . 15622 1 24 . 1 1 8 8 GLU H H 1 8.097 0.001 . 1 . . . . 8 GLU H . 15622 1 25 . 1 1 8 8 GLU HA H 1 3.651 0.001 . 1 . . . . 8 GLU HA . 15622 1 26 . 1 1 8 8 GLU HB2 H 1 1.816 0.001 . 2 . . . . 8 GLU HB2 . 15622 1 27 . 1 1 8 8 GLU HB3 H 1 1.789 0.001 . 2 . . . . 8 GLU HB3 . 15622 1 28 . 1 1 8 8 GLU N N 15 121.23 0.01 . 1 . . . . 8 GLU N . 15622 1 29 . 1 1 9 9 ALA H H 1 7.952 0.001 . 1 . . . . 9 ALA H . 15622 1 30 . 1 1 9 9 ALA HA H 1 4.194 0.001 . 1 . . . . 9 ALA HA . 15622 1 31 . 1 1 9 9 ALA HB1 H 1 1.490 0.001 . 1 . . . . 9 ALA HB . 15622 1 32 . 1 1 9 9 ALA HB2 H 1 1.490 0.001 . 1 . . . . 9 ALA HB . 15622 1 33 . 1 1 9 9 ALA HB3 H 1 1.490 0.001 . 1 . . . . 9 ALA HB . 15622 1 34 . 1 1 9 9 ALA N N 15 121.97 0.01 . 1 . . . . 9 ALA N . 15622 1 35 . 1 1 10 10 VAL H H 1 7.768 0.001 . 1 . . . . 10 VAL H . 15622 1 36 . 1 1 10 10 VAL HA H 1 3.993 0.001 . 1 . . . . 10 VAL HA . 15622 1 37 . 1 1 10 10 VAL HB H 1 2.240 0.001 . 1 . . . . 10 VAL HB . 15622 1 38 . 1 1 10 10 VAL HG11 H 1 1.150 0.001 . 2 . . . . 10 VAL HG1 . 15622 1 39 . 1 1 10 10 VAL HG12 H 1 1.150 0.001 . 2 . . . . 10 VAL HG1 . 15622 1 40 . 1 1 10 10 VAL HG13 H 1 1.150 0.001 . 2 . . . . 10 VAL HG1 . 15622 1 41 . 1 1 10 10 VAL HG21 H 1 1.125 0.001 . 2 . . . . 10 VAL HG2 . 15622 1 42 . 1 1 10 10 VAL HG22 H 1 1.125 0.001 . 2 . . . . 10 VAL HG2 . 15622 1 43 . 1 1 10 10 VAL HG23 H 1 1.125 0.001 . 2 . . . . 10 VAL HG2 . 15622 1 44 . 1 1 10 10 VAL N N 15 119.65 0.01 . 1 . . . . 10 VAL N . 15622 1 45 . 1 1 11 11 ALA H H 1 8.575 0.001 . 1 . . . . 11 ALA H . 15622 1 46 . 1 1 11 11 ALA HA H 1 4.002 0.001 . 1 . . . . 11 ALA HA . 15622 1 47 . 1 1 11 11 ALA HB1 H 1 1.447 0.001 . 1 . . . . 11 ALA HB . 15622 1 48 . 1 1 11 11 ALA HB2 H 1 1.447 0.001 . 1 . . . . 11 ALA HB . 15622 1 49 . 1 1 11 11 ALA HB3 H 1 1.447 0.001 . 1 . . . . 11 ALA HB . 15622 1 50 . 1 1 11 11 ALA N N 15 122.60 0.001 . 1 . . . . 11 ALA N . 15622 1 51 . 1 1 12 12 ALA H H 1 8.023 0.001 . 1 . . . . 12 ALA H . 15622 1 52 . 1 1 12 12 ALA HA H 1 4.102 0.001 . 1 . . . . 12 ALA HA . 15622 1 53 . 1 1 12 12 ALA HB1 H 1 1.593 0.001 . 1 . . . . 12 ALA HB . 15622 1 54 . 1 1 12 12 ALA HB2 H 1 1.593 0.001 . 1 . . . . 12 ALA HB . 15622 1 55 . 1 1 12 12 ALA HB3 H 1 1.593 0.001 . 1 . . . . 12 ALA HB . 15622 1 56 . 1 1 12 12 ALA N N 15 119.30 0.01 . 1 . . . . 12 ALA N . 15622 1 57 . 1 1 13 13 ALA H H 1 7.770 0.001 . 1 . . . . 13 ALA H . 15622 1 58 . 1 1 13 13 ALA HA H 1 4.345 0.001 . 1 . . . . 13 ALA HA . 15622 1 59 . 1 1 13 13 ALA HB1 H 1 1.713 0.001 . 1 . . . . 13 ALA HB . 15622 1 60 . 1 1 13 13 ALA HB2 H 1 1.713 0.001 . 1 . . . . 13 ALA HB . 15622 1 61 . 1 1 13 13 ALA HB3 H 1 1.713 0.001 . 1 . . . . 13 ALA HB . 15622 1 62 . 1 1 13 13 ALA N N 15 123.09 0.001 . 1 . . . . 13 ALA N . 15622 1 63 . 1 1 14 14 VAL H H 1 9.003 0.01 . 1 . . . . 14 VAL H . 15622 1 64 . 1 1 14 14 VAL HA H 1 4.047 0.001 . 1 . . . . 14 VAL HA . 15622 1 65 . 1 1 14 14 VAL HB H 1 2.548 0.001 . 1 . . . . 14 VAL HB . 15622 1 66 . 1 1 14 14 VAL HG11 H 1 1.194 0.001 . 2 . . . . 14 VAL HG1 . 15622 1 67 . 1 1 14 14 VAL HG12 H 1 1.194 0.001 . 2 . . . . 14 VAL HG1 . 15622 1 68 . 1 1 14 14 VAL HG13 H 1 1.194 0.001 . 2 . . . . 14 VAL HG1 . 15622 1 69 . 1 1 14 14 VAL HG21 H 1 1.464 0.001 . 2 . . . . 14 VAL HG2 . 15622 1 70 . 1 1 14 14 VAL HG22 H 1 1.464 0.001 . 2 . . . . 14 VAL HG2 . 15622 1 71 . 1 1 14 14 VAL HG23 H 1 1.464 0.001 . 2 . . . . 14 VAL HG2 . 15622 1 72 . 1 1 14 14 VAL N N 15 121.16 0.01 . 1 . . . . 14 VAL N . 15622 1 73 . 1 1 15 15 ALA H H 1 8.634 0.001 . 1 . . . . 15 ALA H . 15622 1 74 . 1 1 15 15 ALA HA H 1 4.088 0.001 . 1 . . . . 15 ALA HA . 15622 1 75 . 1 1 15 15 ALA HB1 H 1 1.574 0.001 . 1 . . . . 15 ALA HB . 15622 1 76 . 1 1 15 15 ALA HB2 H 1 1.574 0.001 . 1 . . . . 15 ALA HB . 15622 1 77 . 1 1 15 15 ALA HB3 H 1 1.574 0.001 . 1 . . . . 15 ALA HB . 15622 1 78 . 1 1 15 15 ALA N N 15 120.97 0.01 . 1 . . . . 15 ALA N . 15622 1 79 . 1 1 16 16 SER H H 1 8.050 0.001 . 1 . . . . 16 SER H . 15622 1 80 . 1 1 16 16 SER HA H 1 4.262 0.001 . 1 . . . . 16 SER HA . 15622 1 81 . 1 1 16 16 SER HB2 H 1 4.094 0.001 . 2 . . . . 16 SER HB2 . 15622 1 82 . 1 1 16 16 SER HB3 H 1 4.063 0.001 . 2 . . . . 16 SER HB3 . 15622 1 83 . 1 1 16 16 SER N N 15 112.07 0.01 . 1 . . . . 16 SER N . 15622 1 84 . 1 1 17 17 LYS H H 1 7.824 0.001 . 1 . . . . 17 LYS H . 15622 1 85 . 1 1 17 17 LYS HA H 1 4.222 0.001 . 1 . . . . 17 LYS HA . 15622 1 86 . 1 1 17 17 LYS HB2 H 1 2.179 0.001 . 2 . . . . 17 LYS HB2 . 15622 1 87 . 1 1 17 17 LYS HB3 H 1 1.698 0.001 . 2 . . . . 17 LYS HB3 . 15622 1 88 . 1 1 17 17 LYS HD2 H 1 1.346 0.001 . 2 . . . . 17 LYS HD2 . 15622 1 89 . 1 1 17 17 LYS HD3 H 1 2.318 0.001 . 2 . . . . 17 LYS HD3 . 15622 1 90 . 1 1 17 17 LYS HE2 H 1 1.900 0.001 . 2 . . . . 17 LYS HE2 . 15622 1 91 . 1 1 17 17 LYS HE3 H 1 0.978 0.001 . 2 . . . . 17 LYS HE3 . 15622 1 92 . 1 1 17 17 LYS HG2 H 1 0.026 0.001 . 2 . . . . 17 LYS HG2 . 15622 1 93 . 1 1 17 17 LYS HG3 H 1 1.200 0.001 . 2 . . . . 17 LYS HG3 . 15622 1 94 . 1 1 17 17 LYS N N 15 124.51 0.01 . 1 . . . . 17 LYS N . 15622 1 95 . 1 1 18 18 ILE H H 1 8.439 0.001 . 1 . . . . 18 ILE H . 15622 1 96 . 1 1 18 18 ILE HA H 1 3.880 0.001 . 1 . . . . 18 ILE HA . 15622 1 97 . 1 1 18 18 ILE HD11 H 1 1.195 0.001 . 1 . . . . 18 ILE HD1 . 15622 1 98 . 1 1 18 18 ILE HD12 H 1 1.195 0.001 . 1 . . . . 18 ILE HD1 . 15622 1 99 . 1 1 18 18 ILE HD13 H 1 1.195 0.001 . 1 . . . . 18 ILE HD1 . 15622 1 100 . 1 1 18 18 ILE HG21 H 1 0.850 0.001 . 1 . . . . 18 ILE HG2 . 15622 1 101 . 1 1 18 18 ILE HG22 H 1 0.850 0.001 . 1 . . . . 18 ILE HG2 . 15622 1 102 . 1 1 18 18 ILE HG23 H 1 0.850 0.001 . 1 . . . . 18 ILE HG2 . 15622 1 103 . 1 1 18 18 ILE N N 15 119.08 0.01 . 1 . . . . 18 ILE N . 15622 1 104 . 1 1 19 19 VAL H H 1 7.902 0.001 . 1 . . . . 19 VAL H . 15622 1 105 . 1 1 19 19 VAL HA H 1 3.517 0.001 . 1 . . . . 19 VAL HA . 15622 1 106 . 1 1 19 19 VAL HB H 1 2.192 0.001 . 1 . . . . 19 VAL HB . 15622 1 107 . 1 1 19 19 VAL HG11 H 1 1.087 0.001 . 2 . . . . 19 VAL HG1 . 15622 1 108 . 1 1 19 19 VAL HG12 H 1 1.087 0.001 . 2 . . . . 19 VAL HG1 . 15622 1 109 . 1 1 19 19 VAL HG13 H 1 1.087 0.001 . 2 . . . . 19 VAL HG1 . 15622 1 110 . 1 1 19 19 VAL HG21 H 1 0.942 0.001 . 2 . . . . 19 VAL HG2 . 15622 1 111 . 1 1 19 19 VAL HG22 H 1 0.942 0.001 . 2 . . . . 19 VAL HG2 . 15622 1 112 . 1 1 19 19 VAL HG23 H 1 0.942 0.001 . 2 . . . . 19 VAL HG2 . 15622 1 113 . 1 1 19 19 VAL N N 15 119.15 0.01 . 1 . . . . 19 VAL N . 15622 1 114 . 1 1 20 20 GLY H H 1 8.171 0.001 . 1 . . . . 20 GLY H . 15622 1 115 . 1 1 20 20 GLY HA2 H 1 4.064 0.001 . 2 . . . . 20 GLY HA2 . 15622 1 116 . 1 1 20 20 GLY HA3 H 1 4.177 0.001 . 2 . . . . 20 GLY HA3 . 15622 1 117 . 1 1 20 20 GLY N N 15 109.01 0.01 . 1 . . . . 20 GLY N . 15622 1 118 . 1 1 21 21 LEU H H 1 7.563 0.001 . 1 . . . . 21 LEU H . 15622 1 119 . 1 1 21 21 LEU HA H 1 4.428 0.001 . 1 . . . . 21 LEU HA . 15622 1 120 . 1 1 21 21 LEU HB2 H 1 2.064 0.001 . 2 . . . . 21 LEU HB2 . 15622 1 121 . 1 1 21 21 LEU HB3 H 1 1.813 0.001 . 2 . . . . 21 LEU HB3 . 15622 1 122 . 1 1 21 21 LEU HD11 H 1 1.109 0.001 . 2 . . . . 21 LEU HD1 . 15622 1 123 . 1 1 21 21 LEU HD12 H 1 1.109 0.001 . 2 . . . . 21 LEU HD1 . 15622 1 124 . 1 1 21 21 LEU HD13 H 1 1.109 0.001 . 2 . . . . 21 LEU HD1 . 15622 1 125 . 1 1 21 21 LEU HD21 H 1 0.927 0.001 . 2 . . . . 21 LEU HD2 . 15622 1 126 . 1 1 21 21 LEU HD22 H 1 0.927 0.001 . 2 . . . . 21 LEU HD2 . 15622 1 127 . 1 1 21 21 LEU HD23 H 1 0.927 0.001 . 2 . . . . 21 LEU HD2 . 15622 1 128 . 1 1 21 21 LEU HG H 1 1.921 0.001 . 1 . . . . 21 LEU HG . 15622 1 129 . 1 1 21 21 LEU N N 15 120.46 0.01 . 1 . . . . 21 LEU N . 15622 1 130 . 1 1 22 22 TRP H H 1 7.351 0.001 . 1 . . . . 22 TRP H . 15622 1 131 . 1 1 22 22 TRP HA H 1 5.398 0.001 . 1 . . . . 22 TRP HA . 15622 1 132 . 1 1 22 22 TRP HB2 H 1 3.730 0.001 . 2 . . . . 22 TRP HB2 . 15622 1 133 . 1 1 22 22 TRP HB3 H 1 2.688 0.001 . 2 . . . . 22 TRP HB3 . 15622 1 134 . 1 1 22 22 TRP HD1 H 1 7.051 0.001 . 1 . . . . 22 TRP HD1 . 15622 1 135 . 1 1 22 22 TRP HE1 H 1 9.672 0.001 . 1 . . . . 22 TRP HE1 . 15622 1 136 . 1 1 22 22 TRP HE3 H 1 7.490 0.001 . 1 . . . . 22 TRP HE3 . 15622 1 137 . 1 1 22 22 TRP HH2 H 1 7.175 0.001 . 1 . . . . 22 TRP HH2 . 15622 1 138 . 1 1 22 22 TRP HZ2 H 1 7.440 0.001 . 1 . . . . 22 TRP HZ2 . 15622 1 139 . 1 1 22 22 TRP HZ3 H 1 7.072 0.001 . 1 . . . . 22 TRP HZ3 . 15622 1 140 . 1 1 22 22 TRP N N 15 122.25 0.01 . 1 . . . . 22 TRP N . 15622 1 141 . 1 1 22 22 TRP NE1 N 15 127.52 0.01 . 1 . . . . 22 TRP NE1 . 15622 1 142 . 1 1 23 23 ARG H H 1 9.002 0.001 . 1 . . . . 23 ARG H . 15622 1 143 . 1 1 23 23 ARG HA H 1 4.171 0.001 . 1 . . . . 23 ARG HA . 15622 1 144 . 1 1 23 23 ARG HB2 H 1 1.790 0.001 . 2 . . . . 23 ARG HB2 . 15622 1 145 . 1 1 23 23 ARG HD2 H 1 3.256 0.001 . 2 . . . . 23 ARG HD2 . 15622 1 146 . 1 1 23 23 ARG HD3 H 1 3.171 0.001 . 2 . . . . 23 ARG HD3 . 15622 1 147 . 1 1 23 23 ARG HG2 H 1 1.593 0.001 . 2 . . . . 23 ARG HG2 . 15622 1 148 . 1 1 23 23 ARG N N 15 129.78 0.01 . 1 . . . . 23 ARG N . 15622 1 149 . 1 1 24 24 ASN H H 1 9.116 0.001 . 1 . . . . 24 ASN H . 15622 1 150 . 1 1 24 24 ASN HA H 1 4.362 0.001 . 1 . . . . 24 ASN HA . 15622 1 151 . 1 1 24 24 ASN HB2 H 1 2.841 0.001 . 2 . . . . 24 ASN HB2 . 15622 1 152 . 1 1 24 24 ASN HB3 H 1 3.038 0.001 . 2 . . . . 24 ASN HB3 . 15622 1 153 . 1 1 24 24 ASN HD21 H 1 7.671 0.001 . 2 . . . . 24 ASN HD21 . 15622 1 154 . 1 1 24 24 ASN HD22 H 1 6.911 0.001 . 2 . . . . 24 ASN HD22 . 15622 1 155 . 1 1 24 24 ASN ND2 N 15 113.32 0.01 . 1 . . . . 24 ASN ND2 . 15622 1 156 . 1 1 25 25 GLU H H 1 8.673 0.001 . 1 . . . . 25 GLU H . 15622 1 157 . 1 1 25 25 GLU HA H 1 4.760 0.001 . 1 . . . . 25 GLU HA . 15622 1 158 . 1 1 25 25 GLU HB2 H 1 2.461 0.001 . 2 . . . . 25 GLU HB2 . 15622 1 159 . 1 1 25 25 GLU HB3 H 1 2.337 0.001 . 2 . . . . 25 GLU HB3 . 15622 1 160 . 1 1 25 25 GLU HG2 H 1 2.339 0.001 . 2 . . . . 25 GLU HG2 . 15622 1 161 . 1 1 25 25 GLU N N 15 109.99 0.01 . 1 . . . . 25 GLU N . 15622 1 162 . 1 1 26 26 LYS H H 1 8.257 0.001 . 1 . . . . 26 LYS H . 15622 1 163 . 1 1 26 26 LYS HA H 1 5.485 0.001 . 1 . . . . 26 LYS HA . 15622 1 164 . 1 1 26 26 LYS HB2 H 1 1.963 0.001 . 2 . . . . 26 LYS HB2 . 15622 1 165 . 1 1 26 26 LYS HB3 H 1 2.014 0.001 . 2 . . . . 26 LYS HB3 . 15622 1 166 . 1 1 26 26 LYS HD2 H 1 1.691 0.001 . 2 . . . . 26 LYS HD2 . 15622 1 167 . 1 1 26 26 LYS HG2 H 1 1.560 0.001 . 2 . . . . 26 LYS HG2 . 15622 1 168 . 1 1 26 26 LYS HG3 H 1 1.624 0.001 . 2 . . . . 26 LYS HG3 . 15622 1 169 . 1 1 26 26 LYS N N 15 119.09 0.01 . 1 . . . . 26 LYS N . 15622 1 170 . 1 1 27 27 THR H H 1 8.791 0.001 . 1 . . . . 27 THR H . 15622 1 171 . 1 1 27 27 THR HA H 1 4.835 0.001 . 1 . . . . 27 THR HA . 15622 1 172 . 1 1 27 27 THR HB H 1 4.081 0.001 . 1 . . . . 27 THR HB . 15622 1 173 . 1 1 27 27 THR HG21 H 1 0.898 0.001 . 1 . . . . 27 THR HG . 15622 1 174 . 1 1 27 27 THR HG22 H 1 0.898 0.001 . 1 . . . . 27 THR HG . 15622 1 175 . 1 1 27 27 THR HG23 H 1 0.898 0.001 . 1 . . . . 27 THR HG . 15622 1 176 . 1 1 27 27 THR N N 15 115.27 0.01 . 1 . . . . 27 THR N . 15622 1 177 . 1 1 28 28 GLU H H 1 8.430 0.001 . 1 . . . . 28 GLU H . 15622 1 178 . 1 1 28 28 GLU HA H 1 5.271 0.001 . 1 . . . . 28 GLU HA . 15622 1 179 . 1 1 28 28 GLU HB2 H 1 1.955 0.001 . 2 . . . . 28 GLU HB2 . 15622 1 180 . 1 1 28 28 GLU HB3 H 1 2.090 0.001 . 2 . . . . 28 GLU HB3 . 15622 1 181 . 1 1 28 28 GLU HG2 H 1 2.248 0.001 . 2 . . . . 28 GLU HG2 . 15622 1 182 . 1 1 28 28 GLU HG3 H 1 2.248 0.001 . 2 . . . . 28 GLU HG3 . 15622 1 183 . 1 1 28 28 GLU N N 15 125.52 0.01 . 1 . . . . 28 GLU N . 15622 1 184 . 1 1 29 29 LEU H H 1 7.785 0.001 . 1 . . . . 29 LEU H . 15622 1 185 . 1 1 29 29 LEU HA H 1 3.984 0.001 . 1 . . . . 29 LEU HA . 15622 1 186 . 1 1 29 29 LEU HB2 H 1 1.600 0.001 . 2 . . . . 29 LEU HB2 . 15622 1 187 . 1 1 29 29 LEU HB3 H 1 1.600 0.001 . 2 . . . . 29 LEU HB3 . 15622 1 188 . 1 1 29 29 LEU HD11 H 1 0.973 0.001 . 2 . . . . 29 LEU HD1 . 15622 1 189 . 1 1 29 29 LEU HD12 H 1 0.973 0.001 . 2 . . . . 29 LEU HD1 . 15622 1 190 . 1 1 29 29 LEU HD13 H 1 0.973 0.001 . 2 . . . . 29 LEU HD1 . 15622 1 191 . 1 1 29 29 LEU HD21 H 1 0.856 0.001 . 2 . . . . 29 LEU HD2 . 15622 1 192 . 1 1 29 29 LEU HD22 H 1 0.856 0.001 . 2 . . . . 29 LEU HD2 . 15622 1 193 . 1 1 29 29 LEU HD23 H 1 0.856 0.001 . 2 . . . . 29 LEU HD2 . 15622 1 194 . 1 1 29 29 LEU HG H 1 1.150 0.001 . 1 . . . . 29 LEU HG . 15622 1 195 . 1 1 29 29 LEU N N 15 118.35 0.01 . 1 . . . . 29 LEU N . 15622 1 196 . 1 1 30 30 LEU H H 1 5.227 0.001 . 1 . . . . 30 LEU H . 15622 1 197 . 1 1 30 30 LEU HA H 1 3.173 0.001 . 1 . . . . 30 LEU HA . 15622 1 198 . 1 1 30 30 LEU HB2 H 1 1.830 0.001 . 2 . . . . 30 LEU HB2 . 15622 1 199 . 1 1 30 30 LEU HD11 H 1 0.763 0.001 . 2 . . . . 30 LEU HD1 . 15622 1 200 . 1 1 30 30 LEU HD12 H 1 0.763 0.001 . 2 . . . . 30 LEU HD1 . 15622 1 201 . 1 1 30 30 LEU HD13 H 1 0.763 0.001 . 2 . . . . 30 LEU HD1 . 15622 1 202 . 1 1 30 30 LEU HD21 H 1 0.987 0.001 . 2 . . . . 30 LEU HD2 . 15622 1 203 . 1 1 30 30 LEU HD22 H 1 0.987 0.001 . 2 . . . . 30 LEU HD2 . 15622 1 204 . 1 1 30 30 LEU HD23 H 1 0.987 0.001 . 2 . . . . 30 LEU HD2 . 15622 1 205 . 1 1 30 30 LEU HG H 1 1.210 0.001 . 1 . . . . 30 LEU HG . 15622 1 206 . 1 1 31 31 GLY H H 1 8.762 0.001 . 1 . . . . 31 GLY H . 15622 1 207 . 1 1 31 31 GLY HA2 H 1 3.484 0.001 . 2 . . . . 31 GLY HA2 . 15622 1 208 . 1 1 31 31 GLY HA3 H 1 3.799 0.001 . 2 . . . . 31 GLY HA3 . 15622 1 209 . 1 1 31 31 GLY N N 15 104.31 0.01 . 1 . . . . 31 GLY N . 15622 1 210 . 1 1 32 32 HIS H H 1 7.500 0.001 . 1 . . . . 32 HIS H . 15622 1 211 . 1 1 32 32 HIS HA H 1 4.340 0.001 . 1 . . . . 32 HIS HA . 15622 1 212 . 1 1 32 32 HIS HB2 H 1 2.794 0.001 . 2 . . . . 32 HIS HB2 . 15622 1 213 . 1 1 32 32 HIS HB3 H 1 2.697 0.001 . 2 . . . . 32 HIS HB3 . 15622 1 214 . 1 1 32 32 HIS HD2 H 1 5.770 0.001 . 1 . . . . 32 HIS HD2 . 15622 1 215 . 1 1 32 32 HIS HE1 H 1 7.910 0.001 . 1 . . . . 32 HIS HE1 . 15622 1 216 . 1 1 32 32 HIS N N 15 119.19 0.01 . 1 . . . . 32 HIS N . 15622 1 217 . 1 1 33 33 GLU H H 1 8.750 0.001 . 1 . . . . 33 GLU H . 15622 1 218 . 1 1 33 33 GLU HA H 1 4.479 0.001 . 1 . . . . 33 GLU HA . 15622 1 219 . 1 1 33 33 GLU HB2 H 1 2.078 0.001 . 2 . . . . 33 GLU HB2 . 15622 1 220 . 1 1 33 33 GLU HG2 H 1 2.356 0.001 . 2 . . . . 33 GLU HG2 . 15622 1 221 . 1 1 33 33 GLU N N 15 123.03 0.01 . 1 . . . . 33 GLU N . 15622 1 222 . 1 1 34 34 CYS H H 1 8.530 0.001 . 1 . . . . 34 CYS H . 15622 1 223 . 1 1 34 34 CYS HA H 1 5.144 0.001 . 1 . . . . 34 CYS HA . 15622 1 224 . 1 1 34 34 CYS HB2 H 1 2.630 0.001 . 2 . . . . 34 CYS HB2 . 15622 1 225 . 1 1 34 34 CYS N N 15 126.34 0.01 . 1 . . . . 34 CYS N . 15622 1 226 . 1 1 35 35 LYS H H 1 8.804 0.001 . 1 . . . . 35 LYS H . 15622 1 227 . 1 1 35 35 LYS HA H 1 4.540 0.001 . 1 . . . . 35 LYS HA . 15622 1 228 . 1 1 35 35 LYS HB2 H 1 -0.379 0.001 . 2 . . . . 35 LYS HB2 . 15622 1 229 . 1 1 35 35 LYS HB3 H 1 0.643 0.001 . 2 . . . . 35 LYS HB3 . 15622 1 230 . 1 1 35 35 LYS HD2 H 1 1.577 0.001 . 2 . . . . 35 LYS HD2 . 15622 1 231 . 1 1 35 35 LYS HG2 H 1 1.056 0.001 . 2 . . . . 35 LYS HG2 . 15622 1 232 . 1 1 35 35 LYS N N 15 123.36 0.01 . 1 . . . . 35 LYS N . 15622 1 233 . 1 1 36 36 PHE H H 1 7.735 0.001 . 1 . . . . 36 PHE H . 15622 1 234 . 1 1 36 36 PHE HA H 1 5.535 0.001 . 1 . . . . 36 PHE HA . 15622 1 235 . 1 1 36 36 PHE HB2 H 1 2.802 0.001 . 2 . . . . 36 PHE HB2 . 15622 1 236 . 1 1 36 36 PHE HB3 H 1 2.243 0.001 . 2 . . . . 36 PHE HB3 . 15622 1 237 . 1 1 36 36 PHE HD1 H 1 6.285 0.001 . 3 . . . . 36 PHE HD1 . 15622 1 238 . 1 1 36 36 PHE HD2 H 1 6.285 0.001 . 3 . . . . 36 PHE HD2 . 15622 1 239 . 1 1 36 36 PHE HE1 H 1 7.257 0.001 . 3 . . . . 36 PHE HE1 . 15622 1 240 . 1 1 36 36 PHE HE2 H 1 7.257 0.001 . 3 . . . . 36 PHE HE2 . 15622 1 241 . 1 1 36 36 PHE HZ H 1 7.389 0.001 . 1 . . . . 36 PHE HZ . 15622 1 242 . 1 1 36 36 PHE N N 15 124.21 0.01 . 1 . . . . 36 PHE N . 15622 1 243 . 1 1 37 37 THR H H 1 9.268 0.001 . 1 . . . . 37 THR H . 15622 1 244 . 1 1 37 37 THR HA H 1 5.358 0.001 . 1 . . . . 37 THR HA . 15622 1 245 . 1 1 37 37 THR HB H 1 4.438 0.001 . 1 . . . . 37 THR HB . 15622 1 246 . 1 1 37 37 THR HG21 H 1 1.465 0.001 . 1 . . . . 37 THR HG . 15622 1 247 . 1 1 37 37 THR HG22 H 1 1.465 0.001 . 1 . . . . 37 THR HG . 15622 1 248 . 1 1 37 37 THR HG23 H 1 1.465 0.001 . 1 . . . . 37 THR HG . 15622 1 249 . 1 1 37 37 THR N N 15 117.57 0.01 . 1 . . . . 37 THR N . 15622 1 250 . 1 1 38 38 VAL H H 1 8.880 0.001 . 1 . . . . 38 VAL H . 15622 1 251 . 1 1 38 38 VAL HA H 1 5.137 0.001 . 1 . . . . 38 VAL HA . 15622 1 252 . 1 1 38 38 VAL HB H 1 2.314 0.001 . 1 . . . . 38 VAL HB . 15622 1 253 . 1 1 38 38 VAL HG11 H 1 0.957 0.001 . 2 . . . . 38 VAL HG1 . 15622 1 254 . 1 1 38 38 VAL HG12 H 1 0.957 0.001 . 2 . . . . 38 VAL HG1 . 15622 1 255 . 1 1 38 38 VAL HG13 H 1 0.957 0.001 . 2 . . . . 38 VAL HG1 . 15622 1 256 . 1 1 38 38 VAL HG21 H 1 1.087 0.001 . 2 . . . . 38 VAL HG2 . 15622 1 257 . 1 1 38 38 VAL HG22 H 1 1.087 0.001 . 2 . . . . 38 VAL HG2 . 15622 1 258 . 1 1 38 38 VAL HG23 H 1 1.087 0.001 . 2 . . . . 38 VAL HG2 . 15622 1 259 . 1 1 38 38 VAL N N 15 121.60 0.01 . 1 . . . . 38 VAL N . 15622 1 260 . 1 1 39 39 LYS H H 1 8.916 0.001 . 1 . . . . 39 LYS H . 15622 1 261 . 1 1 39 39 LYS HA H 1 5.372 0.001 . 1 . . . . 39 LYS HA . 15622 1 262 . 1 1 39 39 LYS HB2 H 1 2.050 0.001 . 2 . . . . 39 LYS HB2 . 15622 1 263 . 1 1 39 39 LYS HB3 H 1 1.879 0.001 . 2 . . . . 39 LYS HB3 . 15622 1 264 . 1 1 39 39 LYS HG2 H 1 1.660 0.001 . 2 . . . . 39 LYS HG2 . 15622 1 265 . 1 1 39 39 LYS HG3 H 1 1.660 0.001 . 2 . . . . 39 LYS HG3 . 15622 1 266 . 1 1 39 39 LYS N N 15 126.84 0.01 . 1 . . . . 39 LYS N . 15622 1 267 . 1 1 40 40 PRO HA H 1 5.196 0.001 . 1 . . . . 40 PRO HA . 15622 1 268 . 1 1 40 40 PRO HB2 H 1 1.940 0.001 . 2 . . . . 40 PRO HB2 . 15622 1 269 . 1 1 40 40 PRO HB3 H 1 2.062 0.001 . 2 . . . . 40 PRO HB3 . 15622 1 270 . 1 1 40 40 PRO HD2 H 1 4.074 0.001 . 2 . . . . 40 PRO HD2 . 15622 1 271 . 1 1 40 40 PRO HD3 H 1 3.952 0.001 . 2 . . . . 40 PRO HD3 . 15622 1 272 . 1 1 40 40 PRO HG2 H 1 2.208 0.001 . 2 . . . . 40 PRO HG2 . 15622 1 273 . 1 1 41 41 TYR H H 1 9.193 0.001 . 1 . . . . 41 TYR H . 15622 1 274 . 1 1 41 41 TYR HA H 1 4.704 0.001 . 1 . . . . 41 TYR HA . 15622 1 275 . 1 1 41 41 TYR HB2 H 1 3.010 0.001 . 2 . . . . 41 TYR HB2 . 15622 1 276 . 1 1 41 41 TYR HB3 H 1 2.790 0.001 . 2 . . . . 41 TYR HB3 . 15622 1 277 . 1 1 41 41 TYR HD1 H 1 6.920 0.001 . 3 . . . . 41 TYR HD1 . 15622 1 278 . 1 1 41 41 TYR HD2 H 1 6.920 0.001 . 3 . . . . 41 TYR HD2 . 15622 1 279 . 1 1 41 41 TYR HE1 H 1 6.472 0.001 . 3 . . . . 41 TYR HE1 . 15622 1 280 . 1 1 41 41 TYR HE2 H 1 6.472 0.001 . 3 . . . . 41 TYR HE2 . 15622 1 281 . 1 1 41 41 TYR N N 15 119.64 0.01 . 1 . . . . 41 TYR N . 15622 1 282 . 1 1 42 42 LEU H H 1 8.293 0.001 . 1 . . . . 42 LEU H . 15622 1 283 . 1 1 42 42 LEU HA H 1 4.940 0.001 . 1 . . . . 42 LEU HA . 15622 1 284 . 1 1 42 42 LEU HB2 H 1 1.584 0.001 . 2 . . . . 42 LEU HB2 . 15622 1 285 . 1 1 42 42 LEU HB3 H 1 1.357 0.001 . 2 . . . . 42 LEU HB3 . 15622 1 286 . 1 1 42 42 LEU HD11 H 1 0.722 0.001 . 2 . . . . 42 LEU HD1 . 15622 1 287 . 1 1 42 42 LEU HD12 H 1 0.722 0.001 . 2 . . . . 42 LEU HD1 . 15622 1 288 . 1 1 42 42 LEU HD13 H 1 0.722 0.001 . 2 . . . . 42 LEU HD1 . 15622 1 289 . 1 1 42 42 LEU HD21 H 1 0.825 0.001 . 2 . . . . 42 LEU HD2 . 15622 1 290 . 1 1 42 42 LEU HD22 H 1 0.825 0.001 . 2 . . . . 42 LEU HD2 . 15622 1 291 . 1 1 42 42 LEU HD23 H 1 0.825 0.001 . 2 . . . . 42 LEU HD2 . 15622 1 292 . 1 1 42 42 LEU HG H 1 1.478 0.001 . 1 . . . . 42 LEU HG . 15622 1 293 . 1 1 42 42 LEU N N 15 120.76 0.01 . 1 . . . . 42 LEU N . 15622 1 294 . 1 1 43 43 LYS H H 1 8.862 0.001 . 1 . . . . 43 LYS H . 15622 1 295 . 1 1 43 43 LYS HA H 1 4.360 0.001 . 1 . . . . 43 LYS HA . 15622 1 296 . 1 1 43 43 LYS HB2 H 1 1.343 0.001 . 2 . . . . 43 LYS HB2 . 15622 1 297 . 1 1 43 43 LYS HB3 H 1 1.608 0.001 . 2 . . . . 43 LYS HB3 . 15622 1 298 . 1 1 43 43 LYS HG2 H 1 1.231 0.001 . 2 . . . . 43 LYS HG2 . 15622 1 299 . 1 1 43 43 LYS N N 15 125.07 0.01 . 1 . . . . 43 LYS N . 15622 1 300 . 1 1 44 44 ARG H H 1 9.116 0.001 . 1 . . . . 44 ARG H . 15622 1 301 . 1 1 44 44 ARG HA H 1 3.495 0.001 . 1 . . . . 44 ARG HA . 15622 1 302 . 1 1 44 44 ARG HB2 H 1 1.890 0.001 . 2 . . . . 44 ARG HB2 . 15622 1 303 . 1 1 44 44 ARG HB3 H 1 1.980 0.001 . 2 . . . . 44 ARG HB3 . 15622 1 304 . 1 1 44 44 ARG HD2 H 1 3.197 0.001 . 2 . . . . 44 ARG HD2 . 15622 1 305 . 1 1 44 44 ARG HG2 H 1 1.533 0.001 . 2 . . . . 44 ARG HG2 . 15622 1 306 . 1 1 45 45 PHE H H 1 8.268 0.001 . 1 . . . . 45 PHE H . 15622 1 307 . 1 1 45 45 PHE HA H 1 4.220 0.001 . 1 . . . . 45 PHE HA . 15622 1 308 . 1 1 45 45 PHE HB2 H 1 3.313 0.001 . 2 . . . . 45 PHE HB2 . 15622 1 309 . 1 1 45 45 PHE HB3 H 1 3.490 0.001 . 2 . . . . 45 PHE HB3 . 15622 1 310 . 1 1 45 45 PHE HD1 H 1 7.228 0.001 . 3 . . . . 45 PHE HD1 . 15622 1 311 . 1 1 45 45 PHE HD2 H 1 7.228 0.001 . 3 . . . . 45 PHE HD2 . 15622 1 312 . 1 1 45 45 PHE HE1 H 1 7.380 0.001 . 3 . . . . 45 PHE HE1 . 15622 1 313 . 1 1 45 45 PHE HE2 H 1 7.380 0.001 . 3 . . . . 45 PHE HE2 . 15622 1 314 . 1 1 45 45 PHE HZ H 1 7.340 0.001 . 1 . . . . 45 PHE HZ . 15622 1 315 . 1 1 46 46 GLN H H 1 7.960 0.001 . 1 . . . . 46 GLN H . 15622 1 316 . 1 1 46 46 GLN HA H 1 4.687 0.001 . 1 . . . . 46 GLN HA . 15622 1 317 . 1 1 46 46 GLN HB2 H 1 2.205 0.001 . 2 . . . . 46 GLN HB2 . 15622 1 318 . 1 1 46 46 GLN HB3 H 1 2.080 0.001 . 2 . . . . 46 GLN HB3 . 15622 1 319 . 1 1 46 46 GLN HG2 H 1 2.414 0.001 . 2 . . . . 46 GLN HG2 . 15622 1 320 . 1 1 46 46 GLN N N 15 120.20 0.01 . 1 . . . . 46 GLN N . 15622 1 321 . 1 1 47 47 VAL H H 1 8.390 0.001 . 1 . . . . 47 VAL H . 15622 1 322 . 1 1 47 47 VAL HA H 1 4.181 0.001 . 1 . . . . 47 VAL HA . 15622 1 323 . 1 1 47 47 VAL HB H 1 1.844 0.001 . 1 . . . . 47 VAL HB . 15622 1 324 . 1 1 47 47 VAL HG11 H 1 0.603 0.001 . 2 . . . . 47 VAL HG1 . 15622 1 325 . 1 1 47 47 VAL HG12 H 1 0.603 0.001 . 2 . . . . 47 VAL HG1 . 15622 1 326 . 1 1 47 47 VAL HG13 H 1 0.603 0.001 . 2 . . . . 47 VAL HG1 . 15622 1 327 . 1 1 47 47 VAL HG21 H 1 0.902 0.001 . 2 . . . . 47 VAL HG2 . 15622 1 328 . 1 1 47 47 VAL HG22 H 1 0.902 0.001 . 2 . . . . 47 VAL HG2 . 15622 1 329 . 1 1 47 47 VAL HG23 H 1 0.902 0.001 . 2 . . . . 47 VAL HG2 . 15622 1 330 . 1 1 47 47 VAL N N 15 124.23 0.01 . 1 . . . . 47 VAL N . 15622 1 331 . 1 1 48 48 TYR H H 1 8.758 0.001 . 1 . . . . 48 TYR H . 15622 1 332 . 1 1 48 48 TYR HA H 1 4.479 0.001 . 1 . . . . 48 TYR HA . 15622 1 333 . 1 1 48 48 TYR HB2 H 1 2.467 0.001 . 2 . . . . 48 TYR HB2 . 15622 1 334 . 1 1 48 48 TYR HB3 H 1 1.767 0.001 . 2 . . . . 48 TYR HB3 . 15622 1 335 . 1 1 48 48 TYR HD1 H 1 6.826 0.001 . 3 . . . . 48 TYR HD1 . 15622 1 336 . 1 1 48 48 TYR HD2 H 1 6.826 0.001 . 3 . . . . 48 TYR HD2 . 15622 1 337 . 1 1 48 48 TYR HE1 H 1 6.742 0.001 . 3 . . . . 48 TYR HE1 . 15622 1 338 . 1 1 48 48 TYR HE2 H 1 6.742 0.001 . 3 . . . . 48 TYR HE2 . 15622 1 339 . 1 1 48 48 TYR N N 15 128.70 0.01 . 1 . . . . 48 TYR N . 15622 1 340 . 1 1 49 49 TYR H H 1 8.833 0.001 . 1 . . . . 49 TYR H . 15622 1 341 . 1 1 49 49 TYR HA H 1 4.966 0.001 . 1 . . . . 49 TYR HA . 15622 1 342 . 1 1 49 49 TYR HB2 H 1 2.674 0.001 . 2 . . . . 49 TYR HB2 . 15622 1 343 . 1 1 49 49 TYR HB3 H 1 2.735 0.001 . 2 . . . . 49 TYR HB3 . 15622 1 344 . 1 1 49 49 TYR HD1 H 1 6.771 0.001 . 3 . . . . 49 TYR HD1 . 15622 1 345 . 1 1 49 49 TYR HD2 H 1 6.771 0.001 . 3 . . . . 49 TYR HD2 . 15622 1 346 . 1 1 49 49 TYR HE1 H 1 6.771 0.001 . 3 . . . . 49 TYR HE1 . 15622 1 347 . 1 1 49 49 TYR HE2 H 1 6.771 0.001 . 3 . . . . 49 TYR HE2 . 15622 1 348 . 1 1 49 49 TYR N N 15 115.27 0.01 . 1 . . . . 49 TYR N . 15622 1 349 . 1 1 50 50 LYS H H 1 9.180 0.001 . 1 . . . . 50 LYS H . 15622 1 350 . 1 1 50 50 LYS HA H 1 5.481 0.001 . 1 . . . . 50 LYS HA . 15622 1 351 . 1 1 50 50 LYS HB2 H 1 1.967 0.001 . 2 . . . . 50 LYS HB2 . 15622 1 352 . 1 1 50 50 LYS HB3 H 1 1.777 0.001 . 2 . . . . 50 LYS HB3 . 15622 1 353 . 1 1 50 50 LYS HD2 H 1 1.421 0.001 . 2 . . . . 50 LYS HD2 . 15622 1 354 . 1 1 50 50 LYS HD3 H 1 1.421 0.001 . 2 . . . . 50 LYS HD3 . 15622 1 355 . 1 1 50 50 LYS HG2 H 1 1.337 0.001 . 2 . . . . 50 LYS HG2 . 15622 1 356 . 1 1 50 50 LYS HG3 H 1 1.337 0.001 . 2 . . . . 50 LYS HG3 . 15622 1 357 . 1 1 50 50 LYS N N 15 122.17 0.01 . 1 . . . . 50 LYS N . 15622 1 358 . 1 1 51 51 GLY H H 1 9.472 0.001 . 1 . . . . 51 GLY H . 15622 1 359 . 1 1 51 51 GLY HA2 H 1 3.938 0.001 . 2 . . . . 51 GLY HA2 . 15622 1 360 . 1 1 51 51 GLY HA3 H 1 5.549 0.001 . 2 . . . . 51 GLY HA3 . 15622 1 361 . 1 1 51 51 GLY N N 15 117.98 0.001 . 1 . . . . 51 GLY N . 15622 1 362 . 1 1 52 52 ARG H H 1 8.857 0.001 . 1 . . . . 52 ARG H . 15622 1 363 . 1 1 52 52 ARG HA H 1 5.265 0.001 . 1 . . . . 52 ARG HA . 15622 1 364 . 1 1 52 52 ARG HB2 H 1 1.928 0.001 . 2 . . . . 52 ARG HB2 . 15622 1 365 . 1 1 52 52 ARG HB3 H 1 1.783 0.001 . 2 . . . . 52 ARG HB3 . 15622 1 366 . 1 1 52 52 ARG HD2 H 1 2.981 0.001 . 2 . . . . 52 ARG HD2 . 15622 1 367 . 1 1 52 52 ARG HD3 H 1 2.889 0.001 . 2 . . . . 52 ARG HD3 . 15622 1 368 . 1 1 52 52 ARG HG2 H 1 1.593 0.001 . 2 . . . . 52 ARG HG2 . 15622 1 369 . 1 1 52 52 ARG HG3 H 1 1.603 0.001 . 2 . . . . 52 ARG HG3 . 15622 1 370 . 1 1 52 52 ARG N N 15 123.15 0.01 . 1 . . . . 52 ARG N . 15622 1 371 . 1 1 53 53 MET H H 1 8.853 0.001 . 1 . . . . 53 MET H . 15622 1 372 . 1 1 53 53 MET HA H 1 5.593 0.001 . 1 . . . . 53 MET HA . 15622 1 373 . 1 1 53 53 MET HB2 H 1 2.355 0.001 . 2 . . . . 53 MET HB2 . 15622 1 374 . 1 1 53 53 MET HB3 H 1 1.567 0.001 . 2 . . . . 53 MET HB3 . 15622 1 375 . 1 1 53 53 MET HG2 H 1 1.362 0.001 . 2 . . . . 53 MET HG2 . 15622 1 376 . 1 1 53 53 MET HG3 H 1 1.275 0.001 . 2 . . . . 53 MET HG3 . 15622 1 377 . 1 1 53 53 MET N N 15 121.71 0.01 . 1 . . . . 53 MET N . 15622 1 378 . 1 1 54 54 TRP H H 1 9.073 0.001 . 1 . . . . 54 TRP H . 15622 1 379 . 1 1 54 54 TRP HA H 1 5.177 0.001 . 1 . . . . 54 TRP HA . 15622 1 380 . 1 1 54 54 TRP HB2 H 1 3.618 0.001 . 2 . . . . 54 TRP HB2 . 15622 1 381 . 1 1 54 54 TRP HB3 H 1 3.452 0.001 . 2 . . . . 54 TRP HB3 . 15622 1 382 . 1 1 54 54 TRP HD1 H 1 7.254 0.001 . 1 . . . . 54 TRP HD1 . 15622 1 383 . 1 1 54 54 TRP HE1 H 1 10.473 0.001 . 1 . . . . 54 TRP HE1 . 15622 1 384 . 1 1 54 54 TRP HE3 H 1 7.220 0.001 . 1 . . . . 54 TRP HE3 . 15622 1 385 . 1 1 54 54 TRP HH2 H 1 7.242 0.001 . 1 . . . . 54 TRP HH2 . 15622 1 386 . 1 1 54 54 TRP HZ2 H 1 7.522 0.001 . 1 . . . . 54 TRP HZ2 . 15622 1 387 . 1 1 54 54 TRP HZ3 H 1 7.095 0.001 . 1 . . . . 54 TRP HZ3 . 15622 1 388 . 1 1 54 54 TRP N N 15 128.28 0.01 . 1 . . . . 54 TRP N . 15622 1 389 . 1 1 54 54 TRP NE1 N 15 129.30 0.01 . 1 . . . . 54 TRP NE1 . 15622 1 390 . 1 1 55 55 CYS H H 1 10.480 0.001 . 1 . . . . 55 CYS H . 15622 1 391 . 1 1 55 55 CYS HA H 1 5.234 0.001 . 1 . . . . 55 CYS HA . 15622 1 392 . 1 1 55 55 CYS HB2 H 1 3.440 0.001 . 2 . . . . 55 CYS HB2 . 15622 1 393 . 1 1 55 55 CYS N N 15 122.09 0.01 . 1 . . . . 55 CYS N . 15622 1 394 . 1 1 56 56 PRO HA H 1 4.623 0.001 . 1 . . . . 56 PRO HA . 15622 1 395 . 1 1 56 56 PRO HB2 H 1 2.573 0.001 . 2 . . . . 56 PRO HB2 . 15622 1 396 . 1 1 56 56 PRO HB3 H 1 2.170 0.001 . 2 . . . . 56 PRO HB3 . 15622 1 397 . 1 1 56 56 PRO HD2 H 1 3.851 0.001 . 2 . . . . 56 PRO HD2 . 15622 1 398 . 1 1 56 56 PRO HD3 H 1 3.659 0.001 . 2 . . . . 56 PRO HD3 . 15622 1 399 . 1 1 56 56 PRO HG2 H 1 2.233 0.001 . 2 . . . . 56 PRO HG2 . 15622 1 400 . 1 1 56 56 PRO HG3 H 1 2.149 0.001 . 2 . . . . 56 PRO HG3 . 15622 1 401 . 1 1 57 57 GLY H H 1 9.054 0.001 . 1 . . . . 57 GLY H . 15622 1 402 . 1 1 57 57 GLY HA2 H 1 4.512 0.001 . 2 . . . . 57 GLY HA2 . 15622 1 403 . 1 1 57 57 GLY HA3 H 1 3.829 0.001 . 2 . . . . 57 GLY HA3 . 15622 1 404 . 1 1 58 58 TRP H H 1 7.940 0.001 . 1 . . . . 58 TRP H . 15622 1 405 . 1 1 58 58 TRP HA H 1 5.147 0.001 . 1 . . . . 58 TRP HA . 15622 1 406 . 1 1 58 58 TRP HB2 H 1 2.820 0.001 . 2 . . . . 58 TRP HB2 . 15622 1 407 . 1 1 58 58 TRP HB3 H 1 3.185 0.001 . 2 . . . . 58 TRP HB3 . 15622 1 408 . 1 1 58 58 TRP HD1 H 1 7.180 0.001 . 1 . . . . 58 TRP HD1 . 15622 1 409 . 1 1 58 58 TRP HE1 H 1 10.199 0.001 . 1 . . . . 58 TRP HE1 . 15622 1 410 . 1 1 58 58 TRP HE3 H 1 7.111 0.001 . 1 . . . . 58 TRP HE3 . 15622 1 411 . 1 1 58 58 TRP HH2 H 1 6.616 0.001 . 1 . . . . 58 TRP HH2 . 15622 1 412 . 1 1 58 58 TRP HZ2 H 1 7.221 0.001 . 1 . . . . 58 TRP HZ2 . 15622 1 413 . 1 1 58 58 TRP HZ3 H 1 6.783 0.001 . 1 . . . . 58 TRP HZ3 . 15622 1 414 . 1 1 58 58 TRP N N 15 120.96 0.01 . 1 . . . . 58 TRP N . 15622 1 415 . 1 1 58 58 TRP NE1 N 15 130.02 0.01 . 1 . . . . 58 TRP NE1 . 15622 1 416 . 1 1 59 59 THR H H 1 7.412 0.001 . 1 . . . . 59 THR H . 15622 1 417 . 1 1 59 59 THR HA H 1 4.540 0.001 . 1 . . . . 59 THR HA . 15622 1 418 . 1 1 59 59 THR HB H 1 3.361 0.001 . 1 . . . . 59 THR HB . 15622 1 419 . 1 1 59 59 THR HG21 H 1 0.693 0.001 . 1 . . . . 59 THR HG . 15622 1 420 . 1 1 59 59 THR HG22 H 1 0.693 0.001 . 1 . . . . 59 THR HG . 15622 1 421 . 1 1 59 59 THR HG23 H 1 0.693 0.001 . 1 . . . . 59 THR HG . 15622 1 422 . 1 1 59 59 THR N N 15 109.19 0.01 . 1 . . . . 59 THR N . 15622 1 423 . 1 1 60 60 ALA H H 1 8.524 0.001 . 1 . . . . 60 ALA H . 15622 1 424 . 1 1 60 60 ALA HA H 1 4.522 0.001 . 1 . . . . 60 ALA HA . 15622 1 425 . 1 1 60 60 ALA HB1 H 1 1.440 0.001 . 1 . . . . 60 ALA HB . 15622 1 426 . 1 1 60 60 ALA HB2 H 1 1.440 0.001 . 1 . . . . 60 ALA HB . 15622 1 427 . 1 1 60 60 ALA HB3 H 1 1.440 0.001 . 1 . . . . 60 ALA HB . 15622 1 428 . 1 1 61 61 ILE H H 1 7.858 0.001 . 1 . . . . 61 ILE H . 15622 1 429 . 1 1 61 61 ILE HA H 1 3.644 0.001 . 1 . . . . 61 ILE HA . 15622 1 430 . 1 1 61 61 ILE HB H 1 1.197 0.001 . 1 . . . . 61 ILE HB . 15622 1 431 . 1 1 61 61 ILE HD11 H 1 0.795 0.001 . 1 . . . . 61 ILE HD1 . 15622 1 432 . 1 1 61 61 ILE HD12 H 1 0.795 0.001 . 1 . . . . 61 ILE HD1 . 15622 1 433 . 1 1 61 61 ILE HD13 H 1 0.795 0.001 . 1 . . . . 61 ILE HD1 . 15622 1 434 . 1 1 61 61 ILE HG12 H 1 1.279 0.001 . 2 . . . . 61 ILE HG12 . 15622 1 435 . 1 1 61 61 ILE HG13 H 1 1.279 0.001 . 2 . . . . 61 ILE HG13 . 15622 1 436 . 1 1 61 61 ILE HG21 H 1 0.253 0.001 . 1 . . . . 61 ILE HG2 . 15622 1 437 . 1 1 61 61 ILE HG22 H 1 0.253 0.001 . 1 . . . . 61 ILE HG2 . 15622 1 438 . 1 1 61 61 ILE HG23 H 1 0.253 0.001 . 1 . . . . 61 ILE HG2 . 15622 1 439 . 1 1 61 61 ILE N N 15 121.87 0.01 . 1 . . . . 61 ILE N . 15622 1 440 . 1 1 62 62 ARG H H 1 8.208 0.001 . 1 . . . . 62 ARG H . 15622 1 441 . 1 1 62 62 ARG HA H 1 5.460 0.001 . 1 . . . . 62 ARG HA . 15622 1 442 . 1 1 62 62 ARG HB2 H 1 1.893 0.001 . 2 . . . . 62 ARG HB2 . 15622 1 443 . 1 1 62 62 ARG HB3 H 1 1.751 0.001 . 2 . . . . 62 ARG HB3 . 15622 1 444 . 1 1 62 62 ARG HG2 H 1 1.748 0.001 . 2 . . . . 62 ARG HG2 . 15622 1 445 . 1 1 62 62 ARG HG3 H 1 1.630 0.001 . 2 . . . . 62 ARG HG3 . 15622 1 446 . 1 1 62 62 ARG N N 15 124.13 0.01 . 1 . . . . 62 ARG N . 15622 1 447 . 1 1 63 63 GLY H H 1 9.657 0.001 . 1 . . . . 63 GLY H . 15622 1 448 . 1 1 63 63 GLY HA2 H 1 3.473 0.001 . 2 . . . . 63 GLY HA2 . 15622 1 449 . 1 1 63 63 GLY HA3 H 1 5.174 0.001 . 2 . . . . 63 GLY HA3 . 15622 1 450 . 1 1 63 63 GLY N N 15 109.86 0.01 . 1 . . . . 63 GLY N . 15622 1 451 . 1 1 64 64 GLU H H 1 9.770 0.001 . 1 . . . . 64 GLU H . 15622 1 452 . 1 1 64 64 GLU HA H 1 5.316 0.001 . 1 . . . . 64 GLU HA . 15622 1 453 . 1 1 64 64 GLU HB2 H 1 1.972 0.001 . 2 . . . . 64 GLU HB2 . 15622 1 454 . 1 1 64 64 GLU HG2 H 1 2.202 0.001 . 2 . . . . 64 GLU HG2 . 15622 1 455 . 1 1 64 64 GLU N N 15 124.78 0.01 . 1 . . . . 64 GLU N . 15622 1 456 . 1 1 65 65 ALA H H 1 8.113 0.001 . 1 . . . . 65 ALA H . 15622 1 457 . 1 1 65 65 ALA HA H 1 4.610 0.001 . 1 . . . . 65 ALA HA . 15622 1 458 . 1 1 65 65 ALA HB1 H 1 1.350 0.001 . 1 . . . . 65 ALA HB . 15622 1 459 . 1 1 65 65 ALA HB2 H 1 1.350 0.001 . 1 . . . . 65 ALA HB . 15622 1 460 . 1 1 65 65 ALA HB3 H 1 1.350 0.001 . 1 . . . . 65 ALA HB . 15622 1 461 . 1 1 65 65 ALA N N 15 122.11 0.001 . 1 . . . . 65 ALA N . 15622 1 462 . 1 1 66 66 SER H H 1 8.465 0.001 . 1 . . . . 66 SER H . 15622 1 463 . 1 1 66 66 SER HA H 1 6.037 0.001 . 1 . . . . 66 SER HA . 15622 1 464 . 1 1 66 66 SER HB2 H 1 3.905 0.001 . 2 . . . . 66 SER HB2 . 15622 1 465 . 1 1 66 66 SER HB3 H 1 3.905 0.001 . 2 . . . . 66 SER HB3 . 15622 1 466 . 1 1 66 66 SER N N 15 113.98 0.01 . 1 . . . . 66 SER N . 15622 1 467 . 1 1 67 67 THR H H 1 8.862 0.001 . 1 . . . . 67 THR H . 15622 1 468 . 1 1 67 67 THR HA H 1 5.063 0.001 . 1 . . . . 67 THR HA . 15622 1 469 . 1 1 67 67 THR HB H 1 4.731 0.001 . 1 . . . . 67 THR HB . 15622 1 470 . 1 1 67 67 THR HG21 H 1 1.228 0.001 . 1 . . . . 67 THR HG . 15622 1 471 . 1 1 67 67 THR HG22 H 1 1.228 0.001 . 1 . . . . 67 THR HG . 15622 1 472 . 1 1 67 67 THR HG23 H 1 1.228 0.001 . 1 . . . . 67 THR HG . 15622 1 473 . 1 1 67 67 THR N N 15 117.29 0.01 . 1 . . . . 67 THR N . 15622 1 474 . 1 1 68 68 ARG H H 1 8.675 0.001 . 1 . . . . 68 ARG H . 15622 1 475 . 1 1 68 68 ARG HA H 1 4.259 0.001 . 1 . . . . 68 ARG HA . 15622 1 476 . 1 1 68 68 ARG N N 15 119.41 0.01 . 1 . . . . 68 ARG N . 15622 1 477 . 1 1 69 69 SER H H 1 8.060 0.001 . 1 . . . . 69 SER H . 15622 1 478 . 1 1 69 69 SER HA H 1 4.695 0.001 . 1 . . . . 69 SER HA . 15622 1 479 . 1 1 69 69 SER HB2 H 1 3.874 0.001 . 2 . . . . 69 SER HB2 . 15622 1 480 . 1 1 69 69 SER HB3 H 1 3.960 0.001 . 2 . . . . 69 SER HB3 . 15622 1 481 . 1 1 70 70 GLN H H 1 8.740 0.001 . 1 . . . . 70 GLN H . 15622 1 482 . 1 1 70 70 GLN HA H 1 3.033 0.001 . 1 . . . . 70 GLN HA . 15622 1 483 . 1 1 71 71 SER H H 1 8.195 0.001 . 1 . . . . 71 SER H . 15622 1 484 . 1 1 71 71 SER HB2 H 1 3.910 0.001 . 2 . . . . 71 SER HB2 . 15622 1 485 . 1 1 72 72 GLY H H 1 8.203 0.001 . 1 . . . . 72 GLY H . 15622 1 486 . 1 1 72 72 GLY HA2 H 1 3.977 0.001 . 2 . . . . 72 GLY HA2 . 15622 1 487 . 1 1 72 72 GLY HA3 H 1 4.257 0.001 . 2 . . . . 72 GLY HA3 . 15622 1 488 . 1 1 73 73 VAL H H 1 7.594 0.001 . 1 . . . . 73 VAL H . 15622 1 489 . 1 1 73 73 VAL HA H 1 3.803 0.001 . 1 . . . . 73 VAL HA . 15622 1 490 . 1 1 73 73 VAL HB H 1 2.410 0.001 . 1 . . . . 73 VAL HB . 15622 1 491 . 1 1 73 73 VAL HG11 H 1 1.042 0.001 . 2 . . . . 73 VAL HG1 . 15622 1 492 . 1 1 73 73 VAL HG12 H 1 1.042 0.001 . 2 . . . . 73 VAL HG1 . 15622 1 493 . 1 1 73 73 VAL HG13 H 1 1.042 0.001 . 2 . . . . 73 VAL HG1 . 15622 1 494 . 1 1 73 73 VAL HG21 H 1 1.016 0.001 . 2 . . . . 73 VAL HG2 . 15622 1 495 . 1 1 73 73 VAL HG22 H 1 1.016 0.001 . 2 . . . . 73 VAL HG2 . 15622 1 496 . 1 1 73 73 VAL HG23 H 1 1.016 0.001 . 2 . . . . 73 VAL HG2 . 15622 1 497 . 1 1 73 73 VAL N N 15 120.89 0.001 . 1 . . . . 73 VAL N . 15622 1 498 . 1 1 74 74 ALA H H 1 8.509 0.001 . 1 . . . . 74 ALA H . 15622 1 499 . 1 1 74 74 ALA HA H 1 3.943 0.001 . 1 . . . . 74 ALA HA . 15622 1 500 . 1 1 74 74 ALA HB1 H 1 1.424 0.001 . 1 . . . . 74 ALA HB . 15622 1 501 . 1 1 74 74 ALA HB2 H 1 1.424 0.001 . 1 . . . . 74 ALA HB . 15622 1 502 . 1 1 74 74 ALA HB3 H 1 1.424 0.001 . 1 . . . . 74 ALA HB . 15622 1 503 . 1 1 74 74 ALA N N 15 129.25 0.01 . 1 . . . . 74 ALA N . 15622 1 504 . 1 1 75 75 GLY H H 1 8.561 0.001 . 1 . . . . 75 GLY H . 15622 1 505 . 1 1 75 75 GLY HA2 H 1 3.741 0.001 . 2 . . . . 75 GLY HA2 . 15622 1 506 . 1 1 75 75 GLY HA3 H 1 4.017 0.001 . 2 . . . . 75 GLY HA3 . 15622 1 507 . 1 1 75 75 GLY N N 15 105.81 0.01 . 1 . . . . 75 GLY N . 15622 1 508 . 1 1 76 76 LYS H H 1 7.704 0.001 . 1 . . . . 76 LYS H . 15622 1 509 . 1 1 76 76 LYS HA H 1 4.008 0.001 . 1 . . . . 76 LYS HA . 15622 1 510 . 1 1 76 76 LYS HB2 H 1 1.816 0.001 . 2 . . . . 76 LYS HB2 . 15622 1 511 . 1 1 76 76 LYS HB3 H 1 1.760 0.001 . 2 . . . . 76 LYS HB3 . 15622 1 512 . 1 1 76 76 LYS HG2 H 1 1.678 0.001 . 2 . . . . 76 LYS HG2 . 15622 1 513 . 1 1 76 76 LYS HG3 H 1 1.543 0.001 . 2 . . . . 76 LYS HG3 . 15622 1 514 . 1 1 76 76 LYS N N 15 120.19 0.01 . 1 . . . . 76 LYS N . 15622 1 515 . 1 1 77 77 THR H H 1 8.172 0.001 . 1 . . . . 77 THR H . 15622 1 516 . 1 1 77 77 THR HA H 1 4.336 0.001 . 1 . . . . 77 THR HA . 15622 1 517 . 1 1 77 77 THR HB H 1 3.407 0.001 . 1 . . . . 77 THR HB . 15622 1 518 . 1 1 77 77 THR HG21 H 1 0.485 0.001 . 1 . . . . 77 THR HG . 15622 1 519 . 1 1 77 77 THR HG22 H 1 0.485 0.001 . 1 . . . . 77 THR HG . 15622 1 520 . 1 1 77 77 THR HG23 H 1 0.485 0.001 . 1 . . . . 77 THR HG . 15622 1 521 . 1 1 77 77 THR N N 15 119.79 0.01 . 1 . . . . 77 THR N . 15622 1 522 . 1 1 78 78 ALA H H 1 8.113 0.001 . 1 . . . . 78 ALA H . 15622 1 523 . 1 1 78 78 ALA HA H 1 4.185 0.001 . 1 . . . . 78 ALA HA . 15622 1 524 . 1 1 78 78 ALA HB1 H 1 1.552 0.001 . 1 . . . . 78 ALA HB . 15622 1 525 . 1 1 78 78 ALA HB2 H 1 1.552 0.001 . 1 . . . . 78 ALA HB . 15622 1 526 . 1 1 78 78 ALA HB3 H 1 1.552 0.001 . 1 . . . . 78 ALA HB . 15622 1 527 . 1 1 78 78 ALA N N 15 122.96 0.01 . 1 . . . . 78 ALA N . 15622 1 528 . 1 1 79 79 LYS H H 1 8.344 0.001 . 1 . . . . 79 LYS H . 15622 1 529 . 1 1 79 79 LYS HA H 1 3.830 0.001 . 1 . . . . 79 LYS HA . 15622 1 530 . 1 1 79 79 LYS HB2 H 1 1.916 0.001 . 2 . . . . 79 LYS HB2 . 15622 1 531 . 1 1 79 79 LYS HB3 H 1 1.916 0.001 . 2 . . . . 79 LYS HB3 . 15622 1 532 . 1 1 79 79 LYS HD2 H 1 1.729 0.001 . 2 . . . . 79 LYS HD2 . 15622 1 533 . 1 1 79 79 LYS HD3 H 1 1.729 0.001 . 2 . . . . 79 LYS HD3 . 15622 1 534 . 1 1 79 79 LYS HG2 H 1 1.428 0.001 . 2 . . . . 79 LYS HG2 . 15622 1 535 . 1 1 79 79 LYS HG3 H 1 1.428 0.001 . 2 . . . . 79 LYS HG3 . 15622 1 536 . 1 1 79 79 LYS N N 15 116.41 0.01 . 1 . . . . 79 LYS N . 15622 1 537 . 1 1 80 80 ASP H H 1 7.733 0.001 . 1 . . . . 80 ASP H . 15622 1 538 . 1 1 80 80 ASP HA H 1 4.514 0.001 . 1 . . . . 80 ASP HA . 15622 1 539 . 1 1 80 80 ASP HB2 H 1 2.919 0.001 . 2 . . . . 80 ASP HB2 . 15622 1 540 . 1 1 80 80 ASP HB3 H 1 2.983 0.001 . 2 . . . . 80 ASP HB3 . 15622 1 541 . 1 1 80 80 ASP N N 15 119.36 0.01 . 1 . . . . 80 ASP N . 15622 1 542 . 1 1 81 81 PHE H H 1 7.828 0.001 . 1 . . . . 81 PHE H . 15622 1 543 . 1 1 81 81 PHE HA H 1 3.527 0.001 . 1 . . . . 81 PHE HA . 15622 1 544 . 1 1 81 81 PHE HB2 H 1 3.442 0.001 . 2 . . . . 81 PHE HB2 . 15622 1 545 . 1 1 81 81 PHE HB3 H 1 2.768 0.001 . 2 . . . . 81 PHE HB3 . 15622 1 546 . 1 1 81 81 PHE HD1 H 1 6.732 0.001 . 3 . . . . 81 PHE HD1 . 15622 1 547 . 1 1 81 81 PHE HD2 H 1 6.732 0.001 . 3 . . . . 81 PHE HD2 . 15622 1 548 . 1 1 81 81 PHE HE1 H 1 6.912 0.001 . 3 . . . . 81 PHE HE1 . 15622 1 549 . 1 1 81 81 PHE HE2 H 1 6.912 0.001 . 3 . . . . 81 PHE HE2 . 15622 1 550 . 1 1 81 81 PHE HZ H 1 6.587 0.001 . 1 . . . . 81 PHE HZ . 15622 1 551 . 1 1 81 81 PHE N N 15 116.75 0.01 . 1 . . . . 81 PHE N . 15622 1 552 . 1 1 82 82 VAL H H 1 8.486 0.001 . 1 . . . . 82 VAL H . 15622 1 553 . 1 1 82 82 VAL HA H 1 3.276 0.001 . 1 . . . . 82 VAL HA . 15622 1 554 . 1 1 82 82 VAL HB H 1 2.187 0.001 . 1 . . . . 82 VAL HB . 15622 1 555 . 1 1 82 82 VAL HG11 H 1 1.073 0.001 . 2 . . . . 82 VAL HG1 . 15622 1 556 . 1 1 82 82 VAL HG12 H 1 1.073 0.001 . 2 . . . . 82 VAL HG1 . 15622 1 557 . 1 1 82 82 VAL HG13 H 1 1.073 0.001 . 2 . . . . 82 VAL HG1 . 15622 1 558 . 1 1 82 82 VAL HG21 H 1 1.161 0.001 . 2 . . . . 82 VAL HG2 . 15622 1 559 . 1 1 82 82 VAL HG22 H 1 1.161 0.001 . 2 . . . . 82 VAL HG2 . 15622 1 560 . 1 1 82 82 VAL HG23 H 1 1.161 0.001 . 2 . . . . 82 VAL HG2 . 15622 1 561 . 1 1 82 82 VAL N N 15 116.80 0.01 . 1 . . . . 82 VAL N . 15622 1 562 . 1 1 83 83 ARG H H 1 8.720 0.001 . 1 . . . . 83 ARG H . 15622 1 563 . 1 1 83 83 ARG HA H 1 4.003 0.001 . 1 . . . . 83 ARG HA . 15622 1 564 . 1 1 83 83 ARG HB2 H 1 2.081 0.001 . 2 . . . . 83 ARG HB2 . 15622 1 565 . 1 1 83 83 ARG HB3 H 1 1.947 0.001 . 2 . . . . 83 ARG HB3 . 15622 1 566 . 1 1 83 83 ARG HG2 H 1 1.673 0.001 . 2 . . . . 83 ARG HG2 . 15622 1 567 . 1 1 83 83 ARG N N 15 118.58 0.01 . 1 . . . . 83 ARG N . 15622 1 568 . 1 1 84 84 LYS H H 1 7.404 0.001 . 1 . . . . 84 LYS H . 15622 1 569 . 1 1 84 84 LYS HA H 1 3.909 0.001 . 1 . . . . 84 LYS HA . 15622 1 570 . 1 1 84 84 LYS HB2 H 1 1.615 0.001 . 2 . . . . 84 LYS HB2 . 15622 1 571 . 1 1 84 84 LYS HB3 H 1 1.615 0.001 . 2 . . . . 84 LYS HB3 . 15622 1 572 . 1 1 84 84 LYS HD2 H 1 1.493 0.001 . 2 . . . . 84 LYS HD2 . 15622 1 573 . 1 1 84 84 LYS HD3 H 1 1.493 0.001 . 2 . . . . 84 LYS HD3 . 15622 1 574 . 1 1 84 84 LYS HG2 H 1 1.345 0.001 . 2 . . . . 84 LYS HG2 . 15622 1 575 . 1 1 84 84 LYS HG3 H 1 1.345 0.001 . 2 . . . . 84 LYS HG3 . 15622 1 576 . 1 1 84 84 LYS N N 15 118.76 0.01 . 1 . . . . 84 LYS N . 15622 1 577 . 1 1 85 85 ALA H H 1 8.483 0.001 . 1 . . . . 85 ALA H . 15622 1 578 . 1 1 85 85 ALA HA H 1 3.542 0.001 . 1 . . . . 85 ALA HA . 15622 1 579 . 1 1 85 85 ALA HB1 H 1 0.990 0.001 . 1 . . . . 85 ALA HB . 15622 1 580 . 1 1 85 85 ALA HB2 H 1 0.990 0.001 . 1 . . . . 85 ALA HB . 15622 1 581 . 1 1 85 85 ALA HB3 H 1 0.990 0.001 . 1 . . . . 85 ALA HB . 15622 1 582 . 1 1 85 85 ALA N N 15 121.51 0.01 . 1 . . . . 85 ALA N . 15622 1 583 . 1 1 86 86 PHE H H 1 8.529 0.001 . 1 . . . . 86 PHE H . 15622 1 584 . 1 1 86 86 PHE HA H 1 4.330 0.001 . 1 . . . . 86 PHE HA . 15622 1 585 . 1 1 86 86 PHE HB2 H 1 2.578 0.001 . 2 . . . . 86 PHE HB2 . 15622 1 586 . 1 1 86 86 PHE HB3 H 1 2.101 0.001 . 2 . . . . 86 PHE HB3 . 15622 1 587 . 1 1 86 86 PHE HD1 H 1 7.098 0.001 . 3 . . . . 86 PHE HD1 . 15622 1 588 . 1 1 86 86 PHE HD2 H 1 7.098 0.001 . 3 . . . . 86 PHE HD2 . 15622 1 589 . 1 1 86 86 PHE HE1 H 1 6.921 0.001 . 3 . . . . 86 PHE HE1 . 15622 1 590 . 1 1 86 86 PHE HE2 H 1 6.921 0.001 . 3 . . . . 86 PHE HE2 . 15622 1 591 . 1 1 86 86 PHE HZ H 1 6.880 0.001 . 1 . . . . 86 PHE HZ . 15622 1 592 . 1 1 86 86 PHE N N 15 118.07 0.01 . 1 . . . . 86 PHE N . 15622 1 593 . 1 1 87 87 GLN H H 1 8.254 0.001 . 1 . . . . 87 GLN H . 15622 1 594 . 1 1 87 87 GLN HA H 1 3.987 0.001 . 1 . . . . 87 GLN HA . 15622 1 595 . 1 1 87 87 GLN HB2 H 1 2.121 0.001 . 2 . . . . 87 GLN HB2 . 15622 1 596 . 1 1 87 87 GLN HB3 H 1 2.294 0.001 . 2 . . . . 87 GLN HB3 . 15622 1 597 . 1 1 87 87 GLN HG2 H 1 2.666 0.001 . 2 . . . . 87 GLN HG2 . 15622 1 598 . 1 1 87 87 GLN HG3 H 1 2.450 0.001 . 2 . . . . 87 GLN HG3 . 15622 1 599 . 1 1 87 87 GLN N N 15 120.89 0.01 . 1 . . . . 87 GLN N . 15622 1 600 . 1 1 88 88 LYS H H 1 7.946 0.001 . 1 . . . . 88 LYS H . 15622 1 601 . 1 1 88 88 LYS HA H 1 4.320 0.001 . 1 . . . . 88 LYS HA . 15622 1 602 . 1 1 88 88 LYS HB2 H 1 1.650 0.001 . 2 . . . . 88 LYS HB2 . 15622 1 603 . 1 1 88 88 LYS HB3 H 1 1.906 0.001 . 2 . . . . 88 LYS HB3 . 15622 1 604 . 1 1 88 88 LYS HG2 H 1 1.481 0.001 . 2 . . . . 88 LYS HG2 . 15622 1 605 . 1 1 88 88 LYS HG3 H 1 1.347 0.001 . 2 . . . . 88 LYS HG3 . 15622 1 606 . 1 1 88 88 LYS N N 15 115.29 0.01 . 1 . . . . 88 LYS N . 15622 1 607 . 1 1 89 89 GLY H H 1 7.563 0.001 . 1 . . . . 89 GLY H . 15622 1 608 . 1 1 89 89 GLY HA2 H 1 3.819 0.001 . 2 . . . . 89 GLY HA2 . 15622 1 609 . 1 1 89 89 GLY HA3 H 1 4.057 0.001 . 2 . . . . 89 GLY HA3 . 15622 1 610 . 1 1 89 89 GLY N N 15 107.58 0.01 . 1 . . . . 89 GLY N . 15622 1 611 . 1 1 90 90 LEU H H 1 8.063 0.001 . 1 . . . . 90 LEU H . 15622 1 612 . 1 1 90 90 LEU HA H 1 4.081 0.001 . 1 . . . . 90 LEU HA . 15622 1 613 . 1 1 90 90 LEU HB2 H 1 1.152 0.001 . 2 . . . . 90 LEU HB2 . 15622 1 614 . 1 1 90 90 LEU HB3 H 1 1.389 0.001 . 2 . . . . 90 LEU HB3 . 15622 1 615 . 1 1 90 90 LEU HD11 H 1 0.339 0.001 . 2 . . . . 90 LEU HD1 . 15622 1 616 . 1 1 90 90 LEU HD12 H 1 0.339 0.001 . 2 . . . . 90 LEU HD1 . 15622 1 617 . 1 1 90 90 LEU HD13 H 1 0.339 0.001 . 2 . . . . 90 LEU HD1 . 15622 1 618 . 1 1 90 90 LEU HD21 H 1 -0.097 0.001 . 2 . . . . 90 LEU HD2 . 15622 1 619 . 1 1 90 90 LEU HD22 H 1 -0.097 0.001 . 2 . . . . 90 LEU HD2 . 15622 1 620 . 1 1 90 90 LEU HD23 H 1 -0.097 0.001 . 2 . . . . 90 LEU HD2 . 15622 1 621 . 1 1 90 90 LEU HG H 1 1.233 0.001 . 1 . . . . 90 LEU HG . 15622 1 622 . 1 1 90 90 LEU N N 15 120.80 0.01 . 1 . . . . 90 LEU N . 15622 1 623 . 1 1 91 91 ILE H H 1 6.525 0.001 . 1 . . . . 91 ILE H . 15622 1 624 . 1 1 91 91 ILE HA H 1 4.600 0.001 . 1 . . . . 91 ILE HA . 15622 1 625 . 1 1 91 91 ILE HB H 1 1.227 0.001 . 1 . . . . 91 ILE HB . 15622 1 626 . 1 1 91 91 ILE HD11 H 1 0.593 0.001 . 1 . . . . 91 ILE HD1 . 15622 1 627 . 1 1 91 91 ILE HD12 H 1 0.593 0.001 . 1 . . . . 91 ILE HD1 . 15622 1 628 . 1 1 91 91 ILE HD13 H 1 0.593 0.001 . 1 . . . . 91 ILE HD1 . 15622 1 629 . 1 1 91 91 ILE HG12 H 1 1.094 0.001 . 2 . . . . 91 ILE HG12 . 15622 1 630 . 1 1 91 91 ILE HG13 H 1 1.094 0.001 . 2 . . . . 91 ILE HG13 . 15622 1 631 . 1 1 91 91 ILE HG21 H 1 0.783 0.001 . 1 . . . . 91 ILE HG2 . 15622 1 632 . 1 1 91 91 ILE HG22 H 1 0.783 0.001 . 1 . . . . 91 ILE HG2 . 15622 1 633 . 1 1 91 91 ILE HG23 H 1 0.783 0.001 . 1 . . . . 91 ILE HG2 . 15622 1 634 . 1 1 91 91 ILE N N 15 109.80 0.01 . 1 . . . . 91 ILE N . 15622 1 635 . 1 1 92 92 SER H H 1 8.822 0.001 . 1 . . . . 92 SER H . 15622 1 636 . 1 1 92 92 SER HA H 1 4.874 0.001 . 1 . . . . 92 SER HA . 15622 1 637 . 1 1 92 92 SER HB2 H 1 4.044 0.001 . 2 . . . . 92 SER HB2 . 15622 1 638 . 1 1 92 92 SER HB3 H 1 4.457 0.001 . 2 . . . . 92 SER HB3 . 15622 1 639 . 1 1 92 92 SER N N 15 120.24 0.01 . 1 . . . . 92 SER N . 15622 1 640 . 1 1 93 93 GLN H H 1 9.324 0.001 . 1 . . . . 93 GLN H . 15622 1 641 . 1 1 93 93 GLN HA H 1 4.020 0.001 . 1 . . . . 93 GLN HA . 15622 1 642 . 1 1 93 93 GLN HB2 H 1 2.190 0.001 . 2 . . . . 93 GLN HB2 . 15622 1 643 . 1 1 93 93 GLN HG2 H 1 2.380 0.001 . 2 . . . . 93 GLN HG2 . 15622 1 644 . 1 1 93 93 GLN N N 15 121.83 0.01 . 1 . . . . 93 GLN N . 15622 1 645 . 1 1 94 94 GLN H H 1 8.740 0.001 . 1 . . . . 94 GLN H . 15622 1 646 . 1 1 94 94 GLN HA H 1 4.236 0.001 . 1 . . . . 94 GLN HA . 15622 1 647 . 1 1 94 94 GLN HB2 H 1 2.520 0.001 . 2 . . . . 94 GLN HB2 . 15622 1 648 . 1 1 95 95 GLU H H 1 7.953 0.001 . 1 . . . . 95 GLU H . 15622 1 649 . 1 1 95 95 GLU HA H 1 4.158 0.001 . 1 . . . . 95 GLU HA . 15622 1 650 . 1 1 95 95 GLU HB2 H 1 2.084 0.001 . 2 . . . . 95 GLU HB2 . 15622 1 651 . 1 1 95 95 GLU HB3 H 1 2.198 0.001 . 2 . . . . 95 GLU HB3 . 15622 1 652 . 1 1 95 95 GLU HG2 H 1 2.342 0.001 . 2 . . . . 95 GLU HG2 . 15622 1 653 . 1 1 95 95 GLU HG3 H 1 2.404 0.001 . 2 . . . . 95 GLU HG3 . 15622 1 654 . 1 1 95 95 GLU N N 15 120.11 0.01 . 1 . . . . 95 GLU N . 15622 1 655 . 1 1 96 96 ALA H H 1 8.406 0.001 . 1 . . . . 96 ALA H . 15622 1 656 . 1 1 96 96 ALA HA H 1 4.160 0.001 . 1 . . . . 96 ALA HA . 15622 1 657 . 1 1 96 96 ALA HB1 H 1 1.672 0.001 . 1 . . . . 96 ALA HB . 15622 1 658 . 1 1 96 96 ALA HB2 H 1 1.672 0.001 . 1 . . . . 96 ALA HB . 15622 1 659 . 1 1 96 96 ALA HB3 H 1 1.672 0.001 . 1 . . . . 96 ALA HB . 15622 1 660 . 1 1 96 96 ALA N N 15 122.16 0.01 . 1 . . . . 96 ALA N . 15622 1 661 . 1 1 97 97 ASN H H 1 8.559 0.001 . 1 . . . . 97 ASN H . 15622 1 662 . 1 1 97 97 ASN HA H 1 4.561 0.001 . 1 . . . . 97 ASN HA . 15622 1 663 . 1 1 97 97 ASN HB2 H 1 2.973 0.001 . 2 . . . . 97 ASN HB2 . 15622 1 664 . 1 1 97 97 ASN HB3 H 1 2.856 0.001 . 2 . . . . 97 ASN HB3 . 15622 1 665 . 1 1 97 97 ASN N N 15 115.72 0.01 . 1 . . . . 97 ASN N . 15622 1 666 . 1 1 98 98 GLN H H 1 8.096 0.001 . 1 . . . . 98 GLN H . 15622 1 667 . 1 1 98 98 GLN HA H 1 4.161 0.001 . 1 . . . . 98 GLN HA . 15622 1 668 . 1 1 98 98 GLN HB2 H 1 2.288 0.001 . 2 . . . . 98 GLN HB2 . 15622 1 669 . 1 1 98 98 GLN HB3 H 1 2.321 0.001 . 2 . . . . 98 GLN HB3 . 15622 1 670 . 1 1 98 98 GLN HE21 H 1 7.527 0.001 . 2 . . . . 98 GLN HE21 . 15622 1 671 . 1 1 98 98 GLN HE22 H 1 6.924 0.001 . 2 . . . . 98 GLN HE22 . 15622 1 672 . 1 1 98 98 GLN HG2 H 1 2.588 0.001 . 2 . . . . 98 GLN HG2 . 15622 1 673 . 1 1 98 98 GLN HG3 H 1 2.483 0.001 . 2 . . . . 98 GLN HG3 . 15622 1 674 . 1 1 98 98 GLN N N 15 119.99 0.01 . 1 . . . . 98 GLN N . 15622 1 675 . 1 1 98 98 GLN NE2 N 15 112.36 0.01 . 1 . . . . 98 GLN NE2 . 15622 1 676 . 1 1 99 99 TRP H H 1 8.261 0.001 . 1 . . . . 99 TRP H . 15622 1 677 . 1 1 99 99 TRP HA H 1 4.440 0.001 . 1 . . . . 99 TRP HA . 15622 1 678 . 1 1 99 99 TRP HB2 H 1 3.431 0.001 . 2 . . . . 99 TRP HB2 . 15622 1 679 . 1 1 99 99 TRP HB3 H 1 3.542 0.001 . 2 . . . . 99 TRP HB3 . 15622 1 680 . 1 1 99 99 TRP HD1 H 1 7.582 0.001 . 1 . . . . 99 TRP HD1 . 15622 1 681 . 1 1 99 99 TRP HE1 H 1 11.328 0.001 . 1 . . . . 99 TRP HE1 . 15622 1 682 . 1 1 99 99 TRP HE3 H 1 7.507 0.001 . 1 . . . . 99 TRP HE3 . 15622 1 683 . 1 1 99 99 TRP HH2 H 1 7.262 0.001 . 1 . . . . 99 TRP HH2 . 15622 1 684 . 1 1 99 99 TRP HZ2 H 1 7.675 0.001 . 1 . . . . 99 TRP HZ2 . 15622 1 685 . 1 1 99 99 TRP HZ3 H 1 7.454 0.001 . 1 . . . . 99 TRP HZ3 . 15622 1 686 . 1 1 99 99 TRP N N 15 122.15 0.01 . 1 . . . . 99 TRP N . 15622 1 687 . 1 1 99 99 TRP NE1 N 15 132.92 0.01 . 1 . . . . 99 TRP NE1 . 15622 1 688 . 1 1 100 100 LEU H H 1 8.367 0.001 . 1 . . . . 100 LEU H . 15622 1 689 . 1 1 100 100 LEU HA H 1 3.751 0.001 . 1 . . . . 100 LEU HA . 15622 1 690 . 1 1 100 100 LEU HB2 H 1 2.101 0.001 . 2 . . . . 100 LEU HB2 . 15622 1 691 . 1 1 100 100 LEU HB3 H 1 2.172 0.001 . 2 . . . . 100 LEU HB3 . 15622 1 692 . 1 1 100 100 LEU HD11 H 1 1.071 0.001 . 2 . . . . 100 LEU HD1 . 15622 1 693 . 1 1 100 100 LEU HD12 H 1 1.071 0.001 . 2 . . . . 100 LEU HD1 . 15622 1 694 . 1 1 100 100 LEU HD13 H 1 1.071 0.001 . 2 . . . . 100 LEU HD1 . 15622 1 695 . 1 1 100 100 LEU HD21 H 1 0.909 0.001 . 2 . . . . 100 LEU HD2 . 15622 1 696 . 1 1 100 100 LEU HD22 H 1 0.909 0.001 . 2 . . . . 100 LEU HD2 . 15622 1 697 . 1 1 100 100 LEU HD23 H 1 0.909 0.001 . 2 . . . . 100 LEU HD2 . 15622 1 698 . 1 1 100 100 LEU HG H 1 1.633 0.001 . 1 . . . . 100 LEU HG . 15622 1 699 . 1 1 100 100 LEU N N 15 118.16 0.01 . 1 . . . . 100 LEU N . 15622 1 700 . 1 1 101 101 SER H H 1 7.462 0.001 . 1 . . . . 101 SER H . 15622 1 701 . 1 1 101 101 SER HA H 1 4.483 0.001 . 1 . . . . 101 SER HA . 15622 1 702 . 1 1 101 101 SER HB2 H 1 4.031 0.001 . 2 . . . . 101 SER HB2 . 15622 1 703 . 1 1 101 101 SER HB3 H 1 4.010 0.001 . 2 . . . . 101 SER HB3 . 15622 1 704 . 1 1 101 101 SER N N 15 113.49 0.001 . 1 . . . . 101 SER N . 15622 1 705 . 1 1 102 102 SER H H 1 7.373 0.001 . 1 . . . . 102 SER H . 15622 1 706 . 1 1 102 102 SER HA H 1 4.271 0.001 . 1 . . . . 102 SER HA . 15622 1 707 . 1 1 102 102 SER HB2 H 1 3.888 0.001 . 2 . . . . 102 SER HB2 . 15622 1 708 . 1 1 102 102 SER HB3 H 1 3.888 0.001 . 2 . . . . 102 SER HB3 . 15622 1 709 . 1 1 102 102 SER N N 15 122.70 0.01 . 1 . . . . 102 SER N . 15622 1 stop_ save_