data_16345 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16345 _Entry.Title ; Solution structure and backbone dynamics of the permutant P54-55 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-06-10 _Entry.Accession_date 2009-06-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Solution structure and backbone dynamics of the permutant S6p3' _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 Anders Ohman . . . 16345 2 Mikael Oliveberg . . . 16345 3 Tommy Oman . . . 16345 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' . 16345 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'backbone dynamics' . 16345 folding . 16345 NMR . 16345 'S6 permutant' . 16345 'solution structure' . 16345 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16345 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 393 16345 '15N chemical shifts' 104 16345 '1H chemical shifts' 659 16345 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 3 . . 2010-05-28 2009-06-10 update BMRB 'edit entity/assembly name' 16345 2 . . 2010-01-21 2009-06-10 update BMRB 'complete entry citation' 16345 1 . . 2009-12-16 2009-06-10 original author 'original release' 16345 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16344 'Solution structure of parent protein S6.' 16345 PDB 1RIS 'Crystal structure of parent protein S6.' 16345 PDB 2kjv 'Solution structure of parent protein S6.' 16345 PDB 2KJW 'BMRB Entry Tracking System' 16345 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 16345 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19966220 _Citation.Full_citation . _Citation.Title 'The HD-exchange motions of ribosomal protein S6 are insensitive to reversal of the protein-folding pathway.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 106 _Citation.Journal_issue 51 _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 21619 _Citation.Page_last 21624 _Citation.Year 2009 _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 Ellinor Haglund . . . 16345 1 2 Jesper Lind . . . 16345 1 3 Tommy Oman . . . 16345 1 4 Anders Ohman . . . 16345 1 5 Lena Maler . . . 16345 1 6 Mikael Oliveberg . . . 16345 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'backbone dynamics' 16345 1 NMR 16345 1 S6 16345 1 'solution structure' 16345 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16345 _Assembly.ID 1 _Assembly.Name 'permutant P54-55' _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 'permutant P54-55' 1 $entity A . yes native no no . . . 16345 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16345 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'permutant P54-55' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID S6p3 _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDPQGYFLWYQVEMPEDRVN DLARELRIRDNVRRVMVVAS TTPGRYEVNIVLNPNLDQSQ LALEKEIIQRALENYGARVE KVEELGLRRLAYPIAK ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11258.984 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Permutant of the ribosomal protein S6 from Thermus thermophilus' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2KJW . "Solution Structure And Backbone Dynamics Of The Permutant P54-55" . . . . . 100.00 96 100.00 100.00 4.66e-61 . . . . 16345 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16345 1 2 . ASP . 16345 1 3 . PRO . 16345 1 4 . GLN . 16345 1 5 . GLY . 16345 1 6 . TYR . 16345 1 7 . PHE . 16345 1 8 . LEU . 16345 1 9 . TRP . 16345 1 10 . TYR . 16345 1 11 . GLN . 16345 1 12 . VAL . 16345 1 13 . GLU . 16345 1 14 . MET . 16345 1 15 . PRO . 16345 1 16 . GLU . 16345 1 17 . ASP . 16345 1 18 . ARG . 16345 1 19 . VAL . 16345 1 20 . ASN . 16345 1 21 . ASP . 16345 1 22 . LEU . 16345 1 23 . ALA . 16345 1 24 . ARG . 16345 1 25 . GLU . 16345 1 26 . LEU . 16345 1 27 . ARG . 16345 1 28 . ILE . 16345 1 29 . ARG . 16345 1 30 . ASP . 16345 1 31 . ASN . 16345 1 32 . VAL . 16345 1 33 . ARG . 16345 1 34 . ARG . 16345 1 35 . VAL . 16345 1 36 . MET . 16345 1 37 . VAL . 16345 1 38 . VAL . 16345 1 39 . ALA . 16345 1 40 . SER . 16345 1 41 . THR . 16345 1 42 . THR . 16345 1 43 . PRO . 16345 1 44 . GLY . 16345 1 45 . ARG . 16345 1 46 . TYR . 16345 1 47 . GLU . 16345 1 48 . VAL . 16345 1 49 . ASN . 16345 1 50 . ILE . 16345 1 51 . VAL . 16345 1 52 . LEU . 16345 1 53 . ASN . 16345 1 54 . PRO . 16345 1 55 . ASN . 16345 1 56 . LEU . 16345 1 57 . ASP . 16345 1 58 . GLN . 16345 1 59 . SER . 16345 1 60 . GLN . 16345 1 61 . LEU . 16345 1 62 . ALA . 16345 1 63 . LEU . 16345 1 64 . GLU . 16345 1 65 . LYS . 16345 1 66 . GLU . 16345 1 67 . ILE . 16345 1 68 . ILE . 16345 1 69 . GLN . 16345 1 70 . ARG . 16345 1 71 . ALA . 16345 1 72 . LEU . 16345 1 73 . GLU . 16345 1 74 . ASN . 16345 1 75 . TYR . 16345 1 76 . GLY . 16345 1 77 . ALA . 16345 1 78 . ARG . 16345 1 79 . VAL . 16345 1 80 . GLU . 16345 1 81 . LYS . 16345 1 82 . VAL . 16345 1 83 . GLU . 16345 1 84 . GLU . 16345 1 85 . LEU . 16345 1 86 . GLY . 16345 1 87 . LEU . 16345 1 88 . ARG . 16345 1 89 . ARG . 16345 1 90 . LEU . 16345 1 91 . ALA . 16345 1 92 . TYR . 16345 1 93 . PRO . 16345 1 94 . ILE . 16345 1 95 . ALA . 16345 1 96 . LYS . 16345 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16345 1 . ASP 2 2 16345 1 . PRO 3 3 16345 1 . GLN 4 4 16345 1 . GLY 5 5 16345 1 . TYR 6 6 16345 1 . PHE 7 7 16345 1 . LEU 8 8 16345 1 . TRP 9 9 16345 1 . TYR 10 10 16345 1 . GLN 11 11 16345 1 . VAL 12 12 16345 1 . GLU 13 13 16345 1 . MET 14 14 16345 1 . PRO 15 15 16345 1 . GLU 16 16 16345 1 . ASP 17 17 16345 1 . ARG 18 18 16345 1 . VAL 19 19 16345 1 . ASN 20 20 16345 1 . ASP 21 21 16345 1 . LEU 22 22 16345 1 . ALA 23 23 16345 1 . ARG 24 24 16345 1 . GLU 25 25 16345 1 . LEU 26 26 16345 1 . ARG 27 27 16345 1 . ILE 28 28 16345 1 . ARG 29 29 16345 1 . ASP 30 30 16345 1 . ASN 31 31 16345 1 . VAL 32 32 16345 1 . ARG 33 33 16345 1 . ARG 34 34 16345 1 . VAL 35 35 16345 1 . MET 36 36 16345 1 . VAL 37 37 16345 1 . VAL 38 38 16345 1 . ALA 39 39 16345 1 . SER 40 40 16345 1 . THR 41 41 16345 1 . THR 42 42 16345 1 . PRO 43 43 16345 1 . GLY 44 44 16345 1 . ARG 45 45 16345 1 . TYR 46 46 16345 1 . GLU 47 47 16345 1 . VAL 48 48 16345 1 . ASN 49 49 16345 1 . ILE 50 50 16345 1 . VAL 51 51 16345 1 . LEU 52 52 16345 1 . ASN 53 53 16345 1 . PRO 54 54 16345 1 . ASN 55 55 16345 1 . LEU 56 56 16345 1 . ASP 57 57 16345 1 . GLN 58 58 16345 1 . SER 59 59 16345 1 . GLN 60 60 16345 1 . LEU 61 61 16345 1 . ALA 62 62 16345 1 . LEU 63 63 16345 1 . GLU 64 64 16345 1 . LYS 65 65 16345 1 . GLU 66 66 16345 1 . ILE 67 67 16345 1 . ILE 68 68 16345 1 . GLN 69 69 16345 1 . ARG 70 70 16345 1 . ALA 71 71 16345 1 . LEU 72 72 16345 1 . GLU 73 73 16345 1 . ASN 74 74 16345 1 . TYR 75 75 16345 1 . GLY 76 76 16345 1 . ALA 77 77 16345 1 . ARG 78 78 16345 1 . VAL 79 79 16345 1 . GLU 80 80 16345 1 . LYS 81 81 16345 1 . VAL 82 82 16345 1 . GLU 83 83 16345 1 . GLU 84 84 16345 1 . LEU 85 85 16345 1 . GLY 86 86 16345 1 . LEU 87 87 16345 1 . ARG 88 88 16345 1 . ARG 89 89 16345 1 . LEU 90 90 16345 1 . ALA 91 91 16345 1 . TYR 92 92 16345 1 . PRO 93 93 16345 1 . ILE 94 94 16345 1 . ALA 95 95 16345 1 . LYS 96 96 16345 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 16345 _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 $entity . 274 organism . 'Thermus thermophilus' 'Thermus thermophilus' . . Bacteria . Thermus thermophilus . . . . . . . . . . . . . . . . . . . . . 16345 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 16345 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 pLysS . . . . . . . . . . . . . . pRSETA . . . . . . 16345 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16345 _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 entity [U-15N] . . 1 $entity . . . 0.8 1.2 mM . . . . 16345 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16345 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16345 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16345 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16345 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16345 _Sample.ID 2 _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 entity 'natural abundance' . . 1 $entity . . . 0.8 1.2 mM . . . . 16345 2 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16345 2 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16345 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16345 _Sample.ID 3 _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 entity '[U-13C; U-15N]' . . 1 $entity . . . 0.8 1.2 mM . . . . 16345 3 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16345 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16345 3 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16345 3 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16345 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 16345 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.06 . M 16345 1 pH 6.3 . pH 16345 1 pressure 1 . atm 16345 1 temperature 298 . K 16345 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 16345 _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' . . 16345 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16345 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16345 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16345 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16345 2 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 16345 _Software.ID 3 _Software.Name ANSIG _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . . 16345 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16345 3 'data analysis' 16345 3 'peak picking' 16345 3 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 16345 _Software.ID 4 _Software.Name X-PLOR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 16345 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16345 4 refinement 16345 4 'structure solution' 16345 4 stop_ save_ save_AQUA _Software.Sf_category software _Software.Sf_framecode AQUA _Software.Entry_ID 16345 _Software.ID 5 _Software.Name AQUA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rullmann, Doreleijers and Kaptein' . . 16345 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16345 5 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 16345 _Software.ID 6 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 16345 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16345 6 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16345 _Software.ID 7 _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' . . 16345 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16345 7 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16345 _Software.ID 8 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16345 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16345 8 stop_ save_ save_Mulder _Software.Sf_category software _Software.Sf_framecode Mulder _Software.Entry_ID 16345 _Software.ID 9 _Software.Name Mulder _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'P. Padrta & V. Sklenar' . . 16345 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16345 9 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 16345 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 16345 _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 DRX . 600 . . . 16345 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 16345 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16345 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16345 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16345 1 4 '3D C(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16345 1 5 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16345 1 6 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16345 1 7 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16345 1 8 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16345 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16345 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16345 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16345 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16345 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16345 1 14 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16345 1 15 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16345 1 16 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16345 1 17 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16345 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 16345 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16345 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16345 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16345 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 16345 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16345 1 2 '2D 1H-13C HSQC' . . . 16345 1 3 '3D CBCA(CO)NH' . . . 16345 1 4 '3D C(CO)NH' . . . 16345 1 5 '3D HNCO' . . . 16345 1 6 '3D HNCA' . . . 16345 1 7 '3D HNCACB' . . . 16345 1 8 '3D HN(CO)CA' . . . 16345 1 9 '3D HCCH-TOCSY' . . . 16345 1 11 '2D 1H-15N HSQC' . . . 16345 1 12 '3D 1H-15N TOCSY' . . . 16345 1 13 '3D 1H-15N NOESY' . . . 16345 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 3 $ANSIG . . 16345 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HB2 H 1 2.001 0.005 . 1 . . . . 1 Met HB . 16345 1 2 . 1 1 1 1 MET HB3 H 1 2.001 0.005 . 1 . . . . 1 Met HB . 16345 1 3 . 1 1 1 1 MET C C 13 178.079 0.050 . 1 . . . . 1 Met CO . 16345 1 4 . 1 1 1 1 MET CB C 13 22.322 0.050 . 1 . . . . 1 Met CB . 16345 1 5 . 1 1 2 2 ASP H H 1 8.354 0.005 . 1 . . . . 2 Asp HN . 16345 1 6 . 1 1 2 2 ASP HA H 1 4.465 0.005 . 1 . . . . 2 Asp HA . 16345 1 7 . 1 1 2 2 ASP HB2 H 1 3.692 0.005 . 2 . . . . 2 Asp HB1 . 16345 1 8 . 1 1 2 2 ASP HB3 H 1 3.990 0.005 . 2 . . . . 2 Asp HB2 . 16345 1 9 . 1 1 2 2 ASP CA C 13 56.482 0.050 . 1 . . . . 2 Asp CA . 16345 1 10 . 1 1 2 2 ASP N N 15 115.059 0.050 . 1 . . . . 2 Asp N . 16345 1 11 . 1 1 3 3 PRO HA H 1 4.457 0.005 . 1 . . . . 3 Pro HA . 16345 1 12 . 1 1 3 3 PRO HB2 H 1 1.933 0.005 . 2 . . . . 3 Pro HB1 . 16345 1 13 . 1 1 3 3 PRO HB3 H 1 2.278 0.005 . 2 . . . . 3 Pro HB2 . 16345 1 14 . 1 1 3 3 PRO HD2 H 1 3.492 0.005 . 1 . . . . 3 Pro HD . 16345 1 15 . 1 1 3 3 PRO HD3 H 1 3.492 0.005 . 1 . . . . 3 Pro HD . 16345 1 16 . 1 1 3 3 PRO HG2 H 1 2.105 0.005 . 1 . . . . 3 Pro HG . 16345 1 17 . 1 1 3 3 PRO HG3 H 1 2.105 0.005 . 1 . . . . 3 Pro HG . 16345 1 18 . 1 1 3 3 PRO C C 13 176.347 0.050 . 1 . . . . 3 Pro CO . 16345 1 19 . 1 1 3 3 PRO CA C 13 64.918 0.050 . 1 . . . . 3 Pro CA . 16345 1 20 . 1 1 3 3 PRO CB C 13 30.502 0.050 . 1 . . . . 3 Pro CB . 16345 1 21 . 1 1 3 3 PRO CG C 13 25.010 0.050 . 1 . . . . 3 Pro CG . 16345 1 22 . 1 1 4 4 GLN H H 1 8.351 0.005 . 1 . . . . 4 Gln HN . 16345 1 23 . 1 1 4 4 GLN HA H 1 5.038 0.005 . 1 . . . . 4 Gln HA . 16345 1 24 . 1 1 4 4 GLN HB2 H 1 1.844 0.005 . 2 . . . . 4 Gln HB1 . 16345 1 25 . 1 1 4 4 GLN HB3 H 1 2.050 0.005 . 2 . . . . 4 Gln HB2 . 16345 1 26 . 1 1 4 4 GLN HE21 H 1 6.679 0.005 . 1 . . . . 4 Gln HE21 . 16345 1 27 . 1 1 4 4 GLN HE22 H 1 7.354 0.005 . 1 . . . . 4 Gln HE22 . 16345 1 28 . 1 1 4 4 GLN HG2 H 1 2.294 0.005 . 1 . . . . 4 Gln HG . 16345 1 29 . 1 1 4 4 GLN HG3 H 1 2.294 0.005 . 1 . . . . 4 Gln HG . 16345 1 30 . 1 1 4 4 GLN C C 13 174.835 0.050 . 1 . . . . 4 Gln CO . 16345 1 31 . 1 1 4 4 GLN CA C 13 55.316 0.050 . 1 . . . . 4 Gln CA . 16345 1 32 . 1 1 4 4 GLN CB C 13 31.607 0.050 . 1 . . . . 4 Gln CB . 16345 1 33 . 1 1 4 4 GLN CG C 13 32.587 0.050 . 1 . . . . 4 Gln CG . 16345 1 34 . 1 1 4 4 GLN N N 15 119.504 0.050 . 1 . . . . 4 Gln N . 16345 1 35 . 1 1 4 4 GLN NE2 N 15 111.171 0.050 . 1 . . . . 4 Gln NE2 . 16345 1 36 . 1 1 5 5 GLY H H 1 8.660 0.005 . 1 . . . . 5 Gly HN . 16345 1 37 . 1 1 5 5 GLY HA2 H 1 4.237 0.005 . 1 . . . . 5 Gly HA1 . 16345 1 38 . 1 1 5 5 GLY HA3 H 1 4.363 0.005 . 1 . . . . 5 Gly HA2 . 16345 1 39 . 1 1 5 5 GLY C C 13 169.664 0.050 . 1 . . . . 5 Gly CO . 16345 1 40 . 1 1 5 5 GLY CA C 13 44.212 0.050 . 1 . . . . 5 Gly CA . 16345 1 41 . 1 1 5 5 GLY N N 15 104.098 0.050 . 1 . . . . 5 Gly N . 16345 1 42 . 1 1 6 6 TYR H H 1 8.813 0.005 . 1 . . . . 6 Tyr HN . 16345 1 43 . 1 1 6 6 TYR HA H 1 4.642 0.005 . 1 . . . . 6 Tyr HA . 16345 1 44 . 1 1 6 6 TYR HB2 H 1 2.416 0.005 . 2 . . . . 6 Tyr HB1 . 16345 1 45 . 1 1 6 6 TYR HB3 H 1 3.077 0.005 . 2 . . . . 6 Tyr HB2 . 16345 1 46 . 1 1 6 6 TYR C C 13 175.410 0.050 . 1 . . . . 6 Tyr CO . 16345 1 47 . 1 1 6 6 TYR CA C 13 59.003 0.050 . 1 . . . . 6 Tyr CA . 16345 1 48 . 1 1 6 6 TYR CB C 13 39.668 0.050 . 1 . . . . 6 Tyr CB . 16345 1 49 . 1 1 6 6 TYR N N 15 123.593 0.050 . 1 . . . . 6 Tyr N . 16345 1 50 . 1 1 7 7 PHE H H 1 9.120 0.005 . 1 . . . . 7 Phe HN . 16345 1 51 . 1 1 7 7 PHE HA H 1 4.645 0.005 . 1 . . . . 7 Phe HA . 16345 1 52 . 1 1 7 7 PHE HB2 H 1 2.759 0.005 . 2 . . . . 7 Phe HB1 . 16345 1 53 . 1 1 7 7 PHE HB3 H 1 3.172 0.005 . 2 . . . . 7 Phe HB2 . 16345 1 54 . 1 1 7 7 PHE HD1 H 1 7.373 0.005 . 1 . . . . 7 Phe HD . 16345 1 55 . 1 1 7 7 PHE HD2 H 1 7.373 0.005 . 1 . . . . 7 Phe HD . 16345 1 56 . 1 1 7 7 PHE C C 13 175.061 0.050 . 1 . . . . 7 Phe CO . 16345 1 57 . 1 1 7 7 PHE CA C 13 60.137 0.050 . 1 . . . . 7 Phe CA . 16345 1 58 . 1 1 7 7 PHE CB C 13 40.797 0.050 . 1 . . . . 7 Phe CB . 16345 1 59 . 1 1 7 7 PHE N N 15 130.377 0.050 . 1 . . . . 7 Phe N . 16345 1 60 . 1 1 8 8 LEU H H 1 9.285 0.005 . 1 . . . . 8 Leu HN . 16345 1 61 . 1 1 8 8 LEU HA H 1 4.957 0.005 . 1 . . . . 8 Leu HA . 16345 1 62 . 1 1 8 8 LEU HB2 H 1 1.674 0.005 . 2 . . . . 8 Leu HB1 . 16345 1 63 . 1 1 8 8 LEU HB3 H 1 1.868 0.005 . 2 . . . . 8 Leu HB2 . 16345 1 64 . 1 1 8 8 LEU HD11 H 1 0.993 0.005 . 2 . . . . 8 Leu HD1 . 16345 1 65 . 1 1 8 8 LEU HD12 H 1 0.993 0.005 . 2 . . . . 8 Leu HD1 . 16345 1 66 . 1 1 8 8 LEU HD13 H 1 0.993 0.005 . 2 . . . . 8 Leu HD1 . 16345 1 67 . 1 1 8 8 LEU HD21 H 1 1.041 0.005 . 2 . . . . 8 Leu HD2 . 16345 1 68 . 1 1 8 8 LEU HD22 H 1 1.041 0.005 . 2 . . . . 8 Leu HD2 . 16345 1 69 . 1 1 8 8 LEU HD23 H 1 1.041 0.005 . 2 . . . . 8 Leu HD2 . 16345 1 70 . 1 1 8 8 LEU HG H 1 1.774 0.005 . 1 . . . . 8 Leu HG . 16345 1 71 . 1 1 8 8 LEU C C 13 174.574 0.050 . 1 . . . . 8 Leu CO . 16345 1 72 . 1 1 8 8 LEU CA C 13 55.221 0.050 . 1 . . . . 8 Leu CA . 16345 1 73 . 1 1 8 8 LEU CB C 13 46.761 0.050 . 1 . . . . 8 Leu CB . 16345 1 74 . 1 1 8 8 LEU CD1 C 13 22.648 0.050 . 1 . . . . 8 Leu CD . 16345 1 75 . 1 1 8 8 LEU CD2 C 13 22.648 0.050 . 1 . . . . 8 Leu CD . 16345 1 76 . 1 1 8 8 LEU CG C 13 25.417 0.050 . 1 . . . . 8 Leu CG . 16345 1 77 . 1 1 8 8 LEU N N 15 123.590 0.050 . 1 . . . . 8 Leu N . 16345 1 78 . 1 1 9 9 TRP H H 1 8.603 0.005 . 1 . . . . 9 Trp HN . 16345 1 79 . 1 1 9 9 TRP HA H 1 5.490 0.005 . 1 . . . . 9 Trp HA . 16345 1 80 . 1 1 9 9 TRP HB2 H 1 3.097 0.005 . 2 . . . . 9 Trp HB1 . 16345 1 81 . 1 1 9 9 TRP HB3 H 1 3.192 0.005 . 2 . . . . 9 Trp HB2 . 16345 1 82 . 1 1 9 9 TRP HD1 H 1 7.441 0.005 . 1 . . . . 9 Trp HD1 . 16345 1 83 . 1 1 9 9 TRP HE1 H 1 10.287 0.005 . 1 . . . . 9 Trp HE1 . 16345 1 84 . 1 1 9 9 TRP HZ2 H 1 7.228 0.005 . 1 . . . . 9 Trp HZ2 . 16345 1 85 . 1 1 9 9 TRP C C 13 173.543 0.050 . 1 . . . . 9 Trp CO . 16345 1 86 . 1 1 9 9 TRP CA C 13 57.872 0.050 . 1 . . . . 9 Trp CA . 16345 1 87 . 1 1 9 9 TRP CB C 13 31.363 0.050 . 1 . . . . 9 Trp CB . 16345 1 88 . 1 1 9 9 TRP N N 15 125.100 0.050 . 1 . . . . 9 Trp N . 16345 1 89 . 1 1 9 9 TRP NE1 N 15 130.641 0.050 . 1 . . . . 9 Trp NE1 . 16345 1 90 . 1 1 10 10 TYR H H 1 8.405 0.005 . 1 . . . . 10 Tyr HN . 16345 1 91 . 1 1 10 10 TYR HA H 1 4.898 0.005 . 1 . . . . 10 Tyr HA . 16345 1 92 . 1 1 10 10 TYR HB2 H 1 2.437 0.005 . 2 . . . . 10 Tyr HB2 . 16345 1 93 . 1 1 10 10 TYR HD1 H 1 6.813 0.005 . 1 . . . . 10 Tyr HD . 16345 1 94 . 1 1 10 10 TYR HD2 H 1 6.813 0.005 . 1 . . . . 10 Tyr HD . 16345 1 95 . 1 1 10 10 TYR C C 13 176.986 0.050 . 1 . . . . 10 Tyr CO . 16345 1 96 . 1 1 10 10 TYR CA C 13 56.779 0.050 . 1 . . . . 10 Tyr CA . 16345 1 97 . 1 1 10 10 TYR CB C 13 41.495 0.050 . 1 . . . . 10 Tyr CB . 16345 1 98 . 1 1 10 10 TYR N N 15 123.343 0.050 . 1 . . . . 10 Tyr N . 16345 1 99 . 1 1 11 11 GLN H H 1 8.549 0.005 . 1 . . . . 11 Gln HN . 16345 1 100 . 1 1 11 11 GLN HA H 1 4.838 0.005 . 1 . . . . 11 Gln HA . 16345 1 101 . 1 1 11 11 GLN HB2 H 1 1.757 0.005 . 1 . . . . 11 Gln HB . 16345 1 102 . 1 1 11 11 GLN HB3 H 1 1.757 0.005 . 1 . . . . 11 Gln HB . 16345 1 103 . 1 1 11 11 GLN HE21 H 1 6.944 0.005 . 1 . . . . 11 Gln HE21 . 16345 1 104 . 1 1 11 11 GLN HE22 H 1 7.911 0.005 . 1 . . . . 11 Gln HE22 . 16345 1 105 . 1 1 11 11 GLN HG2 H 1 1.969 0.005 . 1 . . . . 11 Gln HG . 16345 1 106 . 1 1 11 11 GLN HG3 H 1 1.969 0.005 . 1 . . . . 11 Gln HG . 16345 1 107 . 1 1 11 11 GLN C C 13 175.716 0.050 . 1 . . . . 11 Gln CO . 16345 1 108 . 1 1 11 11 GLN CA C 13 55.435 0.050 . 1 . . . . 11 Gln CA . 16345 1 109 . 1 1 11 11 GLN CB C 13 29.683 0.050 . 1 . . . . 11 Gln CB . 16345 1 110 . 1 1 11 11 GLN CG C 13 33.480 0.050 . 1 . . . . 11 Gln CG . 16345 1 111 . 1 1 11 11 GLN N N 15 122.488 0.050 . 1 . . . . 11 Gln N . 16345 1 112 . 1 1 11 11 GLN NE2 N 15 112.700 0.050 . 1 . . . . 11 Gln NE2 . 16345 1 113 . 1 1 12 12 VAL H H 1 9.195 0.005 . 1 . . . . 12 Val HN . 16345 1 114 . 1 1 12 12 VAL HA H 1 5.533 0.005 . 1 . . . . 12 Val HA . 16345 1 115 . 1 1 12 12 VAL HB H 1 1.858 0.005 . 1 . . . . 12 Val HB . 16345 1 116 . 1 1 12 12 VAL HG11 H 1 0.619 0.005 . 2 . . . . 12 Val HG1 . 16345 1 117 . 1 1 12 12 VAL HG12 H 1 0.619 0.005 . 2 . . . . 12 Val HG1 . 16345 1 118 . 1 1 12 12 VAL HG13 H 1 0.619 0.005 . 2 . . . . 12 Val HG1 . 16345 1 119 . 1 1 12 12 VAL HG21 H 1 0.711 0.005 . 2 . . . . 12 Val HG2 . 16345 1 120 . 1 1 12 12 VAL HG22 H 1 0.711 0.005 . 2 . . . . 12 Val HG2 . 16345 1 121 . 1 1 12 12 VAL HG23 H 1 0.711 0.005 . 2 . . . . 12 Val HG2 . 16345 1 122 . 1 1 12 12 VAL C C 13 173.753 0.050 . 1 . . . . 12 Val CO . 16345 1 123 . 1 1 12 12 VAL CA C 13 58.687 0.050 . 1 . . . . 12 Val CA . 16345 1 124 . 1 1 12 12 VAL CB C 13 33.853 0.050 . 1 . . . . 12 Val CB . 16345 1 125 . 1 1 12 12 VAL CG1 C 13 15.757 0.050 . 2 . . . . 12 Val CG1 . 16345 1 126 . 1 1 12 12 VAL CG2 C 13 19.058 0.050 . 2 . . . . 12 Val CG2 . 16345 1 127 . 1 1 12 12 VAL N N 15 118.986 0.050 . 1 . . . . 12 Val N . 16345 1 128 . 1 1 13 13 GLU H H 1 8.796 0.005 . 1 . . . . 13 Glu HN . 16345 1 129 . 1 1 13 13 GLU HA H 1 5.180 0.005 . 1 . . . . 13 Glu HA . 16345 1 130 . 1 1 13 13 GLU HB2 H 1 1.721 0.005 . 2 . . . . 13 Glu HB1 . 16345 1 131 . 1 1 13 13 GLU HB3 H 1 2.152 0.005 . 2 . . . . 13 Glu HB2 . 16345 1 132 . 1 1 13 13 GLU HG2 H 1 2.234 0.005 . 1 . . . . 13 Glu HG . 16345 1 133 . 1 1 13 13 GLU HG3 H 1 2.234 0.005 . 1 . . . . 13 Glu HG . 16345 1 134 . 1 1 13 13 GLU C C 13 175.664 0.050 . 1 . . . . 13 Glu CO . 16345 1 135 . 1 1 13 13 GLU CA C 13 55.732 0.050 . 1 . . . . 13 Glu CA . 16345 1 136 . 1 1 13 13 GLU CB C 13 29.940 0.050 . 1 . . . . 13 Glu CB . 16345 1 137 . 1 1 13 13 GLU CG C 13 34.525 0.050 . 1 . . . . 13 Glu CG . 16345 1 138 . 1 1 13 13 GLU N N 15 123.503 0.050 . 1 . . . . 13 Glu N . 16345 1 139 . 1 1 14 14 MET H H 1 8.502 0.005 . 1 . . . . 14 Met HN . 16345 1 140 . 1 1 14 14 MET HA H 1 4.993 0.005 . 1 . . . . 14 Met HA . 16345 1 141 . 1 1 14 14 MET HB2 H 1 1.825 0.005 . 2 . . . . 14 Met HB1 . 16345 1 142 . 1 1 14 14 MET HB3 H 1 2.016 0.005 . 2 . . . . 14 Met HB2 . 16345 1 143 . 1 1 14 14 MET CA C 13 55.300 0.050 . 1 . . . . 14 Met CA . 16345 1 144 . 1 1 14 14 MET CB C 13 32.728 0.050 . 1 . . . . 14 Met CB . 16345 1 145 . 1 1 14 14 MET N N 15 123.874 0.050 . 1 . . . . 14 Met N . 16345 1 146 . 1 1 15 15 PRO HA H 1 4.574 0.005 . 1 . . . . 15 Pro HA . 16345 1 147 . 1 1 15 15 PRO HB2 H 1 1.937 0.005 . 2 . . . . 15 Pro HB1 . 16345 1 148 . 1 1 15 15 PRO HB3 H 1 2.444 0.005 . 2 . . . . 15 Pro HB2 . 16345 1 149 . 1 1 15 15 PRO C C 13 178.047 0.050 . 1 . . . . 15 Pro CO . 16345 1 150 . 1 1 15 15 PRO CA C 13 63.888 0.050 . 1 . . . . 15 Pro CA . 16345 1 151 . 1 1 15 15 PRO CB C 13 30.829 0.050 . 1 . . . . 15 Pro CB . 16345 1 152 . 1 1 15 15 PRO CG C 13 25.754 0.050 . 1 . . . . 15 Pro CG . 16345 1 153 . 1 1 16 16 GLU H H 1 8.744 0.005 . 1 . . . . 16 Glu HN . 16345 1 154 . 1 1 16 16 GLU HA H 1 3.875 0.005 . 1 . . . . 16 Glu HA . 16345 1 155 . 1 1 16 16 GLU HB2 H 1 2.021 0.005 . 2 . . . . 16 Glu HB1 . 16345 1 156 . 1 1 16 16 GLU HB3 H 1 2.229 0.005 . 2 . . . . 16 Glu HB2 . 16345 1 157 . 1 1 16 16 GLU C C 13 177.884 0.050 . 1 . . . . 16 Glu CO . 16345 1 158 . 1 1 16 16 GLU CA C 13 59.951 0.050 . 1 . . . . 16 Glu CA . 16345 1 159 . 1 1 16 16 GLU CB C 13 28.249 0.050 . 1 . . . . 16 Glu CB . 16345 1 160 . 1 1 16 16 GLU CG C 13 34.181 0.050 . 1 . . . . 16 Glu CG . 16345 1 161 . 1 1 16 16 GLU N N 15 124.436 0.050 . 1 . . . . 16 Glu N . 16345 1 162 . 1 1 17 17 ASP H H 1 8.563 0.005 . 1 . . . . 17 Asp HN . 16345 1 163 . 1 1 17 17 ASP HA H 1 4.354 0.005 . 1 . . . . 17 Asp HA . 16345 1 164 . 1 1 17 17 ASP HB2 H 1 2.652 0.005 . 2 . . . . 17 Asp HB1 . 16345 1 165 . 1 1 17 17 ASP HB3 H 1 2.752 0.005 . 2 . . . . 17 Asp HB2 . 16345 1 166 . 1 1 17 17 ASP C C 13 177.226 0.050 . 1 . . . . 17 Asp CO . 16345 1 167 . 1 1 17 17 ASP CA C 13 56.154 0.050 . 1 . . . . 17 Asp CA . 16345 1 168 . 1 1 17 17 ASP CB C 13 38.612 0.050 . 1 . . . . 17 Asp CB . 16345 1 169 . 1 1 17 17 ASP N N 15 114.686 0.050 . 1 . . . . 17 Asp N . 16345 1 170 . 1 1 18 18 ARG H H 1 7.461 0.005 . 1 . . . . 18 Arg HN . 16345 1 171 . 1 1 18 18 ARG HA H 1 4.634 0.005 . 1 . . . . 18 Arg HA . 16345 1 172 . 1 1 18 18 ARG HB2 H 1 1.700 0.005 . 2 . . . . 18 Arg HB1 . 16345 1 173 . 1 1 18 18 ARG HB3 H 1 2.239 0.005 . 2 . . . . 18 Arg HB2 . 16345 1 174 . 1 1 18 18 ARG HD2 H 1 3.204 0.005 . 1 . . . . 18 Arg HD . 16345 1 175 . 1 1 18 18 ARG HD3 H 1 3.204 0.005 . 1 . . . . 18 Arg HD . 16345 1 176 . 1 1 18 18 ARG HG2 H 1 1.675 0.005 . 2 . . . . 18 Arg HG1 . 16345 1 177 . 1 1 18 18 ARG HG3 H 1 1.819 0.005 . 2 . . . . 18 Arg HG2 . 16345 1 178 . 1 1 18 18 ARG C C 13 176.452 0.050 . 1 . . . . 18 Arg CO . 16345 1 179 . 1 1 18 18 ARG CA C 13 56.364 0.050 . 1 . . . . 18 Arg CA . 16345 1 180 . 1 1 18 18 ARG CB C 13 29.704 0.050 . 1 . . . . 18 Arg CB . 16345 1 181 . 1 1 18 18 ARG CD C 13 41.830 0.050 . 1 . . . . 18 Arg CD . 16345 1 182 . 1 1 18 18 ARG CG C 13 23.828 0.050 . 1 . . . . 18 Arg CG . 16345 1 183 . 1 1 18 18 ARG N N 15 116.856 0.050 . 1 . . . . 18 Arg N . 16345 1 184 . 1 1 19 19 VAL H H 1 7.207 0.005 . 1 . . . . 19 Val HN . 16345 1 185 . 1 1 19 19 VAL HA H 1 3.197 0.005 . 1 . . . . 19 Val HA . 16345 1 186 . 1 1 19 19 VAL HB H 1 1.593 0.005 . 1 . . . . 19 Val HB . 16345 1 187 . 1 1 19 19 VAL HG11 H 1 0.379 0.005 . 2 . . . . 19 Val HG1 . 16345 1 188 . 1 1 19 19 VAL HG12 H 1 0.379 0.005 . 2 . . . . 19 Val HG1 . 16345 1 189 . 1 1 19 19 VAL HG13 H 1 0.379 0.005 . 2 . . . . 19 Val HG1 . 16345 1 190 . 1 1 19 19 VAL HG21 H 1 0.347 0.005 . 2 . . . . 19 Val HG2 . 16345 1 191 . 1 1 19 19 VAL HG22 H 1 0.347 0.005 . 2 . . . . 19 Val HG2 . 16345 1 192 . 1 1 19 19 VAL HG23 H 1 0.347 0.005 . 2 . . . . 19 Val HG2 . 16345 1 193 . 1 1 19 19 VAL C C 13 176.651 0.050 . 1 . . . . 19 Val CO . 16345 1 194 . 1 1 19 19 VAL CA C 13 68.415 0.050 . 1 . . . . 19 Val CA . 16345 1 195 . 1 1 19 19 VAL CB C 13 29.704 0.050 . 1 . . . . 19 Val CB . 16345 1 196 . 1 1 19 19 VAL CG1 C 13 17.110 0.050 . 2 . . . . 19 Val CG1 . 16345 1 197 . 1 1 19 19 VAL CG2 C 13 18.459 0.050 . 2 . . . . 19 Val CG2 . 16345 1 198 . 1 1 19 19 VAL N N 15 120.344 0.050 . 1 . . . . 19 Val N . 16345 1 199 . 1 1 20 20 ASN H H 1 8.128 0.005 . 1 . . . . 20 Asn HN . 16345 1 200 . 1 1 20 20 ASN HA H 1 4.300 0.005 . 1 . . . . 20 Asn HA . 16345 1 201 . 1 1 20 20 ASN HB2 H 1 2.602 0.005 . 2 . . . . 20 Asn HB1 . 16345 1 202 . 1 1 20 20 ASN HB3 H 1 2.714 0.005 . 2 . . . . 20 Asn HB2 . 16345 1 203 . 1 1 20 20 ASN HD21 H 1 6.903 0.005 . 1 . . . . 20 Asn HD21 . 16345 1 204 . 1 1 20 20 ASN HD22 H 1 7.583 0.005 . 1 . . . . 20 Asn HD22 . 16345 1 205 . 1 1 20 20 ASN C C 13 176.681 0.050 . 1 . . . . 20 Asn CO . 16345 1 206 . 1 1 20 20 ASN CA C 13 56.757 0.050 . 1 . . . . 20 Asn CA . 16345 1 207 . 1 1 20 20 ASN CB C 13 36.252 0.050 . 1 . . . . 20 Asn CB . 16345 1 208 . 1 1 20 20 ASN N N 15 117.838 0.050 . 1 . . . . 20 Asn N . 16345 1 209 . 1 1 20 20 ASN ND2 N 15 113.057 0.050 . 1 . . . . 20 Asn ND2 . 16345 1 210 . 1 1 21 21 ASP H H 1 7.970 0.005 . 1 . . . . 21 Asp HN . 16345 1 211 . 1 1 21 21 ASP HA H 1 4.247 0.005 . 1 . . . . 21 Asp HA . 16345 1 212 . 1 1 21 21 ASP HB2 H 1 2.551 0.005 . 2 . . . . 21 Asp HB1 . 16345 1 213 . 1 1 21 21 ASP HB3 H 1 2.720 0.005 . 2 . . . . 21 Asp HB2 . 16345 1 214 . 1 1 21 21 ASP C C 13 177.566 0.050 . 1 . . . . 21 Asp CO . 16345 1 215 . 1 1 21 21 ASP CA C 13 58.062 0.050 . 1 . . . . 21 Asp CA . 16345 1 216 . 1 1 21 21 ASP CB C 13 39.748 0.050 . 1 . . . . 21 Asp CB . 16345 1 217 . 1 1 21 21 ASP N N 15 122.369 0.050 . 1 . . . . 21 Asp N . 16345 1 218 . 1 1 22 22 LEU H H 1 7.604 0.005 . 1 . . . . 22 Leu HN . 16345 1 219 . 1 1 22 22 LEU HA H 1 2.985 0.005 . 1 . . . . 22 Leu HA . 16345 1 220 . 1 1 22 22 LEU HB2 H 1 0.853 0.005 . 2 . . . . 22 Leu HB1 . 16345 1 221 . 1 1 22 22 LEU HB3 H 1 1.626 0.005 . 2 . . . . 22 Leu HB2 . 16345 1 222 . 1 1 22 22 LEU HD11 H 1 0.508 0.005 . 1 . . . . 22 Leu HD . 16345 1 223 . 1 1 22 22 LEU HD12 H 1 0.508 0.005 . 1 . . . . 22 Leu HD . 16345 1 224 . 1 1 22 22 LEU HD13 H 1 0.508 0.005 . 1 . . . . 22 Leu HD . 16345 1 225 . 1 1 22 22 LEU HD21 H 1 0.508 0.005 . 1 . . . . 22 Leu HD . 16345 1 226 . 1 1 22 22 LEU HD22 H 1 0.508 0.005 . 1 . . . . 22 Leu HD . 16345 1 227 . 1 1 22 22 LEU HD23 H 1 0.508 0.005 . 1 . . . . 22 Leu HD . 16345 1 228 . 1 1 22 22 LEU HG H 1 1.030 0.005 . 1 . . . . 22 Leu HG . 16345 1 229 . 1 1 22 22 LEU C C 13 177.512 0.050 . 1 . . . . 22 Leu CO . 16345 1 230 . 1 1 22 22 LEU CA C 13 58.434 0.050 . 1 . . . . 22 Leu CA . 16345 1 231 . 1 1 22 22 LEU CB C 13 39.524 0.050 . 1 . . . . 22 Leu CB . 16345 1 232 . 1 1 22 22 LEU CD1 C 13 20.678 0.050 . 1 . . . . 22 Leu CD . 16345 1 233 . 1 1 22 22 LEU CD2 C 13 20.678 0.050 . 1 . . . . 22 Leu CD . 16345 1 234 . 1 1 22 22 LEU CG C 13 24.998 0.050 . 1 . . . . 22 Leu CG . 16345 1 235 . 1 1 22 22 LEU N N 15 122.486 0.050 . 1 . . . . 22 Leu N . 16345 1 236 . 1 1 23 23 ALA H H 1 7.915 0.005 . 1 . . . . 23 Ala HN . 16345 1 237 . 1 1 23 23 ALA HA H 1 3.502 0.005 . 1 . . . . 23 Ala HA . 16345 1 238 . 1 1 23 23 ALA HB1 H 1 1.232 0.005 . 1 . . . . 23 Ala HB . 16345 1 239 . 1 1 23 23 ALA HB2 H 1 1.232 0.005 . 1 . . . . 23 Ala HB . 16345 1 240 . 1 1 23 23 ALA HB3 H 1 1.232 0.005 . 1 . . . . 23 Ala HB . 16345 1 241 . 1 1 23 23 ALA C C 13 178.478 0.050 . 1 . . . . 23 Ala CO . 16345 1 242 . 1 1 23 23 ALA CA C 13 56.579 0.050 . 1 . . . . 23 Ala CA . 16345 1 243 . 1 1 23 23 ALA CB C 13 14.502 0.050 . 1 . . . . 23 Ala CB . 16345 1 244 . 1 1 23 23 ALA N N 15 119.716 0.050 . 1 . . . . 23 Ala N . 16345 1 245 . 1 1 24 24 ARG H H 1 7.551 0.005 . 1 . . . . 24 Arg HN . 16345 1 246 . 1 1 24 24 ARG HA H 1 3.758 0.005 . 1 . . . . 24 Arg HA . 16345 1 247 . 1 1 24 24 ARG HB2 H 1 1.838 0.005 . 1 . . . . 24 Arg HB . 16345 1 248 . 1 1 24 24 ARG HB3 H 1 1.838 0.005 . 1 . . . . 24 Arg HB . 16345 1 249 . 1 1 24 24 ARG HD2 H 1 3.167 0.005 . 1 . . . . 24 Arg HD . 16345 1 250 . 1 1 24 24 ARG HD3 H 1 3.167 0.005 . 1 . . . . 24 Arg HD . 16345 1 251 . 1 1 24 24 ARG HG2 H 1 1.670 0.005 . 1 . . . . 24 Arg HG . 16345 1 252 . 1 1 24 24 ARG HG3 H 1 1.670 0.005 . 1 . . . . 24 Arg HG . 16345 1 253 . 1 1 24 24 ARG C C 13 178.463 0.050 . 1 . . . . 24 Arg CO . 16345 1 254 . 1 1 24 24 ARG CA C 13 60.795 0.050 . 1 . . . . 24 Arg CA . 16345 1 255 . 1 1 24 24 ARG CB C 13 27.943 0.050 . 1 . . . . 24 Arg CB . 16345 1 256 . 1 1 24 24 ARG CD C 13 42.691 0.050 . 1 . . . . 24 Arg CD . 16345 1 257 . 1 1 24 24 ARG CG C 13 25.027 0.050 . 1 . . . . 24 Arg CG . 16345 1 258 . 1 1 24 24 ARG N N 15 115.532 0.050 . 1 . . . . 24 Arg N . 16345 1 259 . 1 1 25 25 GLU H H 1 7.657 0.005 . 1 . . . . 25 Glu HN . 16345 1 260 . 1 1 25 25 GLU HA H 1 3.939 0.005 . 1 . . . . 25 Glu HA . 16345 1 261 . 1 1 25 25 GLU HB2 H 1 1.900 0.005 . 2 . . . . 25 Glu HB1 . 16345 1 262 . 1 1 25 25 GLU HB3 H 1 2.172 0.005 . 2 . . . . 25 Glu HB2 . 16345 1 263 . 1 1 25 25 GLU HG2 H 1 2.198 0.005 . 1 . . . . 25 Glu HG . 16345 1 264 . 1 1 25 25 GLU HG3 H 1 2.198 0.005 . 1 . . . . 25 Glu HG . 16345 1 265 . 1 1 25 25 GLU C C 13 179.763 0.050 . 1 . . . . 25 Glu CO . 16345 1 266 . 1 1 25 25 GLU CA C 13 60.161 0.050 . 1 . . . . 25 Glu CA . 16345 1 267 . 1 1 25 25 GLU CB C 13 26.812 0.050 . 1 . . . . 25 Glu CB . 16345 1 268 . 1 1 25 25 GLU CG C 13 34.278 0.050 . 1 . . . . 25 Glu CG . 16345 1 269 . 1 1 25 25 GLU N N 15 119.631 0.050 . 1 . . . . 25 Glu N . 16345 1 270 . 1 1 26 26 LEU H H 1 8.183 0.005 . 1 . . . . 26 Leu HN . 16345 1 271 . 1 1 26 26 LEU HA H 1 3.938 0.005 . 1 . . . . 26 Leu HA . 16345 1 272 . 1 1 26 26 LEU HB2 H 1 1.044 0.005 . 2 . . . . 26 Leu HB1 . 16345 1 273 . 1 1 26 26 LEU HB3 H 1 1.849 0.005 . 2 . . . . 26 Leu HB2 . 16345 1 274 . 1 1 26 26 LEU HD11 H 1 0.501 0.005 . 1 . . . . 26 Leu HD . 16345 1 275 . 1 1 26 26 LEU HD12 H 1 0.501 0.005 . 1 . . . . 26 Leu HD . 16345 1 276 . 1 1 26 26 LEU HD13 H 1 0.501 0.005 . 1 . . . . 26 Leu HD . 16345 1 277 . 1 1 26 26 LEU HD21 H 1 0.501 0.005 . 1 . . . . 26 Leu HD . 16345 1 278 . 1 1 26 26 LEU HD22 H 1 0.501 0.005 . 1 . . . . 26 Leu HD . 16345 1 279 . 1 1 26 26 LEU HD23 H 1 0.501 0.005 . 1 . . . . 26 Leu HD . 16345 1 280 . 1 1 26 26 LEU HG H 1 1.739 0.005 . 1 . . . . 26 Leu HG . 16345 1 281 . 1 1 26 26 LEU C C 13 178.114 0.050 . 1 . . . . 26 Leu CO . 16345 1 282 . 1 1 26 26 LEU CA C 13 57.829 0.050 . 1 . . . . 26 Leu CA . 16345 1 283 . 1 1 26 26 LEU CB C 13 42.226 0.050 . 1 . . . . 26 Leu CB . 16345 1 284 . 1 1 26 26 LEU CD1 C 13 23.876 0.050 . 1 . . . . 26 Leu CD . 16345 1 285 . 1 1 26 26 LEU CD2 C 13 23.876 0.050 . 1 . . . . 26 Leu CD . 16345 1 286 . 1 1 26 26 LEU CG C 13 23.822 0.050 . 1 . . . . 26 Leu CG . 16345 1 287 . 1 1 26 26 LEU N N 15 117.864 0.050 . 1 . . . . 26 Leu N . 16345 1 288 . 1 1 27 27 ARG H H 1 7.449 0.005 . 1 . . . . 27 Arg HN . 16345 1 289 . 1 1 27 27 ARG HA H 1 3.855 0.005 . 1 . . . . 27 Arg HA . 16345 1 290 . 1 1 27 27 ARG HB2 H 1 1.719 0.005 . 2 . . . . 27 Arg HB1 . 16345 1 291 . 1 1 27 27 ARG HB3 H 1 1.822 0.005 . 2 . . . . 27 Arg HB2 . 16345 1 292 . 1 1 27 27 ARG HD2 H 1 3.072 0.005 . 1 . . . . 27 Arg HD . 16345 1 293 . 1 1 27 27 ARG HD3 H 1 3.072 0.005 . 1 . . . . 27 Arg HD . 16345 1 294 . 1 1 27 27 ARG HE H 1 7.322 0.005 . 1 . . . . 27 Arg HE . 16345 1 295 . 1 1 27 27 ARG HG2 H 1 1.442 0.005 . 1 . . . . 27 Arg HG . 16345 1 296 . 1 1 27 27 ARG HG3 H 1 1.442 0.005 . 1 . . . . 27 Arg HG . 16345 1 297 . 1 1 27 27 ARG C C 13 177.225 0.050 . 1 . . . . 27 Arg CO . 16345 1 298 . 1 1 27 27 ARG CA C 13 58.517 0.050 . 1 . . . . 27 Arg CA . 16345 1 299 . 1 1 27 27 ARG CB C 13 28.990 0.050 . 1 . . . . 27 Arg CB . 16345 1 300 . 1 1 27 27 ARG CG C 13 27.401 0.050 . 1 . . . . 27 Arg CG . 16345 1 301 . 1 1 27 27 ARG N N 15 113.181 0.050 . 1 . . . . 27 Arg N . 16345 1 302 . 1 1 27 27 ARG NE N 15 118.359 0.050 . 1 . . . . 27 Arg NE . 16345 1 303 . 1 1 28 28 ILE H H 1 7.192 0.005 . 1 . . . . 28 Ile HN . 16345 1 304 . 1 1 28 28 ILE HA H 1 3.877 0.005 . 1 . . . . 28 Ile HA . 16345 1 305 . 1 1 28 28 ILE HB H 1 1.928 0.005 . 1 . . . . 28 Ile HB . 16345 1 306 . 1 1 28 28 ILE HD11 H 1 0.893 0.005 . 1 . . . . 28 Ile HD1 . 16345 1 307 . 1 1 28 28 ILE HD12 H 1 0.893 0.005 . 1 . . . . 28 Ile HD1 . 16345 1 308 . 1 1 28 28 ILE HD13 H 1 0.893 0.005 . 1 . . . . 28 Ile HD1 . 16345 1 309 . 1 1 28 28 ILE HG12 H 1 1.285 0.005 . 2 . . . . 28 Ile HG11 . 16345 1 310 . 1 1 28 28 ILE HG13 H 1 1.544 0.005 . 2 . . . . 28 Ile HG12 . 16345 1 311 . 1 1 28 28 ILE HG21 H 1 1.538 0.005 . 1 . . . . 28 Ile HG2 . 16345 1 312 . 1 1 28 28 ILE HG22 H 1 1.538 0.005 . 1 . . . . 28 Ile HG2 . 16345 1 313 . 1 1 28 28 ILE HG23 H 1 1.538 0.005 . 1 . . . . 28 Ile HG2 . 16345 1 314 . 1 1 28 28 ILE C C 13 176.989 0.050 . 1 . . . . 28 Ile CO . 16345 1 315 . 1 1 28 28 ILE CA C 13 64.962 0.050 . 1 . . . . 28 Ile CA . 16345 1 316 . 1 1 28 28 ILE CB C 13 37.247 0.050 . 1 . . . . 28 Ile CB . 16345 1 317 . 1 1 28 28 ILE CD1 C 13 10.968 0.050 . 1 . . . . 28 Ile CD1 . 16345 1 318 . 1 1 28 28 ILE CG1 C 13 25.450 0.050 . 1 . . . . 28 Ile CG1 . 16345 1 319 . 1 1 28 28 ILE CG2 C 13 13.956 0.050 . 1 . . . . 28 Ile CG2 . 16345 1 320 . 1 1 28 28 ILE N N 15 115.800 0.050 . 1 . . . . 28 Ile N . 16345 1 321 . 1 1 29 29 ARG H H 1 6.754 0.005 . 1 . . . . 29 Arg HN . 16345 1 322 . 1 1 29 29 ARG HA H 1 4.139 0.005 . 1 . . . . 29 Arg HA . 16345 1 323 . 1 1 29 29 ARG HB2 H 1 1.683 0.005 . 2 . . . . 29 Arg HB1 . 16345 1 324 . 1 1 29 29 ARG HB3 H 1 2.195 0.005 . 2 . . . . 29 Arg HB2 . 16345 1 325 . 1 1 29 29 ARG HG2 H 1 1.887 0.005 . 2 . . . . 29 Arg HG2 . 16345 1 326 . 1 1 29 29 ARG C C 13 177.348 0.050 . 1 . . . . 29 Arg CO . 16345 1 327 . 1 1 29 29 ARG CA C 13 56.593 0.050 . 1 . . . . 29 Arg CA . 16345 1 328 . 1 1 29 29 ARG CB C 13 27.110 0.050 . 1 . . . . 29 Arg CB . 16345 1 329 . 1 1 29 29 ARG CG C 13 24.206 0.050 . 1 . . . . 29 Arg CG . 16345 1 330 . 1 1 29 29 ARG N N 15 119.484 0.050 . 1 . . . . 29 Arg N . 16345 1 331 . 1 1 30 30 ASP H H 1 8.451 0.005 . 1 . . . . 30 Asp HN . 16345 1 332 . 1 1 30 30 ASP HA H 1 4.260 0.005 . 1 . . . . 30 Asp HA . 16345 1 333 . 1 1 30 30 ASP HB2 H 1 2.520 0.005 . 1 . . . . 30 Asp HB . 16345 1 334 . 1 1 30 30 ASP HB3 H 1 2.520 0.005 . 1 . . . . 30 Asp HB . 16345 1 335 . 1 1 30 30 ASP C C 13 177.812 0.050 . 1 . . . . 30 Asp CO . 16345 1 336 . 1 1 30 30 ASP CA C 13 57.924 0.050 . 1 . . . . 30 Asp CA . 16345 1 337 . 1 1 30 30 ASP CB C 13 40.058 0.050 . 1 . . . . 30 Asp CB . 16345 1 338 . 1 1 30 30 ASP N N 15 123.641 0.050 . 1 . . . . 30 Asp N . 16345 1 339 . 1 1 31 31 ASN H H 1 8.827 0.005 . 1 . . . . 31 Asn HN . 16345 1 340 . 1 1 31 31 ASN HA H 1 4.777 0.005 . 1 . . . . 31 Asn HA . 16345 1 341 . 1 1 31 31 ASN HB2 H 1 2.532 0.005 . 2 . . . . 31 Asn HB1 . 16345 1 342 . 1 1 31 31 ASN HB3 H 1 2.701 0.005 . 2 . . . . 31 Asn HB2 . 16345 1 343 . 1 1 31 31 ASN HD21 H 1 7.254 0.005 . 1 . . . . 31 Asn HD21 . 16345 1 344 . 1 1 31 31 ASN HD22 H 1 7.936 0.005 . 1 . . . . 31 Asn HD22 . 16345 1 345 . 1 1 31 31 ASN C C 13 174.645 0.050 . 1 . . . . 31 Asn CO . 16345 1 346 . 1 1 31 31 ASN CA C 13 54.466 0.050 . 1 . . . . 31 Asn CA . 16345 1 347 . 1 1 31 31 ASN CB C 13 37.621 0.050 . 1 . . . . 31 Asn CB . 16345 1 348 . 1 1 31 31 ASN N N 15 112.298 0.050 . 1 . . . . 31 Asn N . 16345 1 349 . 1 1 31 31 ASN ND2 N 15 115.583 0.050 . 1 . . . . 31 Asn ND2 . 16345 1 350 . 1 1 32 32 VAL H H 1 7.724 0.005 . 1 . . . . 32 Val HN . 16345 1 351 . 1 1 32 32 VAL HA H 1 3.960 0.005 . 1 . . . . 32 Val HA . 16345 1 352 . 1 1 32 32 VAL HB H 1 2.283 0.005 . 1 . . . . 32 Val HB . 16345 1 353 . 1 1 32 32 VAL HG11 H 1 0.751 0.005 . 2 . . . . 32 Val HG1 . 16345 1 354 . 1 1 32 32 VAL HG12 H 1 0.751 0.005 . 2 . . . . 32 Val HG1 . 16345 1 355 . 1 1 32 32 VAL HG13 H 1 0.751 0.005 . 2 . . . . 32 Val HG1 . 16345 1 356 . 1 1 32 32 VAL HG21 H 1 0.634 0.005 . 2 . . . . 32 Val HG2 . 16345 1 357 . 1 1 32 32 VAL HG22 H 1 0.634 0.005 . 2 . . . . 32 Val HG2 . 16345 1 358 . 1 1 32 32 VAL HG23 H 1 0.634 0.005 . 2 . . . . 32 Val HG2 . 16345 1 359 . 1 1 32 32 VAL C C 13 174.991 0.050 . 1 . . . . 32 Val CO . 16345 1 360 . 1 1 32 32 VAL CA C 13 64.600 0.050 . 1 . . . . 32 Val CA . 16345 1 361 . 1 1 32 32 VAL CB C 13 28.967 0.050 . 1 . . . . 32 Val CB . 16345 1 362 . 1 1 32 32 VAL CG1 C 13 19.205 0.050 . 2 . . . . 32 Val CG1 . 16345 1 363 . 1 1 32 32 VAL CG2 C 13 20.042 0.050 . 2 . . . . 32 Val CG2 . 16345 1 364 . 1 1 32 32 VAL N N 15 122.128 0.050 . 1 . . . . 32 Val N . 16345 1 365 . 1 1 33 33 ARG H H 1 9.200 0.005 . 1 . . . . 33 Arg HN . 16345 1 366 . 1 1 33 33 ARG HA H 1 4.326 0.005 . 1 . . . . 33 Arg HA . 16345 1 367 . 1 1 33 33 ARG HB2 H 1 1.387 0.005 . 2 . . . . 33 Arg HB1 . 16345 1 368 . 1 1 33 33 ARG HB3 H 1 1.700 0.005 . 2 . . . . 33 Arg HB2 . 16345 1 369 . 1 1 33 33 ARG HG2 H 1 1.510 0.005 . 1 . . . . 33 Arg HG . 16345 1 370 . 1 1 33 33 ARG HG3 H 1 1.510 0.005 . 1 . . . . 33 Arg HG . 16345 1 371 . 1 1 33 33 ARG C C 13 176.978 0.050 . 1 . . . . 33 Arg CO . 16345 1 372 . 1 1 33 33 ARG CA C 13 56.644 0.050 . 1 . . . . 33 Arg CA . 16345 1 373 . 1 1 33 33 ARG CB C 13 28.888 0.050 . 1 . . . . 33 Arg CB . 16345 1 374 . 1 1 33 33 ARG CG C 13 23.866 0.050 . 1 . . . . 33 Arg CG . 16345 1 375 . 1 1 33 33 ARG N N 15 126.605 0.050 . 1 . . . . 33 Arg N . 16345 1 376 . 1 1 34 34 ARG H H 1 7.616 0.005 . 1 . . . . 34 Arg HN . 16345 1 377 . 1 1 34 34 ARG HA H 1 4.462 0.005 . 1 . . . . 34 Arg HA . 16345 1 378 . 1 1 34 34 ARG HB2 H 1 1.562 0.005 . 1 . . . . 34 Arg HB . 16345 1 379 . 1 1 34 34 ARG HB3 H 1 1.562 0.005 . 1 . . . . 34 Arg HB . 16345 1 380 . 1 1 34 34 ARG C C 13 173.450 0.050 . 1 . . . . 34 Arg CO . 16345 1 381 . 1 1 34 34 ARG CA C 13 56.783 0.050 . 1 . . . . 34 Arg CA . 16345 1 382 . 1 1 34 34 ARG CB C 13 32.673 0.050 . 1 . . . . 34 Arg CB . 16345 1 383 . 1 1 34 34 ARG CG C 13 24.644 0.050 . 1 . . . . 34 Arg CG . 16345 1 384 . 1 1 34 34 ARG N N 15 116.839 0.050 . 1 . . . . 34 Arg N . 16345 1 385 . 1 1 35 35 VAL H H 1 8.908 0.005 . 1 . . . . 35 Val HN . 16345 1 386 . 1 1 35 35 VAL HA H 1 4.794 0.005 . 1 . . . . 35 Val HA . 16345 1 387 . 1 1 35 35 VAL HB H 1 1.745 0.005 . 1 . . . . 35 Val HB . 16345 1 388 . 1 1 35 35 VAL HG11 H 1 0.698 0.005 . 2 . . . . 35 Val HG1 . 16345 1 389 . 1 1 35 35 VAL HG12 H 1 0.698 0.005 . 2 . . . . 35 Val HG1 . 16345 1 390 . 1 1 35 35 VAL HG13 H 1 0.698 0.005 . 2 . . . . 35 Val HG1 . 16345 1 391 . 1 1 35 35 VAL HG21 H 1 0.745 0.005 . 2 . . . . 35 Val HG2 . 16345 1 392 . 1 1 35 35 VAL HG22 H 1 0.745 0.005 . 2 . . . . 35 Val HG2 . 16345 1 393 . 1 1 35 35 VAL HG23 H 1 0.745 0.005 . 2 . . . . 35 Val HG2 . 16345 1 394 . 1 1 35 35 VAL C C 13 174.646 0.050 . 1 . . . . 35 Val CO . 16345 1 395 . 1 1 35 35 VAL CA C 13 62.654 0.050 . 1 . . . . 35 Val CA . 16345 1 396 . 1 1 35 35 VAL CB C 13 33.379 0.050 . 1 . . . . 35 Val CB . 16345 1 397 . 1 1 35 35 VAL CG1 C 13 17.464 0.050 . 2 . . . . 35 Val CG1 . 16345 1 398 . 1 1 35 35 VAL CG2 C 13 19.834 0.050 . 2 . . . . 35 Val CG2 . 16345 1 399 . 1 1 35 35 VAL N N 15 123.848 0.050 . 1 . . . . 35 Val N . 16345 1 400 . 1 1 36 36 MET H H 1 9.103 0.005 . 1 . . . . 36 Met HN . 16345 1 401 . 1 1 36 36 MET HA H 1 4.791 0.005 . 1 . . . . 36 Met HA . 16345 1 402 . 1 1 36 36 MET HB2 H 1 1.915 0.005 . 2 . . . . 36 Met HB1 . 16345 1 403 . 1 1 36 36 MET HB3 H 1 2.050 0.005 . 2 . . . . 36 Met HB2 . 16345 1 404 . 1 1 36 36 MET HG2 H 1 2.436 0.005 . 1 . . . . 36 Met HG . 16345 1 405 . 1 1 36 36 MET HG3 H 1 2.436 0.005 . 1 . . . . 36 Met HG . 16345 1 406 . 1 1 36 36 MET C C 13 174.325 0.050 . 1 . . . . 36 Met CO . 16345 1 407 . 1 1 36 36 MET CA C 13 55.360 0.050 . 1 . . . . 36 Met CA . 16345 1 408 . 1 1 36 36 MET CB C 13 34.581 0.050 . 1 . . . . 36 Met CB . 16345 1 409 . 1 1 36 36 MET CG C 13 30.109 0.050 . 1 . . . . 36 Met CG . 16345 1 410 . 1 1 36 36 MET N N 15 127.536 0.050 . 1 . . . . 36 Met N . 16345 1 411 . 1 1 37 37 VAL H H 1 9.031 0.005 . 1 . . . . 37 Val HN . 16345 1 412 . 1 1 37 37 VAL HA H 1 4.960 0.005 . 1 . . . . 37 Val HA . 16345 1 413 . 1 1 37 37 VAL HB H 1 1.878 0.005 . 1 . . . . 37 Val HB . 16345 1 414 . 1 1 37 37 VAL HG11 H 1 0.689 0.005 . 1 . . . . 37 Val HG . 16345 1 415 . 1 1 37 37 VAL HG12 H 1 0.689 0.005 . 1 . . . . 37 Val HG . 16345 1 416 . 1 1 37 37 VAL HG13 H 1 0.689 0.005 . 1 . . . . 37 Val HG . 16345 1 417 . 1 1 37 37 VAL HG21 H 1 0.689 0.005 . 1 . . . . 37 Val HG . 16345 1 418 . 1 1 37 37 VAL HG22 H 1 0.689 0.005 . 1 . . . . 37 Val HG . 16345 1 419 . 1 1 37 37 VAL HG23 H 1 0.689 0.005 . 1 . . . . 37 Val HG . 16345 1 420 . 1 1 37 37 VAL C C 13 175.015 0.050 . 1 . . . . 37 Val CO . 16345 1 421 . 1 1 37 37 VAL CA C 13 59.212 0.050 . 1 . . . . 37 Val CA . 16345 1 422 . 1 1 37 37 VAL CB C 13 30.782 0.050 . 1 . . . . 37 Val CB . 16345 1 423 . 1 1 37 37 VAL CG1 C 13 19.482 0.050 . 1 . . . . 37 Val CG1 . 16345 1 424 . 1 1 37 37 VAL CG2 C 13 19.482 0.050 . 1 . . . . 37 Val CG2 . 16345 1 425 . 1 1 37 37 VAL N N 15 127.916 0.050 . 1 . . . . 37 Val N . 16345 1 426 . 1 1 38 38 VAL H H 1 9.099 0.005 . 1 . . . . 38 Val HN . 16345 1 427 . 1 1 38 38 VAL HA H 1 4.538 0.005 . 1 . . . . 38 Val HA . 16345 1 428 . 1 1 38 38 VAL HB H 1 2.124 0.005 . 1 . . . . 38 Val HB . 16345 1 429 . 1 1 38 38 VAL HG11 H 1 0.925 0.005 . 2 . . . . 38 Val HG1 . 16345 1 430 . 1 1 38 38 VAL HG12 H 1 0.925 0.005 . 2 . . . . 38 Val HG1 . 16345 1 431 . 1 1 38 38 VAL HG13 H 1 0.925 0.005 . 2 . . . . 38 Val HG1 . 16345 1 432 . 1 1 38 38 VAL HG21 H 1 0.958 0.005 . 2 . . . . 38 Val HG2 . 16345 1 433 . 1 1 38 38 VAL HG22 H 1 0.958 0.005 . 2 . . . . 38 Val HG2 . 16345 1 434 . 1 1 38 38 VAL HG23 H 1 0.958 0.005 . 2 . . . . 38 Val HG2 . 16345 1 435 . 1 1 38 38 VAL C C 13 174.879 0.050 . 1 . . . . 38 Val CO . 16345 1 436 . 1 1 38 38 VAL CA C 13 61.400 0.050 . 1 . . . . 38 Val CA . 16345 1 437 . 1 1 38 38 VAL CB C 13 34.136 0.050 . 1 . . . . 38 Val CB . 16345 1 438 . 1 1 38 38 VAL CG1 C 13 17.805 0.050 . 1 . . . . 38 Val CG1 . 16345 1 439 . 1 1 38 38 VAL CG2 C 13 17.805 0.050 . 1 . . . . 38 Val CG2 . 16345 1 440 . 1 1 38 38 VAL N N 15 126.330 0.050 . 1 . . . . 38 Val N . 16345 1 441 . 1 1 39 39 ALA H H 1 8.920 0.005 . 1 . . . . 39 Ala HN . 16345 1 442 . 1 1 39 39 ALA HA H 1 4.074 0.005 . 1 . . . . 39 Ala HA . 16345 1 443 . 1 1 39 39 ALA HB1 H 1 1.383 0.005 . 1 . . . . 39 Ala HB . 16345 1 444 . 1 1 39 39 ALA HB2 H 1 1.383 0.005 . 1 . . . . 39 Ala HB . 16345 1 445 . 1 1 39 39 ALA HB3 H 1 1.383 0.005 . 1 . . . . 39 Ala HB . 16345 1 446 . 1 1 39 39 ALA C C 13 177.479 0.050 . 1 . . . . 39 Ala CO . 16345 1 447 . 1 1 39 39 ALA CA C 13 53.826 0.050 . 1 . . . . 39 Ala CA . 16345 1 448 . 1 1 39 39 ALA CB C 13 15.501 0.050 . 1 . . . . 39 Ala CB . 16345 1 449 . 1 1 39 39 ALA N N 15 129.245 0.050 . 1 . . . . 39 Ala N . 16345 1 450 . 1 1 40 40 SER H H 1 7.684 0.005 . 1 . . . . 40 Ser HN . 16345 1 451 . 1 1 40 40 SER HA H 1 4.454 0.005 . 1 . . . . 40 Ser HA . 16345 1 452 . 1 1 40 40 SER HB2 H 1 3.565 0.005 . 2 . . . . 40 Ser HB1 . 16345 1 453 . 1 1 40 40 SER HB3 H 1 3.735 0.005 . 2 . . . . 40 Ser HB2 . 16345 1 454 . 1 1 40 40 SER C C 13 174.935 0.050 . 1 . . . . 40 Ser CO . 16345 1 455 . 1 1 40 40 SER CA C 13 57.610 0.050 . 1 . . . . 40 Ser CA . 16345 1 456 . 1 1 40 40 SER CB C 13 65.562 0.050 . 1 . . . . 40 Ser CB . 16345 1 457 . 1 1 40 40 SER N N 15 116.522 0.050 . 1 . . . . 40 Ser N . 16345 1 458 . 1 1 41 41 THR H H 1 8.305 0.005 . 1 . . . . 41 Thr HN . 16345 1 459 . 1 1 41 41 THR HA H 1 4.049 0.005 . 1 . . . . 41 Thr HA . 16345 1 460 . 1 1 41 41 THR HB H 1 4.335 0.005 . 1 . . . . 41 Thr HB . 16345 1 461 . 1 1 41 41 THR HG21 H 1 1.245 0.005 . 1 . . . . 41 Thr HG2 . 16345 1 462 . 1 1 41 41 THR HG22 H 1 1.245 0.005 . 1 . . . . 41 Thr HG2 . 16345 1 463 . 1 1 41 41 THR HG23 H 1 1.245 0.005 . 1 . . . . 41 Thr HG2 . 16345 1 464 . 1 1 41 41 THR C C 13 175.871 0.050 . 1 . . . . 41 Thr CO . 16345 1 465 . 1 1 41 41 THR CA C 13 65.558 0.050 . 1 . . . . 41 Thr CA . 16345 1 466 . 1 1 41 41 THR CB C 13 70.789 0.050 . 1 . . . . 41 Thr CB . 16345 1 467 . 1 1 41 41 THR CG2 C 13 19.369 0.050 . 1 . . . . 41 Thr CG2 . 16345 1 468 . 1 1 41 41 THR N N 15 114.349 0.050 . 1 . . . . 41 Thr N . 16345 1 469 . 1 1 42 42 THR H H 1 8.213 0.005 . 1 . . . . 42 Thr HN . 16345 1 470 . 1 1 42 42 THR HA H 1 4.489 0.005 . 1 . . . . 42 Thr HA . 16345 1 471 . 1 1 42 42 THR HB H 1 3.845 0.005 . 1 . . . . 42 Thr HB . 16345 1 472 . 1 1 42 42 THR HG21 H 1 1.116 0.005 . 1 . . . . 42 Thr HG2 . 16345 1 473 . 1 1 42 42 THR HG22 H 1 1.116 0.005 . 1 . . . . 42 Thr HG2 . 16345 1 474 . 1 1 42 42 THR HG23 H 1 1.116 0.005 . 1 . . . . 42 Thr HG2 . 16345 1 475 . 1 1 42 42 THR CA C 13 61.463 0.050 . 1 . . . . 42 Thr CA . 16345 1 476 . 1 1 42 42 THR CB C 13 71.750 0.050 . 1 . . . . 42 Thr CB . 16345 1 477 . 1 1 42 42 THR CG2 C 13 17.754 0.050 . 1 . . . . 42 Thr CG2 . 16345 1 478 . 1 1 42 42 THR N N 15 120.883 0.050 . 1 . . . . 42 Thr N . 16345 1 479 . 1 1 43 43 PRO HA H 1 4.201 0.005 . 1 . . . . 43 Pro HA . 16345 1 480 . 1 1 43 43 PRO HB2 H 1 1.814 0.005 . 2 . . . . 43 Pro HB1 . 16345 1 481 . 1 1 43 43 PRO HB3 H 1 2.265 0.005 . 2 . . . . 43 Pro HB2 . 16345 1 482 . 1 1 43 43 PRO C C 13 177.674 0.050 . 1 . . . . 43 Pro CO . 16345 1 483 . 1 1 43 43 PRO CA C 13 65.433 0.050 . 1 . . . . 43 Pro CA . 16345 1 484 . 1 1 43 43 PRO CB C 13 30.126 0.050 . 1 . . . . 43 Pro CB . 16345 1 485 . 1 1 43 43 PRO CG C 13 25.295 0.050 . 1 . . . . 43 Pro CG . 16345 1 486 . 1 1 44 44 GLY H H 1 8.491 0.005 . 1 . . . . 44 Gly HN . 16345 1 487 . 1 1 44 44 GLY HA2 H 1 3.870 0.005 . 1 . . . . 44 Gly HA1 . 16345 1 488 . 1 1 44 44 GLY HA3 H 1 4.204 0.005 . 1 . . . . 44 Gly HA2 . 16345 1 489 . 1 1 44 44 GLY C C 13 172.769 0.050 . 1 . . . . 44 Gly CO . 16345 1 490 . 1 1 44 44 GLY CA C 13 45.230 0.050 . 1 . . . . 44 Gly CA . 16345 1 491 . 1 1 44 44 GLY N N 15 111.892 0.050 . 1 . . . . 44 Gly N . 16345 1 492 . 1 1 45 45 ARG H H 1 7.361 0.005 . 1 . . . . 45 Arg HN . 16345 1 493 . 1 1 45 45 ARG HA H 1 5.421 0.005 . 1 . . . . 45 Arg HA . 16345 1 494 . 1 1 45 45 ARG HB2 H 1 1.585 0.005 . 2 . . . . 45 Arg HB1 . 16345 1 495 . 1 1 45 45 ARG HB3 H 1 1.755 0.005 . 2 . . . . 45 Arg HB2 . 16345 1 496 . 1 1 45 45 ARG HD2 H 1 2.862 0.005 . 1 . . . . 45 Arg HD . 16345 1 497 . 1 1 45 45 ARG HD3 H 1 2.862 0.005 . 1 . . . . 45 Arg HD . 16345 1 498 . 1 1 45 45 ARG HE H 1 8.428 0.005 . 1 . . . . 45 Arg HE . 16345 1 499 . 1 1 45 45 ARG HG2 H 1 1.487 0.005 . 1 . . . . 45 Arg HG . 16345 1 500 . 1 1 45 45 ARG HG3 H 1 1.487 0.005 . 1 . . . . 45 Arg HG . 16345 1 501 . 1 1 45 45 ARG C C 13 175.535 0.050 . 1 . . . . 45 Arg CO . 16345 1 502 . 1 1 45 45 ARG CA C 13 54.565 0.050 . 1 . . . . 45 Arg CA . 16345 1 503 . 1 1 45 45 ARG CB C 13 30.852 0.050 . 1 . . . . 45 Arg CB . 16345 1 504 . 1 1 45 45 ARG CD C 13 42.835 0.050 . 1 . . . . 45 Arg CD . 16345 1 505 . 1 1 45 45 ARG CG C 13 26.211 0.050 . 1 . . . . 45 Arg CG . 16345 1 506 . 1 1 45 45 ARG N N 15 117.845 0.050 . 1 . . . . 45 Arg N . 16345 1 507 . 1 1 45 45 ARG NE N 15 118.174 0.050 . 1 . . . . 45 Arg NE . 16345 1 508 . 1 1 46 46 TYR H H 1 9.148 0.005 . 1 . . . . 46 Tyr HN . 16345 1 509 . 1 1 46 46 TYR HA H 1 4.786 0.005 . 1 . . . . 46 Tyr HA . 16345 1 510 . 1 1 46 46 TYR HB2 H 1 2.127 0.005 . 2 . . . . 46 Tyr HB1 . 16345 1 511 . 1 1 46 46 TYR HB3 H 1 2.614 0.005 . 2 . . . . 46 Tyr HB2 . 16345 1 512 . 1 1 46 46 TYR HE1 H 1 6.641 0.005 . 1 . . . . 46 Tyr HE . 16345 1 513 . 1 1 46 46 TYR HE2 H 1 6.641 0.005 . 1 . . . . 46 Tyr HE . 16345 1 514 . 1 1 46 46 TYR C C 13 173.909 0.050 . 1 . . . . 46 Tyr CO . 16345 1 515 . 1 1 46 46 TYR CA C 13 58.401 0.050 . 1 . . . . 46 Tyr CA . 16345 1 516 . 1 1 46 46 TYR CB C 13 42.183 0.050 . 1 . . . . 46 Tyr CB . 16345 1 517 . 1 1 46 46 TYR N N 15 120.537 0.050 . 1 . . . . 46 Tyr N . 16345 1 518 . 1 1 47 47 GLU H H 1 9.460 0.005 . 1 . . . . 47 Glu HN . 16345 1 519 . 1 1 47 47 GLU HA H 1 4.930 0.005 . 1 . . . . 47 Glu HA . 16345 1 520 . 1 1 47 47 GLU HB2 H 1 1.910 0.005 . 2 . . . . 47 Glu HB1 . 16345 1 521 . 1 1 47 47 GLU HB3 H 1 1.997 0.005 . 2 . . . . 47 Glu HB2 . 16345 1 522 . 1 1 47 47 GLU HG2 H 1 2.219 0.005 . 1 . . . . 47 Glu HG . 16345 1 523 . 1 1 47 47 GLU HG3 H 1 2.219 0.005 . 1 . . . . 47 Glu HG . 16345 1 524 . 1 1 47 47 GLU C C 13 175.071 0.050 . 1 . . . . 47 Glu CO . 16345 1 525 . 1 1 47 47 GLU CA C 13 55.072 0.050 . 1 . . . . 47 Glu CA . 16345 1 526 . 1 1 47 47 GLU CB C 13 28.605 0.050 . 1 . . . . 47 Glu CB . 16345 1 527 . 1 1 47 47 GLU CG C 13 35.557 0.050 . 1 . . . . 47 Glu CG . 16345 1 528 . 1 1 47 47 GLU N N 15 121.014 0.050 . 1 . . . . 47 Glu N . 16345 1 529 . 1 1 48 48 VAL H H 1 9.318 0.005 . 1 . . . . 48 Val HN . 16345 1 530 . 1 1 48 48 VAL HA H 1 4.335 0.005 . 1 . . . . 48 Val HA . 16345 1 531 . 1 1 48 48 VAL HB H 1 2.023 0.005 . 1 . . . . 48 Val HB . 16345 1 532 . 1 1 48 48 VAL HG11 H 1 0.594 0.005 . 1 . . . . 48 Val HG . 16345 1 533 . 1 1 48 48 VAL HG12 H 1 0.594 0.005 . 1 . . . . 48 Val HG . 16345 1 534 . 1 1 48 48 VAL HG13 H 1 0.594 0.005 . 1 . . . . 48 Val HG . 16345 1 535 . 1 1 48 48 VAL HG21 H 1 0.594 0.005 . 1 . . . . 48 Val HG . 16345 1 536 . 1 1 48 48 VAL HG22 H 1 0.594 0.005 . 1 . . . . 48 Val HG . 16345 1 537 . 1 1 48 48 VAL HG23 H 1 0.594 0.005 . 1 . . . . 48 Val HG . 16345 1 538 . 1 1 48 48 VAL C C 13 173.909 0.050 . 1 . . . . 48 Val CO . 16345 1 539 . 1 1 48 48 VAL CA C 13 62.933 0.050 . 1 . . . . 48 Val CA . 16345 1 540 . 1 1 48 48 VAL CB C 13 31.161 0.050 . 1 . . . . 48 Val CB . 16345 1 541 . 1 1 48 48 VAL CG1 C 13 17.304 0.050 . 1 . . . . 48 Val CG1 . 16345 1 542 . 1 1 48 48 VAL CG2 C 13 17.304 0.050 . 1 . . . . 48 Val CG2 . 16345 1 543 . 1 1 48 48 VAL N N 15 124.892 0.050 . 1 . . . . 48 Val N . 16345 1 544 . 1 1 49 49 ASN H H 1 8.980 0.005 . 1 . . . . 49 Asn HN . 16345 1 545 . 1 1 49 49 ASN HA H 1 5.449 0.005 . 1 . . . . 49 Asn HA . 16345 1 546 . 1 1 49 49 ASN HB2 H 1 2.646 0.005 . 2 . . . . 49 Asn HB1 . 16345 1 547 . 1 1 49 49 ASN HB3 H 1 2.935 0.005 . 2 . . . . 49 Asn HB2 . 16345 1 548 . 1 1 49 49 ASN HD21 H 1 6.615 0.005 . 1 . . . . 49 Asn HD21 . 16345 1 549 . 1 1 49 49 ASN HD22 H 1 7.475 0.005 . 1 . . . . 49 Asn HD22 . 16345 1 550 . 1 1 49 49 ASN C C 13 174.034 0.050 . 1 . . . . 49 Asn CO . 16345 1 551 . 1 1 49 49 ASN CA C 13 53.063 0.050 . 1 . . . . 49 Asn CA . 16345 1 552 . 1 1 49 49 ASN CB C 13 40.785 0.050 . 1 . . . . 49 Asn CB . 16345 1 553 . 1 1 49 49 ASN N N 15 125.782 0.050 . 1 . . . . 49 Asn N . 16345 1 554 . 1 1 49 49 ASN ND2 N 15 111.387 0.050 . 1 . . . . 49 Asn ND2 . 16345 1 555 . 1 1 50 50 ILE H H 1 9.084 0.005 . 1 . . . . 50 Ile HN . 16345 1 556 . 1 1 50 50 ILE HA H 1 4.713 0.005 . 1 . . . . 50 Ile HA . 16345 1 557 . 1 1 50 50 ILE HB H 1 1.803 0.005 . 1 . . . . 50 Ile HB . 16345 1 558 . 1 1 50 50 ILE HD11 H 1 0.905 0.005 . 1 . . . . 50 Ile HD1 . 16345 1 559 . 1 1 50 50 ILE HD12 H 1 0.905 0.005 . 1 . . . . 50 Ile HD1 . 16345 1 560 . 1 1 50 50 ILE HD13 H 1 0.905 0.005 . 1 . . . . 50 Ile HD1 . 16345 1 561 . 1 1 50 50 ILE HG12 H 1 1.127 0.005 . 2 . . . . 50 Ile HG11 . 16345 1 562 . 1 1 50 50 ILE HG13 H 1 1.455 0.005 . 2 . . . . 50 Ile HG12 . 16345 1 563 . 1 1 50 50 ILE HG21 H 1 0.854 0.005 . 1 . . . . 50 Ile HG2 . 16345 1 564 . 1 1 50 50 ILE HG22 H 1 0.854 0.005 . 1 . . . . 50 Ile HG2 . 16345 1 565 . 1 1 50 50 ILE HG23 H 1 0.854 0.005 . 1 . . . . 50 Ile HG2 . 16345 1 566 . 1 1 50 50 ILE C C 13 173.243 0.050 . 1 . . . . 50 Ile CO . 16345 1 567 . 1 1 50 50 ILE CA C 13 61.553 0.050 . 1 . . . . 50 Ile CA . 16345 1 568 . 1 1 50 50 ILE CB C 13 41.154 0.050 . 1 . . . . 50 Ile CB . 16345 1 569 . 1 1 50 50 ILE CD1 C 13 9.451 0.050 . 1 . . . . 50 Ile CD1 . 16345 1 570 . 1 1 50 50 ILE CG1 C 13 25.999 0.050 . 1 . . . . 50 Ile CG1 . 16345 1 571 . 1 1 50 50 ILE CG2 C 13 14.313 0.050 . 1 . . . . 50 Ile CG2 . 16345 1 572 . 1 1 50 50 ILE N N 15 124.902 0.050 . 1 . . . . 50 Ile N . 16345 1 573 . 1 1 51 51 VAL H H 1 8.633 0.005 . 1 . . . . 51 Val HN . 16345 1 574 . 1 1 51 51 VAL HA H 1 4.404 0.005 . 1 . . . . 51 Val HA . 16345 1 575 . 1 1 51 51 VAL HB H 1 1.563 0.005 . 1 . . . . 51 Val HB . 16345 1 576 . 1 1 51 51 VAL HG11 H 1 0.002 0.005 . 2 . . . . 51 Val HG1 . 16345 1 577 . 1 1 51 51 VAL HG12 H 1 0.002 0.005 . 2 . . . . 51 Val HG1 . 16345 1 578 . 1 1 51 51 VAL HG13 H 1 0.002 0.005 . 2 . . . . 51 Val HG1 . 16345 1 579 . 1 1 51 51 VAL HG21 H 1 0.393 0.005 . 2 . . . . 51 Val HG2 . 16345 1 580 . 1 1 51 51 VAL HG22 H 1 0.393 0.005 . 2 . . . . 51 Val HG2 . 16345 1 581 . 1 1 51 51 VAL HG23 H 1 0.393 0.005 . 2 . . . . 51 Val HG2 . 16345 1 582 . 1 1 51 51 VAL C C 13 175.857 0.050 . 1 . . . . 51 Val CO . 16345 1 583 . 1 1 51 51 VAL CA C 13 61.912 0.050 . 1 . . . . 51 Val CA . 16345 1 584 . 1 1 51 51 VAL CB C 13 31.021 0.050 . 1 . . . . 51 Val CB . 16345 1 585 . 1 1 51 51 VAL CG1 C 13 17.324 0.050 . 2 . . . . 51 Val CG1 . 16345 1 586 . 1 1 51 51 VAL CG2 C 13 19.059 0.050 . 2 . . . . 51 Val CG2 . 16345 1 587 . 1 1 51 51 VAL N N 15 125.764 0.050 . 1 . . . . 51 Val N . 16345 1 588 . 1 1 52 52 LEU H H 1 9.802 0.005 . 1 . . . . 52 Leu HN . 16345 1 589 . 1 1 52 52 LEU HA H 1 5.231 0.005 . 1 . . . . 52 Leu HA . 16345 1 590 . 1 1 52 52 LEU HB2 H 1 1.475 0.005 . 2 . . . . 52 Leu HB1 . 16345 1 591 . 1 1 52 52 LEU HB3 H 1 1.930 0.005 . 2 . . . . 52 Leu HB2 . 16345 1 592 . 1 1 52 52 LEU HD11 H 1 0.724 0.005 . 1 . . . . 52 Leu HD . 16345 1 593 . 1 1 52 52 LEU HD12 H 1 0.724 0.005 . 1 . . . . 52 Leu HD . 16345 1 594 . 1 1 52 52 LEU HD13 H 1 0.724 0.005 . 1 . . . . 52 Leu HD . 16345 1 595 . 1 1 52 52 LEU HD21 H 1 0.724 0.005 . 1 . . . . 52 Leu HD . 16345 1 596 . 1 1 52 52 LEU HD22 H 1 0.724 0.005 . 1 . . . . 52 Leu HD . 16345 1 597 . 1 1 52 52 LEU HD23 H 1 0.724 0.005 . 1 . . . . 52 Leu HD . 16345 1 598 . 1 1 52 52 LEU HG H 1 1.633 0.005 . 1 . . . . 52 Leu HG . 16345 1 599 . 1 1 52 52 LEU C C 13 176.622 0.050 . 1 . . . . 52 Leu CO . 16345 1 600 . 1 1 52 52 LEU CA C 13 53.471 0.050 . 1 . . . . 52 Leu CA . 16345 1 601 . 1 1 52 52 LEU CB C 13 44.903 0.050 . 1 . . . . 52 Leu CB . 16345 1 602 . 1 1 52 52 LEU CD1 C 13 24.062 0.050 . 1 . . . . 52 Leu CD . 16345 1 603 . 1 1 52 52 LEU CD2 C 13 24.062 0.050 . 1 . . . . 52 Leu CD . 16345 1 604 . 1 1 52 52 LEU CG C 13 25.170 0.050 . 1 . . . . 52 Leu CG . 16345 1 605 . 1 1 52 52 LEU N N 15 127.028 0.050 . 1 . . . . 52 Leu N . 16345 1 606 . 1 1 53 53 ASN H H 1 8.240 0.005 . 1 . . . . 53 Asn HN . 16345 1 607 . 1 1 53 53 ASN HA H 1 4.377 0.005 . 1 . . . . 53 Asn HA . 16345 1 608 . 1 1 53 53 ASN HB2 H 1 2.747 0.005 . 1 . . . . 53 Asn HB . 16345 1 609 . 1 1 53 53 ASN HB3 H 1 2.747 0.005 . 1 . . . . 53 Asn HB . 16345 1 610 . 1 1 53 53 ASN HD21 H 1 7.217 0.005 . 1 . . . . 53 Asn HD21 . 16345 1 611 . 1 1 53 53 ASN HD22 H 1 7.442 0.005 . 1 . . . . 53 Asn HD22 . 16345 1 612 . 1 1 53 53 ASN CA C 13 51.214 0.050 . 1 . . . . 53 Asn CA . 16345 1 613 . 1 1 53 53 ASN CB C 13 38.347 0.050 . 1 . . . . 53 Asn CB . 16345 1 614 . 1 1 53 53 ASN N N 15 118.862 0.050 . 1 . . . . 53 Asn N . 16345 1 615 . 1 1 53 53 ASN ND2 N 15 111.601 0.050 . 1 . . . . 53 Asn ND2 . 16345 1 616 . 1 1 54 54 PRO HA H 1 4.288 0.005 . 1 . . . . 54 Pro HA . 16345 1 617 . 1 1 54 54 PRO HB2 H 1 1.817 0.005 . 2 . . . . 54 Pro HB1 . 16345 1 618 . 1 1 54 54 PRO HB3 H 1 2.181 0.005 . 2 . . . . 54 Pro HB2 . 16345 1 619 . 1 1 54 54 PRO C C 13 176.368 0.050 . 1 . . . . 54 Pro CO . 16345 1 620 . 1 1 54 54 PRO CA C 13 65.300 0.050 . 1 . . . . 54 Pro CA . 16345 1 621 . 1 1 54 54 PRO CB C 13 31.262 0.050 . 1 . . . . 54 Pro CB . 16345 1 622 . 1 1 54 54 PRO CG C 13 24.360 0.050 . 1 . . . . 54 Pro CG . 16345 1 623 . 1 1 55 55 ASN H H 1 8.250 0.005 . 1 . . . . 55 Asn HN . 16345 1 624 . 1 1 55 55 ASN HA H 1 4.725 0.005 . 1 . . . . 55 Asn HA . 16345 1 625 . 1 1 55 55 ASN HB2 H 1 2.659 0.005 . 2 . . . . 55 Asn HB1 . 16345 1 626 . 1 1 55 55 ASN HB3 H 1 2.881 0.005 . 2 . . . . 55 Asn HB2 . 16345 1 627 . 1 1 55 55 ASN HD21 H 1 6.977 0.005 . 1 . . . . 55 Asn HD21 . 16345 1 628 . 1 1 55 55 ASN HD22 H 1 7.581 0.005 . 1 . . . . 55 Asn HD22 . 16345 1 629 . 1 1 55 55 ASN C C 13 174.711 0.050 . 1 . . . . 55 Asn CO . 16345 1 630 . 1 1 55 55 ASN CA C 13 53.605 0.050 . 1 . . . . 55 Asn CA . 16345 1 631 . 1 1 55 55 ASN CB C 13 37.309 0.050 . 1 . . . . 55 Asn CB . 16345 1 632 . 1 1 55 55 ASN N N 15 118.825 0.050 . 1 . . . . 55 Asn N . 16345 1 633 . 1 1 55 55 ASN ND2 N 15 113.699 0.050 . 1 . . . . 55 Asn ND2 . 16345 1 634 . 1 1 56 56 LEU H H 1 7.106 0.005 . 1 . . . . 56 Leu HN . 16345 1 635 . 1 1 56 56 LEU HA H 1 4.291 0.005 . 1 . . . . 56 Leu HA . 16345 1 636 . 1 1 56 56 LEU HB2 H 1 1.293 0.005 . 2 . . . . 56 Leu HB1 . 16345 1 637 . 1 1 56 56 LEU HB3 H 1 1.603 0.005 . 2 . . . . 56 Leu HB2 . 16345 1 638 . 1 1 56 56 LEU HD11 H 1 0.644 0.005 . 2 . . . . 56 Leu HD1 . 16345 1 639 . 1 1 56 56 LEU HD12 H 1 0.644 0.005 . 2 . . . . 56 Leu HD1 . 16345 1 640 . 1 1 56 56 LEU HD13 H 1 0.644 0.005 . 2 . . . . 56 Leu HD1 . 16345 1 641 . 1 1 56 56 LEU HD21 H 1 0.737 0.005 . 2 . . . . 56 Leu HD2 . 16345 1 642 . 1 1 56 56 LEU HD22 H 1 0.737 0.005 . 2 . . . . 56 Leu HD2 . 16345 1 643 . 1 1 56 56 LEU HD23 H 1 0.737 0.005 . 2 . . . . 56 Leu HD2 . 16345 1 644 . 1 1 56 56 LEU HG H 1 1.727 0.005 . 1 . . . . 56 Leu HG . 16345 1 645 . 1 1 56 56 LEU C C 13 176.906 0.050 . 1 . . . . 56 Leu CO . 16345 1 646 . 1 1 56 56 LEU CA C 13 55.233 0.050 . 1 . . . . 56 Leu CA . 16345 1 647 . 1 1 56 56 LEU CB C 13 41.540 0.050 . 1 . . . . 56 Leu CB . 16345 1 648 . 1 1 56 56 LEU CD1 C 13 18.873 0.050 . 2 . . . . 56 Leu CD1 . 16345 1 649 . 1 1 56 56 LEU CD2 C 13 18.873 0.050 . 2 . . . . 56 Leu CD2 . 16345 1 650 . 1 1 56 56 LEU CG C 13 23.583 0.050 . 1 . . . . 56 Leu CG . 16345 1 651 . 1 1 56 56 LEU N N 15 118.931 0.050 . 1 . . . . 56 Leu N . 16345 1 652 . 1 1 57 57 ASP H H 1 8.621 0.005 . 1 . . . . 57 Asp HN . 16345 1 653 . 1 1 57 57 ASP HA H 1 4.612 0.005 . 1 . . . . 57 Asp HA . 16345 1 654 . 1 1 57 57 ASP HB2 H 1 2.646 0.005 . 2 . . . . 57 Asp HB1 . 16345 1 655 . 1 1 57 57 ASP HB3 H 1 3.146 0.005 . 2 . . . . 57 Asp HB2 . 16345 1 656 . 1 1 57 57 ASP C C 13 175.984 0.050 . 1 . . . . 57 Asp CO . 16345 1 657 . 1 1 57 57 ASP CA C 13 52.723 0.050 . 1 . . . . 57 Asp CA . 16345 1 658 . 1 1 57 57 ASP CB C 13 39.991 0.050 . 1 . . . . 57 Asp CB . 16345 1 659 . 1 1 57 57 ASP N N 15 122.184 0.050 . 1 . . . . 57 Asp N . 16345 1 660 . 1 1 58 58 GLN H H 1 8.491 0.005 . 1 . . . . 58 Gln HN . 16345 1 661 . 1 1 58 58 GLN HA H 1 3.852 0.005 . 1 . . . . 58 Gln HA . 16345 1 662 . 1 1 58 58 GLN HB2 H 1 2.063 0.005 . 1 . . . . 58 Gln HB . 16345 1 663 . 1 1 58 58 GLN HB3 H 1 2.063 0.005 . 1 . . . . 58 Gln HB . 16345 1 664 . 1 1 58 58 GLN HE21 H 1 6.856 0.005 . 1 . . . . 58 Gln HE21 . 16345 1 665 . 1 1 58 58 GLN HE22 H 1 7.582 0.005 . 1 . . . . 58 Gln HE22 . 16345 1 666 . 1 1 58 58 GLN HG2 H 1 2.424 0.005 . 1 . . . . 58 Gln HG . 16345 1 667 . 1 1 58 58 GLN HG3 H 1 2.424 0.005 . 1 . . . . 58 Gln HG . 16345 1 668 . 1 1 58 58 GLN C C 13 179.010 0.050 . 1 . . . . 58 Gln CO . 16345 1 669 . 1 1 58 58 GLN CA C 13 61.028 0.050 . 1 . . . . 58 Gln CA . 16345 1 670 . 1 1 58 58 GLN CB C 13 26.189 0.050 . 1 . . . . 58 Gln CB . 16345 1 671 . 1 1 58 58 GLN CG C 13 32.212 0.050 . 1 . . . . 58 Gln CG . 16345 1 672 . 1 1 58 58 GLN N N 15 116.394 0.050 . 1 . . . . 58 Gln N . 16345 1 673 . 1 1 58 58 GLN NE2 N 15 112.850 0.050 . 1 . . . . 58 Gln NE2 . 16345 1 674 . 1 1 59 59 SER H H 1 8.289 0.005 . 1 . . . . 59 Ser HN . 16345 1 675 . 1 1 59 59 SER HA H 1 4.223 0.005 . 1 . . . . 59 Ser HA . 16345 1 676 . 1 1 59 59 SER HB2 H 1 3.903 0.005 . 1 . . . . 59 Ser HB . 16345 1 677 . 1 1 59 59 SER HB3 H 1 3.903 0.005 . 1 . . . . 59 Ser HB . 16345 1 678 . 1 1 59 59 SER C C 13 177.168 0.050 . 1 . . . . 59 Ser CO . 16345 1 679 . 1 1 59 59 SER CA C 13 62.790 0.050 . 1 . . . . 59 Ser CA . 16345 1 680 . 1 1 59 59 SER CB C 13 63.919 0.050 . 1 . . . . 59 Ser CB . 16345 1 681 . 1 1 59 59 SER N N 15 117.146 0.050 . 1 . . . . 59 Ser N . 16345 1 682 . 1 1 60 60 GLN H H 1 8.641 0.005 . 1 . . . . 60 Gln HN . 16345 1 683 . 1 1 60 60 GLN HA H 1 3.971 0.005 . 1 . . . . 60 Gln HA . 16345 1 684 . 1 1 60 60 GLN HB2 H 1 1.953 0.005 . 2 . . . . 60 Gln HB1 . 16345 1 685 . 1 1 60 60 GLN HB3 H 1 2.236 0.005 . 2 . . . . 60 Gln HB2 . 16345 1 686 . 1 1 60 60 GLN HE21 H 1 6.692 0.005 . 1 . . . . 60 Gln HE21 . 16345 1 687 . 1 1 60 60 GLN HE22 H 1 7.554 0.005 . 1 . . . . 60 Gln HE22 . 16345 1 688 . 1 1 60 60 GLN HG2 H 1 2.354 0.005 . 2 . . . . 60 Gln HG1 . 16345 1 689 . 1 1 60 60 GLN HG3 H 1 2.605 0.005 . 2 . . . . 60 Gln HG2 . 16345 1 690 . 1 1 60 60 GLN C C 13 179.369 0.050 . 1 . . . . 60 Gln CO . 16345 1 691 . 1 1 60 60 GLN CA C 13 59.589 0.050 . 1 . . . . 60 Gln CA . 16345 1 692 . 1 1 60 60 GLN CB C 13 27.802 0.050 . 1 . . . . 60 Gln CB . 16345 1 693 . 1 1 60 60 GLN CG C 13 32.699 0.050 . 1 . . . . 60 Gln CG . 16345 1 694 . 1 1 60 60 GLN N N 15 124.616 0.050 . 1 . . . . 60 Gln N . 16345 1 695 . 1 1 60 60 GLN NE2 N 15 112.038 0.050 . 1 . . . . 60 Gln NE2 . 16345 1 696 . 1 1 61 61 LEU H H 1 8.734 0.005 . 1 . . . . 61 Leu HN . 16345 1 697 . 1 1 61 61 LEU HA H 1 3.699 0.005 . 1 . . . . 61 Leu HA . 16345 1 698 . 1 1 61 61 LEU HB2 H 1 1.366 0.005 . 1 . . . . 61 Leu HB . 16345 1 699 . 1 1 61 61 LEU HB3 H 1 1.366 0.005 . 1 . . . . 61 Leu HB . 16345 1 700 . 1 1 61 61 LEU HD11 H 1 0.263 0.005 . 2 . . . . 61 Leu HD1 . 16345 1 701 . 1 1 61 61 LEU HD12 H 1 0.263 0.005 . 2 . . . . 61 Leu HD1 . 16345 1 702 . 1 1 61 61 LEU HD13 H 1 0.263 0.005 . 2 . . . . 61 Leu HD1 . 16345 1 703 . 1 1 61 61 LEU HD21 H 1 0.309 0.005 . 2 . . . . 61 Leu HD2 . 16345 1 704 . 1 1 61 61 LEU HD22 H 1 0.309 0.005 . 2 . . . . 61 Leu HD2 . 16345 1 705 . 1 1 61 61 LEU HD23 H 1 0.309 0.005 . 2 . . . . 61 Leu HD2 . 16345 1 706 . 1 1 61 61 LEU HG H 1 1.232 0.005 . 1 . . . . 61 Leu HG . 16345 1 707 . 1 1 61 61 LEU C C 13 178.069 0.050 . 1 . . . . 61 Leu CO . 16345 1 708 . 1 1 61 61 LEU CA C 13 59.281 0.050 . 1 . . . . 61 Leu CA . 16345 1 709 . 1 1 61 61 LEU CB C 13 41.129 0.050 . 1 . . . . 61 Leu CB . 16345 1 710 . 1 1 61 61 LEU CD1 C 13 21.105 0.050 . 2 . . . . 61 Leu CD1 . 16345 1 711 . 1 1 61 61 LEU CD2 C 13 21.618 0.050 . 2 . . . . 61 Leu CD2 . 16345 1 712 . 1 1 61 61 LEU CG C 13 24.134 0.050 . 1 . . . . 61 Leu CG . 16345 1 713 . 1 1 61 61 LEU N N 15 121.819 0.050 . 1 . . . . 61 Leu N . 16345 1 714 . 1 1 62 62 ALA H H 1 7.758 0.005 . 1 . . . . 62 Ala HN . 16345 1 715 . 1 1 62 62 ALA HA H 1 3.935 0.005 . 1 . . . . 62 Ala HA . 16345 1 716 . 1 1 62 62 ALA HB1 H 1 1.478 0.005 . 1 . . . . 62 Ala HB . 16345 1 717 . 1 1 62 62 ALA HB2 H 1 1.478 0.005 . 1 . . . . 62 Ala HB . 16345 1 718 . 1 1 62 62 ALA HB3 H 1 1.478 0.005 . 1 . . . . 62 Ala HB . 16345 1 719 . 1 1 62 62 ALA C C 13 180.635 0.050 . 1 . . . . 62 Ala CO . 16345 1 720 . 1 1 62 62 ALA CA C 13 56.205 0.050 . 1 . . . . 62 Ala CA . 16345 1 721 . 1 1 62 62 ALA CB C 13 14.658 0.050 . 1 . . . . 62 Ala CB . 16345 1 722 . 1 1 62 62 ALA N N 15 120.255 0.050 . 1 . . . . 62 Ala N . 16345 1 723 . 1 1 63 63 LEU H H 1 7.511 0.005 . 1 . . . . 63 Leu HN . 16345 1 724 . 1 1 63 63 LEU HA H 1 4.158 0.005 . 1 . . . . 63 Leu HA . 16345 1 725 . 1 1 63 63 LEU HB2 H 1 1.685 0.005 . 2 . . . . 63 Leu HB1 . 16345 1 726 . 1 1 63 63 LEU HB3 H 1 1.782 0.005 . 2 . . . . 63 Leu HB2 . 16345 1 727 . 1 1 63 63 LEU HD11 H 1 0.873 0.005 . 1 . . . . 63 Leu HD . 16345 1 728 . 1 1 63 63 LEU HD12 H 1 0.873 0.005 . 1 . . . . 63 Leu HD . 16345 1 729 . 1 1 63 63 LEU HD13 H 1 0.873 0.005 . 1 . . . . 63 Leu HD . 16345 1 730 . 1 1 63 63 LEU HD21 H 1 0.873 0.005 . 1 . . . . 63 Leu HD . 16345 1 731 . 1 1 63 63 LEU HD22 H 1 0.873 0.005 . 1 . . . . 63 Leu HD . 16345 1 732 . 1 1 63 63 LEU HD23 H 1 0.873 0.005 . 1 . . . . 63 Leu HD . 16345 1 733 . 1 1 63 63 LEU HG H 1 1.592 0.005 . 1 . . . . 63 Leu HG . 16345 1 734 . 1 1 63 63 LEU C C 13 179.088 0.050 . 1 . . . . 63 Leu CO . 16345 1 735 . 1 1 63 63 LEU CA C 13 59.129 0.050 . 1 . . . . 63 Leu CA . 16345 1 736 . 1 1 63 63 LEU CB C 13 40.730 0.050 . 1 . . . . 63 Leu CB . 16345 1 737 . 1 1 63 63 LEU CD1 C 13 21.876 0.050 . 1 . . . . 63 Leu CD . 16345 1 738 . 1 1 63 63 LEU CD2 C 13 21.876 0.050 . 1 . . . . 63 Leu CD . 16345 1 739 . 1 1 63 63 LEU CG C 13 24.547 0.050 . 1 . . . . 63 Leu CG . 16345 1 740 . 1 1 63 63 LEU N N 15 119.752 0.050 . 1 . . . . 63 Leu N . 16345 1 741 . 1 1 64 64 GLU H H 1 8.003 0.005 . 1 . . . . 64 Glu HN . 16345 1 742 . 1 1 64 64 GLU HA H 1 4.058 0.005 . 1 . . . . 64 Glu HA . 16345 1 743 . 1 1 64 64 GLU HB2 H 1 2.005 0.005 . 1 . . . . 64 Glu HB . 16345 1 744 . 1 1 64 64 GLU HB3 H 1 2.005 0.005 . 1 . . . . 64 Glu HB . 16345 1 745 . 1 1 64 64 GLU HG2 H 1 2.580 0.005 . 2 . . . . 64 Glu HG2 . 16345 1 746 . 1 1 64 64 GLU C C 13 180.255 0.050 . 1 . . . . 64 Glu CO . 16345 1 747 . 1 1 64 64 GLU CA C 13 59.526 0.050 . 1 . . . . 64 Glu CA . 16345 1 748 . 1 1 64 64 GLU CB C 13 26.189 0.050 . 1 . . . . 64 Glu CB . 16345 1 749 . 1 1 64 64 GLU CG C 13 33.497 0.050 . 1 . . . . 64 Glu CG . 16345 1 750 . 1 1 64 64 GLU N N 15 117.066 0.050 . 1 . . . . 64 Glu N . 16345 1 751 . 1 1 65 65 LYS H H 1 8.344 0.005 . 1 . . . . 65 Lys HN . 16345 1 752 . 1 1 65 65 LYS HA H 1 3.847 0.005 . 1 . . . . 65 Lys HA . 16345 1 753 . 1 1 65 65 LYS HB2 H 1 1.870 0.005 . 2 . . . . 65 Lys HB1 . 16345 1 754 . 1 1 65 65 LYS HB3 H 1 1.901 0.005 . 2 . . . . 65 Lys HB2 . 16345 1 755 . 1 1 65 65 LYS HD2 H 1 1.583 0.005 . 1 . . . . 65 Lys HD . 16345 1 756 . 1 1 65 65 LYS HD3 H 1 1.583 0.005 . 1 . . . . 65 Lys HD . 16345 1 757 . 1 1 65 65 LYS HE2 H 1 2.735 0.005 . 1 . . . . 65 Lys HE1 . 16345 1 758 . 1 1 65 65 LYS HE3 H 1 2.777 0.005 . 1 . . . . 65 Lys HE2 . 16345 1 759 . 1 1 65 65 LYS HG2 H 1 1.347 0.005 . 1 . . . . 65 Lys HG . 16345 1 760 . 1 1 65 65 LYS HG3 H 1 1.347 0.005 . 1 . . . . 65 Lys HG . 16345 1 761 . 1 1 65 65 LYS HZ1 H 1 9.049 0.005 . 1 . . . . 65 Lys HZ . 16345 1 762 . 1 1 65 65 LYS HZ2 H 1 9.049 0.005 . 1 . . . . 65 Lys HZ . 16345 1 763 . 1 1 65 65 LYS HZ3 H 1 9.049 0.005 . 1 . . . . 65 Lys HZ . 16345 1 764 . 1 1 65 65 LYS C C 13 178.837 0.050 . 1 . . . . 65 Lys CO . 16345 1 765 . 1 1 65 65 LYS CA C 13 61.999 0.050 . 1 . . . . 65 Lys CA . 16345 1 766 . 1 1 65 65 LYS CB C 13 30.478 0.050 . 1 . . . . 65 Lys CB . 16345 1 767 . 1 1 65 65 LYS CD C 13 27.455 0.050 . 1 . . . . 65 Lys CD . 16345 1 768 . 1 1 65 65 LYS CE C 13 40.536 0.050 . 1 . . . . 65 Lys CE . 16345 1 769 . 1 1 65 65 LYS CG C 13 23.866 0.050 . 1 . . . . 65 Lys CG . 16345 1 770 . 1 1 65 65 LYS N N 15 117.541 0.050 . 1 . . . . 65 Lys N . 16345 1 771 . 1 1 66 66 GLU H H 1 7.969 0.005 . 1 . . . . 66 Glu HN . 16345 1 772 . 1 1 66 66 GLU HA H 1 4.037 0.005 . 1 . . . . 66 Glu HA . 16345 1 773 . 1 1 66 66 GLU HB2 H 1 2.187 0.005 . 1 . . . . 66 Glu HB . 16345 1 774 . 1 1 66 66 GLU HB3 H 1 2.187 0.005 . 1 . . . . 66 Glu HB . 16345 1 775 . 1 1 66 66 GLU HG2 H 1 2.342 0.005 . 2 . . . . 66 Glu HG2 . 16345 1 776 . 1 1 66 66 GLU C C 13 178.910 0.050 . 1 . . . . 66 Glu CO . 16345 1 777 . 1 1 66 66 GLU CA C 13 60.738 0.050 . 1 . . . . 66 Glu CA . 16345 1 778 . 1 1 66 66 GLU CB C 13 27.228 0.050 . 1 . . . . 66 Glu CB . 16345 1 779 . 1 1 66 66 GLU CG C 13 34.678 0.050 . 1 . . . . 66 Glu CG . 16345 1 780 . 1 1 66 66 GLU N N 15 122.062 0.050 . 1 . . . . 66 Glu N . 16345 1 781 . 1 1 67 67 ILE H H 1 8.038 0.005 . 1 . . . . 67 Ile HN . 16345 1 782 . 1 1 67 67 ILE HA H 1 3.542 0.005 . 1 . . . . 67 Ile HA . 16345 1 783 . 1 1 67 67 ILE HB H 1 1.959 0.005 . 1 . . . . 67 Ile HB . 16345 1 784 . 1 1 67 67 ILE HD11 H 1 0.707 0.005 . 1 . . . . 67 Ile HD1 . 16345 1 785 . 1 1 67 67 ILE HD12 H 1 0.707 0.005 . 1 . . . . 67 Ile HD1 . 16345 1 786 . 1 1 67 67 ILE HD13 H 1 0.707 0.005 . 1 . . . . 67 Ile HD1 . 16345 1 787 . 1 1 67 67 ILE HG12 H 1 1.087 0.005 . 2 . . . . 67 Ile HG11 . 16345 1 788 . 1 1 67 67 ILE HG13 H 1 1.690 0.005 . 2 . . . . 67 Ile HG12 . 16345 1 789 . 1 1 67 67 ILE HG21 H 1 0.807 0.005 . 1 . . . . 67 Ile HG2 . 16345 1 790 . 1 1 67 67 ILE HG22 H 1 0.807 0.005 . 1 . . . . 67 Ile HG2 . 16345 1 791 . 1 1 67 67 ILE HG23 H 1 0.807 0.005 . 1 . . . . 67 Ile HG2 . 16345 1 792 . 1 1 67 67 ILE C C 13 179.344 0.050 . 1 . . . . 67 Ile CO . 16345 1 793 . 1 1 67 67 ILE CA C 13 66.974 0.050 . 1 . . . . 67 Ile CA . 16345 1 794 . 1 1 67 67 ILE CB C 13 36.600 0.050 . 1 . . . . 67 Ile CB . 16345 1 795 . 1 1 67 67 ILE CD1 C 13 9.256 0.050 . 1 . . . . 67 Ile CD1 . 16345 1 796 . 1 1 67 67 ILE CG1 C 13 27.180 0.050 . 1 . . . . 67 Ile CG1 . 16345 1 797 . 1 1 67 67 ILE CG2 C 13 13.334 0.050 . 1 . . . . 67 Ile CG2 . 16345 1 798 . 1 1 67 67 ILE N N 15 121.853 0.050 . 1 . . . . 67 Ile N . 16345 1 799 . 1 1 68 68 ILE H H 1 8.192 0.005 . 1 . . . . 68 Ile HN . 16345 1 800 . 1 1 68 68 ILE HA H 1 3.336 0.005 . 1 . . . . 68 Ile HA . 16345 1 801 . 1 1 68 68 ILE HB H 1 1.797 0.005 . 1 . . . . 68 Ile HB . 16345 1 802 . 1 1 68 68 ILE HG12 H 1 0.820 0.005 . 2 . . . . 68 Ile HG11 . 16345 1 803 . 1 1 68 68 ILE HG13 H 1 1.757 0.005 . 2 . . . . 68 Ile HG12 . 16345 1 804 . 1 1 68 68 ILE HG21 H 1 0.473 0.005 . 1 . . . . 68 Ile HG2 . 16345 1 805 . 1 1 68 68 ILE HG22 H 1 0.473 0.005 . 1 . . . . 68 Ile HG2 . 16345 1 806 . 1 1 68 68 ILE HG23 H 1 0.473 0.005 . 1 . . . . 68 Ile HG2 . 16345 1 807 . 1 1 68 68 ILE C C 13 177.000 0.050 . 1 . . . . 68 Ile CO . 16345 1 808 . 1 1 68 68 ILE CA C 13 67.531 0.050 . 1 . . . . 68 Ile CA . 16345 1 809 . 1 1 68 68 ILE CB C 13 37.369 0.050 . 1 . . . . 68 Ile CB . 16345 1 810 . 1 1 68 68 ILE CG1 C 13 27.777 0.050 . 1 . . . . 68 Ile CG1 . 16345 1 811 . 1 1 68 68 ILE CG2 C 13 13.872 0.050 . 1 . . . . 68 Ile CG2 . 16345 1 812 . 1 1 68 68 ILE N N 15 122.267 0.050 . 1 . . . . 68 Ile N . 16345 1 813 . 1 1 69 69 GLN H H 1 8.142 0.005 . 1 . . . . 69 Gln HN . 16345 1 814 . 1 1 69 69 GLN HA H 1 3.686 0.005 . 1 . . . . 69 Gln HA . 16345 1 815 . 1 1 69 69 GLN HB2 H 1 2.136 0.005 . 2 . . . . 69 Gln HB1 . 16345 1 816 . 1 1 69 69 GLN HB3 H 1 2.246 0.005 . 2 . . . . 69 Gln HB2 . 16345 1 817 . 1 1 69 69 GLN HE21 H 1 6.623 0.005 . 1 . . . . 69 Gln HE21 . 16345 1 818 . 1 1 69 69 GLN HE22 H 1 7.660 0.005 . 1 . . . . 69 Gln HE22 . 16345 1 819 . 1 1 69 69 GLN HG2 H 1 2.385 0.005 . 1 . . . . 69 Gln HG . 16345 1 820 . 1 1 69 69 GLN HG3 H 1 2.385 0.005 . 1 . . . . 69 Gln HG . 16345 1 821 . 1 1 69 69 GLN C C 13 178.477 0.050 . 1 . . . . 69 Gln CO . 16345 1 822 . 1 1 69 69 GLN CA C 13 60.735 0.050 . 1 . . . . 69 Gln CA . 16345 1 823 . 1 1 69 69 GLN CB C 13 25.468 0.050 . 1 . . . . 69 Gln CB . 16345 1 824 . 1 1 69 69 GLN CG C 13 32.213 0.050 . 1 . . . . 69 Gln CG . 16345 1 825 . 1 1 69 69 GLN N N 15 118.592 0.050 . 1 . . . . 69 Gln N . 16345 1 826 . 1 1 69 69 GLN NE2 N 15 111.132 0.050 . 1 . . . . 69 Gln NE2 . 16345 1 827 . 1 1 70 70 ARG H H 1 8.102 0.005 . 1 . . . . 70 Arg HN . 16345 1 828 . 1 1 70 70 ARG HA H 1 4.038 0.005 . 1 . . . . 70 Arg HA . 16345 1 829 . 1 1 70 70 ARG HB2 H 1 1.855 0.005 . 1 . . . . 70 Arg HB . 16345 1 830 . 1 1 70 70 ARG HB3 H 1 1.855 0.005 . 1 . . . . 70 Arg HB . 16345 1 831 . 1 1 70 70 ARG HD2 H 1 3.164 0.005 . 1 . . . . 70 Arg HD . 16345 1 832 . 1 1 70 70 ARG HD3 H 1 3.164 0.005 . 1 . . . . 70 Arg HD . 16345 1 833 . 1 1 70 70 ARG HG2 H 1 1.700 0.005 . 1 . . . . 70 Arg HG . 16345 1 834 . 1 1 70 70 ARG HG3 H 1 1.700 0.005 . 1 . . . . 70 Arg HG . 16345 1 835 . 1 1 70 70 ARG C C 13 178.264 0.050 . 1 . . . . 70 Arg CO . 16345 1 836 . 1 1 70 70 ARG CA C 13 60.005 0.050 . 1 . . . . 70 Arg CA . 16345 1 837 . 1 1 70 70 ARG CB C 13 28.147 0.050 . 1 . . . . 70 Arg CB . 16345 1 838 . 1 1 70 70 ARG CD C 13 43.052 0.050 . 1 . . . . 70 Arg CD . 16345 1 839 . 1 1 70 70 ARG CG C 13 24.895 0.050 . 1 . . . . 70 Arg CG . 16345 1 840 . 1 1 70 70 ARG N N 15 118.848 0.050 . 1 . . . . 70 Arg N . 16345 1 841 . 1 1 71 71 ALA H H 1 8.090 0.005 . 1 . . . . 71 Ala HN . 16345 1 842 . 1 1 71 71 ALA HA H 1 4.234 0.005 . 1 . . . . 71 Ala HA . 16345 1 843 . 1 1 71 71 ALA HB1 H 1 1.374 0.005 . 1 . . . . 71 Ala HB . 16345 1 844 . 1 1 71 71 ALA HB2 H 1 1.374 0.005 . 1 . . . . 71 Ala HB . 16345 1 845 . 1 1 71 71 ALA HB3 H 1 1.374 0.005 . 1 . . . . 71 Ala HB . 16345 1 846 . 1 1 71 71 ALA C C 13 179.607 0.050 . 1 . . . . 71 Ala CO . 16345 1 847 . 1 1 71 71 ALA CA C 13 56.143 0.050 . 1 . . . . 71 Ala CA . 16345 1 848 . 1 1 71 71 ALA CB C 13 14.383 0.050 . 1 . . . . 71 Ala CB . 16345 1 849 . 1 1 71 71 ALA N N 15 123.701 0.050 . 1 . . . . 71 Ala N . 16345 1 850 . 1 1 72 72 LEU H H 1 8.356 0.005 . 1 . . . . 72 Leu HN . 16345 1 851 . 1 1 72 72 LEU HA H 1 3.684 0.005 . 1 . . . . 72 Leu HA . 16345 1 852 . 1 1 72 72 LEU HB2 H 1 1.034 0.005 . 2 . . . . 72 Leu HB1 . 16345 1 853 . 1 1 72 72 LEU HB3 H 1 1.923 0.005 . 2 . . . . 72 Leu HB2 . 16345 1 854 . 1 1 72 72 LEU HD11 H 1 0.327 0.005 . 2 . . . . 72 Leu HD1 . 16345 1 855 . 1 1 72 72 LEU HD12 H 1 0.327 0.005 . 2 . . . . 72 Leu HD1 . 16345 1 856 . 1 1 72 72 LEU HD13 H 1 0.327 0.005 . 2 . . . . 72 Leu HD1 . 16345 1 857 . 1 1 72 72 LEU HD21 H 1 0.110 0.005 . 2 . . . . 72 Leu HD2 . 16345 1 858 . 1 1 72 72 LEU HD22 H 1 0.110 0.005 . 2 . . . . 72 Leu HD2 . 16345 1 859 . 1 1 72 72 LEU HD23 H 1 0.110 0.005 . 2 . . . . 72 Leu HD2 . 16345 1 860 . 1 1 72 72 LEU HG H 1 1.559 0.005 . 1 . . . . 72 Leu HG . 16345 1 861 . 1 1 72 72 LEU C C 13 178.858 0.050 . 1 . . . . 72 Leu CO . 16345 1 862 . 1 1 72 72 LEU CA C 13 60.144 0.050 . 1 . . . . 72 Leu CA . 16345 1 863 . 1 1 72 72 LEU CB C 13 39.991 0.050 . 1 . . . . 72 Leu CB . 16345 1 864 . 1 1 72 72 LEU CD1 C 13 21.397 0.050 . 2 . . . . 72 Leu CD1 . 16345 1 865 . 1 1 72 72 LEU CD2 C 13 23.339 0.050 . 2 . . . . 72 Leu CD2 . 16345 1 866 . 1 1 72 72 LEU CG C 13 23.867 0.050 . 1 . . . . 72 Leu CG . 16345 1 867 . 1 1 72 72 LEU N N 15 116.980 0.050 . 1 . . . . 72 Leu N . 16345 1 868 . 1 1 73 73 GLU H H 1 7.747 0.005 . 1 . . . . 73 Glu HN . 16345 1 869 . 1 1 73 73 GLU HA H 1 4.063 0.005 . 1 . . . . 73 Glu HA . 16345 1 870 . 1 1 73 73 GLU HB2 H 1 2.028 0.005 . 2 . . . . 73 Glu HB1 . 16345 1 871 . 1 1 73 73 GLU HB3 H 1 2.133 0.005 . 2 . . . . 73 Glu HB2 . 16345 1 872 . 1 1 73 73 GLU HG2 H 1 2.251 0.005 . 2 . . . . 73 Glu HG1 . 16345 1 873 . 1 1 73 73 GLU HG3 H 1 2.436 0.005 . 2 . . . . 73 Glu HG2 . 16345 1 874 . 1 1 73 73 GLU C C 13 181.065 0.050 . 1 . . . . 73 Glu CO . 16345 1 875 . 1 1 73 73 GLU CA C 13 60.399 0.050 . 1 . . . . 73 Glu CA . 16345 1 876 . 1 1 73 73 GLU CB C 13 27.314 0.050 . 1 . . . . 73 Glu CB . 16345 1 877 . 1 1 73 73 GLU CG C 13 34.796 0.050 . 1 . . . . 73 Glu CG . 16345 1 878 . 1 1 73 73 GLU N N 15 117.521 0.050 . 1 . . . . 73 Glu N . 16345 1 879 . 1 1 74 74 ASN H H 1 8.657 0.005 . 1 . . . . 74 Asn HN . 16345 1 880 . 1 1 74 74 ASN HA H 1 4.342 0.005 . 1 . . . . 74 Asn HA . 16345 1 881 . 1 1 74 74 ASN HB2 H 1 2.571 0.005 . 2 . . . . 74 Asn HB1 . 16345 1 882 . 1 1 74 74 ASN HB3 H 1 2.886 0.005 . 2 . . . . 74 Asn HB2 . 16345 1 883 . 1 1 74 74 ASN HD21 H 1 6.655 0.005 . 1 . . . . 74 Asn HD21 . 16345 1 884 . 1 1 74 74 ASN HD22 H 1 7.202 0.005 . 1 . . . . 74 Asn HD22 . 16345 1 885 . 1 1 74 74 ASN C C 13 176.974 0.050 . 1 . . . . 74 Asn CO . 16345 1 886 . 1 1 74 74 ASN CA C 13 56.430 0.050 . 1 . . . . 74 Asn CA . 16345 1 887 . 1 1 74 74 ASN CB C 13 37.157 0.050 . 1 . . . . 74 Asn CB . 16345 1 888 . 1 1 74 74 ASN N N 15 120.811 0.050 . 1 . . . . 74 Asn N . 16345 1 889 . 1 1 74 74 ASN ND2 N 15 111.881 0.050 . 1 . . . . 74 Asn ND2 . 16345 1 890 . 1 1 75 75 TYR H H 1 7.857 0.005 . 1 . . . . 75 Tyr HN . 16345 1 891 . 1 1 75 75 TYR HA H 1 4.240 0.005 . 1 . . . . 75 Tyr HA . 16345 1 892 . 1 1 75 75 TYR HB2 H 1 2.585 0.005 . 2 . . . . 75 Tyr HB1 . 16345 1 893 . 1 1 75 75 TYR HB3 H 1 3.195 0.005 . 2 . . . . 75 Tyr HB2 . 16345 1 894 . 1 1 75 75 TYR HD1 H 1 7.318 0.005 . 1 . . . . 75 Tyr HD . 16345 1 895 . 1 1 75 75 TYR HD2 H 1 7.318 0.005 . 1 . . . . 75 Tyr HD . 16345 1 896 . 1 1 75 75 TYR HE1 H 1 6.660 0.005 . 1 . . . . 75 Tyr HE . 16345 1 897 . 1 1 75 75 TYR HE2 H 1 6.660 0.005 . 1 . . . . 75 Tyr HE . 16345 1 898 . 1 1 75 75 TYR C C 13 174.108 0.050 . 1 . . . . 75 Tyr CO . 16345 1 899 . 1 1 75 75 TYR CA C 13 60.697 0.050 . 1 . . . . 75 Tyr CA . 16345 1 900 . 1 1 75 75 TYR CB C 13 36.685 0.050 . 1 . . . . 75 Tyr CB . 16345 1 901 . 1 1 75 75 TYR N N 15 116.958 0.050 . 1 . . . . 75 Tyr N . 16345 1 902 . 1 1 76 76 GLY H H 1 7.647 0.005 . 1 . . . . 76 Gly HN . 16345 1 903 . 1 1 76 76 GLY HA2 H 1 3.727 0.005 . 1 . . . . 76 Gly HA1 . 16345 1 904 . 1 1 76 76 GLY HA3 H 1 3.931 0.005 . 1 . . . . 76 Gly HA2 . 16345 1 905 . 1 1 76 76 GLY C C 13 174.472 0.050 . 1 . . . . 76 Gly CO . 16345 1 906 . 1 1 76 76 GLY CA C 13 45.882 0.050 . 1 . . . . 76 Gly CA . 16345 1 907 . 1 1 76 76 GLY N N 15 105.335 0.050 . 1 . . . . 76 Gly N . 16345 1 908 . 1 1 77 77 ALA H H 1 8.303 0.005 . 1 . . . . 77 Ala HN . 16345 1 909 . 1 1 77 77 ALA HA H 1 4.758 0.005 . 1 . . . . 77 Ala HA . 16345 1 910 . 1 1 77 77 ALA HB1 H 1 1.110 0.005 . 1 . . . . 77 Ala HB . 16345 1 911 . 1 1 77 77 ALA HB2 H 1 1.110 0.005 . 1 . . . . 77 Ala HB . 16345 1 912 . 1 1 77 77 ALA HB3 H 1 1.110 0.005 . 1 . . . . 77 Ala HB . 16345 1 913 . 1 1 77 77 ALA C C 13 176.829 0.050 . 1 . . . . 77 Ala CO . 16345 1 914 . 1 1 77 77 ALA CA C 13 51.382 0.050 . 1 . . . . 77 Ala CA . 16345 1 915 . 1 1 77 77 ALA CB C 13 17.485 0.050 . 1 . . . . 77 Ala CB . 16345 1 916 . 1 1 77 77 ALA N N 15 120.996 0.050 . 1 . . . . 77 Ala N . 16345 1 917 . 1 1 78 78 ARG H H 1 8.606 0.005 . 1 . . . . 78 Arg HN . 16345 1 918 . 1 1 78 78 ARG HA H 1 4.507 0.005 . 1 . . . . 78 Arg HA . 16345 1 919 . 1 1 78 78 ARG HB2 H 1 1.844 0.005 . 2 . . . . 78 Arg HB1 . 16345 1 920 . 1 1 78 78 ARG HB3 H 1 1.894 0.005 . 2 . . . . 78 Arg HB2 . 16345 1 921 . 1 1 78 78 ARG C C 13 176.029 0.050 . 1 . . . . 78 Arg CO . 16345 1 922 . 1 1 78 78 ARG CA C 13 55.819 0.050 . 1 . . . . 78 Arg CA . 16345 1 923 . 1 1 78 78 ARG CB C 13 29.685 0.050 . 1 . . . . 78 Arg CB . 16345 1 924 . 1 1 78 78 ARG CD C 13 42.724 0.050 . 1 . . . . 78 Arg CD . 16345 1 925 . 1 1 78 78 ARG CG C 13 25.236 0.050 . 1 . . . . 78 Arg CG . 16345 1 926 . 1 1 78 78 ARG N N 15 123.326 0.050 . 1 . . . . 78 Arg N . 16345 1 927 . 1 1 79 79 VAL H H 1 9.065 0.005 . 1 . . . . 79 Val HN . 16345 1 928 . 1 1 79 79 VAL HA H 1 3.895 0.005 . 1 . . . . 79 Val HA . 16345 1 929 . 1 1 79 79 VAL HB H 1 2.090 0.005 . 1 . . . . 79 Val HB . 16345 1 930 . 1 1 79 79 VAL HG11 H 1 0.921 0.005 . 1 . . . . 79 Val HG . 16345 1 931 . 1 1 79 79 VAL HG12 H 1 0.921 0.005 . 1 . . . . 79 Val HG . 16345 1 932 . 1 1 79 79 VAL HG13 H 1 0.921 0.005 . 1 . . . . 79 Val HG . 16345 1 933 . 1 1 79 79 VAL HG21 H 1 0.921 0.005 . 1 . . . . 79 Val HG . 16345 1 934 . 1 1 79 79 VAL HG22 H 1 0.921 0.005 . 1 . . . . 79 Val HG . 16345 1 935 . 1 1 79 79 VAL HG23 H 1 0.921 0.005 . 1 . . . . 79 Val HG . 16345 1 936 . 1 1 79 79 VAL C C 13 175.904 0.050 . 1 . . . . 79 Val CO . 16345 1 937 . 1 1 79 79 VAL CA C 13 65.543 0.050 . 1 . . . . 79 Val CA . 16345 1 938 . 1 1 79 79 VAL CB C 13 29.869 0.050 . 1 . . . . 79 Val CB . 16345 1 939 . 1 1 79 79 VAL CG1 C 13 19.499 0.050 . 1 . . . . 79 Val CG1 . 16345 1 940 . 1 1 79 79 VAL CG2 C 13 19.499 0.050 . 1 . . . . 79 Val CG2 . 16345 1 941 . 1 1 79 79 VAL N N 15 127.286 0.050 . 1 . . . . 79 Val N . 16345 1 942 . 1 1 80 80 GLU H H 1 9.124 0.005 . 1 . . . . 80 Glu HN . 16345 1 943 . 1 1 80 80 GLU HA H 1 4.352 0.005 . 1 . . . . 80 Glu HA . 16345 1 944 . 1 1 80 80 GLU HB2 H 1 1.763 0.005 . 2 . . . . 80 Glu HB1 . 16345 1 945 . 1 1 80 80 GLU HB3 H 1 1.967 0.005 . 2 . . . . 80 Glu HB2 . 16345 1 946 . 1 1 80 80 GLU HG2 H 1 2.087 0.005 . 2 . . . . 80 Glu HG1 . 16345 1 947 . 1 1 80 80 GLU HG3 H 1 2.261 0.005 . 2 . . . . 80 Glu HG2 . 16345 1 948 . 1 1 80 80 GLU C C 13 176.744 0.050 . 1 . . . . 80 Glu CO . 16345 1 949 . 1 1 80 80 GLU CA C 13 58.395 0.050 . 1 . . . . 80 Glu CA . 16345 1 950 . 1 1 80 80 GLU CB C 13 29.906 0.050 . 1 . . . . 80 Glu CB . 16345 1 951 . 1 1 80 80 GLU CG C 13 35.262 0.050 . 1 . . . . 80 Glu CG . 16345 1 952 . 1 1 80 80 GLU N N 15 128.797 0.050 . 1 . . . . 80 Glu N . 16345 1 953 . 1 1 81 81 LYS H H 1 7.726 0.005 . 1 . . . . 81 Lys HN . 16345 1 954 . 1 1 81 81 LYS HA H 1 4.602 0.005 . 1 . . . . 81 Lys HA . 16345 1 955 . 1 1 81 81 LYS HB2 H 1 1.758 0.005 . 2 . . . . 81 Lys HB1 . 16345 1 956 . 1 1 81 81 LYS HB3 H 1 1.950 0.005 . 2 . . . . 81 Lys HB2 . 16345 1 957 . 1 1 81 81 LYS HD2 H 1 1.747 0.005 . 2 . . . . 81 Lys HD1 . 16345 1 958 . 1 1 81 81 LYS HD3 H 1 1.789 0.005 . 2 . . . . 81 Lys HD2 . 16345 1 959 . 1 1 81 81 LYS HE2 H 1 2.968 0.005 . 1 . . . . 81 Lys HE . 16345 1 960 . 1 1 81 81 LYS HE3 H 1 2.968 0.005 . 1 . . . . 81 Lys HE . 16345 1 961 . 1 1 81 81 LYS HG2 H 1 1.435 0.005 . 1 . . . . 81 Lys HG . 16345 1 962 . 1 1 81 81 LYS HG3 H 1 1.435 0.005 . 1 . . . . 81 Lys HG . 16345 1 963 . 1 1 81 81 LYS C C 13 173.358 0.050 . 1 . . . . 81 Lys CO . 16345 1 964 . 1 1 81 81 LYS CA C 13 56.678 0.050 . 1 . . . . 81 Lys CA . 16345 1 965 . 1 1 81 81 LYS CB C 13 36.347 0.050 . 1 . . . . 81 Lys CB . 16345 1 966 . 1 1 81 81 LYS CD C 13 27.615 0.050 . 1 . . . . 81 Lys CD . 16345 1 967 . 1 1 81 81 LYS CE C 13 41.337 0.050 . 1 . . . . 81 Lys CE . 16345 1 968 . 1 1 81 81 LYS CG C 13 23.148 0.050 . 1 . . . . 81 Lys CG . 16345 1 969 . 1 1 81 81 LYS N N 15 117.077 0.050 . 1 . . . . 81 Lys N . 16345 1 970 . 1 1 82 82 VAL H H 1 8.398 0.005 . 1 . . . . 82 Val HN . 16345 1 971 . 1 1 82 82 VAL HA H 1 4.849 0.005 . 1 . . . . 82 Val HA . 16345 1 972 . 1 1 82 82 VAL HB H 1 1.812 0.005 . 1 . . . . 82 Val HB . 16345 1 973 . 1 1 82 82 VAL HG11 H 1 0.648 0.005 . 1 . . . . 82 Val HG . 16345 1 974 . 1 1 82 82 VAL HG12 H 1 0.648 0.005 . 1 . . . . 82 Val HG . 16345 1 975 . 1 1 82 82 VAL HG13 H 1 0.648 0.005 . 1 . . . . 82 Val HG . 16345 1 976 . 1 1 82 82 VAL HG21 H 1 0.648 0.005 . 1 . . . . 82 Val HG . 16345 1 977 . 1 1 82 82 VAL HG22 H 1 0.648 0.005 . 1 . . . . 82 Val HG . 16345 1 978 . 1 1 82 82 VAL HG23 H 1 0.648 0.005 . 1 . . . . 82 Val HG . 16345 1 979 . 1 1 82 82 VAL C C 13 174.928 0.050 . 1 . . . . 82 Val CO . 16345 1 980 . 1 1 82 82 VAL CA C 13 61.570 0.050 . 1 . . . . 82 Val CA . 16345 1 981 . 1 1 82 82 VAL CB C 13 33.188 0.050 . 1 . . . . 82 Val CB . 16345 1 982 . 1 1 82 82 VAL CG1 C 13 16.608 0.050 . 2 . . . . 82 Val CG1 . 16345 1 983 . 1 1 82 82 VAL CG2 C 13 18.426 0.050 . 2 . . . . 82 Val CG2 . 16345 1 984 . 1 1 82 82 VAL N N 15 121.810 0.050 . 1 . . . . 82 Val N . 16345 1 985 . 1 1 83 83 GLU H H 1 9.429 0.005 . 1 . . . . 83 Glu HN . 16345 1 986 . 1 1 83 83 GLU HA H 1 4.583 0.005 . 1 . . . . 83 Glu HA . 16345 1 987 . 1 1 83 83 GLU HB2 H 1 1.819 0.005 . 1 . . . . 83 Glu HB . 16345 1 988 . 1 1 83 83 GLU HB3 H 1 1.819 0.005 . 1 . . . . 83 Glu HB . 16345 1 989 . 1 1 83 83 GLU HG2 H 1 2.044 0.005 . 1 . . . . 83 Glu HG . 16345 1 990 . 1 1 83 83 GLU HG3 H 1 2.044 0.005 . 1 . . . . 83 Glu HG . 16345 1 991 . 1 1 83 83 GLU C C 13 174.283 0.050 . 1 . . . . 83 Glu CO . 16345 1 992 . 1 1 83 83 GLU CA C 13 56.276 0.050 . 1 . . . . 83 Glu CA . 16345 1 993 . 1 1 83 83 GLU CB C 13 31.570 0.050 . 1 . . . . 83 Glu CB . 16345 1 994 . 1 1 83 83 GLU CG C 13 34.519 0.050 . 1 . . . . 83 Glu CG . 16345 1 995 . 1 1 83 83 GLU N N 15 125.928 0.050 . 1 . . . . 83 Glu N . 16345 1 996 . 1 1 84 84 GLU H H 1 9.022 0.005 . 1 . . . . 84 Glu HN . 16345 1 997 . 1 1 84 84 GLU HA H 1 4.552 0.005 . 1 . . . . 84 Glu HA . 16345 1 998 . 1 1 84 84 GLU HB2 H 1 2.092 0.005 . 1 . . . . 84 Glu HB . 16345 1 999 . 1 1 84 84 GLU HB3 H 1 2.092 0.005 . 1 . . . . 84 Glu HB . 16345 1 1000 . 1 1 84 84 GLU C C 13 174.920 0.050 . 1 . . . . 84 Glu CO . 16345 1 1001 . 1 1 84 84 GLU CA C 13 55.692 0.050 . 1 . . . . 84 Glu CA . 16345 1 1002 . 1 1 84 84 GLU CB C 13 26.783 0.050 . 1 . . . . 84 Glu CB . 16345 1 1003 . 1 1 84 84 GLU CG C 13 34.224 0.050 . 1 . . . . 84 Glu CG . 16345 1 1004 . 1 1 84 84 GLU N N 15 127.758 0.050 . 1 . . . . 84 Glu N . 16345 1 1005 . 1 1 85 85 LEU H H 1 7.762 0.005 . 1 . . . . 85 Leu HN . 16345 1 1006 . 1 1 85 85 LEU HA H 1 4.132 0.005 . 1 . . . . 85 Leu HA . 16345 1 1007 . 1 1 85 85 LEU HB2 H 1 1.248 0.005 . 2 . . . . 85 Leu HB1 . 16345 1 1008 . 1 1 85 85 LEU HB3 H 1 1.611 0.005 . 2 . . . . 85 Leu HB2 . 16345 1 1009 . 1 1 85 85 LEU HD11 H 1 0.637 0.005 . 2 . . . . 85 Leu HD1 . 16345 1 1010 . 1 1 85 85 LEU HD12 H 1 0.637 0.005 . 2 . . . . 85 Leu HD1 . 16345 1 1011 . 1 1 85 85 LEU HD13 H 1 0.637 0.005 . 2 . . . . 85 Leu HD1 . 16345 1 1012 . 1 1 85 85 LEU HD21 H 1 0.747 0.005 . 2 . . . . 85 Leu HD2 . 16345 1 1013 . 1 1 85 85 LEU HD22 H 1 0.747 0.005 . 2 . . . . 85 Leu HD2 . 16345 1 1014 . 1 1 85 85 LEU HD23 H 1 0.747 0.005 . 2 . . . . 85 Leu HD2 . 16345 1 1015 . 1 1 85 85 LEU HG H 1 1.474 0.005 . 1 . . . . 85 Leu HG . 16345 1 1016 . 1 1 85 85 LEU C C 13 178.696 0.050 . 1 . . . . 85 Leu CO . 16345 1 1017 . 1 1 85 85 LEU CA C 13 57.305 0.050 . 1 . . . . 85 Leu CA . 16345 1 1018 . 1 1 85 85 LEU CB C 13 41.059 0.050 . 1 . . . . 85 Leu CB . 16345 1 1019 . 1 1 85 85 LEU CD1 C 13 20.808 0.050 . 2 . . . . 85 Leu CD1 . 16345 1 1020 . 1 1 85 85 LEU CD2 C 13 22.859 0.050 . 2 . . . . 85 Leu CD2 . 16345 1 1021 . 1 1 85 85 LEU CG C 13 25.646 0.050 . 1 . . . . 85 Leu CG . 16345 1 1022 . 1 1 85 85 LEU N N 15 127.096 0.050 . 1 . . . . 85 Leu N . 16345 1 1023 . 1 1 86 86 GLY H H 1 7.860 0.005 . 1 . . . . 86 Gly HN . 16345 1 1024 . 1 1 86 86 GLY HA2 H 1 2.203 0.005 . 1 . . . . 86 Gly HA1 . 16345 1 1025 . 1 1 86 86 GLY HA3 H 1 3.812 0.005 . 1 . . . . 86 Gly HA2 . 16345 1 1026 . 1 1 86 86 GLY C C 13 174.222 0.050 . 1 . . . . 86 Gly CO . 16345 1 1027 . 1 1 86 86 GLY CA C 13 43.479 0.050 . 1 . . . . 86 Gly CA . 16345 1 1028 . 1 1 86 86 GLY N N 15 105.332 0.050 . 1 . . . . 86 Gly N . 16345 1 1029 . 1 1 87 87 LEU H H 1 8.546 0.005 . 1 . . . . 87 Leu HN . 16345 1 1030 . 1 1 87 87 LEU HA H 1 4.824 0.005 . 1 . . . . 87 Leu HA . 16345 1 1031 . 1 1 87 87 LEU HB2 H 1 1.417 0.005 . 2 . . . . 87 Leu HB1 . 16345 1 1032 . 1 1 87 87 LEU HB3 H 1 1.666 0.005 . 2 . . . . 87 Leu HB2 . 16345 1 1033 . 1 1 87 87 LEU HD11 H 1 0.920 0.005 . 1 . . . . 87 Leu HD . 16345 1 1034 . 1 1 87 87 LEU HD12 H 1 0.920 0.005 . 1 . . . . 87 Leu HD . 16345 1 1035 . 1 1 87 87 LEU HD13 H 1 0.920 0.005 . 1 . . . . 87 Leu HD . 16345 1 1036 . 1 1 87 87 LEU HD21 H 1 0.920 0.005 . 1 . . . . 87 Leu HD . 16345 1 1037 . 1 1 87 87 LEU HD22 H 1 0.920 0.005 . 1 . . . . 87 Leu HD . 16345 1 1038 . 1 1 87 87 LEU HD23 H 1 0.920 0.005 . 1 . . . . 87 Leu HD . 16345 1 1039 . 1 1 87 87 LEU HG H 1 1.668 0.005 . 1 . . . . 87 Leu HG . 16345 1 1040 . 1 1 87 87 LEU C C 13 177.984 0.050 . 1 . . . . 87 Leu CO . 16345 1 1041 . 1 1 87 87 LEU CA C 13 56.114 0.050 . 1 . . . . 87 Leu CA . 16345 1 1042 . 1 1 87 87 LEU CB C 13 41.574 0.050 . 1 . . . . 87 Leu CB . 16345 1 1043 . 1 1 87 87 LEU CD1 C 13 22.394 0.050 . 1 . . . . 87 Leu CD . 16345 1 1044 . 1 1 87 87 LEU CD2 C 13 22.394 0.050 . 1 . . . . 87 Leu CD . 16345 1 1045 . 1 1 87 87 LEU CG C 13 24.753 0.050 . 1 . . . . 87 Leu CG . 16345 1 1046 . 1 1 87 87 LEU N N 15 122.856 0.050 . 1 . . . . 87 Leu N . 16345 1 1047 . 1 1 88 88 ARG H H 1 8.830 0.005 . 1 . . . . 88 Arg HN . 16345 1 1048 . 1 1 88 88 ARG HA H 1 4.484 0.005 . 1 . . . . 88 Arg HA . 16345 1 1049 . 1 1 88 88 ARG HB2 H 1 1.128 0.005 . 1 . . . . 88 Arg HB . 16345 1 1050 . 1 1 88 88 ARG HB3 H 1 1.128 0.005 . 1 . . . . 88 Arg HB . 16345 1 1051 . 1 1 88 88 ARG HG2 H 1 1.503 0.005 . 1 . . . . 88 Arg HG . 16345 1 1052 . 1 1 88 88 ARG HG3 H 1 1.503 0.005 . 1 . . . . 88 Arg HG . 16345 1 1053 . 1 1 88 88 ARG C C 13 175.118 0.050 . 1 . . . . 88 Arg CO . 16345 1 1054 . 1 1 88 88 ARG CA C 13 54.864 0.050 . 1 . . . . 88 Arg CA . 16345 1 1055 . 1 1 88 88 ARG CB C 13 32.277 0.050 . 1 . . . . 88 Arg CB . 16345 1 1056 . 1 1 88 88 ARG CG C 13 23.885 0.050 . 1 . . . . 88 Arg CG . 16345 1 1057 . 1 1 88 88 ARG N N 15 123.136 0.050 . 1 . . . . 88 Arg N . 16345 1 1058 . 1 1 89 89 ARG H H 1 8.288 0.005 . 1 . . . . 89 Arg HN . 16345 1 1059 . 1 1 89 89 ARG HA H 1 4.344 0.005 . 1 . . . . 89 Arg HA . 16345 1 1060 . 1 1 89 89 ARG HB2 H 1 1.736 0.005 . 1 . . . . 89 Arg HB . 16345 1 1061 . 1 1 89 89 ARG HB3 H 1 1.736 0.005 . 1 . . . . 89 Arg HB . 16345 1 1062 . 1 1 89 89 ARG HD2 H 1 3.142 0.005 . 1 . . . . 89 Arg HD . 16345 1 1063 . 1 1 89 89 ARG HD3 H 1 3.142 0.005 . 1 . . . . 89 Arg HD . 16345 1 1064 . 1 1 89 89 ARG HG2 H 1 1.506 0.005 . 1 . . . . 89 Arg HG . 16345 1 1065 . 1 1 89 89 ARG HG3 H 1 1.506 0.005 . 1 . . . . 89 Arg HG . 16345 1 1066 . 1 1 89 89 ARG C C 13 176.029 0.050 . 1 . . . . 89 Arg CO . 16345 1 1067 . 1 1 89 89 ARG CA C 13 57.348 0.050 . 1 . . . . 89 Arg CA . 16345 1 1068 . 1 1 89 89 ARG CB C 13 28.729 0.050 . 1 . . . . 89 Arg CB . 16345 1 1069 . 1 1 89 89 ARG CD C 13 43.304 0.050 . 1 . . . . 89 Arg CD . 16345 1 1070 . 1 1 89 89 ARG CG C 13 25.353 0.050 . 1 . . . . 89 Arg CG . 16345 1 1071 . 1 1 89 89 ARG N N 15 120.468 0.050 . 1 . . . . 89 Arg N . 16345 1 1072 . 1 1 90 90 LEU H H 1 8.255 0.005 . 1 . . . . 90 Leu HN . 16345 1 1073 . 1 1 90 90 LEU HA H 1 4.374 0.005 . 1 . . . . 90 Leu HA . 16345 1 1074 . 1 1 90 90 LEU HB2 H 1 1.275 0.005 . 2 . . . . 90 Leu HB1 . 16345 1 1075 . 1 1 90 90 LEU HB3 H 1 1.551 0.005 . 2 . . . . 90 Leu HB2 . 16345 1 1076 . 1 1 90 90 LEU HD11 H 1 0.746 0.005 . 1 . . . . 90 Leu HD . 16345 1 1077 . 1 1 90 90 LEU HD12 H 1 0.746 0.005 . 1 . . . . 90 Leu HD . 16345 1 1078 . 1 1 90 90 LEU HD13 H 1 0.746 0.005 . 1 . . . . 90 Leu HD . 16345 1 1079 . 1 1 90 90 LEU HD21 H 1 0.746 0.005 . 1 . . . . 90 Leu HD . 16345 1 1080 . 1 1 90 90 LEU HD22 H 1 0.746 0.005 . 1 . . . . 90 Leu HD . 16345 1 1081 . 1 1 90 90 LEU HD23 H 1 0.746 0.005 . 1 . . . . 90 Leu HD . 16345 1 1082 . 1 1 90 90 LEU HG H 1 1.444 0.005 . 1 . . . . 90 Leu HG . 16345 1 1083 . 1 1 90 90 LEU C C 13 176.051 0.050 . 1 . . . . 90 Leu CO . 16345 1 1084 . 1 1 90 90 LEU CA C 13 55.732 0.050 . 1 . . . . 90 Leu CA . 16345 1 1085 . 1 1 90 90 LEU CB C 13 42.088 0.050 . 1 . . . . 90 Leu CB . 16345 1 1086 . 1 1 90 90 LEU CD1 C 13 22.264 0.050 . 1 . . . . 90 Leu CD . 16345 1 1087 . 1 1 90 90 LEU CD2 C 13 22.264 0.050 . 1 . . . . 90 Leu CD . 16345 1 1088 . 1 1 90 90 LEU CG C 13 24.962 0.050 . 1 . . . . 90 Leu CG . 16345 1 1089 . 1 1 90 90 LEU N N 15 124.172 0.050 . 1 . . . . 90 Leu N . 16345 1 1090 . 1 1 91 91 ALA H H 1 8.196 0.005 . 1 . . . . 91 Ala HN . 16345 1 1091 . 1 1 91 91 ALA HA H 1 4.086 0.005 . 1 . . . . 91 Ala HA . 16345 1 1092 . 1 1 91 91 ALA HB1 H 1 1.245 0.005 . 1 . . . . 91 Ala HB . 16345 1 1093 . 1 1 91 91 ALA HB2 H 1 1.245 0.005 . 1 . . . . 91 Ala HB . 16345 1 1094 . 1 1 91 91 ALA HB3 H 1 1.245 0.005 . 1 . . . . 91 Ala HB . 16345 1 1095 . 1 1 91 91 ALA C C 13 175.617 0.050 . 1 . . . . 91 Ala CO . 16345 1 1096 . 1 1 91 91 ALA CA C 13 52.299 0.050 . 1 . . . . 91 Ala CA . 16345 1 1097 . 1 1 91 91 ALA CB C 13 16.767 0.050 . 1 . . . . 91 Ala CB . 16345 1 1098 . 1 1 91 91 ALA N N 15 123.898 0.050 . 1 . . . . 91 Ala N . 16345 1 1099 . 1 1 92 92 TYR H H 1 7.977 0.005 . 1 . . . . 92 Tyr HN . 16345 1 1100 . 1 1 92 92 TYR HA H 1 4.672 0.005 . 1 . . . . 92 Tyr HA . 16345 1 1101 . 1 1 92 92 TYR HB2 H 1 2.779 0.005 . 2 . . . . 92 Tyr HB1 . 16345 1 1102 . 1 1 92 92 TYR HB3 H 1 2.979 0.005 . 2 . . . . 92 Tyr HB2 . 16345 1 1103 . 1 1 92 92 TYR CA C 13 57.042 0.050 . 1 . . . . 92 Tyr CA . 16345 1 1104 . 1 1 92 92 TYR CB C 13 39.056 0.050 . 1 . . . . 92 Tyr CB . 16345 1 1105 . 1 1 92 92 TYR N N 15 120.378 0.050 . 1 . . . . 92 Tyr N . 16345 1 1106 . 1 1 93 93 PRO HA H 1 4.362 0.005 . 1 . . . . 93 Pro HA . 16345 1 1107 . 1 1 93 93 PRO HB2 H 1 1.825 0.005 . 2 . . . . 93 Pro HB1 . 16345 1 1108 . 1 1 93 93 PRO HB3 H 1 2.163 0.005 . 2 . . . . 93 Pro HB2 . 16345 1 1109 . 1 1 93 93 PRO C C 13 176.373 0.050 . 1 . . . . 93 Pro CO . 16345 1 1110 . 1 1 93 93 PRO CA C 13 64.498 0.050 . 1 . . . . 93 Pro CA . 16345 1 1111 . 1 1 93 93 PRO CB C 13 30.028 0.050 . 1 . . . . 93 Pro CB . 16345 1 1112 . 1 1 93 93 PRO CD C 13 50.983 0.050 . 1 . . . . 93 Pro CD . 16345 1 1113 . 1 1 93 93 PRO CG C 13 24.988 0.050 . 1 . . . . 93 Pro CG . 16345 1 1114 . 1 1 94 94 ILE H H 1 8.127 0.005 . 1 . . . . 94 Ile HN . 16345 1 1115 . 1 1 94 94 ILE HA H 1 4.094 0.005 . 1 . . . . 94 Ile HA . 16345 1 1116 . 1 1 94 94 ILE HB H 1 1.775 0.005 . 1 . . . . 94 Ile HB . 16345 1 1117 . 1 1 94 94 ILE HD11 H 1 0.825 0.005 . 1 . . . . 94 Ile HD1 . 16345 1 1118 . 1 1 94 94 ILE HD12 H 1 0.825 0.005 . 1 . . . . 94 Ile HD1 . 16345 1 1119 . 1 1 94 94 ILE HD13 H 1 0.825 0.005 . 1 . . . . 94 Ile HD1 . 16345 1 1120 . 1 1 94 94 ILE HG12 H 1 0.969 0.005 . 2 . . . . 94 Ile HG11 . 16345 1 1121 . 1 1 94 94 ILE HG13 H 1 1.579 0.005 . 2 . . . . 94 Ile HG12 . 16345 1 1122 . 1 1 94 94 ILE HG21 H 1 0.903 0.005 . 1 . . . . 94 Ile HG2 . 16345 1 1123 . 1 1 94 94 ILE HG22 H 1 0.903 0.005 . 1 . . . . 94 Ile HG2 . 16345 1 1124 . 1 1 94 94 ILE HG23 H 1 0.903 0.005 . 1 . . . . 94 Ile HG2 . 16345 1 1125 . 1 1 94 94 ILE C C 13 175.617 0.050 . 1 . . . . 94 Ile CO . 16345 1 1126 . 1 1 94 94 ILE CA C 13 62.284 0.050 . 1 . . . . 94 Ile CA . 16345 1 1127 . 1 1 94 94 ILE CB C 13 37.874 0.050 . 1 . . . . 94 Ile CB . 16345 1 1128 . 1 1 94 94 ILE CD1 C 13 9.278 0.050 . 1 . . . . 94 Ile CD1 . 16345 1 1129 . 1 1 94 94 ILE CG1 C 13 24.865 0.050 . 1 . . . . 94 Ile CG1 . 16345 1 1130 . 1 1 94 94 ILE CG2 C 13 14.247 0.050 . 1 . . . . 94 Ile CG2 . 16345 1 1131 . 1 1 94 94 ILE N N 15 121.332 0.050 . 1 . . . . 94 Ile N . 16345 1 1132 . 1 1 95 95 ALA H H 1 8.281 0.005 . 1 . . . . 95 Ala HN . 16345 1 1133 . 1 1 95 95 ALA HA H 1 4.311 0.005 . 1 . . . . 95 Ala HA . 16345 1 1134 . 1 1 95 95 ALA HB1 H 1 1.326 0.005 . 1 . . . . 95 Ala HB . 16345 1 1135 . 1 1 95 95 ALA HB2 H 1 1.326 0.005 . 1 . . . . 95 Ala HB . 16345 1 1136 . 1 1 95 95 ALA HB3 H 1 1.326 0.005 . 1 . . . . 95 Ala HB . 16345 1 1137 . 1 1 95 95 ALA C C 13 176.222 0.050 . 1 . . . . 95 Ala CO . 16345 1 1138 . 1 1 95 95 ALA CA C 13 52.670 0.050 . 1 . . . . 95 Ala CA . 16345 1 1139 . 1 1 95 95 ALA CB C 13 16.518 0.050 . 1 . . . . 95 Ala CB . 16345 1 1140 . 1 1 95 95 ALA N N 15 129.133 0.050 . 1 . . . . 95 Ala N . 16345 1 1141 . 1 1 96 96 LYS H H 1 7.892 0.005 . 1 . . . . 96 Lys HN . 16345 1 1142 . 1 1 96 96 LYS HA H 1 4.078 0.005 . 1 . . . . 96 Lys HA . 16345 1 1143 . 1 1 96 96 LYS HB2 H 1 1.629 0.005 . 2 . . . . 96 Lys HB1 . 16345 1 1144 . 1 1 96 96 LYS HB3 H 1 1.733 0.005 . 2 . . . . 96 Lys HB2 . 16345 1 1145 . 1 1 96 96 LYS HD2 H 1 1.635 0.005 . 1 . . . . 96 Lys HD . 16345 1 1146 . 1 1 96 96 LYS HD3 H 1 1.635 0.005 . 1 . . . . 96 Lys HD . 16345 1 1147 . 1 1 96 96 LYS HE2 H 1 2.882 0.005 . 1 . . . . 96 Lys HE . 16345 1 1148 . 1 1 96 96 LYS HE3 H 1 2.882 0.005 . 1 . . . . 96 Lys HE . 16345 1 1149 . 1 1 96 96 LYS HG2 H 1 1.337 0.005 . 1 . . . . 96 Lys HG . 16345 1 1150 . 1 1 96 96 LYS HG3 H 1 1.337 0.005 . 1 . . . . 96 Lys HG . 16345 1 1151 . 1 1 96 96 LYS CA C 13 58.739 0.050 . 1 . . . . 96 Lys CA . 16345 1 1152 . 1 1 96 96 LYS CB C 13 32.025 0.050 . 1 . . . . 96 Lys CB . 16345 1 1153 . 1 1 96 96 LYS CD C 13 27.187 0.050 . 1 . . . . 96 Lys CD . 16345 1 1154 . 1 1 96 96 LYS CE C 13 41.329 0.050 . 1 . . . . 96 Lys CE . 16345 1 1155 . 1 1 96 96 LYS CG C 13 22.418 0.050 . 1 . . . . 96 Lys CG . 16345 1 1156 . 1 1 96 96 LYS N N 15 126.645 0.050 . 1 . . . . 96 Lys N . 16345 1 stop_ save_