data_26690 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26690 _Entry.Title ; Backbone and sidechain 1H, 13C, and 15N resonance assignments for Methylobacterium extorquens PqqD + PqqA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-14 _Entry.Accession_date 2015-10-14 _Entry.Last_release_date 2016-10-04 _Entry.Original_release_date 2016-10-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Robert Evans . L. III . 26690 2 Youlin Xia . . . . 26690 3 John Latham . . . . 26690 4 Robert Barr . I. . . 26690 5 Judith Klinman . . . . 26690 6 Carrie Wilmot . . . . 26690 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26690 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Minnesota' . 26690 2 . 'Univ. of CA, Berkeley' . 26690 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26690 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 408 26690 '15N chemical shifts' 88 26690 '1H chemical shifts' 658 26690 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-10-04 . original BMRB . 26690 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26696 'Complex of PqqD + PqqA + PqqE' 26690 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26690 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27638737 _Citation.Full_citation . _Citation.Title ; (1)H, (13)C, and (15)N resonance assignments and secondary structure information for Methylobacterium extorquens PqqD and the complex of PqqD with PqqA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 385 _Citation.Page_last 389 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Robert Evans . L. III . 26690 1 2 Youlin Xia . . . . 26690 1 3 John Latham . . . . 26690 1 4 Robert Barr . I. . . 26690 1 5 Judith Klinman . . . . 26690 1 6 Carrie Wilmot . C. . . 26690 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID PqqD 26690 1 PqqD+PqqA 26690 1 binding 26690 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26690 _Assembly.ID 1 _Assembly.Name 'protein + bound peptide' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13483.3 _Assembly.Enzyme_commission_number . _Assembly.Details 'PqqD + PqqA (bound)' _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 PqqD 1 $PqqD A . yes native no no . . . 26690 1 2 PqqA 2 $PqqA B . no native no no . . . 26690 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'PqqD is a scaffolding protein' 26690 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PqqD _Entity.Sf_category entity _Entity.Sf_framecode PqqD _Entity.Entry_ID 26690 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PqqD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEPTAFSGSDVPRLPRGVRL RFDEVRNKHVLLAPERTFDL DDNAVAVLKLVDGRNTVSQI AQILGQTYDADPAIIEADIL PMLAGLAQKRVLER ; _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 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . 26690 1 2 . GLU . 26690 1 3 . PRO . 26690 1 4 . THR . 26690 1 5 . ALA . 26690 1 6 . PHE . 26690 1 7 . SER . 26690 1 8 . GLY . 26690 1 9 . SER . 26690 1 10 . ASP . 26690 1 11 . VAL . 26690 1 12 . PRO . 26690 1 13 . ARG . 26690 1 14 . LEU . 26690 1 15 . PRO . 26690 1 16 . ARG . 26690 1 17 . GLY . 26690 1 18 . VAL . 26690 1 19 . ARG . 26690 1 20 . LEU . 26690 1 21 . ARG . 26690 1 22 . PHE . 26690 1 23 . ASP . 26690 1 24 . GLU . 26690 1 25 . VAL . 26690 1 26 . ARG . 26690 1 27 . ASN . 26690 1 28 . LYS . 26690 1 29 . HIS . 26690 1 30 . VAL . 26690 1 31 . LEU . 26690 1 32 . LEU . 26690 1 33 . ALA . 26690 1 34 . PRO . 26690 1 35 . GLU . 26690 1 36 . ARG . 26690 1 37 . THR . 26690 1 38 . PHE . 26690 1 39 . ASP . 26690 1 40 . LEU . 26690 1 41 . ASP . 26690 1 42 . ASP . 26690 1 43 . ASN . 26690 1 44 . ALA . 26690 1 45 . VAL . 26690 1 46 . ALA . 26690 1 47 . VAL . 26690 1 48 . LEU . 26690 1 49 . LYS . 26690 1 50 . LEU . 26690 1 51 . VAL . 26690 1 52 . ASP . 26690 1 53 . GLY . 26690 1 54 . ARG . 26690 1 55 . ASN . 26690 1 56 . THR . 26690 1 57 . VAL . 26690 1 58 . SER . 26690 1 59 . GLN . 26690 1 60 . ILE . 26690 1 61 . ALA . 26690 1 62 . GLN . 26690 1 63 . ILE . 26690 1 64 . LEU . 26690 1 65 . GLY . 26690 1 66 . GLN . 26690 1 67 . THR . 26690 1 68 . TYR . 26690 1 69 . ASP . 26690 1 70 . ALA . 26690 1 71 . ASP . 26690 1 72 . PRO . 26690 1 73 . ALA . 26690 1 74 . ILE . 26690 1 75 . ILE . 26690 1 76 . GLU . 26690 1 77 . ALA . 26690 1 78 . ASP . 26690 1 79 . ILE . 26690 1 80 . LEU . 26690 1 81 . PRO . 26690 1 82 . MET . 26690 1 83 . LEU . 26690 1 84 . ALA . 26690 1 85 . GLY . 26690 1 86 . LEU . 26690 1 87 . ALA . 26690 1 88 . GLN . 26690 1 89 . LYS . 26690 1 90 . ARG . 26690 1 91 . VAL . 26690 1 92 . LEU . 26690 1 93 . GLU . 26690 1 94 . ARG . 26690 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 26690 1 . GLU 2 2 26690 1 . PRO 3 3 26690 1 . THR 4 4 26690 1 . ALA 5 5 26690 1 . PHE 6 6 26690 1 . SER 7 7 26690 1 . GLY 8 8 26690 1 . SER 9 9 26690 1 . ASP 10 10 26690 1 . VAL 11 11 26690 1 . PRO 12 12 26690 1 . ARG 13 13 26690 1 . LEU 14 14 26690 1 . PRO 15 15 26690 1 . ARG 16 16 26690 1 . GLY 17 17 26690 1 . VAL 18 18 26690 1 . ARG 19 19 26690 1 . LEU 20 20 26690 1 . ARG 21 21 26690 1 . PHE 22 22 26690 1 . ASP 23 23 26690 1 . GLU 24 24 26690 1 . VAL 25 25 26690 1 . ARG 26 26 26690 1 . ASN 27 27 26690 1 . LYS 28 28 26690 1 . HIS 29 29 26690 1 . VAL 30 30 26690 1 . LEU 31 31 26690 1 . LEU 32 32 26690 1 . ALA 33 33 26690 1 . PRO 34 34 26690 1 . GLU 35 35 26690 1 . ARG 36 36 26690 1 . THR 37 37 26690 1 . PHE 38 38 26690 1 . ASP 39 39 26690 1 . LEU 40 40 26690 1 . ASP 41 41 26690 1 . ASP 42 42 26690 1 . ASN 43 43 26690 1 . ALA 44 44 26690 1 . VAL 45 45 26690 1 . ALA 46 46 26690 1 . VAL 47 47 26690 1 . LEU 48 48 26690 1 . LYS 49 49 26690 1 . LEU 50 50 26690 1 . VAL 51 51 26690 1 . ASP 52 52 26690 1 . GLY 53 53 26690 1 . ARG 54 54 26690 1 . ASN 55 55 26690 1 . THR 56 56 26690 1 . VAL 57 57 26690 1 . SER 58 58 26690 1 . GLN 59 59 26690 1 . ILE 60 60 26690 1 . ALA 61 61 26690 1 . GLN 62 62 26690 1 . ILE 63 63 26690 1 . LEU 64 64 26690 1 . GLY 65 65 26690 1 . GLN 66 66 26690 1 . THR 67 67 26690 1 . TYR 68 68 26690 1 . ASP 69 69 26690 1 . ALA 70 70 26690 1 . ASP 71 71 26690 1 . PRO 72 72 26690 1 . ALA 73 73 26690 1 . ILE 74 74 26690 1 . ILE 75 75 26690 1 . GLU 76 76 26690 1 . ALA 77 77 26690 1 . ASP 78 78 26690 1 . ILE 79 79 26690 1 . LEU 80 80 26690 1 . PRO 81 81 26690 1 . MET 82 82 26690 1 . LEU 83 83 26690 1 . ALA 84 84 26690 1 . GLY 85 85 26690 1 . LEU 86 86 26690 1 . ALA 87 87 26690 1 . GLN 88 88 26690 1 . LYS 89 89 26690 1 . ARG 90 90 26690 1 . VAL 91 91 26690 1 . LEU 92 92 26690 1 . GLU 93 93 26690 1 . ARG 94 94 26690 1 stop_ save_ save_PqqA _Entity.Sf_category entity _Entity.Sf_framecode PqqA _Entity.Entry_ID 26690 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name PqqA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KWAAPIVSEISVGMEVTSYE SAEIDTFN ; _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 28 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . LYS . 26690 2 2 . TRP . 26690 2 3 . ALA . 26690 2 4 . ALA . 26690 2 5 . PRO . 26690 2 6 . ILE . 26690 2 7 . VAL . 26690 2 8 . SER . 26690 2 9 . GLU . 26690 2 10 . ILE . 26690 2 11 . SER . 26690 2 12 . VAL . 26690 2 13 . GLY . 26690 2 14 . MET . 26690 2 15 . GLU . 26690 2 16 . VAL . 26690 2 17 . THR . 26690 2 18 . SER . 26690 2 19 . TYR . 26690 2 20 . GLU . 26690 2 21 . SER . 26690 2 22 . ALA . 26690 2 23 . GLU . 26690 2 24 . ILE . 26690 2 25 . ASP . 26690 2 26 . THR . 26690 2 27 . PHE . 26690 2 28 . ASN . 26690 2 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 . LYS 1 1 26690 2 . TRP 2 2 26690 2 . ALA 3 3 26690 2 . ALA 4 4 26690 2 . PRO 5 5 26690 2 . ILE 6 6 26690 2 . VAL 7 7 26690 2 . SER 8 8 26690 2 . GLU 9 9 26690 2 . ILE 10 10 26690 2 . SER 11 11 26690 2 . VAL 12 12 26690 2 . GLY 13 13 26690 2 . MET 14 14 26690 2 . GLU 15 15 26690 2 . VAL 16 16 26690 2 . THR 17 17 26690 2 . SER 18 18 26690 2 . TYR 19 19 26690 2 . GLU 20 20 26690 2 . SER 21 21 26690 2 . ALA 22 22 26690 2 . GLU 23 23 26690 2 . ILE 24 24 26690 2 . ASP 25 25 26690 2 . THR 26 26 26690 2 . PHE 27 27 26690 2 . ASN 28 28 26690 2 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 26690 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $PqqD . 408 organism . 'Methylobacterium extorquens' 'Methylobacterium extorquens' . . Bacteria . Methylobacterium extorquens . . . . . . . . . . . pqqd . 26690 1 2 2 $PqqA . 408 organism . 'Methylobacterium extorquens' 'Methylobacterium extorquens' . . Bacteria . Methylobacterium extorquens . . . . . . . . . . . pqqd . 26690 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 26690 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $PqqD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . 26690 1 2 2 $PqqA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . 26690 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26690 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PqqD '[U-100% 13C; U-100% 15N]' . . 1 $PqqD . . 0.4 . . mM . . . . 26690 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 26690 1 3 H2O 'natural abundance' . . . . . . 89 . . % . . . . 26690 1 4 'Potassium phosphate' 'natural abundance' . . . . . . 0.1 . . mM . . . . 26690 1 5 'Sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 26690 1 6 PqqA 'natural abundance' . . 2 $PqqA . . 0.4 . . mM . . . . 26690 1 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 26690 _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' 0.1 . mM 26690 1 pH 6.5 . pH 26690 1 pressure 1 . atm 26690 1 temperature 298 . K 26690 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26690 _Software.ID 1 _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' . . 26690 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26690 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26690 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26690 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26690 2 'peak picking' 26690 2 stop_ save_ save_CSI _Software.Sf_category software _Software.Sf_framecode CSI _Software.Entry_ID 26690 _Software.ID 3 _Software.Name CSI _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Wishart . . 26690 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26690 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 26690 _Software.ID 4 _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' . . 26690 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26690 4 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 26690 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26690 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 26690 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 26690 1 2 spectrometer_2 Bruker Avance . 850 . . . 26690 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 26690 _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 . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26690 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26690 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26690 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26690 1 5 '2D plane of 3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26690 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26690 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26690 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26690 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26690 1 10 '2D HBCBCGCDHD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26690 1 11 '2D HBCBCGCDCEHE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26690 1 12 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26690 1 13 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26690 1 14 '2D plane of HCCH-TOCSY for aromatic ring' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26690 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 26690 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26690 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26690 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26690 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 26690 _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' . . . 26690 1 2 '3D HNCACB' . . . 26690 1 3 '3D CBCA(CO)NH' . . . 26690 1 4 '3D HNCO' . . . 26690 1 5 '2D plane of 3D HCACO' . . . 26690 1 6 '3D HNHA' . . . 26690 1 7 '3D H(CCO)NH' . . . 26690 1 8 '3D C(CO)NH' . . . 26690 1 9 '3D HCCH-TOCSY' . . . 26690 1 10 '2D HBCBCGCDHD' . . . 26690 1 12 '2D 1H-13C HSQC aromatic' . . . 26690 1 13 '2D 1H-13C HSQC aliphatic' . . . 26690 1 14 '2D plane of HCCH-TOCSY for aromatic ring' . . . 26690 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 26690 1 2 $SPARKY . . 26690 1 3 $CSI . . 26690 1 4 $TALOS . . 26690 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 H H 1 8.350 0.008 . 1 . . . . 1 MET H . 26690 1 2 . 1 1 1 1 MET HA H 1 4.438 0.005 . 1 . . . . 1 MET HA . 26690 1 3 . 1 1 1 1 MET HB2 H 1 2.024 0.000 . 1 . . . . 1 MET HB2 . 26690 1 4 . 1 1 1 1 MET HB3 H 1 1.920 0.000 . 1 . . . . 1 MET HB3 . 26690 1 5 . 1 1 1 1 MET HG2 H 1 2.504 0.000 . 1 . . . . 1 MET HG2 . 26690 1 6 . 1 1 1 1 MET HG3 H 1 2.436 0.000 . 1 . . . . 1 MET HG3 . 26690 1 7 . 1 1 1 1 MET C C 13 175.654 0.003 . 1 . . . . 1 MET C . 26690 1 8 . 1 1 1 1 MET CA C 13 55.188 0.003 . 1 . . . . 1 MET CA . 26690 1 9 . 1 1 1 1 MET CB C 13 32.994 0.042 . 1 . . . . 1 MET CB . 26690 1 10 . 1 1 1 1 MET CG C 13 31.836 0.000 . 1 . . . . 1 MET CG . 26690 1 11 . 1 1 1 1 MET N N 15 122.168 0.034 . 1 . . . . 1 MET N . 26690 1 12 . 1 1 2 2 GLU H H 1 8.454 0.007 . 1 . . . . 2 GLU H . 26690 1 13 . 1 1 2 2 GLU HA H 1 4.571 0.007 . 1 . . . . 2 GLU HA . 26690 1 14 . 1 1 2 2 GLU HB2 H 1 2.032 0.000 . 1 . . . . 2 GLU HB2 . 26690 1 15 . 1 1 2 2 GLU HB3 H 1 1.880 0.000 . 1 . . . . 2 GLU HB3 . 26690 1 16 . 1 1 2 2 GLU HG2 H 1 2.288 0.000 . 2 . . . . 2 GLU HG# . 26690 1 17 . 1 1 2 2 GLU HG3 H 1 2.288 0.000 . 2 . . . . 2 GLU HG# . 26690 1 18 . 1 1 2 2 GLU C C 13 174.825 0.000 . 1 . . . . 2 GLU C . 26690 1 19 . 1 1 2 2 GLU CA C 13 54.321 0.000 . 1 . . . . 2 GLU CA . 26690 1 20 . 1 1 2 2 GLU CB C 13 29.595 0.004 . 1 . . . . 2 GLU CB . 26690 1 21 . 1 1 2 2 GLU CG C 13 36.098 0.000 . 1 . . . . 2 GLU CG . 26690 1 22 . 1 1 2 2 GLU N N 15 123.964 0.016 . 1 . . . . 2 GLU N . 26690 1 23 . 1 1 3 3 PRO HA H 1 4.441 0.003 . 1 . . . . 3 PRO HA . 26690 1 24 . 1 1 3 3 PRO HB2 H 1 2.265 0.004 . 1 . . . . 3 PRO HB2 . 26690 1 25 . 1 1 3 3 PRO HB3 H 1 1.908 0.000 . 1 . . . . 3 PRO HB3 . 26690 1 26 . 1 1 3 3 PRO HG2 H 1 2.028 0.000 . 1 . . . . 3 PRO HG2 . 26690 1 27 . 1 1 3 3 PRO HG3 H 1 1.952 0.000 . 1 . . . . 3 PRO HG3 . 26690 1 28 . 1 1 3 3 PRO HD2 H 1 3.813 0.000 . 1 . . . . 3 PRO HD2 . 26690 1 29 . 1 1 3 3 PRO HD3 H 1 3.741 0.000 . 1 . . . . 3 PRO HD3 . 26690 1 30 . 1 1 3 3 PRO C C 13 176.978 0.000 . 1 . . . . 3 PRO C . 26690 1 31 . 1 1 3 3 PRO CA C 13 63.474 0.042 . 1 . . . . 3 PRO CA . 26690 1 32 . 1 1 3 3 PRO CB C 13 32.042 0.034 . 1 . . . . 3 PRO CB . 26690 1 33 . 1 1 3 3 PRO CG C 13 27.342 0.000 . 1 . . . . 3 PRO CG . 26690 1 34 . 1 1 3 3 PRO CD C 13 50.749 0.000 . 1 . . . . 3 PRO CD . 26690 1 35 . 1 1 4 4 THR H H 1 8.083 0.009 . 1 . . . . 4 THR H . 26690 1 36 . 1 1 4 4 THR HA H 1 4.204 0.005 . 1 . . . . 4 THR HA . 26690 1 37 . 1 1 4 4 THR HB H 1 4.212 0.014 . 1 . . . . 4 THR HB . 26690 1 38 . 1 1 4 4 THR HG21 H 1 1.172 0.003 . 1 . . . . 4 THR HG2# . 26690 1 39 . 1 1 4 4 THR HG22 H 1 1.172 0.003 . 1 . . . . 4 THR HG2# . 26690 1 40 . 1 1 4 4 THR HG23 H 1 1.172 0.003 . 1 . . . . 4 THR HG2# . 26690 1 41 . 1 1 4 4 THR C C 13 174.203 0.000 . 1 . . . . 4 THR C . 26690 1 42 . 1 1 4 4 THR CA C 13 61.865 0.021 . 1 . . . . 4 THR CA . 26690 1 43 . 1 1 4 4 THR CB C 13 69.913 0.007 . 1 . . . . 4 THR CB . 26690 1 44 . 1 1 4 4 THR CG2 C 13 21.809 0.000 . 1 . . . . 4 THR CG2 . 26690 1 45 . 1 1 4 4 THR N N 15 113.329 0.049 . 1 . . . . 4 THR N . 26690 1 46 . 1 1 5 5 ALA H H 1 8.123 0.010 . 1 . . . . 5 ALA H . 26690 1 47 . 1 1 5 5 ALA HA H 1 4.353 0.001 . 1 . . . . 5 ALA HA . 26690 1 48 . 1 1 5 5 ALA HB1 H 1 1.389 0.000 . 1 . . . . 5 ALA HB# . 26690 1 49 . 1 1 5 5 ALA HB2 H 1 1.389 0.000 . 1 . . . . 5 ALA HB# . 26690 1 50 . 1 1 5 5 ALA HB3 H 1 1.389 0.000 . 1 . . . . 5 ALA HB# . 26690 1 51 . 1 1 5 5 ALA C C 13 177.483 0.000 . 1 . . . . 5 ALA C . 26690 1 52 . 1 1 5 5 ALA CA C 13 52.377 0.048 . 1 . . . . 5 ALA CA . 26690 1 53 . 1 1 5 5 ALA CB C 13 19.572 0.024 . 1 . . . . 5 ALA CB . 26690 1 54 . 1 1 5 5 ALA N N 15 126.110 0.030 . 1 . . . . 5 ALA N . 26690 1 55 . 1 1 6 6 PHE H H 1 8.632 0.009 . 1 . . . . 6 PHE H . 26690 1 56 . 1 1 6 6 PHE HA H 1 4.549 0.009 . 1 . . . . 6 PHE HA . 26690 1 57 . 1 1 6 6 PHE HB2 H 1 2.931 0.003 . 2 . . . . 6 PHE HB# . 26690 1 58 . 1 1 6 6 PHE HB3 H 1 2.931 0.003 . 2 . . . . 6 PHE HB# . 26690 1 59 . 1 1 6 6 PHE HD1 H 1 7.150 0.002 . 3 . . . . 6 PHE HD# . 26690 1 60 . 1 1 6 6 PHE HD2 H 1 7.150 0.002 . 3 . . . . 6 PHE HD# . 26690 1 61 . 1 1 6 6 PHE HE1 H 1 6.929 0.003 . 3 . . . . 6 PHE HE# . 26690 1 62 . 1 1 6 6 PHE HE2 H 1 6.929 0.003 . 3 . . . . 6 PHE HE# . 26690 1 63 . 1 1 6 6 PHE HZ H 1 6.763 0.004 . 1 . . . . 6 PHE HZ . 26690 1 64 . 1 1 6 6 PHE C C 13 175.157 0.000 . 1 . . . . 6 PHE C . 26690 1 65 . 1 1 6 6 PHE CA C 13 57.838 0.042 . 1 . . . . 6 PHE CA . 26690 1 66 . 1 1 6 6 PHE CB C 13 41.817 0.029 . 1 . . . . 6 PHE CB . 26690 1 67 . 1 1 6 6 PHE CD1 C 13 130.705 0.000 . 3 . . . . 6 PHE CD# . 26690 1 68 . 1 1 6 6 PHE CD2 C 13 130.705 0.000 . 3 . . . . 6 PHE CD# . 26690 1 69 . 1 1 6 6 PHE CE1 C 13 131.228 0.000 . 3 . . . . 6 PHE CE# . 26690 1 70 . 1 1 6 6 PHE CE2 C 13 131.228 0.000 . 3 . . . . 6 PHE CE# . 26690 1 71 . 1 1 6 6 PHE CZ C 13 128.534 0.000 . 1 . . . . 6 PHE CZ . 26690 1 72 . 1 1 6 6 PHE N N 15 122.881 0.047 . 1 . . . . 6 PHE N . 26690 1 73 . 1 1 7 7 SER H H 1 9.175 0.005 . 1 . . . . 7 SER H . 26690 1 74 . 1 1 7 7 SER HA H 1 4.800 0.005 . 1 . . . . 7 SER HA . 26690 1 75 . 1 1 7 7 SER HB2 H 1 3.859 0.000 . 1 . . . . 7 SER HB2 . 26690 1 76 . 1 1 7 7 SER HB3 H 1 3.764 0.000 . 1 . . . . 7 SER HB3 . 26690 1 77 . 1 1 7 7 SER C C 13 175.127 0.000 . 1 . . . . 7 SER C . 26690 1 78 . 1 1 7 7 SER CA C 13 56.983 0.008 . 1 . . . . 7 SER CA . 26690 1 79 . 1 1 7 7 SER CB C 13 66.318 0.010 . 1 . . . . 7 SER CB . 26690 1 80 . 1 1 7 7 SER N N 15 118.168 0.026 . 1 . . . . 7 SER N . 26690 1 81 . 1 1 8 8 GLY H H 1 8.927 0.005 . 1 . . . . 8 GLY H . 26690 1 82 . 1 1 8 8 GLY HA2 H 1 4.016 0.000 . 1 . . . . 8 GLY HA2 . 26690 1 83 . 1 1 8 8 GLY HA3 H 1 3.614 0.000 . 1 . . . . 8 GLY HA3 . 26690 1 84 . 1 1 8 8 GLY C C 13 173.955 0.000 . 1 . . . . 8 GLY C . 26690 1 85 . 1 1 8 8 GLY CA C 13 47.525 0.010 . 1 . . . . 8 GLY CA . 26690 1 86 . 1 1 8 8 GLY N N 15 108.960 0.007 . 1 . . . . 8 GLY N . 26690 1 87 . 1 1 9 9 SER H H 1 7.615 0.006 . 1 . . . . 9 SER H . 26690 1 88 . 1 1 9 9 SER HA H 1 4.431 0.003 . 1 . . . . 9 SER HA . 26690 1 89 . 1 1 9 9 SER HB2 H 1 4.010 0.000 . 1 . . . . 9 SER HB2 . 26690 1 90 . 1 1 9 9 SER HB3 H 1 3.793 0.000 . 1 . . . . 9 SER HB3 . 26690 1 91 . 1 1 9 9 SER C C 13 174.656 0.000 . 1 . . . . 9 SER C . 26690 1 92 . 1 1 9 9 SER CA C 13 58.373 0.018 . 1 . . . . 9 SER CA . 26690 1 93 . 1 1 9 9 SER CB C 13 63.710 0.001 . 1 . . . . 9 SER CB . 26690 1 94 . 1 1 9 9 SER N N 15 109.345 0.014 . 1 . . . . 9 SER N . 26690 1 95 . 1 1 10 10 ASP H H 1 7.610 0.005 . 1 . . . . 10 ASP H . 26690 1 96 . 1 1 10 10 ASP HA H 1 4.492 0.006 . 1 . . . . 10 ASP HA . 26690 1 97 . 1 1 10 10 ASP HB2 H 1 2.949 0.000 . 1 . . . . 10 ASP HB2 . 26690 1 98 . 1 1 10 10 ASP HB3 H 1 2.064 0.000 . 1 . . . . 10 ASP HB3 . 26690 1 99 . 1 1 10 10 ASP C C 13 174.888 0.003 . 1 . . . . 10 ASP C . 26690 1 100 . 1 1 10 10 ASP CA C 13 55.542 0.030 . 1 . . . . 10 ASP CA . 26690 1 101 . 1 1 10 10 ASP CB C 13 42.725 0.016 . 1 . . . . 10 ASP CB . 26690 1 102 . 1 1 10 10 ASP N N 15 122.159 0.008 . 1 . . . . 10 ASP N . 26690 1 103 . 1 1 11 11 VAL H H 1 8.812 0.004 . 1 . . . . 11 VAL H . 26690 1 104 . 1 1 11 11 VAL HA H 1 4.755 0.002 . 1 . . . . 11 VAL HA . 26690 1 105 . 1 1 11 11 VAL HB H 1 1.941 0.000 . 1 . . . . 11 VAL HB . 26690 1 106 . 1 1 11 11 VAL HG11 H 1 0.860 0.000 . 1 . . . . 11 VAL HG1# . 26690 1 107 . 1 1 11 11 VAL HG12 H 1 0.860 0.000 . 1 . . . . 11 VAL HG1# . 26690 1 108 . 1 1 11 11 VAL HG13 H 1 0.860 0.000 . 1 . . . . 11 VAL HG1# . 26690 1 109 . 1 1 11 11 VAL HG21 H 1 0.552 0.000 . 1 . . . . 11 VAL HG2# . 26690 1 110 . 1 1 11 11 VAL HG22 H 1 0.552 0.000 . 1 . . . . 11 VAL HG2# . 26690 1 111 . 1 1 11 11 VAL HG23 H 1 0.552 0.000 . 1 . . . . 11 VAL HG2# . 26690 1 112 . 1 1 11 11 VAL C C 13 173.842 0.000 . 1 . . . . 11 VAL C . 26690 1 113 . 1 1 11 11 VAL CA C 13 58.886 0.013 . 1 . . . . 11 VAL CA . 26690 1 114 . 1 1 11 11 VAL CB C 13 32.499 0.000 . 1 . . . . 11 VAL CB . 26690 1 115 . 1 1 11 11 VAL CG1 C 13 21.298 0.000 . 1 . . . . 11 VAL CG1 . 26690 1 116 . 1 1 11 11 VAL CG2 C 13 20.498 0.000 . 1 . . . . 11 VAL CG2 . 26690 1 117 . 1 1 11 11 VAL N N 15 120.829 0.020 . 1 . . . . 11 VAL N . 26690 1 118 . 1 1 12 12 PRO HA H 1 5.178 0.005 . 1 . . . . 12 PRO HA . 26690 1 119 . 1 1 12 12 PRO HB2 H 1 2.072 0.000 . 1 . . . . 12 PRO HB2 . 26690 1 120 . 1 1 12 12 PRO HB3 H 1 2.004 0.000 . 1 . . . . 12 PRO HB3 . 26690 1 121 . 1 1 12 12 PRO HG2 H 1 1.628 0.004 . 2 . . . . 12 PRO HG# . 26690 1 122 . 1 1 12 12 PRO HG3 H 1 1.628 0.004 . 2 . . . . 12 PRO HG# . 26690 1 123 . 1 1 12 12 PRO HD2 H 1 3.719 0.006 . 2 . . . . 12 PRO HD# . 26690 1 124 . 1 1 12 12 PRO HD3 H 1 3.719 0.006 . 2 . . . . 12 PRO HD# . 26690 1 125 . 1 1 12 12 PRO C C 13 175.063 0.000 . 1 . . . . 12 PRO C . 26690 1 126 . 1 1 12 12 PRO CA C 13 61.322 0.005 . 1 . . . . 12 PRO CA . 26690 1 127 . 1 1 12 12 PRO CB C 13 32.935 0.028 . 1 . . . . 12 PRO CB . 26690 1 128 . 1 1 12 12 PRO CG C 13 27.696 0.000 . 1 . . . . 12 PRO CG . 26690 1 129 . 1 1 12 12 PRO CD C 13 50.230 0.000 . 1 . . . . 12 PRO CD . 26690 1 130 . 1 1 13 13 ARG H H 1 8.721 0.005 . 1 . . . . 13 ARG H . 26690 1 131 . 1 1 13 13 ARG HA H 1 4.489 0.007 . 1 . . . . 13 ARG HA . 26690 1 132 . 1 1 13 13 ARG HB2 H 1 1.591 0.004 . 1 . . . . 13 ARG HB2 . 26690 1 133 . 1 1 13 13 ARG HB3 H 1 1.536 0.003 . 1 . . . . 13 ARG HB3 . 26690 1 134 . 1 1 13 13 ARG HG2 H 1 1.394 0.000 . 1 . . . . 13 ARG HG2 . 26690 1 135 . 1 1 13 13 ARG HG3 H 1 1.323 0.000 . 1 . . . . 13 ARG HG3 . 26690 1 136 . 1 1 13 13 ARG HD2 H 1 3.141 0.000 . 2 . . . . 13 ARG HD# . 26690 1 137 . 1 1 13 13 ARG HD3 H 1 3.141 0.000 . 2 . . . . 13 ARG HD# . 26690 1 138 . 1 1 13 13 ARG C C 13 174.497 0.000 . 1 . . . . 13 ARG C . 26690 1 139 . 1 1 13 13 ARG CA C 13 54.740 0.009 . 1 . . . . 13 ARG CA . 26690 1 140 . 1 1 13 13 ARG CB C 13 33.805 0.009 . 1 . . . . 13 ARG CB . 26690 1 141 . 1 1 13 13 ARG CG C 13 27.289 0.000 . 1 . . . . 13 ARG CG . 26690 1 142 . 1 1 13 13 ARG CD C 13 43.372 0.000 . 1 . . . . 13 ARG CD . 26690 1 143 . 1 1 13 13 ARG N N 15 117.144 0.013 . 1 . . . . 13 ARG N . 26690 1 144 . 1 1 14 14 LEU H H 1 9.051 0.007 . 1 . . . . 14 LEU H . 26690 1 145 . 1 1 14 14 LEU HA H 1 4.818 0.007 . 1 . . . . 14 LEU HA . 26690 1 146 . 1 1 14 14 LEU HB2 H 1 1.858 0.005 . 1 . . . . 14 LEU HB2 . 26690 1 147 . 1 1 14 14 LEU HB3 H 1 1.302 0.003 . 1 . . . . 14 LEU HB3 . 26690 1 148 . 1 1 14 14 LEU HG H 1 1.730 0.005 . 1 . . . . 14 LEU HG . 26690 1 149 . 1 1 14 14 LEU HD11 H 1 0.943 0.002 . 1 . . . . 14 LEU HD1# . 26690 1 150 . 1 1 14 14 LEU HD12 H 1 0.943 0.002 . 1 . . . . 14 LEU HD1# . 26690 1 151 . 1 1 14 14 LEU HD13 H 1 0.943 0.002 . 1 . . . . 14 LEU HD1# . 26690 1 152 . 1 1 14 14 LEU HD21 H 1 0.881 0.002 . 1 . . . . 14 LEU HD2# . 26690 1 153 . 1 1 14 14 LEU HD22 H 1 0.881 0.002 . 1 . . . . 14 LEU HD2# . 26690 1 154 . 1 1 14 14 LEU HD23 H 1 0.881 0.002 . 1 . . . . 14 LEU HD2# . 26690 1 155 . 1 1 14 14 LEU C C 13 174.508 0.000 . 1 . . . . 14 LEU C . 26690 1 156 . 1 1 14 14 LEU CA C 13 52.301 0.007 . 1 . . . . 14 LEU CA . 26690 1 157 . 1 1 14 14 LEU CB C 13 40.485 0.022 . 1 . . . . 14 LEU CB . 26690 1 158 . 1 1 14 14 LEU CG C 13 27.098 0.000 . 1 . . . . 14 LEU CG . 26690 1 159 . 1 1 14 14 LEU CD1 C 13 25.698 0.000 . 1 . . . . 14 LEU CD1 . 26690 1 160 . 1 1 14 14 LEU CD2 C 13 22.998 0.000 . 1 . . . . 14 LEU CD2 . 26690 1 161 . 1 1 14 14 LEU N N 15 124.564 0.016 . 1 . . . . 14 LEU N . 26690 1 162 . 1 1 15 15 PRO HA H 1 4.403 0.003 . 1 . . . . 15 PRO HA . 26690 1 163 . 1 1 15 15 PRO HB2 H 1 2.264 0.003 . 1 . . . . 15 PRO HB2 . 26690 1 164 . 1 1 15 15 PRO HB3 H 1 1.926 0.004 . 1 . . . . 15 PRO HB3 . 26690 1 165 . 1 1 15 15 PRO HG2 H 1 1.828 0.004 . 1 . . . . 15 PRO HG2 . 26690 1 166 . 1 1 15 15 PRO HG3 H 1 1.687 0.005 . 1 . . . . 15 PRO HG3 . 26690 1 167 . 1 1 15 15 PRO HD2 H 1 3.853 0.003 . 1 . . . . 15 PRO HD2 . 26690 1 168 . 1 1 15 15 PRO HD3 H 1 3.488 0.004 . 1 . . . . 15 PRO HD3 . 26690 1 169 . 1 1 15 15 PRO C C 13 175.263 0.000 . 1 . . . . 15 PRO C . 26690 1 170 . 1 1 15 15 PRO CA C 13 61.777 0.029 . 1 . . . . 15 PRO CA . 26690 1 171 . 1 1 15 15 PRO CB C 13 32.702 0.001 . 1 . . . . 15 PRO CB . 26690 1 172 . 1 1 15 15 PRO CG C 13 27.151 0.066 . 1 . . . . 15 PRO CG . 26690 1 173 . 1 1 15 15 PRO CD C 13 50.998 0.000 . 1 . . . . 15 PRO CD . 26690 1 174 . 1 1 16 16 ARG H H 1 8.386 0.005 . 1 . . . . 16 ARG H . 26690 1 175 . 1 1 16 16 ARG HA H 1 4.054 0.008 . 1 . . . . 16 ARG HA . 26690 1 176 . 1 1 16 16 ARG HB2 H 1 1.820 0.003 . 1 . . . . 16 ARG HB2 . 26690 1 177 . 1 1 16 16 ARG HB3 H 1 1.744 0.000 . 1 . . . . 16 ARG HB3 . 26690 1 178 . 1 1 16 16 ARG HG2 H 1 1.719 0.003 . 1 . . . . 16 ARG HG2 . 26690 1 179 . 1 1 16 16 ARG HG3 H 1 1.623 0.001 . 1 . . . . 16 ARG HG3 . 26690 1 180 . 1 1 16 16 ARG HD2 H 1 3.220 0.001 . 2 . . . . 16 ARG HD# . 26690 1 181 . 1 1 16 16 ARG HD3 H 1 3.220 0.001 . 2 . . . . 16 ARG HD# . 26690 1 182 . 1 1 16 16 ARG C C 13 177.461 0.005 . 1 . . . . 16 ARG C . 26690 1 183 . 1 1 16 16 ARG CA C 13 58.191 0.006 . 1 . . . . 16 ARG CA . 26690 1 184 . 1 1 16 16 ARG CB C 13 29.856 0.020 . 1 . . . . 16 ARG CB . 26690 1 185 . 1 1 16 16 ARG CG C 13 26.977 0.000 . 1 . . . . 16 ARG CG . 26690 1 186 . 1 1 16 16 ARG CD C 13 43.372 0.000 . 1 . . . . 16 ARG CD . 26690 1 187 . 1 1 16 16 ARG N N 15 120.116 0.020 . 1 . . . . 16 ARG N . 26690 1 188 . 1 1 17 17 GLY H H 1 8.779 0.007 . 1 . . . . 17 GLY H . 26690 1 189 . 1 1 17 17 GLY HA2 H 1 4.162 0.000 . 1 . . . . 17 GLY HA2 . 26690 1 190 . 1 1 17 17 GLY HA3 H 1 3.651 0.000 . 1 . . . . 17 GLY HA3 . 26690 1 191 . 1 1 17 17 GLY C C 13 173.417 0.007 . 1 . . . . 17 GLY C . 26690 1 192 . 1 1 17 17 GLY CA C 13 45.058 0.029 . 1 . . . . 17 GLY CA . 26690 1 193 . 1 1 17 17 GLY N N 15 112.385 0.037 . 1 . . . . 17 GLY N . 26690 1 194 . 1 1 18 18 VAL H H 1 7.822 0.005 . 1 . . . . 18 VAL H . 26690 1 195 . 1 1 18 18 VAL HA H 1 5.138 0.005 . 1 . . . . 18 VAL HA . 26690 1 196 . 1 1 18 18 VAL HB H 1 2.179 0.000 . 1 . . . . 18 VAL HB . 26690 1 197 . 1 1 18 18 VAL HG11 H 1 1.006 0.006 . 1 . . . . 18 VAL HG1# . 26690 1 198 . 1 1 18 18 VAL HG12 H 1 1.006 0.006 . 1 . . . . 18 VAL HG1# . 26690 1 199 . 1 1 18 18 VAL HG13 H 1 1.006 0.006 . 1 . . . . 18 VAL HG1# . 26690 1 200 . 1 1 18 18 VAL HG21 H 1 1.114 0.006 . 1 . . . . 18 VAL HG2# . 26690 1 201 . 1 1 18 18 VAL HG22 H 1 1.114 0.006 . 1 . . . . 18 VAL HG2# . 26690 1 202 . 1 1 18 18 VAL HG23 H 1 1.114 0.006 . 1 . . . . 18 VAL HG2# . 26690 1 203 . 1 1 18 18 VAL C C 13 175.488 0.000 . 1 . . . . 18 VAL C . 26690 1 204 . 1 1 18 18 VAL CA C 13 61.532 0.014 . 1 . . . . 18 VAL CA . 26690 1 205 . 1 1 18 18 VAL CB C 13 31.887 0.018 . 1 . . . . 18 VAL CB . 26690 1 206 . 1 1 18 18 VAL CG1 C 13 22.513 0.000 . 1 . . . . 18 VAL CG1 . 26690 1 207 . 1 1 18 18 VAL CG2 C 13 21.596 0.000 . 1 . . . . 18 VAL CG2 . 26690 1 208 . 1 1 18 18 VAL N N 15 122.120 0.011 . 1 . . . . 18 VAL N . 26690 1 209 . 1 1 19 19 ARG H H 1 8.888 0.005 . 1 . . . . 19 ARG H . 26690 1 210 . 1 1 19 19 ARG HA H 1 4.779 0.005 . 1 . . . . 19 ARG HA . 26690 1 211 . 1 1 19 19 ARG HB2 H 1 1.860 0.004 . 1 . . . . 19 ARG HB2 . 26690 1 212 . 1 1 19 19 ARG HB3 H 1 1.761 0.003 . 1 . . . . 19 ARG HB3 . 26690 1 213 . 1 1 19 19 ARG HG2 H 1 1.645 0.006 . 1 . . . . 19 ARG HG2 . 26690 1 214 . 1 1 19 19 ARG HG3 H 1 1.457 0.009 . 1 . . . . 19 ARG HG3 . 26690 1 215 . 1 1 19 19 ARG HD2 H 1 3.187 0.002 . 2 . . . . 19 ARG HD# . 26690 1 216 . 1 1 19 19 ARG HD3 H 1 3.187 0.002 . 2 . . . . 19 ARG HD# . 26690 1 217 . 1 1 19 19 ARG C C 13 173.730 0.000 . 1 . . . . 19 ARG C . 26690 1 218 . 1 1 19 19 ARG CA C 13 54.694 0.011 . 1 . . . . 19 ARG CA . 26690 1 219 . 1 1 19 19 ARG CB C 13 33.608 0.005 . 1 . . . . 19 ARG CB . 26690 1 220 . 1 1 19 19 ARG CG C 13 26.430 0.000 . 1 . . . . 19 ARG CG . 26690 1 221 . 1 1 19 19 ARG CD C 13 43.797 0.000 . 1 . . . . 19 ARG CD . 26690 1 222 . 1 1 19 19 ARG N N 15 123.369 0.023 . 1 . . . . 19 ARG N . 26690 1 223 . 1 1 20 20 LEU H H 1 8.703 0.006 . 1 . . . . 20 LEU H . 26690 1 224 . 1 1 20 20 LEU HA H 1 5.178 0.005 . 1 . . . . 20 LEU HA . 26690 1 225 . 1 1 20 20 LEU HB2 H 1 1.659 0.000 . 1 . . . . 20 LEU HB2 . 26690 1 226 . 1 1 20 20 LEU HB3 H 1 1.507 0.003 . 1 . . . . 20 LEU HB3 . 26690 1 227 . 1 1 20 20 LEU HG H 1 1.578 0.001 . 1 . . . . 20 LEU HG . 26690 1 228 . 1 1 20 20 LEU HD11 H 1 0.799 0.001 . 2 . . . . 20 LEU HD1 . 26690 1 229 . 1 1 20 20 LEU HD12 H 1 0.799 0.001 . 2 . . . . 20 LEU HD1 . 26690 1 230 . 1 1 20 20 LEU HD13 H 1 0.799 0.001 . 2 . . . . 20 LEU HD1 . 26690 1 231 . 1 1 20 20 LEU HD21 H 1 0.799 0.001 . 2 . . . . 20 LEU HD2 . 26690 1 232 . 1 1 20 20 LEU HD22 H 1 0.799 0.001 . 2 . . . . 20 LEU HD2 . 26690 1 233 . 1 1 20 20 LEU HD23 H 1 0.799 0.001 . 2 . . . . 20 LEU HD2 . 26690 1 234 . 1 1 20 20 LEU C C 13 177.018 0.000 . 1 . . . . 20 LEU C . 26690 1 235 . 1 1 20 20 LEU CA C 13 54.497 0.060 . 1 . . . . 20 LEU CA . 26690 1 236 . 1 1 20 20 LEU CB C 13 43.764 0.032 . 1 . . . . 20 LEU CB . 26690 1 237 . 1 1 20 20 LEU CG C 13 27.898 0.000 . 1 . . . . 20 LEU CG . 26690 1 238 . 1 1 20 20 LEU CD1 C 13 25.568 0.000 . 2 . . . . 20 LEU CD# . 26690 1 239 . 1 1 20 20 LEU CD2 C 13 25.568 0.000 . 2 . . . . 20 LEU CD# . 26690 1 240 . 1 1 20 20 LEU N N 15 123.466 0.026 . 1 . . . . 20 LEU N . 26690 1 241 . 1 1 21 21 ARG H H 1 9.234 0.005 . 1 . . . . 21 ARG H . 26690 1 242 . 1 1 21 21 ARG HA H 1 4.768 0.003 . 1 . . . . 21 ARG HA . 26690 1 243 . 1 1 21 21 ARG HB2 H 1 1.773 0.006 . 1 . . . . 21 ARG HB2 . 26690 1 244 . 1 1 21 21 ARG HB3 H 1 1.660 0.004 . 1 . . . . 21 ARG HB3 . 26690 1 245 . 1 1 21 21 ARG HG2 H 1 1.567 0.002 . 1 . . . . 21 ARG HG2 . 26690 1 246 . 1 1 21 21 ARG HG3 H 1 1.462 0.004 . 1 . . . . 21 ARG HG3 . 26690 1 247 . 1 1 21 21 ARG HD2 H 1 3.136 0.000 . 2 . . . . 21 ARG HD# . 26690 1 248 . 1 1 21 21 ARG HD3 H 1 3.136 0.000 . 2 . . . . 21 ARG HD# . 26690 1 249 . 1 1 21 21 ARG C C 13 173.687 0.000 . 1 . . . . 21 ARG C . 26690 1 250 . 1 1 21 21 ARG CA C 13 54.829 0.048 . 1 . . . . 21 ARG CA . 26690 1 251 . 1 1 21 21 ARG CB C 13 34.597 0.041 . 1 . . . . 21 ARG CB . 26690 1 252 . 1 1 21 21 ARG CG C 13 27.159 0.000 . 1 . . . . 21 ARG CG . 26690 1 253 . 1 1 21 21 ARG CD C 13 43.438 0.000 . 1 . . . . 21 ARG CD . 26690 1 254 . 1 1 21 21 ARG N N 15 124.309 0.022 . 1 . . . . 21 ARG N . 26690 1 255 . 1 1 22 22 PHE H H 1 8.908 0.006 . 1 . . . . 22 PHE H . 26690 1 256 . 1 1 22 22 PHE HA H 1 4.518 0.007 . 1 . . . . 22 PHE HA . 26690 1 257 . 1 1 22 22 PHE HB2 H 1 2.854 0.000 . 1 . . . . 22 PHE HB2 . 26690 1 258 . 1 1 22 22 PHE HB3 H 1 2.686 0.000 . 1 . . . . 22 PHE HB3 . 26690 1 259 . 1 1 22 22 PHE HD1 H 1 6.283 0.002 . 3 . . . . 22 PHE HD# . 26690 1 260 . 1 1 22 22 PHE HD2 H 1 6.283 0.002 . 3 . . . . 22 PHE HD# . 26690 1 261 . 1 1 22 22 PHE HE1 H 1 7.013 0.007 . 3 . . . . 22 PHE HE# . 26690 1 262 . 1 1 22 22 PHE HE2 H 1 7.013 0.007 . 3 . . . . 22 PHE HE# . 26690 1 263 . 1 1 22 22 PHE C C 13 173.614 0.000 . 1 . . . . 22 PHE C . 26690 1 264 . 1 1 22 22 PHE CA C 13 57.500 0.009 . 1 . . . . 22 PHE CA . 26690 1 265 . 1 1 22 22 PHE CB C 13 39.824 0.027 . 1 . . . . 22 PHE CB . 26690 1 266 . 1 1 22 22 PHE CD1 C 13 131.126 0.000 . 3 . . . . 22 PHE CD# . 26690 1 267 . 1 1 22 22 PHE CD2 C 13 131.126 0.000 . 3 . . . . 22 PHE CD# . 26690 1 268 . 1 1 22 22 PHE N N 15 124.958 0.021 . 1 . . . . 22 PHE N . 26690 1 269 . 1 1 23 23 ASP H H 1 8.423 0.007 . 1 . . . . 23 ASP H . 26690 1 270 . 1 1 23 23 ASP HA H 1 4.447 0.001 . 1 . . . . 23 ASP HA . 26690 1 271 . 1 1 23 23 ASP HB2 H 1 2.802 0.000 . 1 . . . . 23 ASP HB2 . 26690 1 272 . 1 1 23 23 ASP HB3 H 1 2.232 0.000 . 1 . . . . 23 ASP HB3 . 26690 1 273 . 1 1 23 23 ASP C C 13 175.348 0.006 . 1 . . . . 23 ASP C . 26690 1 274 . 1 1 23 23 ASP CA C 13 52.617 0.034 . 1 . . . . 23 ASP CA . 26690 1 275 . 1 1 23 23 ASP CB C 13 41.764 0.030 . 1 . . . . 23 ASP CB . 26690 1 276 . 1 1 23 23 ASP N N 15 129.331 0.034 . 1 . . . . 23 ASP N . 26690 1 277 . 1 1 24 24 GLU H H 1 8.781 0.011 . 1 . . . . 24 GLU H . 26690 1 278 . 1 1 24 24 GLU HA H 1 3.744 0.002 . 1 . . . . 24 GLU HA . 26690 1 279 . 1 1 24 24 GLU HB2 H 1 2.057 0.000 . 2 . . . . 24 GLU HB# . 26690 1 280 . 1 1 24 24 GLU HB3 H 1 2.057 0.000 . 2 . . . . 24 GLU HB# . 26690 1 281 . 1 1 24 24 GLU HG2 H 1 2.341 0.002 . 2 . . . . 24 GLU HG# . 26690 1 282 . 1 1 24 24 GLU HG3 H 1 2.341 0.002 . 2 . . . . 24 GLU HG# . 26690 1 283 . 1 1 24 24 GLU C C 13 177.442 0.013 . 1 . . . . 24 GLU C . 26690 1 284 . 1 1 24 24 GLU CA C 13 58.280 0.026 . 1 . . . . 24 GLU CA . 26690 1 285 . 1 1 24 24 GLU CB C 13 29.505 0.015 . 1 . . . . 24 GLU CB . 26690 1 286 . 1 1 24 24 GLU CG C 13 35.995 0.000 . 1 . . . . 24 GLU CG . 26690 1 287 . 1 1 24 24 GLU N N 15 125.040 0.027 . 1 . . . . 24 GLU N . 26690 1 288 . 1 1 25 25 VAL H H 1 7.987 0.005 . 1 . . . . 25 VAL H . 26690 1 289 . 1 1 25 25 VAL HA H 1 3.714 0.008 . 1 . . . . 25 VAL HA . 26690 1 290 . 1 1 25 25 VAL HB H 1 2.162 0.000 . 1 . . . . 25 VAL HB . 26690 1 291 . 1 1 25 25 VAL HG11 H 1 0.971 0.003 . 1 . . . . 25 VAL HG1# . 26690 1 292 . 1 1 25 25 VAL HG12 H 1 0.971 0.003 . 1 . . . . 25 VAL HG1# . 26690 1 293 . 1 1 25 25 VAL HG13 H 1 0.971 0.003 . 1 . . . . 25 VAL HG1# . 26690 1 294 . 1 1 25 25 VAL HG21 H 1 0.853 0.001 . 1 . . . . 25 VAL HG2# . 26690 1 295 . 1 1 25 25 VAL HG22 H 1 0.853 0.001 . 1 . . . . 25 VAL HG2# . 26690 1 296 . 1 1 25 25 VAL HG23 H 1 0.853 0.001 . 1 . . . . 25 VAL HG2# . 26690 1 297 . 1 1 25 25 VAL C C 13 177.973 0.000 . 1 . . . . 25 VAL C . 26690 1 298 . 1 1 25 25 VAL CA C 13 65.419 0.019 . 1 . . . . 25 VAL CA . 26690 1 299 . 1 1 25 25 VAL CB C 13 31.541 0.017 . 1 . . . . 25 VAL CB . 26690 1 300 . 1 1 25 25 VAL CG1 C 13 22.332 0.000 . 1 . . . . 25 VAL CG1 . 26690 1 301 . 1 1 25 25 VAL CG2 C 13 21.089 0.000 . 1 . . . . 25 VAL CG2 . 26690 1 302 . 1 1 25 25 VAL N N 15 120.698 0.013 . 1 . . . . 25 VAL N . 26690 1 303 . 1 1 26 26 ARG H H 1 7.427 0.007 . 1 . . . . 26 ARG H . 26690 1 304 . 1 1 26 26 ARG HA H 1 4.076 0.007 . 1 . . . . 26 ARG HA . 26690 1 305 . 1 1 26 26 ARG HB2 H 1 1.744 0.000 . 1 . . . . 26 ARG HB2 . 26690 1 306 . 1 1 26 26 ARG HB3 H 1 1.130 0.006 . 1 . . . . 26 ARG HB3 . 26690 1 307 . 1 1 26 26 ARG HG2 H 1 1.592 0.000 . 1 . . . . 26 ARG HG2 . 26690 1 308 . 1 1 26 26 ARG HG3 H 1 1.432 0.000 . 1 . . . . 26 ARG HG3 . 26690 1 309 . 1 1 26 26 ARG HD2 H 1 3.111 0.002 . 1 . . . . 26 ARG HD2 . 26690 1 310 . 1 1 26 26 ARG HD3 H 1 3.032 0.001 . 1 . . . . 26 ARG HD3 . 26690 1 311 . 1 1 26 26 ARG C C 13 175.807 0.000 . 1 . . . . 26 ARG C . 26690 1 312 . 1 1 26 26 ARG CA C 13 56.449 0.019 . 1 . . . . 26 ARG CA . 26690 1 313 . 1 1 26 26 ARG CB C 13 30.979 0.012 . 1 . . . . 26 ARG CB . 26690 1 314 . 1 1 26 26 ARG CG C 13 28.547 0.000 . 1 . . . . 26 ARG CG . 26690 1 315 . 1 1 26 26 ARG CD C 13 43.372 0.000 . 1 . . . . 26 ARG CD . 26690 1 316 . 1 1 26 26 ARG N N 15 117.049 0.017 . 1 . . . . 26 ARG N . 26690 1 317 . 1 1 27 27 ASN H H 1 8.024 0.006 . 1 . . . . 27 ASN H . 26690 1 318 . 1 1 27 27 ASN HA H 1 4.053 0.000 . 1 . . . . 27 ASN HA . 26690 1 319 . 1 1 27 27 ASN HB2 H 1 3.261 0.000 . 1 . . . . 27 ASN HB2 . 26690 1 320 . 1 1 27 27 ASN HB3 H 1 2.524 0.000 . 1 . . . . 27 ASN HB3 . 26690 1 321 . 1 1 27 27 ASN C C 13 174.006 0.000 . 1 . . . . 27 ASN C . 26690 1 322 . 1 1 27 27 ASN CA C 13 54.162 0.133 . 1 . . . . 27 ASN CA . 26690 1 323 . 1 1 27 27 ASN CB C 13 37.252 0.007 . 1 . . . . 27 ASN CB . 26690 1 324 . 1 1 27 27 ASN N N 15 118.269 0.017 . 1 . . . . 27 ASN N . 26690 1 325 . 1 1 28 28 LYS H H 1 7.036 0.006 . 1 . . . . 28 LYS H . 26690 1 326 . 1 1 28 28 LYS HA H 1 4.695 0.004 . 1 . . . . 28 LYS HA . 26690 1 327 . 1 1 28 28 LYS HB2 H 1 1.879 0.000 . 1 . . . . 28 LYS HB2 . 26690 1 328 . 1 1 28 28 LYS HB3 H 1 1.378 0.000 . 1 . . . . 28 LYS HB3 . 26690 1 329 . 1 1 28 28 LYS HG2 H 1 1.294 0.000 . 1 . . . . 28 LYS HG2 . 26690 1 330 . 1 1 28 28 LYS HG3 H 1 1.250 0.000 . 1 . . . . 28 LYS HG3 . 26690 1 331 . 1 1 28 28 LYS HD2 H 1 1.660 0.000 . 1 . . . . 28 LYS HD2 . 26690 1 332 . 1 1 28 28 LYS HD3 H 1 1.618 0.000 . 1 . . . . 28 LYS HD3 . 26690 1 333 . 1 1 28 28 LYS HE2 H 1 2.937 0.003 . 2 . . . . 28 LYS HE# . 26690 1 334 . 1 1 28 28 LYS HE3 H 1 2.937 0.003 . 2 . . . . 28 LYS HE# . 26690 1 335 . 1 1 28 28 LYS C C 13 174.562 0.000 . 1 . . . . 28 LYS C . 26690 1 336 . 1 1 28 28 LYS CA C 13 54.332 0.006 . 1 . . . . 28 LYS CA . 26690 1 337 . 1 1 28 28 LYS CB C 13 36.931 0.029 . 1 . . . . 28 LYS CB . 26690 1 338 . 1 1 28 28 LYS CG C 13 23.756 0.000 . 1 . . . . 28 LYS CG . 26690 1 339 . 1 1 28 28 LYS CD C 13 28.919 0.112 . 1 . . . . 28 LYS CD . 26690 1 340 . 1 1 28 28 LYS CE C 13 42.147 0.051 . 1 . . . . 28 LYS CE . 26690 1 341 . 1 1 28 28 LYS N N 15 115.210 0.011 . 1 . . . . 28 LYS N . 26690 1 342 . 1 1 29 29 HIS H H 1 9.170 0.008 . 1 . . . . 29 HIS H . 26690 1 343 . 1 1 29 29 HIS HA H 1 5.123 0.004 . 1 . . . . 29 HIS HA . 26690 1 344 . 1 1 29 29 HIS HB2 H 1 3.051 0.000 . 1 . . . . 29 HIS HB2 . 26690 1 345 . 1 1 29 29 HIS HB3 H 1 2.895 0.000 . 1 . . . . 29 HIS HB3 . 26690 1 346 . 1 1 29 29 HIS HD2 H 1 6.935 0.008 . 1 . . . . 29 HIS HD2 . 26690 1 347 . 1 1 29 29 HIS C C 13 174.360 0.000 . 1 . . . . 29 HIS C . 26690 1 348 . 1 1 29 29 HIS CA C 13 57.819 0.029 . 1 . . . . 29 HIS CA . 26690 1 349 . 1 1 29 29 HIS CB C 13 32.436 0.022 . 1 . . . . 29 HIS CB . 26690 1 350 . 1 1 29 29 HIS CD2 C 13 122.521 0.000 . 1 . . . . 29 HIS CD2 . 26690 1 351 . 1 1 29 29 HIS N N 15 120.944 0.008 . 1 . . . . 29 HIS N . 26690 1 352 . 1 1 30 30 VAL H H 1 8.944 0.006 . 1 . . . . 30 VAL H . 26690 1 353 . 1 1 30 30 VAL HA H 1 5.323 0.006 . 1 . . . . 30 VAL HA . 26690 1 354 . 1 1 30 30 VAL HB H 1 2.016 0.001 . 1 . . . . 30 VAL HB . 26690 1 355 . 1 1 30 30 VAL HG11 H 1 0.891 0.006 . 1 . . . . 30 VAL HG1# . 26690 1 356 . 1 1 30 30 VAL HG12 H 1 0.891 0.006 . 1 . . . . 30 VAL HG1# . 26690 1 357 . 1 1 30 30 VAL HG13 H 1 0.891 0.006 . 1 . . . . 30 VAL HG1# . 26690 1 358 . 1 1 30 30 VAL HG21 H 1 0.834 0.002 . 1 . . . . 30 VAL HG2# . 26690 1 359 . 1 1 30 30 VAL HG22 H 1 0.834 0.002 . 1 . . . . 30 VAL HG2# . 26690 1 360 . 1 1 30 30 VAL HG23 H 1 0.834 0.002 . 1 . . . . 30 VAL HG2# . 26690 1 361 . 1 1 30 30 VAL C C 13 174.440 0.000 . 1 . . . . 30 VAL C . 26690 1 362 . 1 1 30 30 VAL CA C 13 58.820 0.031 . 1 . . . . 30 VAL CA . 26690 1 363 . 1 1 30 30 VAL CB C 13 36.135 0.012 . 1 . . . . 30 VAL CB . 26690 1 364 . 1 1 30 30 VAL CG1 C 13 21.882 0.000 . 1 . . . . 30 VAL CG1 . 26690 1 365 . 1 1 30 30 VAL CG2 C 13 19.231 0.000 . 1 . . . . 30 VAL CG2 . 26690 1 366 . 1 1 30 30 VAL N N 15 113.586 0.014 . 1 . . . . 30 VAL N . 26690 1 367 . 1 1 31 31 LEU H H 1 9.046 0.005 . 1 . . . . 31 LEU H . 26690 1 368 . 1 1 31 31 LEU HA H 1 5.042 0.007 . 1 . . . . 31 LEU HA . 26690 1 369 . 1 1 31 31 LEU HB2 H 1 2.077 0.002 . 1 . . . . 31 LEU HB2 . 26690 1 370 . 1 1 31 31 LEU HB3 H 1 1.243 0.013 . 1 . . . . 31 LEU HB3 . 26690 1 371 . 1 1 31 31 LEU HG H 1 1.402 0.000 . 1 . . . . 31 LEU HG . 26690 1 372 . 1 1 31 31 LEU HD11 H 1 0.790 0.000 . 1 . . . . 31 LEU HD1# . 26690 1 373 . 1 1 31 31 LEU HD12 H 1 0.790 0.000 . 1 . . . . 31 LEU HD1# . 26690 1 374 . 1 1 31 31 LEU HD13 H 1 0.790 0.000 . 1 . . . . 31 LEU HD1# . 26690 1 375 . 1 1 31 31 LEU HD21 H 1 0.570 0.000 . 1 . . . . 31 LEU HD2# . 26690 1 376 . 1 1 31 31 LEU HD22 H 1 0.570 0.000 . 1 . . . . 31 LEU HD2# . 26690 1 377 . 1 1 31 31 LEU HD23 H 1 0.570 0.000 . 1 . . . . 31 LEU HD2# . 26690 1 378 . 1 1 31 31 LEU C C 13 174.763 0.000 . 1 . . . . 31 LEU C . 26690 1 379 . 1 1 31 31 LEU CA C 13 53.655 0.072 . 1 . . . . 31 LEU CA . 26690 1 380 . 1 1 31 31 LEU CB C 13 45.333 0.008 . 1 . . . . 31 LEU CB . 26690 1 381 . 1 1 31 31 LEU CG C 13 27.258 0.000 . 1 . . . . 31 LEU CG . 26690 1 382 . 1 1 31 31 LEU CD1 C 13 24.298 0.000 . 1 . . . . 31 LEU CD1 . 26690 1 383 . 1 1 31 31 LEU CD2 C 13 25.898 0.000 . 1 . . . . 31 LEU CD2 . 26690 1 384 . 1 1 31 31 LEU N N 15 122.944 0.017 . 1 . . . . 31 LEU N . 26690 1 385 . 1 1 32 32 LEU H H 1 9.308 0.006 . 1 . . . . 32 LEU H . 26690 1 386 . 1 1 32 32 LEU HA H 1 4.844 0.007 . 1 . . . . 32 LEU HA . 26690 1 387 . 1 1 32 32 LEU HB2 H 1 1.662 0.002 . 2 . . . . 32 LEU HB# . 26690 1 388 . 1 1 32 32 LEU HB3 H 1 1.662 0.002 . 2 . . . . 32 LEU HB# . 26690 1 389 . 1 1 32 32 LEU HG H 1 1.604 0.002 . 1 . . . . 32 LEU HG . 26690 1 390 . 1 1 32 32 LEU HD11 H 1 0.884 0.006 . 2 . . . . 32 LEU HD1 . 26690 1 391 . 1 1 32 32 LEU HD12 H 1 0.884 0.006 . 2 . . . . 32 LEU HD1 . 26690 1 392 . 1 1 32 32 LEU HD13 H 1 0.884 0.006 . 2 . . . . 32 LEU HD1 . 26690 1 393 . 1 1 32 32 LEU HD21 H 1 0.884 0.006 . 2 . . . . 32 LEU HD2 . 26690 1 394 . 1 1 32 32 LEU HD22 H 1 0.884 0.006 . 2 . . . . 32 LEU HD2 . 26690 1 395 . 1 1 32 32 LEU HD23 H 1 0.884 0.006 . 2 . . . . 32 LEU HD2 . 26690 1 396 . 1 1 32 32 LEU C C 13 174.205 0.000 . 1 . . . . 32 LEU C . 26690 1 397 . 1 1 32 32 LEU CA C 13 54.578 0.055 . 1 . . . . 32 LEU CA . 26690 1 398 . 1 1 32 32 LEU CB C 13 43.994 0.035 . 1 . . . . 32 LEU CB . 26690 1 399 . 1 1 32 32 LEU CG C 13 27.064 0.065 . 1 . . . . 32 LEU CG . 26690 1 400 . 1 1 32 32 LEU CD1 C 13 25.739 0.041 . 2 . . . . 32 LEU CD# . 26690 1 401 . 1 1 32 32 LEU CD2 C 13 25.739 0.041 . 2 . . . . 32 LEU CD# . 26690 1 402 . 1 1 32 32 LEU N N 15 128.157 0.028 . 1 . . . . 32 LEU N . 26690 1 403 . 1 1 33 33 ALA H H 1 8.401 0.005 . 1 . . . . 33 ALA H . 26690 1 404 . 1 1 33 33 ALA HA H 1 5.139 0.006 . 1 . . . . 33 ALA HA . 26690 1 405 . 1 1 33 33 ALA HB1 H 1 1.620 0.000 . 1 . . . . 33 ALA HB# . 26690 1 406 . 1 1 33 33 ALA HB2 H 1 1.620 0.000 . 1 . . . . 33 ALA HB# . 26690 1 407 . 1 1 33 33 ALA HB3 H 1 1.620 0.000 . 1 . . . . 33 ALA HB# . 26690 1 408 . 1 1 33 33 ALA C C 13 175.274 0.000 . 1 . . . . 33 ALA C . 26690 1 409 . 1 1 33 33 ALA CA C 13 49.406 0.008 . 1 . . . . 33 ALA CA . 26690 1 410 . 1 1 33 33 ALA CB C 13 21.543 0.000 . 1 . . . . 33 ALA CB . 26690 1 411 . 1 1 33 33 ALA N N 15 125.660 0.036 . 1 . . . . 33 ALA N . 26690 1 412 . 1 1 34 34 PRO HA H 1 4.273 0.002 . 1 . . . . 34 PRO HA . 26690 1 413 . 1 1 34 34 PRO HB2 H 1 2.401 0.000 . 1 . . . . 34 PRO HB2 . 26690 1 414 . 1 1 34 34 PRO HB3 H 1 1.929 0.000 . 1 . . . . 34 PRO HB3 . 26690 1 415 . 1 1 34 34 PRO HG2 H 1 2.241 0.000 . 1 . . . . 34 PRO HG2 . 26690 1 416 . 1 1 34 34 PRO HG3 H 1 2.013 0.000 . 1 . . . . 34 PRO HG3 . 26690 1 417 . 1 1 34 34 PRO HD2 H 1 3.668 0.004 . 2 . . . . 34 PRO HD# . 26690 1 418 . 1 1 34 34 PRO HD3 H 1 3.668 0.004 . 2 . . . . 34 PRO HD# . 26690 1 419 . 1 1 34 34 PRO C C 13 177.990 0.000 . 1 . . . . 34 PRO C . 26690 1 420 . 1 1 34 34 PRO CA C 13 66.109 0.012 . 1 . . . . 34 PRO CA . 26690 1 421 . 1 1 34 34 PRO CB C 13 31.704 0.007 . 1 . . . . 34 PRO CB . 26690 1 422 . 1 1 34 34 PRO CG C 13 28.198 0.000 . 1 . . . . 34 PRO CG . 26690 1 423 . 1 1 34 34 PRO CD C 13 50.198 0.000 . 1 . . . . 34 PRO CD . 26690 1 424 . 1 1 35 35 GLU H H 1 8.510 0.004 . 1 . . . . 35 GLU H . 26690 1 425 . 1 1 35 35 GLU HA H 1 4.361 0.004 . 1 . . . . 35 GLU HA . 26690 1 426 . 1 1 35 35 GLU HB2 H 1 1.990 0.001 . 2 . . . . 35 GLU HB# . 26690 1 427 . 1 1 35 35 GLU HB3 H 1 1.990 0.001 . 2 . . . . 35 GLU HB# . 26690 1 428 . 1 1 35 35 GLU HG2 H 1 2.213 0.002 . 2 . . . . 35 GLU HG# . 26690 1 429 . 1 1 35 35 GLU HG3 H 1 2.213 0.002 . 2 . . . . 35 GLU HG# . 26690 1 430 . 1 1 35 35 GLU C C 13 175.851 0.006 . 1 . . . . 35 GLU C . 26690 1 431 . 1 1 35 35 GLU CA C 13 56.560 0.033 . 1 . . . . 35 GLU CA . 26690 1 432 . 1 1 35 35 GLU CB C 13 30.749 0.048 . 1 . . . . 35 GLU CB . 26690 1 433 . 1 1 35 35 GLU CG C 13 36.805 0.000 . 1 . . . . 35 GLU CG . 26690 1 434 . 1 1 35 35 GLU N N 15 112.440 0.031 . 1 . . . . 35 GLU N . 26690 1 435 . 1 1 36 36 ARG H H 1 7.283 0.005 . 1 . . . . 36 ARG H . 26690 1 436 . 1 1 36 36 ARG HA H 1 4.747 0.010 . 1 . . . . 36 ARG HA . 26690 1 437 . 1 1 36 36 ARG HB2 H 1 1.620 0.001 . 1 . . . . 36 ARG HB2 . 26690 1 438 . 1 1 36 36 ARG HB3 H 1 1.382 0.005 . 1 . . . . 36 ARG HB3 . 26690 1 439 . 1 1 36 36 ARG HG2 H 1 1.361 0.000 . 2 . . . . 36 ARG HG# . 26690 1 440 . 1 1 36 36 ARG HG3 H 1 1.361 0.000 . 2 . . . . 36 ARG HG# . 26690 1 441 . 1 1 36 36 ARG HD2 H 1 3.142 0.003 . 2 . . . . 36 ARG HD# . 26690 1 442 . 1 1 36 36 ARG HD3 H 1 3.142 0.003 . 2 . . . . 36 ARG HD# . 26690 1 443 . 1 1 36 36 ARG C C 13 173.507 0.000 . 1 . . . . 36 ARG C . 26690 1 444 . 1 1 36 36 ARG CA C 13 55.200 0.012 . 1 . . . . 36 ARG CA . 26690 1 445 . 1 1 36 36 ARG CB C 13 35.543 0.031 . 1 . . . . 36 ARG CB . 26690 1 446 . 1 1 36 36 ARG CG C 13 27.285 0.000 . 1 . . . . 36 ARG CG . 26690 1 447 . 1 1 36 36 ARG CD C 13 43.898 0.000 . 1 . . . . 36 ARG CD . 26690 1 448 . 1 1 36 36 ARG N N 15 116.431 0.016 . 1 . . . . 36 ARG N . 26690 1 449 . 1 1 37 37 THR H H 1 8.181 0.006 . 1 . . . . 37 THR H . 26690 1 450 . 1 1 37 37 THR HA H 1 5.138 0.004 . 1 . . . . 37 THR HA . 26690 1 451 . 1 1 37 37 THR HB H 1 3.740 0.001 . 1 . . . . 37 THR HB . 26690 1 452 . 1 1 37 37 THR HG21 H 1 1.151 0.003 . 1 . . . . 37 THR HG2# . 26690 1 453 . 1 1 37 37 THR HG22 H 1 1.151 0.003 . 1 . . . . 37 THR HG2# . 26690 1 454 . 1 1 37 37 THR HG23 H 1 1.151 0.003 . 1 . . . . 37 THR HG2# . 26690 1 455 . 1 1 37 37 THR C C 13 172.642 0.000 . 1 . . . . 37 THR C . 26690 1 456 . 1 1 37 37 THR CA C 13 61.529 0.003 . 1 . . . . 37 THR CA . 26690 1 457 . 1 1 37 37 THR CB C 13 71.850 0.002 . 1 . . . . 37 THR CB . 26690 1 458 . 1 1 37 37 THR CG2 C 13 22.361 0.000 . 1 . . . . 37 THR CG2 . 26690 1 459 . 1 1 37 37 THR N N 15 114.779 0.021 . 1 . . . . 37 THR N . 26690 1 460 . 1 1 38 38 PHE H H 1 9.061 0.004 . 1 . . . . 38 PHE H . 26690 1 461 . 1 1 38 38 PHE HA H 1 5.169 0.004 . 1 . . . . 38 PHE HA . 26690 1 462 . 1 1 38 38 PHE HB2 H 1 2.863 0.006 . 1 . . . . 38 PHE HB2 . 26690 1 463 . 1 1 38 38 PHE HB3 H 1 2.796 0.003 . 1 . . . . 38 PHE HB3 . 26690 1 464 . 1 1 38 38 PHE HD1 H 1 7.023 0.004 . 3 . . . . 38 PHE HD# . 26690 1 465 . 1 1 38 38 PHE HD2 H 1 7.023 0.004 . 3 . . . . 38 PHE HD# . 26690 1 466 . 1 1 38 38 PHE HE1 H 1 7.066 0.004 . 3 . . . . 38 PHE HE# . 26690 1 467 . 1 1 38 38 PHE HE2 H 1 7.066 0.004 . 3 . . . . 38 PHE HE# . 26690 1 468 . 1 1 38 38 PHE C C 13 175.299 0.025 . 1 . . . . 38 PHE C . 26690 1 469 . 1 1 38 38 PHE CA C 13 56.209 0.005 . 1 . . . . 38 PHE CA . 26690 1 470 . 1 1 38 38 PHE CB C 13 41.719 0.070 . 1 . . . . 38 PHE CB . 26690 1 471 . 1 1 38 38 PHE CD1 C 13 130.947 0.000 . 3 . . . . 38 PHE CD# . 26690 1 472 . 1 1 38 38 PHE CD2 C 13 130.947 0.000 . 3 . . . . 38 PHE CD# . 26690 1 473 . 1 1 38 38 PHE N N 15 121.625 0.042 . 1 . . . . 38 PHE N . 26690 1 474 . 1 1 39 39 ASP H H 1 9.195 0.005 . 1 . . . . 39 ASP H . 26690 1 475 . 1 1 39 39 ASP HA H 1 5.095 0.009 . 1 . . . . 39 ASP HA . 26690 1 476 . 1 1 39 39 ASP HB2 H 1 2.583 0.005 . 2 . . . . 39 ASP HB# . 26690 1 477 . 1 1 39 39 ASP HB3 H 1 2.583 0.005 . 2 . . . . 39 ASP HB# . 26690 1 478 . 1 1 39 39 ASP C C 13 175.789 0.000 . 1 . . . . 39 ASP C . 26690 1 479 . 1 1 39 39 ASP CA C 13 54.496 0.048 . 1 . . . . 39 ASP CA . 26690 1 480 . 1 1 39 39 ASP CB C 13 42.443 0.014 . 1 . . . . 39 ASP CB . 26690 1 481 . 1 1 39 39 ASP N N 15 123.847 0.028 . 1 . . . . 39 ASP N . 26690 1 482 . 1 1 40 40 LEU H H 1 8.082 0.004 . 1 . . . . 40 LEU H . 26690 1 483 . 1 1 40 40 LEU HA H 1 5.012 0.009 . 1 . . . . 40 LEU HA . 26690 1 484 . 1 1 40 40 LEU HB2 H 1 1.483 0.000 . 1 . . . . 40 LEU HB2 . 26690 1 485 . 1 1 40 40 LEU HB3 H 1 1.714 0.006 . 1 . . . . 40 LEU HB3 . 26690 1 486 . 1 1 40 40 LEU HG H 1 1.777 0.004 . 1 . . . . 40 LEU HG . 26690 1 487 . 1 1 40 40 LEU HD11 H 1 0.683 0.000 . 1 . . . . 40 LEU HD1# . 26690 1 488 . 1 1 40 40 LEU HD12 H 1 0.683 0.000 . 1 . . . . 40 LEU HD1# . 26690 1 489 . 1 1 40 40 LEU HD13 H 1 0.683 0.000 . 1 . . . . 40 LEU HD1# . 26690 1 490 . 1 1 40 40 LEU HD21 H 1 0.754 0.008 . 1 . . . . 40 LEU HD2# . 26690 1 491 . 1 1 40 40 LEU HD22 H 1 0.754 0.008 . 1 . . . . 40 LEU HD2# . 26690 1 492 . 1 1 40 40 LEU HD23 H 1 0.754 0.008 . 1 . . . . 40 LEU HD2# . 26690 1 493 . 1 1 40 40 LEU C C 13 176.509 0.000 . 1 . . . . 40 LEU C . 26690 1 494 . 1 1 40 40 LEU CA C 13 53.328 0.036 . 1 . . . . 40 LEU CA . 26690 1 495 . 1 1 40 40 LEU CB C 13 46.326 0.029 . 1 . . . . 40 LEU CB . 26690 1 496 . 1 1 40 40 LEU CG C 13 26.798 0.000 . 1 . . . . 40 LEU CG . 26690 1 497 . 1 1 40 40 LEU CD1 C 13 28.075 0.023 . 1 . . . . 40 LEU CD1 . 26690 1 498 . 1 1 40 40 LEU CD2 C 13 24.198 0.000 . 1 . . . . 40 LEU CD2 . 26690 1 499 . 1 1 40 40 LEU N N 15 120.538 0.066 . 1 . . . . 40 LEU N . 26690 1 500 . 1 1 41 41 ASP H H 1 7.847 0.006 . 1 . . . . 41 ASP H . 26690 1 501 . 1 1 41 41 ASP HA H 1 4.952 0.009 . 1 . . . . 41 ASP HA . 26690 1 502 . 1 1 41 41 ASP HB2 H 1 2.749 0.000 . 1 . . . . 41 ASP HB2 . 26690 1 503 . 1 1 41 41 ASP HB3 H 1 3.307 0.000 . 1 . . . . 41 ASP HB3 . 26690 1 504 . 1 1 41 41 ASP C C 13 175.375 0.000 . 1 . . . . 41 ASP C . 26690 1 505 . 1 1 41 41 ASP CA C 13 52.005 0.026 . 1 . . . . 41 ASP CA . 26690 1 506 . 1 1 41 41 ASP CB C 13 41.163 0.009 . 1 . . . . 41 ASP CB . 26690 1 507 . 1 1 41 41 ASP N N 15 121.390 0.033 . 1 . . . . 41 ASP N . 26690 1 508 . 1 1 42 42 ASP H H 1 8.309 0.003 . 1 . . . . 42 ASP H . 26690 1 509 . 1 1 42 42 ASP HA H 1 4.237 0.005 . 1 . . . . 42 ASP HA . 26690 1 510 . 1 1 42 42 ASP HB2 H 1 2.542 0.001 . 1 . . . . 42 ASP HB2 . 26690 1 511 . 1 1 42 42 ASP HB3 H 1 2.638 0.004 . 1 . . . . 42 ASP HB3 . 26690 1 512 . 1 1 42 42 ASP C C 13 179.113 0.000 . 1 . . . . 42 ASP C . 26690 1 513 . 1 1 42 42 ASP CA C 13 57.948 0.016 . 1 . . . . 42 ASP CA . 26690 1 514 . 1 1 42 42 ASP CB C 13 40.396 0.014 . 1 . . . . 42 ASP CB . 26690 1 515 . 1 1 42 42 ASP N N 15 116.891 0.016 . 1 . . . . 42 ASP N . 26690 1 516 . 1 1 43 43 ASN H H 1 7.691 0.005 . 1 . . . . 43 ASN H . 26690 1 517 . 1 1 43 43 ASN HA H 1 4.616 0.005 . 1 . . . . 43 ASN HA . 26690 1 518 . 1 1 43 43 ASN HB2 H 1 2.055 0.003 . 1 . . . . 43 ASN HB2 . 26690 1 519 . 1 1 43 43 ASN HB3 H 1 2.391 0.001 . 1 . . . . 43 ASN HB3 . 26690 1 520 . 1 1 43 43 ASN C C 13 176.099 0.000 . 1 . . . . 43 ASN C . 26690 1 521 . 1 1 43 43 ASN CA C 13 55.683 0.031 . 1 . . . . 43 ASN CA . 26690 1 522 . 1 1 43 43 ASN CB C 13 36.555 0.029 . 1 . . . . 43 ASN CB . 26690 1 523 . 1 1 43 43 ASN N N 15 118.424 0.020 . 1 . . . . 43 ASN N . 26690 1 524 . 1 1 44 44 ALA H H 1 8.539 0.007 . 1 . . . . 44 ALA H . 26690 1 525 . 1 1 44 44 ALA HA H 1 3.784 0.008 . 1 . . . . 44 ALA HA . 26690 1 526 . 1 1 44 44 ALA HB1 H 1 1.459 0.000 . 1 . . . . 44 ALA HB# . 26690 1 527 . 1 1 44 44 ALA HB2 H 1 1.459 0.000 . 1 . . . . 44 ALA HB# . 26690 1 528 . 1 1 44 44 ALA HB3 H 1 1.459 0.000 . 1 . . . . 44 ALA HB# . 26690 1 529 . 1 1 44 44 ALA C C 13 179.926 0.000 . 1 . . . . 44 ALA C . 26690 1 530 . 1 1 44 44 ALA CA C 13 55.774 0.024 . 1 . . . . 44 ALA CA . 26690 1 531 . 1 1 44 44 ALA CB C 13 19.829 0.007 . 1 . . . . 44 ALA CB . 26690 1 532 . 1 1 44 44 ALA N N 15 122.727 0.015 . 1 . . . . 44 ALA N . 26690 1 533 . 1 1 45 45 VAL H H 1 8.284 0.004 . 1 . . . . 45 VAL H . 26690 1 534 . 1 1 45 45 VAL HA H 1 3.264 0.002 . 1 . . . . 45 VAL HA . 26690 1 535 . 1 1 45 45 VAL HB H 1 1.958 0.000 . 1 . . . . 45 VAL HB . 26690 1 536 . 1 1 45 45 VAL HG11 H 1 0.829 0.000 . 1 . . . . 45 VAL HG1# . 26690 1 537 . 1 1 45 45 VAL HG12 H 1 0.829 0.000 . 1 . . . . 45 VAL HG1# . 26690 1 538 . 1 1 45 45 VAL HG13 H 1 0.829 0.000 . 1 . . . . 45 VAL HG1# . 26690 1 539 . 1 1 45 45 VAL HG21 H 1 0.464 0.000 . 1 . . . . 45 VAL HG2# . 26690 1 540 . 1 1 45 45 VAL HG22 H 1 0.464 0.000 . 1 . . . . 45 VAL HG2# . 26690 1 541 . 1 1 45 45 VAL HG23 H 1 0.464 0.000 . 1 . . . . 45 VAL HG2# . 26690 1 542 . 1 1 45 45 VAL C C 13 176.220 0.000 . 1 . . . . 45 VAL C . 26690 1 543 . 1 1 45 45 VAL CA C 13 67.062 0.005 . 1 . . . . 45 VAL CA . 26690 1 544 . 1 1 45 45 VAL CB C 13 31.612 0.055 . 1 . . . . 45 VAL CB . 26690 1 545 . 1 1 45 45 VAL CG1 C 13 24.989 0.000 . 1 . . . . 45 VAL CG1 . 26690 1 546 . 1 1 45 45 VAL CG2 C 13 20.735 0.000 . 1 . . . . 45 VAL CG2 . 26690 1 547 . 1 1 45 45 VAL N N 15 117.920 0.016 . 1 . . . . 45 VAL N . 26690 1 548 . 1 1 46 46 ALA H H 1 7.513 0.005 . 1 . . . . 46 ALA H . 26690 1 549 . 1 1 46 46 ALA HA H 1 3.962 0.010 . 1 . . . . 46 ALA HA . 26690 1 550 . 1 1 46 46 ALA HB1 H 1 1.777 0.000 . 1 . . . . 46 ALA HB# . 26690 1 551 . 1 1 46 46 ALA HB2 H 1 1.777 0.000 . 1 . . . . 46 ALA HB# . 26690 1 552 . 1 1 46 46 ALA HB3 H 1 1.777 0.000 . 1 . . . . 46 ALA HB# . 26690 1 553 . 1 1 46 46 ALA C C 13 179.857 0.000 . 1 . . . . 46 ALA C . 26690 1 554 . 1 1 46 46 ALA CA C 13 55.218 0.015 . 1 . . . . 46 ALA CA . 26690 1 555 . 1 1 46 46 ALA CB C 13 18.644 0.013 . 1 . . . . 46 ALA CB . 26690 1 556 . 1 1 46 46 ALA N N 15 120.708 0.021 . 1 . . . . 46 ALA N . 26690 1 557 . 1 1 47 47 VAL H H 1 7.310 0.005 . 1 . . . . 47 VAL H . 26690 1 558 . 1 1 47 47 VAL HA H 1 3.538 0.004 . 1 . . . . 47 VAL HA . 26690 1 559 . 1 1 47 47 VAL HB H 1 2.194 0.000 . 1 . . . . 47 VAL HB . 26690 1 560 . 1 1 47 47 VAL HG11 H 1 1.297 0.012 . 1 . . . . 47 VAL HG1# . 26690 1 561 . 1 1 47 47 VAL HG12 H 1 1.297 0.012 . 1 . . . . 47 VAL HG1# . 26690 1 562 . 1 1 47 47 VAL HG13 H 1 1.297 0.012 . 1 . . . . 47 VAL HG1# . 26690 1 563 . 1 1 47 47 VAL HG21 H 1 0.835 0.000 . 1 . . . . 47 VAL HG2# . 26690 1 564 . 1 1 47 47 VAL HG22 H 1 0.835 0.000 . 1 . . . . 47 VAL HG2# . 26690 1 565 . 1 1 47 47 VAL HG23 H 1 0.835 0.000 . 1 . . . . 47 VAL HG2# . 26690 1 566 . 1 1 47 47 VAL C C 13 177.820 0.000 . 1 . . . . 47 VAL C . 26690 1 567 . 1 1 47 47 VAL CA C 13 65.815 0.010 . 1 . . . . 47 VAL CA . 26690 1 568 . 1 1 47 47 VAL CB C 13 32.823 0.079 . 1 . . . . 47 VAL CB . 26690 1 569 . 1 1 47 47 VAL CG1 C 13 23.369 0.000 . 1 . . . . 47 VAL CG1 . 26690 1 570 . 1 1 47 47 VAL CG2 C 13 21.339 0.000 . 1 . . . . 47 VAL CG2 . 26690 1 571 . 1 1 47 47 VAL N N 15 112.906 0.014 . 1 . . . . 47 VAL N . 26690 1 572 . 1 1 48 48 LEU H H 1 7.950 0.005 . 1 . . . . 48 LEU H . 26690 1 573 . 1 1 48 48 LEU HA H 1 3.920 0.009 . 1 . . . . 48 LEU HA . 26690 1 574 . 1 1 48 48 LEU HB2 H 1 1.792 0.005 . 1 . . . . 48 LEU HB2 . 26690 1 575 . 1 1 48 48 LEU HB3 H 1 1.322 0.000 . 1 . . . . 48 LEU HB3 . 26690 1 576 . 1 1 48 48 LEU HG H 1 1.647 0.002 . 1 . . . . 48 LEU HG . 26690 1 577 . 1 1 48 48 LEU HD11 H 1 0.745 0.000 . 1 . . . . 48 LEU HD1# . 26690 1 578 . 1 1 48 48 LEU HD12 H 1 0.745 0.000 . 1 . . . . 48 LEU HD1# . 26690 1 579 . 1 1 48 48 LEU HD13 H 1 0.745 0.000 . 1 . . . . 48 LEU HD1# . 26690 1 580 . 1 1 48 48 LEU HD21 H 1 0.650 0.005 . 1 . . . . 48 LEU HD2# . 26690 1 581 . 1 1 48 48 LEU HD22 H 1 0.650 0.005 . 1 . . . . 48 LEU HD2# . 26690 1 582 . 1 1 48 48 LEU HD23 H 1 0.650 0.005 . 1 . . . . 48 LEU HD2# . 26690 1 583 . 1 1 48 48 LEU C C 13 179.841 0.000 . 1 . . . . 48 LEU C . 26690 1 584 . 1 1 48 48 LEU CA C 13 57.800 0.008 . 1 . . . . 48 LEU CA . 26690 1 585 . 1 1 48 48 LEU CB C 13 41.937 0.027 . 1 . . . . 48 LEU CB . 26690 1 586 . 1 1 48 48 LEU CG C 13 27.625 0.000 . 1 . . . . 48 LEU CG . 26690 1 587 . 1 1 48 48 LEU CD1 C 13 27.332 0.000 . 1 . . . . 48 LEU CD1 . 26690 1 588 . 1 1 48 48 LEU CD2 C 13 22.342 0.000 . 1 . . . . 48 LEU CD2 . 26690 1 589 . 1 1 48 48 LEU N N 15 116.460 0.010 . 1 . . . . 48 LEU N . 26690 1 590 . 1 1 49 49 LYS H H 1 8.650 0.005 . 1 . . . . 49 LYS H . 26690 1 591 . 1 1 49 49 LYS HA H 1 3.893 0.003 . 1 . . . . 49 LYS HA . 26690 1 592 . 1 1 49 49 LYS HB2 H 1 1.763 0.000 . 2 . . . . 49 LYS HB# . 26690 1 593 . 1 1 49 49 LYS HB3 H 1 1.763 0.000 . 2 . . . . 49 LYS HB# . 26690 1 594 . 1 1 49 49 LYS HG2 H 1 1.560 0.010 . 1 . . . . 49 LYS HG2 . 26690 1 595 . 1 1 49 49 LYS HG3 H 1 1.314 0.000 . 1 . . . . 49 LYS HG3 . 26690 1 596 . 1 1 49 49 LYS HD2 H 1 1.531 0.000 . 2 . . . . 49 LYS HD# . 26690 1 597 . 1 1 49 49 LYS HD3 H 1 1.531 0.000 . 2 . . . . 49 LYS HD# . 26690 1 598 . 1 1 49 49 LYS HE2 H 1 2.771 0.007 . 1 . . . . 49 LYS HE2 . 26690 1 599 . 1 1 49 49 LYS HE3 H 1 2.691 0.010 . 1 . . . . 49 LYS HE3 . 26690 1 600 . 1 1 49 49 LYS C C 13 177.378 0.000 . 1 . . . . 49 LYS C . 26690 1 601 . 1 1 49 49 LYS CA C 13 59.375 0.025 . 1 . . . . 49 LYS CA . 26690 1 602 . 1 1 49 49 LYS CB C 13 33.075 0.018 . 1 . . . . 49 LYS CB . 26690 1 603 . 1 1 49 49 LYS CG C 13 26.610 0.000 . 1 . . . . 49 LYS CG . 26690 1 604 . 1 1 49 49 LYS CD C 13 29.798 0.000 . 1 . . . . 49 LYS CD . 26690 1 605 . 1 1 49 49 LYS CE C 13 41.698 0.000 . 1 . . . . 49 LYS CE . 26690 1 606 . 1 1 49 49 LYS N N 15 119.277 0.018 . 1 . . . . 49 LYS N . 26690 1 607 . 1 1 50 50 LEU H H 1 7.414 0.005 . 1 . . . . 50 LEU H . 26690 1 608 . 1 1 50 50 LEU HA H 1 4.360 0.004 . 1 . . . . 50 LEU HA . 26690 1 609 . 1 1 50 50 LEU HB2 H 1 2.043 0.004 . 1 . . . . 50 LEU HB2 . 26690 1 610 . 1 1 50 50 LEU HB3 H 1 1.595 0.008 . 1 . . . . 50 LEU HB3 . 26690 1 611 . 1 1 50 50 LEU HG H 1 1.737 0.009 . 1 . . . . 50 LEU HG . 26690 1 612 . 1 1 50 50 LEU HD11 H 1 1.004 0.000 . 1 . . . . 50 LEU HD1# . 26690 1 613 . 1 1 50 50 LEU HD12 H 1 1.004 0.000 . 1 . . . . 50 LEU HD1# . 26690 1 614 . 1 1 50 50 LEU HD13 H 1 1.004 0.000 . 1 . . . . 50 LEU HD1# . 26690 1 615 . 1 1 50 50 LEU HD21 H 1 0.875 0.008 . 1 . . . . 50 LEU HD2# . 26690 1 616 . 1 1 50 50 LEU HD22 H 1 0.875 0.008 . 1 . . . . 50 LEU HD2# . 26690 1 617 . 1 1 50 50 LEU HD23 H 1 0.875 0.008 . 1 . . . . 50 LEU HD2# . 26690 1 618 . 1 1 50 50 LEU C C 13 175.453 0.000 . 1 . . . . 50 LEU C . 26690 1 619 . 1 1 50 50 LEU CA C 13 54.199 0.018 . 1 . . . . 50 LEU CA . 26690 1 620 . 1 1 50 50 LEU CB C 13 43.697 0.012 . 1 . . . . 50 LEU CB . 26690 1 621 . 1 1 50 50 LEU CG C 13 26.986 0.054 . 1 . . . . 50 LEU CG . 26690 1 622 . 1 1 50 50 LEU CD1 C 13 27.936 0.000 . 1 . . . . 50 LEU CD1 . 26690 1 623 . 1 1 50 50 LEU CD2 C 13 22.560 0.000 . 1 . . . . 50 LEU CD2 . 26690 1 624 . 1 1 50 50 LEU N N 15 117.676 0.020 . 1 . . . . 50 LEU N . 26690 1 625 . 1 1 51 51 VAL H H 1 7.077 0.006 . 1 . . . . 51 VAL H . 26690 1 626 . 1 1 51 51 VAL HA H 1 4.339 0.007 . 1 . . . . 51 VAL HA . 26690 1 627 . 1 1 51 51 VAL HB H 1 2.349 0.000 . 1 . . . . 51 VAL HB . 26690 1 628 . 1 1 51 51 VAL HG11 H 1 0.907 0.000 . 1 . . . . 51 VAL HG1# . 26690 1 629 . 1 1 51 51 VAL HG12 H 1 0.907 0.000 . 1 . . . . 51 VAL HG1# . 26690 1 630 . 1 1 51 51 VAL HG13 H 1 0.907 0.000 . 1 . . . . 51 VAL HG1# . 26690 1 631 . 1 1 51 51 VAL HG21 H 1 0.820 0.000 . 1 . . . . 51 VAL HG2# . 26690 1 632 . 1 1 51 51 VAL HG22 H 1 0.820 0.000 . 1 . . . . 51 VAL HG2# . 26690 1 633 . 1 1 51 51 VAL HG23 H 1 0.820 0.000 . 1 . . . . 51 VAL HG2# . 26690 1 634 . 1 1 51 51 VAL C C 13 175.046 0.004 . 1 . . . . 51 VAL C . 26690 1 635 . 1 1 51 51 VAL CA C 13 62.104 0.048 . 1 . . . . 51 VAL CA . 26690 1 636 . 1 1 51 51 VAL CB C 13 29.615 0.012 . 1 . . . . 51 VAL CB . 26690 1 637 . 1 1 51 51 VAL CG1 C 13 21.468 0.000 . 1 . . . . 51 VAL CG# . 26690 1 638 . 1 1 51 51 VAL CG2 C 13 21.468 0.000 . 1 . . . . 51 VAL CG# . 26690 1 639 . 1 1 51 51 VAL N N 15 120.646 0.022 . 1 . . . . 51 VAL N . 26690 1 640 . 1 1 52 52 ASP H H 1 8.819 0.006 . 1 . . . . 52 ASP H . 26690 1 641 . 1 1 52 52 ASP HA H 1 4.707 0.007 . 1 . . . . 52 ASP HA . 26690 1 642 . 1 1 52 52 ASP HB2 H 1 2.969 0.000 . 1 . . . . 52 ASP HB2 . 26690 1 643 . 1 1 52 52 ASP HB3 H 1 2.485 0.000 . 1 . . . . 52 ASP HB3 . 26690 1 644 . 1 1 52 52 ASP C C 13 177.923 0.015 . 1 . . . . 52 ASP C . 26690 1 645 . 1 1 52 52 ASP CA C 13 52.588 0.058 . 1 . . . . 52 ASP CA . 26690 1 646 . 1 1 52 52 ASP CB C 13 41.649 0.013 . 1 . . . . 52 ASP CB . 26690 1 647 . 1 1 52 52 ASP N N 15 128.901 0.019 . 1 . . . . 52 ASP N . 26690 1 648 . 1 1 53 53 GLY H H 1 8.768 0.007 . 1 . . . . 53 GLY H . 26690 1 649 . 1 1 53 53 GLY HA2 H 1 3.636 0.012 . 1 . . . . 53 GLY HA2 . 26690 1 650 . 1 1 53 53 GLY HA3 H 1 4.127 0.002 . 1 . . . . 53 GLY HA3 . 26690 1 651 . 1 1 53 53 GLY C C 13 172.534 0.008 . 1 . . . . 53 GLY C . 26690 1 652 . 1 1 53 53 GLY CA C 13 45.962 0.005 . 1 . . . . 53 GLY CA . 26690 1 653 . 1 1 53 53 GLY N N 15 110.603 0.025 . 1 . . . . 53 GLY N . 26690 1 654 . 1 1 54 54 ARG H H 1 8.663 0.006 . 1 . . . . 54 ARG H . 26690 1 655 . 1 1 54 54 ARG HA H 1 4.327 0.008 . 1 . . . . 54 ARG HA . 26690 1 656 . 1 1 54 54 ARG HB2 H 1 1.830 0.001 . 1 . . . . 54 ARG HB2 . 26690 1 657 . 1 1 54 54 ARG HB3 H 1 1.758 0.002 . 1 . . . . 54 ARG HB3 . 26690 1 658 . 1 1 54 54 ARG HG2 H 1 1.493 0.001 . 2 . . . . 54 ARG HG# . 26690 1 659 . 1 1 54 54 ARG HG3 H 1 1.493 0.001 . 2 . . . . 54 ARG HG# . 26690 1 660 . 1 1 54 54 ARG HD2 H 1 3.148 0.002 . 2 . . . . 54 ARG HD# . 26690 1 661 . 1 1 54 54 ARG HD3 H 1 3.148 0.002 . 2 . . . . 54 ARG HD# . 26690 1 662 . 1 1 54 54 ARG C C 13 176.002 0.000 . 1 . . . . 54 ARG C . 26690 1 663 . 1 1 54 54 ARG CA C 13 57.500 0.024 . 1 . . . . 54 ARG CA . 26690 1 664 . 1 1 54 54 ARG CB C 13 32.753 0.022 . 1 . . . . 54 ARG CB . 26690 1 665 . 1 1 54 54 ARG CG C 13 27.242 0.000 . 1 . . . . 54 ARG CG . 26690 1 666 . 1 1 54 54 ARG CD C 13 43.414 0.000 . 1 . . . . 54 ARG CD . 26690 1 667 . 1 1 54 54 ARG N N 15 121.340 0.014 . 1 . . . . 54 ARG N . 26690 1 668 . 1 1 55 55 ASN H H 1 9.737 0.004 . 1 . . . . 55 ASN H . 26690 1 669 . 1 1 55 55 ASN HA H 1 4.826 0.007 . 1 . . . . 55 ASN HA . 26690 1 670 . 1 1 55 55 ASN HB2 H 1 2.815 0.000 . 1 . . . . 55 ASN HB2 . 26690 1 671 . 1 1 55 55 ASN HB3 H 1 2.705 0.003 . 1 . . . . 55 ASN HB3 . 26690 1 672 . 1 1 55 55 ASN C C 13 176.609 0.000 . 1 . . . . 55 ASN C . 26690 1 673 . 1 1 55 55 ASN CA C 13 53.992 0.047 . 1 . . . . 55 ASN CA . 26690 1 674 . 1 1 55 55 ASN CB C 13 39.710 0.012 . 1 . . . . 55 ASN CB . 26690 1 675 . 1 1 55 55 ASN N N 15 120.574 0.022 . 1 . . . . 55 ASN N . 26690 1 676 . 1 1 56 56 THR H H 1 8.484 0.005 . 1 . . . . 56 THR H . 26690 1 677 . 1 1 56 56 THR HA H 1 5.124 0.004 . 1 . . . . 56 THR HA . 26690 1 678 . 1 1 56 56 THR HB H 1 4.973 0.001 . 1 . . . . 56 THR HB . 26690 1 679 . 1 1 56 56 THR HG21 H 1 1.247 0.004 . 1 . . . . 56 THR HG2# . 26690 1 680 . 1 1 56 56 THR HG22 H 1 1.247 0.004 . 1 . . . . 56 THR HG2# . 26690 1 681 . 1 1 56 56 THR HG23 H 1 1.247 0.004 . 1 . . . . 56 THR HG2# . 26690 1 682 . 1 1 56 56 THR C C 13 176.197 0.007 . 1 . . . . 56 THR C . 26690 1 683 . 1 1 56 56 THR CA C 13 59.853 0.027 . 1 . . . . 56 THR CA . 26690 1 684 . 1 1 56 56 THR CB C 13 71.019 0.032 . 1 . . . . 56 THR CB . 26690 1 685 . 1 1 56 56 THR CG2 C 13 22.064 0.000 . 1 . . . . 56 THR CG2 . 26690 1 686 . 1 1 56 56 THR N N 15 111.584 0.019 . 1 . . . . 56 THR N . 26690 1 687 . 1 1 57 57 VAL H H 1 8.455 0.006 . 1 . . . . 57 VAL H . 26690 1 688 . 1 1 57 57 VAL HA H 1 3.422 0.004 . 1 . . . . 57 VAL HA . 26690 1 689 . 1 1 57 57 VAL HB H 1 2.513 0.004 . 1 . . . . 57 VAL HB . 26690 1 690 . 1 1 57 57 VAL HG11 H 1 1.062 0.002 . 1 . . . . 57 VAL HG1# . 26690 1 691 . 1 1 57 57 VAL HG12 H 1 1.062 0.002 . 1 . . . . 57 VAL HG1# . 26690 1 692 . 1 1 57 57 VAL HG13 H 1 1.062 0.002 . 1 . . . . 57 VAL HG1# . 26690 1 693 . 1 1 57 57 VAL HG21 H 1 0.840 0.006 . 1 . . . . 57 VAL HG2# . 26690 1 694 . 1 1 57 57 VAL HG22 H 1 0.840 0.006 . 1 . . . . 57 VAL HG2# . 26690 1 695 . 1 1 57 57 VAL HG23 H 1 0.840 0.006 . 1 . . . . 57 VAL HG2# . 26690 1 696 . 1 1 57 57 VAL C C 13 178.174 0.004 . 1 . . . . 57 VAL C . 26690 1 697 . 1 1 57 57 VAL CA C 13 68.014 0.019 . 1 . . . . 57 VAL CA . 26690 1 698 . 1 1 57 57 VAL CB C 13 30.826 0.127 . 1 . . . . 57 VAL CB . 26690 1 699 . 1 1 57 57 VAL CG1 C 13 23.547 0.000 . 1 . . . . 57 VAL CG1 . 26690 1 700 . 1 1 57 57 VAL CG2 C 13 21.517 0.000 . 1 . . . . 57 VAL CG2 . 26690 1 701 . 1 1 57 57 VAL N N 15 121.094 0.014 . 1 . . . . 57 VAL N . 26690 1 702 . 1 1 58 58 SER H H 1 9.513 0.005 . 1 . . . . 58 SER H . 26690 1 703 . 1 1 58 58 SER HA H 1 4.213 0.007 . 1 . . . . 58 SER HA . 26690 1 704 . 1 1 58 58 SER HB2 H 1 3.790 0.005 . 1 . . . . 58 SER HB2 . 26690 1 705 . 1 1 58 58 SER HB3 H 1 3.588 0.005 . 1 . . . . 58 SER HB3 . 26690 1 706 . 1 1 58 58 SER C C 13 177.259 0.000 . 1 . . . . 58 SER C . 26690 1 707 . 1 1 58 58 SER CA C 13 62.248 0.063 . 1 . . . . 58 SER CA . 26690 1 708 . 1 1 58 58 SER CB C 13 62.988 0.079 . 1 . . . . 58 SER CB . 26690 1 709 . 1 1 58 58 SER N N 15 115.834 0.022 . 1 . . . . 58 SER N . 26690 1 710 . 1 1 59 59 GLN H H 1 8.098 0.004 . 1 . . . . 59 GLN H . 26690 1 711 . 1 1 59 59 GLN HA H 1 3.978 0.002 . 1 . . . . 59 GLN HA . 26690 1 712 . 1 1 59 59 GLN HB2 H 1 1.875 0.005 . 2 . . . . 59 GLN HB# . 26690 1 713 . 1 1 59 59 GLN HB3 H 1 1.875 0.005 . 2 . . . . 59 GLN HB# . 26690 1 714 . 1 1 59 59 GLN HG2 H 1 2.420 0.002 . 2 . . . . 59 GLN HG# . 26690 1 715 . 1 1 59 59 GLN HG3 H 1 2.420 0.002 . 2 . . . . 59 GLN HG# . 26690 1 716 . 1 1 59 59 GLN C C 13 178.907 0.000 . 1 . . . . 59 GLN C . 26690 1 717 . 1 1 59 59 GLN CA C 13 59.335 0.030 . 1 . . . . 59 GLN CA . 26690 1 718 . 1 1 59 59 GLN CB C 13 28.236 0.006 . 1 . . . . 59 GLN CB . 26690 1 719 . 1 1 59 59 GLN CG C 13 34.851 0.000 . 1 . . . . 59 GLN CG . 26690 1 720 . 1 1 59 59 GLN N N 15 122.159 0.016 . 1 . . . . 59 GLN N . 26690 1 721 . 1 1 60 60 ILE H H 1 8.493 0.005 . 1 . . . . 60 ILE H . 26690 1 722 . 1 1 60 60 ILE HA H 1 3.473 0.013 . 1 . . . . 60 ILE HA . 26690 1 723 . 1 1 60 60 ILE HB H 1 2.158 0.006 . 1 . . . . 60 ILE HB . 26690 1 724 . 1 1 60 60 ILE HG12 H 1 1.986 0.001 . 1 . . . . 60 ILE HG12 . 26690 1 725 . 1 1 60 60 ILE HG13 H 1 0.933 0.003 . 1 . . . . 60 ILE HG13 . 26690 1 726 . 1 1 60 60 ILE HG21 H 1 0.856 0.000 . 1 . . . . 60 ILE HG2# . 26690 1 727 . 1 1 60 60 ILE HG22 H 1 0.856 0.000 . 1 . . . . 60 ILE HG2# . 26690 1 728 . 1 1 60 60 ILE HG23 H 1 0.856 0.000 . 1 . . . . 60 ILE HG2# . 26690 1 729 . 1 1 60 60 ILE HD11 H 1 0.705 0.007 . 1 . . . . 60 ILE HD1# . 26690 1 730 . 1 1 60 60 ILE HD12 H 1 0.705 0.007 . 1 . . . . 60 ILE HD1# . 26690 1 731 . 1 1 60 60 ILE HD13 H 1 0.705 0.007 . 1 . . . . 60 ILE HD1# . 26690 1 732 . 1 1 60 60 ILE C C 13 177.369 0.003 . 1 . . . . 60 ILE C . 26690 1 733 . 1 1 60 60 ILE CA C 13 66.835 0.016 . 1 . . . . 60 ILE CA . 26690 1 734 . 1 1 60 60 ILE CB C 13 37.734 0.035 . 1 . . . . 60 ILE CB . 26690 1 735 . 1 1 60 60 ILE CG1 C 13 29.184 0.019 . 1 . . . . 60 ILE CG1 . 26690 1 736 . 1 1 60 60 ILE CG2 C 13 16.783 0.000 . 1 . . . . 60 ILE CG2 . 26690 1 737 . 1 1 60 60 ILE CD1 C 13 13.279 0.000 . 1 . . . . 60 ILE CD1 . 26690 1 738 . 1 1 60 60 ILE N N 15 121.280 0.021 . 1 . . . . 60 ILE N . 26690 1 739 . 1 1 61 61 ALA H H 1 8.280 0.005 . 1 . . . . 61 ALA H . 26690 1 740 . 1 1 61 61 ALA HA H 1 3.758 0.015 . 1 . . . . 61 ALA HA . 26690 1 741 . 1 1 61 61 ALA HB1 H 1 1.463 0.000 . 1 . . . . 61 ALA HB# . 26690 1 742 . 1 1 61 61 ALA HB2 H 1 1.463 0.000 . 1 . . . . 61 ALA HB# . 26690 1 743 . 1 1 61 61 ALA HB3 H 1 1.463 0.000 . 1 . . . . 61 ALA HB# . 26690 1 744 . 1 1 61 61 ALA C C 13 179.223 0.000 . 1 . . . . 61 ALA C . 26690 1 745 . 1 1 61 61 ALA CA C 13 55.432 0.021 . 1 . . . . 61 ALA CA . 26690 1 746 . 1 1 61 61 ALA CB C 13 17.822 0.019 . 1 . . . . 61 ALA CB . 26690 1 747 . 1 1 61 61 ALA N N 15 120.039 0.032 . 1 . . . . 61 ALA N . 26690 1 748 . 1 1 62 62 GLN H H 1 8.035 0.005 . 1 . . . . 62 GLN H . 26690 1 749 . 1 1 62 62 GLN HA H 1 3.855 0.004 . 1 . . . . 62 GLN HA . 26690 1 750 . 1 1 62 62 GLN HB2 H 1 2.191 0.000 . 2 . . . . 62 GLN HB# . 26690 1 751 . 1 1 62 62 GLN HB3 H 1 2.191 0.000 . 2 . . . . 62 GLN HB# . 26690 1 752 . 1 1 62 62 GLN HG2 H 1 2.492 0.003 . 1 . . . . 62 GLN HG2 . 26690 1 753 . 1 1 62 62 GLN HG3 H 1 2.381 0.001 . 1 . . . . 62 GLN HG3 . 26690 1 754 . 1 1 62 62 GLN C C 13 179.303 0.000 . 1 . . . . 62 GLN C . 26690 1 755 . 1 1 62 62 GLN CA C 13 59.244 0.045 . 1 . . . . 62 GLN CA . 26690 1 756 . 1 1 62 62 GLN CB C 13 28.276 0.025 . 1 . . . . 62 GLN CB . 26690 1 757 . 1 1 62 62 GLN CG C 13 33.827 0.000 . 1 . . . . 62 GLN CG . 26690 1 758 . 1 1 62 62 GLN N N 15 117.495 0.016 . 1 . . . . 62 GLN N . 26690 1 759 . 1 1 63 63 ILE H H 1 8.295 0.005 . 1 . . . . 63 ILE H . 26690 1 760 . 1 1 63 63 ILE HA H 1 3.689 0.002 . 1 . . . . 63 ILE HA . 26690 1 761 . 1 1 63 63 ILE HB H 1 1.865 0.001 . 1 . . . . 63 ILE HB . 26690 1 762 . 1 1 63 63 ILE HG12 H 1 1.849 0.003 . 1 . . . . 63 ILE HG12 . 26690 1 763 . 1 1 63 63 ILE HG13 H 1 1.002 0.002 . 1 . . . . 63 ILE HG13 . 26690 1 764 . 1 1 63 63 ILE HG21 H 1 0.917 0.011 . 1 . . . . 63 ILE HG2# . 26690 1 765 . 1 1 63 63 ILE HG22 H 1 0.917 0.011 . 1 . . . . 63 ILE HG2# . 26690 1 766 . 1 1 63 63 ILE HG23 H 1 0.917 0.011 . 1 . . . . 63 ILE HG2# . 26690 1 767 . 1 1 63 63 ILE HD11 H 1 0.843 0.003 . 1 . . . . 63 ILE HD1# . 26690 1 768 . 1 1 63 63 ILE HD12 H 1 0.843 0.003 . 1 . . . . 63 ILE HD1# . 26690 1 769 . 1 1 63 63 ILE HD13 H 1 0.843 0.003 . 1 . . . . 63 ILE HD1# . 26690 1 770 . 1 1 63 63 ILE C C 13 180.175 0.000 . 1 . . . . 63 ILE C . 26690 1 771 . 1 1 63 63 ILE CA C 13 65.601 0.026 . 1 . . . . 63 ILE CA . 26690 1 772 . 1 1 63 63 ILE CB C 13 38.503 0.059 . 1 . . . . 63 ILE CB . 26690 1 773 . 1 1 63 63 ILE CG1 C 13 29.259 0.022 . 1 . . . . 63 ILE CG1 . 26690 1 774 . 1 1 63 63 ILE CG2 C 13 18.234 0.000 . 1 . . . . 63 ILE CG2 . 26690 1 775 . 1 1 63 63 ILE CD1 C 13 13.748 0.000 . 1 . . . . 63 ILE CD1 . 26690 1 776 . 1 1 63 63 ILE N N 15 122.746 0.015 . 1 . . . . 63 ILE N . 26690 1 777 . 1 1 64 64 LEU H H 1 8.587 0.006 . 1 . . . . 64 LEU H . 26690 1 778 . 1 1 64 64 LEU HA H 1 4.128 0.005 . 1 . . . . 64 LEU HA . 26690 1 779 . 1 1 64 64 LEU HB2 H 1 1.737 0.004 . 1 . . . . 64 LEU HB2 . 26690 1 780 . 1 1 64 64 LEU HB3 H 1 0.995 0.008 . 1 . . . . 64 LEU HB3 . 26690 1 781 . 1 1 64 64 LEU HG H 1 1.839 0.006 . 1 . . . . 64 LEU HG . 26690 1 782 . 1 1 64 64 LEU HD11 H 1 0.952 0.004 . 1 . . . . 64 LEU HD1# . 26690 1 783 . 1 1 64 64 LEU HD12 H 1 0.952 0.004 . 1 . . . . 64 LEU HD1# . 26690 1 784 . 1 1 64 64 LEU HD13 H 1 0.952 0.004 . 1 . . . . 64 LEU HD1# . 26690 1 785 . 1 1 64 64 LEU HD21 H 1 0.648 0.004 . 1 . . . . 64 LEU HD2# . 26690 1 786 . 1 1 64 64 LEU HD22 H 1 0.648 0.004 . 1 . . . . 64 LEU HD2# . 26690 1 787 . 1 1 64 64 LEU HD23 H 1 0.648 0.004 . 1 . . . . 64 LEU HD2# . 26690 1 788 . 1 1 64 64 LEU C C 13 179.136 0.000 . 1 . . . . 64 LEU C . 26690 1 789 . 1 1 64 64 LEU CA C 13 57.568 0.020 . 1 . . . . 64 LEU CA . 26690 1 790 . 1 1 64 64 LEU CB C 13 41.597 0.009 . 1 . . . . 64 LEU CB . 26690 1 791 . 1 1 64 64 LEU CG C 13 26.249 0.000 . 1 . . . . 64 LEU CG . 26690 1 792 . 1 1 64 64 LEU CD1 C 13 23.799 0.000 . 1 . . . . 64 LEU CD1 . 26690 1 793 . 1 1 64 64 LEU CD2 C 13 28.269 0.000 . 1 . . . . 64 LEU CD2 . 26690 1 794 . 1 1 64 64 LEU N N 15 120.282 0.020 . 1 . . . . 64 LEU N . 26690 1 795 . 1 1 65 65 GLY H H 1 8.696 0.005 . 1 . . . . 65 GLY H . 26690 1 796 . 1 1 65 65 GLY HA2 H 1 3.550 0.012 . 2 . . . . 65 GLY HA# . 26690 1 797 . 1 1 65 65 GLY HA3 H 1 3.550 0.012 . 2 . . . . 65 GLY HA# . 26690 1 798 . 1 1 65 65 GLY C C 13 175.881 0.000 . 1 . . . . 65 GLY C . 26690 1 799 . 1 1 65 65 GLY CA C 13 48.081 0.021 . 1 . . . . 65 GLY CA . 26690 1 800 . 1 1 65 65 GLY N N 15 109.563 0.014 . 1 . . . . 65 GLY N . 26690 1 801 . 1 1 66 66 GLN H H 1 7.523 0.007 . 1 . . . . 66 GLN H . 26690 1 802 . 1 1 66 66 GLN HA H 1 4.266 0.005 . 1 . . . . 66 GLN HA . 26690 1 803 . 1 1 66 66 GLN HB2 H 1 2.255 0.003 . 2 . . . . 66 GLN HB# . 26690 1 804 . 1 1 66 66 GLN HB3 H 1 2.255 0.003 . 2 . . . . 66 GLN HB# . 26690 1 805 . 1 1 66 66 GLN HG2 H 1 2.547 0.003 . 1 . . . . 66 GLN HG2 . 26690 1 806 . 1 1 66 66 GLN HG3 H 1 2.452 0.005 . 1 . . . . 66 GLN HG3 . 26690 1 807 . 1 1 66 66 GLN C C 13 178.555 0.000 . 1 . . . . 66 GLN C . 26690 1 808 . 1 1 66 66 GLN CA C 13 58.216 0.024 . 1 . . . . 66 GLN CA . 26690 1 809 . 1 1 66 66 GLN CB C 13 28.530 0.009 . 1 . . . . 66 GLN CB . 26690 1 810 . 1 1 66 66 GLN CG C 13 34.078 0.000 . 1 . . . . 66 GLN CG . 26690 1 811 . 1 1 66 66 GLN N N 15 118.872 0.013 . 1 . . . . 66 GLN N . 26690 1 812 . 1 1 67 67 THR H H 1 8.025 0.005 . 1 . . . . 67 THR H . 26690 1 813 . 1 1 67 67 THR HA H 1 3.915 0.015 . 1 . . . . 67 THR HA . 26690 1 814 . 1 1 67 67 THR HB H 1 4.121 0.000 . 1 . . . . 67 THR HB . 26690 1 815 . 1 1 67 67 THR HG21 H 1 0.841 0.000 . 1 . . . . 67 THR HG2# . 26690 1 816 . 1 1 67 67 THR HG22 H 1 0.841 0.000 . 1 . . . . 67 THR HG2# . 26690 1 817 . 1 1 67 67 THR HG23 H 1 0.841 0.000 . 1 . . . . 67 THR HG2# . 26690 1 818 . 1 1 67 67 THR C C 13 175.722 0.000 . 1 . . . . 67 THR C . 26690 1 819 . 1 1 67 67 THR CA C 13 65.955 0.034 . 1 . . . . 67 THR CA . 26690 1 820 . 1 1 67 67 THR CB C 13 69.391 0.029 . 1 . . . . 67 THR CB . 26690 1 821 . 1 1 67 67 THR CG2 C 13 21.185 0.000 . 1 . . . . 67 THR CG2 . 26690 1 822 . 1 1 67 67 THR N N 15 115.838 0.019 . 1 . . . . 67 THR N . 26690 1 823 . 1 1 68 68 TYR H H 1 8.668 0.005 . 1 . . . . 68 TYR H . 26690 1 824 . 1 1 68 68 TYR HA H 1 4.362 0.003 . 1 . . . . 68 TYR HA . 26690 1 825 . 1 1 68 68 TYR HB2 H 1 3.240 0.000 . 1 . . . . 68 TYR HB2 . 26690 1 826 . 1 1 68 68 TYR HB3 H 1 2.686 0.000 . 1 . . . . 68 TYR HB3 . 26690 1 827 . 1 1 68 68 TYR HD1 H 1 7.394 0.002 . 3 . . . . 68 TYR HD# . 26690 1 828 . 1 1 68 68 TYR HD2 H 1 7.394 0.002 . 3 . . . . 68 TYR HD# . 26690 1 829 . 1 1 68 68 TYR HE1 H 1 6.895 0.004 . 3 . . . . 68 TYR HE# . 26690 1 830 . 1 1 68 68 TYR HE2 H 1 6.895 0.004 . 3 . . . . 68 TYR HE# . 26690 1 831 . 1 1 68 68 TYR C C 13 175.192 0.000 . 1 . . . . 68 TYR C . 26690 1 832 . 1 1 68 68 TYR CA C 13 59.486 0.018 . 1 . . . . 68 TYR CA . 26690 1 833 . 1 1 68 68 TYR CB C 13 38.519 0.119 . 1 . . . . 68 TYR CB . 26690 1 834 . 1 1 68 68 TYR N N 15 117.289 0.011 . 1 . . . . 68 TYR N . 26690 1 835 . 1 1 69 69 ASP H H 1 7.793 0.006 . 1 . . . . 69 ASP H . 26690 1 836 . 1 1 69 69 ASP HA H 1 4.397 0.006 . 1 . . . . 69 ASP HA . 26690 1 837 . 1 1 69 69 ASP HB2 H 1 3.155 0.003 . 1 . . . . 69 ASP HB2 . 26690 1 838 . 1 1 69 69 ASP HB3 H 1 2.523 0.001 . 1 . . . . 69 ASP HB3 . 26690 1 839 . 1 1 69 69 ASP C C 13 173.965 0.000 . 1 . . . . 69 ASP C . 26690 1 840 . 1 1 69 69 ASP CA C 13 54.816 0.082 . 1 . . . . 69 ASP CA . 26690 1 841 . 1 1 69 69 ASP CB C 13 38.867 0.019 . 1 . . . . 69 ASP CB . 26690 1 842 . 1 1 69 69 ASP N N 15 121.720 0.012 . 1 . . . . 69 ASP N . 26690 1 843 . 1 1 70 70 ALA H H 1 8.424 0.006 . 1 . . . . 70 ALA H . 26690 1 844 . 1 1 70 70 ALA HA H 1 4.705 0.004 . 1 . . . . 70 ALA HA . 26690 1 845 . 1 1 70 70 ALA HB1 H 1 1.151 0.000 . 1 . . . . 70 ALA HB# . 26690 1 846 . 1 1 70 70 ALA HB2 H 1 1.151 0.000 . 1 . . . . 70 ALA HB# . 26690 1 847 . 1 1 70 70 ALA HB3 H 1 1.151 0.000 . 1 . . . . 70 ALA HB# . 26690 1 848 . 1 1 70 70 ALA C C 13 175.521 0.000 . 1 . . . . 70 ALA C . 26690 1 849 . 1 1 70 70 ALA CA C 13 50.007 0.024 . 1 . . . . 70 ALA CA . 26690 1 850 . 1 1 70 70 ALA CB C 13 22.982 0.034 . 1 . . . . 70 ALA CB . 26690 1 851 . 1 1 70 70 ALA N N 15 120.741 0.008 . 1 . . . . 70 ALA N . 26690 1 852 . 1 1 71 71 ASP H H 1 8.265 0.005 . 1 . . . . 71 ASP H . 26690 1 853 . 1 1 71 71 ASP HA H 1 4.625 0.008 . 1 . . . . 71 ASP HA . 26690 1 854 . 1 1 71 71 ASP HB2 H 1 2.755 0.000 . 1 . . . . 71 ASP HB2 . 26690 1 855 . 1 1 71 71 ASP HB3 H 1 2.649 0.000 . 1 . . . . 71 ASP HB3 . 26690 1 856 . 1 1 71 71 ASP C C 13 173.693 0.000 . 1 . . . . 71 ASP C . 26690 1 857 . 1 1 71 71 ASP CA C 13 51.700 0.003 . 1 . . . . 71 ASP CA . 26690 1 858 . 1 1 71 71 ASP CB C 13 42.132 0.000 . 1 . . . . 71 ASP CB . 26690 1 859 . 1 1 71 71 ASP N N 15 121.177 0.015 . 1 . . . . 71 ASP N . 26690 1 860 . 1 1 72 72 PRO HA H 1 3.875 0.005 . 1 . . . . 72 PRO HA . 26690 1 861 . 1 1 72 72 PRO HB2 H 1 2.028 0.004 . 1 . . . . 72 PRO HB2 . 26690 1 862 . 1 1 72 72 PRO HB3 H 1 1.886 0.007 . 1 . . . . 72 PRO HB3 . 26690 1 863 . 1 1 72 72 PRO HG2 H 1 2.148 0.015 . 1 . . . . 72 PRO HG2 . 26690 1 864 . 1 1 72 72 PRO HG3 H 1 1.951 0.005 . 1 . . . . 72 PRO HG3 . 26690 1 865 . 1 1 72 72 PRO C C 13 177.529 0.000 . 1 . . . . 72 PRO C . 26690 1 866 . 1 1 72 72 PRO CA C 13 64.864 0.005 . 1 . . . . 72 PRO CA . 26690 1 867 . 1 1 72 72 PRO CB C 13 32.356 0.064 . 1 . . . . 72 PRO CB . 26690 1 868 . 1 1 72 72 PRO CG C 13 28.093 0.008 . 1 . . . . 72 PRO CG . 26690 1 869 . 1 1 73 73 ALA H H 1 8.612 0.006 . 1 . . . . 73 ALA H . 26690 1 870 . 1 1 73 73 ALA HA H 1 4.046 0.008 . 1 . . . . 73 ALA HA . 26690 1 871 . 1 1 73 73 ALA HB1 H 1 1.362 0.000 . 1 . . . . 73 ALA HB# . 26690 1 872 . 1 1 73 73 ALA HB2 H 1 1.362 0.000 . 1 . . . . 73 ALA HB# . 26690 1 873 . 1 1 73 73 ALA HB3 H 1 1.362 0.000 . 1 . . . . 73 ALA HB# . 26690 1 874 . 1 1 73 73 ALA C C 13 181.723 0.000 . 1 . . . . 73 ALA C . 26690 1 875 . 1 1 73 73 ALA CA C 13 55.172 0.019 . 1 . . . . 73 ALA CA . 26690 1 876 . 1 1 73 73 ALA CB C 13 18.397 0.016 . 1 . . . . 73 ALA CB . 26690 1 877 . 1 1 73 73 ALA N N 15 120.252 0.022 . 1 . . . . 73 ALA N . 26690 1 878 . 1 1 74 74 ILE H H 1 7.196 0.007 . 1 . . . . 74 ILE H . 26690 1 879 . 1 1 74 74 ILE HA H 1 3.741 0.005 . 1 . . . . 74 ILE HA . 26690 1 880 . 1 1 74 74 ILE HB H 1 2.061 0.003 . 1 . . . . 74 ILE HB . 26690 1 881 . 1 1 74 74 ILE HG12 H 1 1.563 0.000 . 1 . . . . 74 ILE HG12 . 26690 1 882 . 1 1 74 74 ILE HG13 H 1 1.275 0.000 . 1 . . . . 74 ILE HG13 . 26690 1 883 . 1 1 74 74 ILE HG21 H 1 0.940 0.000 . 1 . . . . 74 ILE HG2# . 26690 1 884 . 1 1 74 74 ILE HG22 H 1 0.940 0.000 . 1 . . . . 74 ILE HG2# . 26690 1 885 . 1 1 74 74 ILE HG23 H 1 0.940 0.000 . 1 . . . . 74 ILE HG2# . 26690 1 886 . 1 1 74 74 ILE HD11 H 1 0.897 0.000 . 1 . . . . 74 ILE HD1# . 26690 1 887 . 1 1 74 74 ILE HD12 H 1 0.897 0.000 . 1 . . . . 74 ILE HD1# . 26690 1 888 . 1 1 74 74 ILE HD13 H 1 0.897 0.000 . 1 . . . . 74 ILE HD1# . 26690 1 889 . 1 1 74 74 ILE C C 13 177.601 0.000 . 1 . . . . 74 ILE C . 26690 1 890 . 1 1 74 74 ILE CA C 13 63.179 0.056 . 1 . . . . 74 ILE CA . 26690 1 891 . 1 1 74 74 ILE CB C 13 37.576 0.035 . 1 . . . . 74 ILE CB . 26690 1 892 . 1 1 74 74 ILE CG1 C 13 28.505 0.010 . 1 . . . . 74 ILE CG1 . 26690 1 893 . 1 1 74 74 ILE CG2 C 13 16.857 0.042 . 1 . . . . 74 ILE CG2 . 26690 1 894 . 1 1 74 74 ILE CD1 C 13 12.342 0.000 . 1 . . . . 74 ILE CD1 . 26690 1 895 . 1 1 74 74 ILE N N 15 120.526 0.020 . 1 . . . . 74 ILE N . 26690 1 896 . 1 1 75 75 ILE H H 1 6.987 0.007 . 1 . . . . 75 ILE H . 26690 1 897 . 1 1 75 75 ILE HA H 1 3.091 0.008 . 1 . . . . 75 ILE HA . 26690 1 898 . 1 1 75 75 ILE HB H 1 1.302 0.000 . 1 . . . . 75 ILE HB . 26690 1 899 . 1 1 75 75 ILE HG12 H 1 0.683 0.003 . 2 . . . . 75 ILE HG1# . 26690 1 900 . 1 1 75 75 ILE HG13 H 1 0.683 0.003 . 2 . . . . 75 ILE HG1# . 26690 1 901 . 1 1 75 75 ILE HG21 H 1 0.020 0.002 . 1 . . . . 75 ILE HG2# . 26690 1 902 . 1 1 75 75 ILE HG22 H 1 0.020 0.002 . 1 . . . . 75 ILE HG2# . 26690 1 903 . 1 1 75 75 ILE HG23 H 1 0.020 0.002 . 1 . . . . 75 ILE HG2# . 26690 1 904 . 1 1 75 75 ILE HD11 H 1 -0.219 0.009 . 1 . . . . 75 ILE HD1# . 26690 1 905 . 1 1 75 75 ILE HD12 H 1 -0.219 0.009 . 1 . . . . 75 ILE HD1# . 26690 1 906 . 1 1 75 75 ILE HD13 H 1 -0.219 0.009 . 1 . . . . 75 ILE HD1# . 26690 1 907 . 1 1 75 75 ILE C C 13 178.346 0.000 . 1 . . . . 75 ILE C . 26690 1 908 . 1 1 75 75 ILE CA C 13 65.252 0.014 . 1 . . . . 75 ILE CA . 26690 1 909 . 1 1 75 75 ILE CB C 13 37.079 0.044 . 1 . . . . 75 ILE CB . 26690 1 910 . 1 1 75 75 ILE CG1 C 13 25.822 0.042 . 1 . . . . 75 ILE CG1 . 26690 1 911 . 1 1 75 75 ILE CG2 C 13 17.355 0.043 . 1 . . . . 75 ILE CG2 . 26690 1 912 . 1 1 75 75 ILE CD1 C 13 13.727 1.333 . 1 . . . . 75 ILE CD1 . 26690 1 913 . 1 1 75 75 ILE N N 15 118.959 0.021 . 1 . . . . 75 ILE N . 26690 1 914 . 1 1 76 76 GLU H H 1 8.682 0.005 . 1 . . . . 76 GLU H . 26690 1 915 . 1 1 76 76 GLU HA H 1 3.482 0.004 . 1 . . . . 76 GLU HA . 26690 1 916 . 1 1 76 76 GLU HB2 H 1 1.998 0.008 . 1 . . . . 76 GLU HB2 . 26690 1 917 . 1 1 76 76 GLU HB3 H 1 1.848 0.003 . 1 . . . . 76 GLU HB3 . 26690 1 918 . 1 1 76 76 GLU HG2 H 1 2.046 0.010 . 1 . . . . 76 GLU HG2 . 26690 1 919 . 1 1 76 76 GLU HG3 H 1 1.820 0.002 . 1 . . . . 76 GLU HG3 . 26690 1 920 . 1 1 76 76 GLU C C 13 176.901 0.000 . 1 . . . . 76 GLU C . 26690 1 921 . 1 1 76 76 GLU CA C 13 60.911 0.039 . 1 . . . . 76 GLU CA . 26690 1 922 . 1 1 76 76 GLU CB C 13 30.169 0.008 . 1 . . . . 76 GLU CB . 26690 1 923 . 1 1 76 76 GLU CG C 13 37.203 0.007 . 1 . . . . 76 GLU CG . 26690 1 924 . 1 1 76 76 GLU N N 15 119.423 0.017 . 1 . . . . 76 GLU N . 26690 1 925 . 1 1 77 77 ALA H H 1 7.044 0.005 . 1 . . . . 77 ALA H . 26690 1 926 . 1 1 77 77 ALA HA H 1 4.104 0.006 . 1 . . . . 77 ALA HA . 26690 1 927 . 1 1 77 77 ALA HB1 H 1 1.504 0.000 . 1 . . . . 77 ALA HB# . 26690 1 928 . 1 1 77 77 ALA HB2 H 1 1.504 0.000 . 1 . . . . 77 ALA HB# . 26690 1 929 . 1 1 77 77 ALA HB3 H 1 1.504 0.000 . 1 . . . . 77 ALA HB# . 26690 1 930 . 1 1 77 77 ALA C C 13 179.792 0.000 . 1 . . . . 77 ALA C . 26690 1 931 . 1 1 77 77 ALA CA C 13 54.717 0.015 . 1 . . . . 77 ALA CA . 26690 1 932 . 1 1 77 77 ALA CB C 13 18.029 0.017 . 1 . . . . 77 ALA CB . 26690 1 933 . 1 1 77 77 ALA N N 15 117.391 0.017 . 1 . . . . 77 ALA N . 26690 1 934 . 1 1 78 78 ASP H H 1 7.830 0.004 . 1 . . . . 78 ASP H . 26690 1 935 . 1 1 78 78 ASP HA H 1 4.774 0.001 . 1 . . . . 78 ASP HA . 26690 1 936 . 1 1 78 78 ASP HB2 H 1 3.312 0.000 . 1 . . . . 78 ASP HB2 . 26690 1 937 . 1 1 78 78 ASP HB3 H 1 2.645 0.000 . 1 . . . . 78 ASP HB3 . 26690 1 938 . 1 1 78 78 ASP C C 13 179.349 0.000 . 1 . . . . 78 ASP C . 26690 1 939 . 1 1 78 78 ASP CA C 13 56.441 0.020 . 1 . . . . 78 ASP CA . 26690 1 940 . 1 1 78 78 ASP CB C 13 42.551 0.015 . 1 . . . . 78 ASP CB . 26690 1 941 . 1 1 78 78 ASP N N 15 116.134 0.021 . 1 . . . . 78 ASP N . 26690 1 942 . 1 1 79 79 ILE H H 1 8.597 0.005 . 1 . . . . 79 ILE H . 26690 1 943 . 1 1 79 79 ILE HA H 1 4.344 0.004 . 1 . . . . 79 ILE HA . 26690 1 944 . 1 1 79 79 ILE HB H 1 1.937 0.006 . 1 . . . . 79 ILE HB . 26690 1 945 . 1 1 79 79 ILE HG12 H 1 1.586 0.000 . 1 . . . . 79 ILE HG12 . 26690 1 946 . 1 1 79 79 ILE HG13 H 1 1.347 0.002 . 1 . . . . 79 ILE HG13 . 26690 1 947 . 1 1 79 79 ILE HG21 H 1 1.056 0.000 . 1 . . . . 79 ILE HG2# . 26690 1 948 . 1 1 79 79 ILE HG22 H 1 1.056 0.000 . 1 . . . . 79 ILE HG2# . 26690 1 949 . 1 1 79 79 ILE HG23 H 1 1.056 0.000 . 1 . . . . 79 ILE HG2# . 26690 1 950 . 1 1 79 79 ILE HD11 H 1 0.710 0.000 . 1 . . . . 79 ILE HD1# . 26690 1 951 . 1 1 79 79 ILE HD12 H 1 0.710 0.000 . 1 . . . . 79 ILE HD1# . 26690 1 952 . 1 1 79 79 ILE HD13 H 1 0.710 0.000 . 1 . . . . 79 ILE HD1# . 26690 1 953 . 1 1 79 79 ILE C C 13 177.299 0.000 . 1 . . . . 79 ILE C . 26690 1 954 . 1 1 79 79 ILE CA C 13 64.059 0.014 . 1 . . . . 79 ILE CA . 26690 1 955 . 1 1 79 79 ILE CB C 13 38.483 0.021 . 1 . . . . 79 ILE CB . 26690 1 956 . 1 1 79 79 ILE CG1 C 13 25.766 0.000 . 1 . . . . 79 ILE CG1 . 26690 1 957 . 1 1 79 79 ILE CG2 C 13 18.992 0.093 . 1 . . . . 79 ILE CG2 . 26690 1 958 . 1 1 79 79 ILE CD1 C 13 14.684 0.000 . 1 . . . . 79 ILE CD1 . 26690 1 959 . 1 1 79 79 ILE N N 15 114.835 0.024 . 1 . . . . 79 ILE N . 26690 1 960 . 1 1 80 80 LEU H H 1 8.015 0.004 . 1 . . . . 80 LEU H . 26690 1 961 . 1 1 80 80 LEU HA H 1 4.029 0.007 . 1 . . . . 80 LEU HA . 26690 1 962 . 1 1 80 80 LEU HB2 H 1 2.009 0.006 . 1 . . . . 80 LEU HB2 . 26690 1 963 . 1 1 80 80 LEU HB3 H 1 1.538 0.000 . 1 . . . . 80 LEU HB3 . 26690 1 964 . 1 1 80 80 LEU HG H 1 1.840 0.008 . 1 . . . . 80 LEU HG . 26690 1 965 . 1 1 80 80 LEU HD11 H 1 0.944 0.005 . 1 . . . . 80 LEU HD1# . 26690 1 966 . 1 1 80 80 LEU HD12 H 1 0.944 0.005 . 1 . . . . 80 LEU HD1# . 26690 1 967 . 1 1 80 80 LEU HD13 H 1 0.944 0.005 . 1 . . . . 80 LEU HD1# . 26690 1 968 . 1 1 80 80 LEU HD21 H 1 0.761 0.005 . 1 . . . . 80 LEU HD2# . 26690 1 969 . 1 1 80 80 LEU HD22 H 1 0.761 0.005 . 1 . . . . 80 LEU HD2# . 26690 1 970 . 1 1 80 80 LEU HD23 H 1 0.761 0.005 . 1 . . . . 80 LEU HD2# . 26690 1 971 . 1 1 80 80 LEU C C 13 181.068 0.000 . 1 . . . . 80 LEU C . 26690 1 972 . 1 1 80 80 LEU CA C 13 60.799 0.003 . 1 . . . . 80 LEU CA . 26690 1 973 . 1 1 80 80 LEU CB C 13 39.158 0.000 . 1 . . . . 80 LEU CB . 26690 1 974 . 1 1 80 80 LEU CG C 13 27.332 0.000 . 1 . . . . 80 LEU CG . 26690 1 975 . 1 1 80 80 LEU CD1 C 13 25.927 0.000 . 1 . . . . 80 LEU CD1 . 26690 1 976 . 1 1 80 80 LEU CD2 C 13 24.522 0.000 . 1 . . . . 80 LEU CD2 . 26690 1 977 . 1 1 80 80 LEU N N 15 123.823 0.022 . 1 . . . . 80 LEU N . 26690 1 978 . 1 1 81 81 PRO HA H 1 4.384 0.003 . 1 . . . . 81 PRO HA . 26690 1 979 . 1 1 81 81 PRO HB2 H 1 2.317 0.003 . 1 . . . . 81 PRO HB2 . 26690 1 980 . 1 1 81 81 PRO HB3 H 1 1.920 0.015 . 1 . . . . 81 PRO HB3 . 26690 1 981 . 1 1 81 81 PRO HG2 H 1 2.164 0.002 . 1 . . . . 81 PRO HG2 . 26690 1 982 . 1 1 81 81 PRO HG3 H 1 2.027 0.000 . 1 . . . . 81 PRO HG3 . 26690 1 983 . 1 1 81 81 PRO HD2 H 1 3.715 0.009 . 1 . . . . 81 PRO HD2 . 26690 1 984 . 1 1 81 81 PRO HD3 H 1 3.641 0.005 . 1 . . . . 81 PRO HD3 . 26690 1 985 . 1 1 81 81 PRO C C 13 180.053 0.000 . 1 . . . . 81 PRO C . 26690 1 986 . 1 1 81 81 PRO CA C 13 65.343 0.074 . 1 . . . . 81 PRO CA . 26690 1 987 . 1 1 81 81 PRO CB C 13 30.788 0.019 . 1 . . . . 81 PRO CB . 26690 1 988 . 1 1 81 81 PRO CG C 13 28.083 0.030 . 1 . . . . 81 PRO CG . 26690 1 989 . 1 1 81 81 PRO CD C 13 51.133 0.091 . 1 . . . . 81 PRO CD . 26690 1 990 . 1 1 82 82 MET H H 1 6.590 0.007 . 1 . . . . 82 MET H . 26690 1 991 . 1 1 82 82 MET HA H 1 4.021 0.003 . 1 . . . . 82 MET HA . 26690 1 992 . 1 1 82 82 MET HB2 H 1 2.611 0.005 . 1 . . . . 82 MET HB2 . 26690 1 993 . 1 1 82 82 MET HB3 H 1 2.076 0.005 . 1 . . . . 82 MET HB3 . 26690 1 994 . 1 1 82 82 MET HG2 H 1 2.304 0.000 . 1 . . . . 82 MET HG2 . 26690 1 995 . 1 1 82 82 MET HG3 H 1 2.176 0.000 . 1 . . . . 82 MET HG3 . 26690 1 996 . 1 1 82 82 MET C C 13 178.653 0.000 . 1 . . . . 82 MET C . 26690 1 997 . 1 1 82 82 MET CA C 13 58.620 0.041 . 1 . . . . 82 MET CA . 26690 1 998 . 1 1 82 82 MET CB C 13 32.059 0.075 . 1 . . . . 82 MET CB . 26690 1 999 . 1 1 82 82 MET CG C 13 32.015 0.000 . 1 . . . . 82 MET CG . 26690 1 1000 . 1 1 82 82 MET N N 15 119.061 0.010 . 1 . . . . 82 MET N . 26690 1 1001 . 1 1 83 83 LEU H H 1 8.285 0.006 . 1 . . . . 83 LEU H . 26690 1 1002 . 1 1 83 83 LEU HA H 1 3.623 0.005 . 1 . . . . 83 LEU HA . 26690 1 1003 . 1 1 83 83 LEU HB2 H 1 1.310 0.004 . 1 . . . . 83 LEU HB2 . 26690 1 1004 . 1 1 83 83 LEU HB3 H 1 0.507 0.009 . 1 . . . . 83 LEU HB3 . 26690 1 1005 . 1 1 83 83 LEU HG H 1 1.825 0.003 . 1 . . . . 83 LEU HG . 26690 1 1006 . 1 1 83 83 LEU HD11 H 1 0.583 0.003 . 1 . . . . 83 LEU HD1# . 26690 1 1007 . 1 1 83 83 LEU HD12 H 1 0.583 0.003 . 1 . . . . 83 LEU HD1# . 26690 1 1008 . 1 1 83 83 LEU HD13 H 1 0.583 0.003 . 1 . . . . 83 LEU HD1# . 26690 1 1009 . 1 1 83 83 LEU HD21 H 1 0.501 0.003 . 1 . . . . 83 LEU HD2# . 26690 1 1010 . 1 1 83 83 LEU HD22 H 1 0.501 0.003 . 1 . . . . 83 LEU HD2# . 26690 1 1011 . 1 1 83 83 LEU HD23 H 1 0.501 0.003 . 1 . . . . 83 LEU HD2# . 26690 1 1012 . 1 1 83 83 LEU C C 13 177.840 0.000 . 1 . . . . 83 LEU C . 26690 1 1013 . 1 1 83 83 LEU CA C 13 57.562 0.016 . 1 . . . . 83 LEU CA . 26690 1 1014 . 1 1 83 83 LEU CB C 13 39.687 0.028 . 1 . . . . 83 LEU CB . 26690 1 1015 . 1 1 83 83 LEU CG C 13 25.814 0.000 . 1 . . . . 83 LEU CG . 26690 1 1016 . 1 1 83 83 LEU CD1 C 13 27.332 0.000 . 1 . . . . 83 LEU CD1 . 26690 1 1017 . 1 1 83 83 LEU CD2 C 13 21.598 0.000 . 1 . . . . 83 LEU CD2 . 26690 1 1018 . 1 1 83 83 LEU N N 15 119.670 0.025 . 1 . . . . 83 LEU N . 26690 1 1019 . 1 1 84 84 ALA H H 1 8.099 0.004 . 1 . . . . 84 ALA H . 26690 1 1020 . 1 1 84 84 ALA HA H 1 3.817 0.002 . 1 . . . . 84 ALA HA . 26690 1 1021 . 1 1 84 84 ALA HB1 H 1 1.446 0.000 . 1 . . . . 84 ALA HB# . 26690 1 1022 . 1 1 84 84 ALA HB2 H 1 1.446 0.000 . 1 . . . . 84 ALA HB# . 26690 1 1023 . 1 1 84 84 ALA HB3 H 1 1.446 0.000 . 1 . . . . 84 ALA HB# . 26690 1 1024 . 1 1 84 84 ALA C C 13 180.883 0.000 . 1 . . . . 84 ALA C . 26690 1 1025 . 1 1 84 84 ALA CA C 13 55.246 0.022 . 1 . . . . 84 ALA CA . 26690 1 1026 . 1 1 84 84 ALA CB C 13 18.433 0.015 . 1 . . . . 84 ALA CB . 26690 1 1027 . 1 1 84 84 ALA N N 15 120.396 0.027 . 1 . . . . 84 ALA N . 26690 1 1028 . 1 1 85 85 GLY H H 1 7.949 0.007 . 1 . . . . 85 GLY H . 26690 1 1029 . 1 1 85 85 GLY HA2 H 1 3.869 0.007 . 2 . . . . 85 GLY HA# . 26690 1 1030 . 1 1 85 85 GLY HA3 H 1 3.869 0.007 . 2 . . . . 85 GLY HA# . 26690 1 1031 . 1 1 85 85 GLY C C 13 176.680 0.000 . 1 . . . . 85 GLY C . 26690 1 1032 . 1 1 85 85 GLY CA C 13 46.942 0.021 . 1 . . . . 85 GLY CA . 26690 1 1033 . 1 1 85 85 GLY N N 15 105.987 0.024 . 1 . . . . 85 GLY N . 26690 1 1034 . 1 1 86 86 LEU H H 1 7.416 0.007 . 1 . . . . 86 LEU H . 26690 1 1035 . 1 1 86 86 LEU HA H 1 3.822 0.005 . 1 . . . . 86 LEU HA . 26690 1 1036 . 1 1 86 86 LEU HB2 H 1 1.764 0.005 . 1 . . . . 86 LEU HB2 . 26690 1 1037 . 1 1 86 86 LEU HB3 H 1 0.969 0.004 . 1 . . . . 86 LEU HB3 . 26690 1 1038 . 1 1 86 86 LEU HG H 1 0.560 0.004 . 1 . . . . 86 LEU HG . 26690 1 1039 . 1 1 86 86 LEU HD11 H 1 0.005 0.002 . 1 . . . . 86 LEU HD1 . 26690 1 1040 . 1 1 86 86 LEU HD12 H 1 0.005 0.002 . 1 . . . . 86 LEU HD1 . 26690 1 1041 . 1 1 86 86 LEU HD13 H 1 0.005 0.002 . 1 . . . . 86 LEU HD1 . 26690 1 1042 . 1 1 86 86 LEU HD21 H 1 0.005 0.002 . 1 . . . . 86 LEU HD2 . 26690 1 1043 . 1 1 86 86 LEU HD22 H 1 0.005 0.002 . 1 . . . . 86 LEU HD2 . 26690 1 1044 . 1 1 86 86 LEU HD23 H 1 0.005 0.002 . 1 . . . . 86 LEU HD2 . 26690 1 1045 . 1 1 86 86 LEU C C 13 179.244 0.000 . 1 . . . . 86 LEU C . 26690 1 1046 . 1 1 86 86 LEU CA C 13 57.261 0.022 . 1 . . . . 86 LEU CA . 26690 1 1047 . 1 1 86 86 LEU CB C 13 41.663 0.013 . 1 . . . . 86 LEU CB . 26690 1 1048 . 1 1 86 86 LEU CG C 13 26.864 0.000 . 1 . . . . 86 LEU CG . 26690 1 1049 . 1 1 86 86 LEU CD1 C 13 21.130 0.000 . 1 . . . . 86 LEU CD# . 26690 1 1050 . 1 1 86 86 LEU CD2 C 13 21.130 0.000 . 1 . . . . 86 LEU CD# . 26690 1 1051 . 1 1 86 86 LEU N N 15 121.100 0.017 . 1 . . . . 86 LEU N . 26690 1 1052 . 1 1 87 87 ALA H H 1 8.424 0.004 . 1 . . . . 87 ALA H . 26690 1 1053 . 1 1 87 87 ALA HA H 1 4.588 0.002 . 1 . . . . 87 ALA HA . 26690 1 1054 . 1 1 87 87 ALA HB1 H 1 1.578 0.000 . 1 . . . . 87 ALA HB# . 26690 1 1055 . 1 1 87 87 ALA HB2 H 1 1.578 0.000 . 1 . . . . 87 ALA HB# . 26690 1 1056 . 1 1 87 87 ALA HB3 H 1 1.578 0.000 . 1 . . . . 87 ALA HB# . 26690 1 1057 . 1 1 87 87 ALA C C 13 182.433 0.000 . 1 . . . . 87 ALA C . 26690 1 1058 . 1 1 87 87 ALA CA C 13 55.000 0.034 . 1 . . . . 87 ALA CA . 26690 1 1059 . 1 1 87 87 ALA CB C 13 18.100 0.017 . 1 . . . . 87 ALA CB . 26690 1 1060 . 1 1 87 87 ALA N N 15 123.354 0.034 . 1 . . . . 87 ALA N . 26690 1 1061 . 1 1 88 88 GLN H H 1 8.300 0.005 . 1 . . . . 88 GLN H . 26690 1 1062 . 1 1 88 88 GLN HA H 1 4.122 0.006 . 1 . . . . 88 GLN HA . 26690 1 1063 . 1 1 88 88 GLN HB2 H 1 2.308 0.006 . 2 . . . . 88 GLN HB# . 26690 1 1064 . 1 1 88 88 GLN HB3 H 1 2.308 0.006 . 2 . . . . 88 GLN HB# . 26690 1 1065 . 1 1 88 88 GLN HG2 H 1 2.606 0.002 . 1 . . . . 88 GLN HG2 . 26690 1 1066 . 1 1 88 88 GLN HG3 H 1 2.508 0.003 . 1 . . . . 88 GLN HG3 . 26690 1 1067 . 1 1 88 88 GLN C C 13 177.850 0.000 . 1 . . . . 88 GLN C . 26690 1 1068 . 1 1 88 88 GLN CA C 13 58.950 0.028 . 1 . . . . 88 GLN CA . 26690 1 1069 . 1 1 88 88 GLN CB C 13 28.275 0.019 . 1 . . . . 88 GLN CB . 26690 1 1070 . 1 1 88 88 GLN CG C 13 34.185 0.018 . 1 . . . . 88 GLN CG . 26690 1 1071 . 1 1 88 88 GLN N N 15 121.130 0.020 . 1 . . . . 88 GLN N . 26690 1 1072 . 1 1 89 89 LYS H H 1 7.143 0.005 . 1 . . . . 89 LYS H . 26690 1 1073 . 1 1 89 89 LYS HA H 1 4.338 0.008 . 1 . . . . 89 LYS HA . 26690 1 1074 . 1 1 89 89 LYS HB2 H 1 2.157 0.004 . 1 . . . . 89 LYS HB2 . 26690 1 1075 . 1 1 89 89 LYS HB3 H 1 1.777 0.009 . 1 . . . . 89 LYS HB3 . 26690 1 1076 . 1 1 89 89 LYS HG2 H 1 1.488 0.009 . 2 . . . . 89 LYS HG# . 26690 1 1077 . 1 1 89 89 LYS HG3 H 1 1.488 0.009 . 2 . . . . 89 LYS HG# . 26690 1 1078 . 1 1 89 89 LYS HE2 H 1 3.151 0.002 . 2 . . . . 89 LYS HE# . 26690 1 1079 . 1 1 89 89 LYS HE3 H 1 3.151 0.002 . 2 . . . . 89 LYS HE# . 26690 1 1080 . 1 1 89 89 LYS C C 13 174.129 0.000 . 1 . . . . 89 LYS C . 26690 1 1081 . 1 1 89 89 LYS CA C 13 56.223 0.032 . 1 . . . . 89 LYS CA . 26690 1 1082 . 1 1 89 89 LYS CB C 13 33.271 0.017 . 1 . . . . 89 LYS CB . 26690 1 1083 . 1 1 89 89 LYS CG C 13 26.479 0.175 . 1 . . . . 89 LYS CG . 26690 1 1084 . 1 1 89 89 LYS CE C 13 43.311 0.022 . 1 . . . . 89 LYS CE . 26690 1 1085 . 1 1 89 89 LYS N N 15 116.562 0.022 . 1 . . . . 89 LYS N . 26690 1 1086 . 1 1 90 90 ARG H H 1 8.017 0.007 . 1 . . . . 90 ARG H . 26690 1 1087 . 1 1 90 90 ARG HA H 1 4.148 0.007 . 1 . . . . 90 ARG HA . 26690 1 1088 . 1 1 90 90 ARG HB2 H 1 1.623 0.001 . 2 . . . . 90 ARG HB# . 26690 1 1089 . 1 1 90 90 ARG HB3 H 1 1.623 0.001 . 2 . . . . 90 ARG HB# . 26690 1 1090 . 1 1 90 90 ARG HG2 H 1 2.158 0.005 . 2 . . . . 90 ARG HG# . 26690 1 1091 . 1 1 90 90 ARG HG3 H 1 2.158 0.005 . 2 . . . . 90 ARG HG# . 26690 1 1092 . 1 1 90 90 ARG HD2 H 1 3.273 0.003 . 2 . . . . 90 ARG HD# . 26690 1 1093 . 1 1 90 90 ARG HD3 H 1 3.273 0.003 . 2 . . . . 90 ARG HD# . 26690 1 1094 . 1 1 90 90 ARG C C 13 176.076 0.000 . 1 . . . . 90 ARG C . 26690 1 1095 . 1 1 90 90 ARG CA C 13 57.312 0.014 . 1 . . . . 90 ARG CA . 26690 1 1096 . 1 1 90 90 ARG CB C 13 27.776 0.021 . 1 . . . . 90 ARG CB . 26690 1 1097 . 1 1 90 90 ARG CG C 13 26.308 0.054 . 1 . . . . 90 ARG CG . 26690 1 1098 . 1 1 90 90 ARG CD C 13 43.236 0.038 . 1 . . . . 90 ARG CD . 26690 1 1099 . 1 1 90 90 ARG N N 15 111.737 0.024 . 1 . . . . 90 ARG N . 26690 1 1100 . 1 1 91 91 VAL H H 1 7.712 0.006 . 1 . . . . 91 VAL H . 26690 1 1101 . 1 1 91 91 VAL HA H 1 4.424 0.005 . 1 . . . . 91 VAL HA . 26690 1 1102 . 1 1 91 91 VAL HB H 1 2.342 0.000 . 1 . . . . 91 VAL HB . 26690 1 1103 . 1 1 91 91 VAL HG11 H 1 0.854 0.000 . 1 . . . . 91 VAL HG1# . 26690 1 1104 . 1 1 91 91 VAL HG12 H 1 0.854 0.000 . 1 . . . . 91 VAL HG1# . 26690 1 1105 . 1 1 91 91 VAL HG13 H 1 0.854 0.000 . 1 . . . . 91 VAL HG1# . 26690 1 1106 . 1 1 91 91 VAL HG21 H 1 0.577 0.000 . 1 . . . . 91 VAL HG2# . 26690 1 1107 . 1 1 91 91 VAL HG22 H 1 0.577 0.000 . 1 . . . . 91 VAL HG2# . 26690 1 1108 . 1 1 91 91 VAL HG23 H 1 0.577 0.000 . 1 . . . . 91 VAL HG2# . 26690 1 1109 . 1 1 91 91 VAL C C 13 170.558 0.000 . 1 . . . . 91 VAL C . 26690 1 1110 . 1 1 91 91 VAL CA C 13 60.565 0.023 . 1 . . . . 91 VAL CA . 26690 1 1111 . 1 1 91 91 VAL CB C 13 31.533 0.035 . 1 . . . . 91 VAL CB . 26690 1 1112 . 1 1 91 91 VAL CG1 C 13 22.201 0.003 . 1 . . . . 91 VAL CG1 . 26690 1 1113 . 1 1 91 91 VAL CG2 C 13 21.062 0.063 . 1 . . . . 91 VAL CG2 . 26690 1 1114 . 1 1 91 91 VAL N N 15 110.114 0.028 . 1 . . . . 91 VAL N . 26690 1 1115 . 1 1 92 92 LEU H H 1 6.784 0.005 . 1 . . . . 92 LEU H . 26690 1 1116 . 1 1 92 92 LEU HA H 1 4.585 0.006 . 1 . . . . 92 LEU HA . 26690 1 1117 . 1 1 92 92 LEU HB2 H 1 1.280 0.002 . 1 . . . . 92 LEU HB2 . 26690 1 1118 . 1 1 92 92 LEU HB3 H 1 1.185 0.005 . 1 . . . . 92 LEU HB3 . 26690 1 1119 . 1 1 92 92 LEU HG H 1 1.758 0.001 . 1 . . . . 92 LEU HG . 26690 1 1120 . 1 1 92 92 LEU HD11 H 1 0.859 0.000 . 1 . . . . 92 LEU HD1* . 26690 1 1121 . 1 1 92 92 LEU HD12 H 1 0.859 0.000 . 1 . . . . 92 LEU HD1* . 26690 1 1122 . 1 1 92 92 LEU HD13 H 1 0.859 0.000 . 1 . . . . 92 LEU HD1* . 26690 1 1123 . 1 1 92 92 LEU C C 13 174.626 0.000 . 1 . . . . 92 LEU C . 26690 1 1124 . 1 1 92 92 LEU CA C 13 54.408 0.000 . 1 . . . . 92 LEU CA . 26690 1 1125 . 1 1 92 92 LEU CB C 13 47.434 0.012 . 1 . . . . 92 LEU CB . 26690 1 1126 . 1 1 92 92 LEU CG C 13 27.140 0.000 . 1 . . . . 92 LEU CG . 26690 1 1127 . 1 1 92 92 LEU CD1 C 13 27.655 0.047 . 1 . . . . 92 LEU CD1 . 26690 1 1128 . 1 1 92 92 LEU CD2 C 13 26.709 0.038 . 1 . . . . 92 LEU CD2 . 26690 1 1129 . 1 1 92 92 LEU N N 15 115.608 0.021 . 1 . . . . 92 LEU N . 26690 1 1130 . 1 1 93 93 GLU H H 1 9.023 0.004 . 1 . . . . 93 GLU H . 26690 1 1131 . 1 1 93 93 GLU HA H 1 4.865 0.007 . 1 . . . . 93 GLU HA . 26690 1 1132 . 1 1 93 93 GLU HB2 H 1 2.099 0.003 . 1 . . . . 93 GLU HB2 . 26690 1 1133 . 1 1 93 93 GLU HB3 H 1 1.875 0.001 . 1 . . . . 93 GLU HB3 . 26690 1 1134 . 1 1 93 93 GLU HG2 H 1 2.154 0.004 . 1 . . . . 93 GLU HG2 . 26690 1 1135 . 1 1 93 93 GLU HG3 H 1 2.017 0.011 . 1 . . . . 93 GLU HG3 . 26690 1 1136 . 1 1 93 93 GLU C C 13 173.054 0.000 . 1 . . . . 93 GLU C . 26690 1 1137 . 1 1 93 93 GLU CA C 13 54.410 0.021 . 1 . . . . 93 GLU CA . 26690 1 1138 . 1 1 93 93 GLU CB C 13 33.600 0.018 . 1 . . . . 93 GLU CB . 26690 1 1139 . 1 1 93 93 GLU CG C 13 36.037 0.004 . 1 . . . . 93 GLU CG . 26690 1 1140 . 1 1 93 93 GLU N N 15 123.593 0.012 . 1 . . . . 93 GLU N . 26690 1 1141 . 1 1 94 94 ARG H H 1 7.753 0.005 . 1 . . . . 94 ARG H . 26690 1 1142 . 1 1 94 94 ARG HA H 1 4.567 0.007 . 1 . . . . 94 ARG HA . 26690 1 1143 . 1 1 94 94 ARG HB2 H 1 1.553 0.003 . 1 . . . . 94 ARG HB2 . 26690 1 1144 . 1 1 94 94 ARG HB3 H 1 1.484 0.006 . 1 . . . . 94 ARG HB3 . 26690 1 1145 . 1 1 94 94 ARG HG2 H 1 1.167 0.004 . 2 . . . . 94 ARG HG# . 26690 1 1146 . 1 1 94 94 ARG HG3 H 1 1.167 0.004 . 2 . . . . 94 ARG HG# . 26690 1 1147 . 1 1 94 94 ARG HD2 H 1 2.478 0.002 . 1 . . . . 94 ARG HD2 . 26690 1 1148 . 1 1 94 94 ARG HD3 H 1 1.919 0.002 . 1 . . . . 94 ARG HD3 . 26690 1 1149 . 1 1 94 94 ARG C C 13 180.169 0.000 . 1 . . . . 94 ARG C . 26690 1 1150 . 1 1 94 94 ARG CA C 13 56.958 0.019 . 1 . . . . 94 ARG CA . 26690 1 1151 . 1 1 94 94 ARG CB C 13 31.477 0.084 . 1 . . . . 94 ARG CB . 26690 1 1152 . 1 1 94 94 ARG CG C 13 26.405 0.000 . 1 . . . . 94 ARG CG . 26690 1 1153 . 1 1 94 94 ARG CD C 13 43.162 0.000 . 1 . . . . 94 ARG CD . 26690 1 1154 . 1 1 94 94 ARG N N 15 120.677 0.019 . 1 . . . . 94 ARG N . 26690 1 stop_ save_