data_26919 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26919 _Entry.Title ; 1H, 15N and 13C resonance assignments and secondary structure of PulG, the major pseudopilin from Klebsiella oxytoca Type 2 Secretion System ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-10-19 _Entry.Accession_date 2016-10-19 _Entry.Last_release_date 2016-10-19 _Entry.Original_release_date 2016-10-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 Aracelys Lopez-Castilla . . . . 26919 2 Bruno Vitorge . . . . 26919 3 Lea Khoury . . . . 26919 4 Nelly Morellet . . . . 26919 5 Olivera Francetic . . . . 26919 6 Nadia Izadi-Pruneyre . . . . 26919 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' . 26919 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institut de Chimie des Substances Naturelles' . 26919 2 . 'Unite de RMN des Biomolecules' . 26919 3 . 'Laboratoire des Systemes Macromoleculaires et Signalisation' . 26919 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26919 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 421 26919 '15N chemical shifts' 103 26919 '1H chemical shifts' 630 26919 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-04-13 2016-10-19 update BMRB 'update entry citation' 26919 1 . . 2017-04-26 2016-10-19 original author 'original release' 26919 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26919 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28258547 _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C resonance assignments and secondary structure of PulG, the major pseudopilin from Klebsiella oxytoca type 2 secretion system ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _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 155 _Citation.Page_last 158 _Citation.Year 2017 _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 Aracelys Lopez-Castilla . . . . 26919 1 2 Bruno Vitorge . . . . 26919 1 3 Lea Khoury . . . . 26919 1 4 Nelly Morellet . . . . 26919 1 5 Olivera Francetic . . . . 26919 1 6 Nadia Izadi-Pruneyre . . . . 26919 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Klebsiella oxytoca' 26919 1 NMR 26919 1 PulG 26919 1 'Type II secretion system' 26919 1 'chemical shift assignments' 26919 1 'major pseudopilin' 26919 1 'secondary structure' 26919 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26919 _Assembly.ID 1 _Assembly.Name PulG _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 12912.1838 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PulG 1 $PulG A . yes native no no . . . 26919 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PulG _Entity.Sf_category entity _Entity.Sf_framecode PulG _Entity.Entry_ID 26919 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PulG _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGNKEKADRQKVVSDLVALE GALDMYKLDNSRYPTTEQGL QALVSAPSAEPHARNYPEGG YIRRLPQDPWGSDYQLLSPG QHGQVDIFSLGPDGVPESND DIGNWTIGFHHHHHHK ; _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 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12912.1838 _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 . 26919 1 2 . GLY . 26919 1 3 . ASN . 26919 1 4 . LYS . 26919 1 5 . GLU . 26919 1 6 . LYS . 26919 1 7 . ALA . 26919 1 8 . ASP . 26919 1 9 . ARG . 26919 1 10 . GLN . 26919 1 11 . LYS . 26919 1 12 . VAL . 26919 1 13 . VAL . 26919 1 14 . SER . 26919 1 15 . ASP . 26919 1 16 . LEU . 26919 1 17 . VAL . 26919 1 18 . ALA . 26919 1 19 . LEU . 26919 1 20 . GLU . 26919 1 21 . GLY . 26919 1 22 . ALA . 26919 1 23 . LEU . 26919 1 24 . ASP . 26919 1 25 . MET . 26919 1 26 . TYR . 26919 1 27 . LYS . 26919 1 28 . LEU . 26919 1 29 . ASP . 26919 1 30 . ASN . 26919 1 31 . SER . 26919 1 32 . ARG . 26919 1 33 . TYR . 26919 1 34 . PRO . 26919 1 35 . THR . 26919 1 36 . THR . 26919 1 37 . GLU . 26919 1 38 . GLN . 26919 1 39 . GLY . 26919 1 40 . LEU . 26919 1 41 . GLN . 26919 1 42 . ALA . 26919 1 43 . LEU . 26919 1 44 . VAL . 26919 1 45 . SER . 26919 1 46 . ALA . 26919 1 47 . PRO . 26919 1 48 . SER . 26919 1 49 . ALA . 26919 1 50 . GLU . 26919 1 51 . PRO . 26919 1 52 . HIS . 26919 1 53 . ALA . 26919 1 54 . ARG . 26919 1 55 . ASN . 26919 1 56 . TYR . 26919 1 57 . PRO . 26919 1 58 . GLU . 26919 1 59 . GLY . 26919 1 60 . GLY . 26919 1 61 . TYR . 26919 1 62 . ILE . 26919 1 63 . ARG . 26919 1 64 . ARG . 26919 1 65 . LEU . 26919 1 66 . PRO . 26919 1 67 . GLN . 26919 1 68 . ASP . 26919 1 69 . PRO . 26919 1 70 . TRP . 26919 1 71 . GLY . 26919 1 72 . SER . 26919 1 73 . ASP . 26919 1 74 . TYR . 26919 1 75 . GLN . 26919 1 76 . LEU . 26919 1 77 . LEU . 26919 1 78 . SER . 26919 1 79 . PRO . 26919 1 80 . GLY . 26919 1 81 . GLN . 26919 1 82 . HIS . 26919 1 83 . GLY . 26919 1 84 . GLN . 26919 1 85 . VAL . 26919 1 86 . ASP . 26919 1 87 . ILE . 26919 1 88 . PHE . 26919 1 89 . SER . 26919 1 90 . LEU . 26919 1 91 . GLY . 26919 1 92 . PRO . 26919 1 93 . ASP . 26919 1 94 . GLY . 26919 1 95 . VAL . 26919 1 96 . PRO . 26919 1 97 . GLU . 26919 1 98 . SER . 26919 1 99 . ASN . 26919 1 100 . ASP . 26919 1 101 . ASP . 26919 1 102 . ILE . 26919 1 103 . GLY . 26919 1 104 . ASN . 26919 1 105 . TRP . 26919 1 106 . THR . 26919 1 107 . ILE . 26919 1 108 . GLY . 26919 1 109 . PHE . 26919 1 110 . HIS . 26919 1 111 . HIS . 26919 1 112 . HIS . 26919 1 113 . HIS . 26919 1 114 . HIS . 26919 1 115 . HIS . 26919 1 116 . LYS . 26919 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 26919 1 . GLY 2 2 26919 1 . ASN 3 3 26919 1 . LYS 4 4 26919 1 . GLU 5 5 26919 1 . LYS 6 6 26919 1 . ALA 7 7 26919 1 . ASP 8 8 26919 1 . ARG 9 9 26919 1 . GLN 10 10 26919 1 . LYS 11 11 26919 1 . VAL 12 12 26919 1 . VAL 13 13 26919 1 . SER 14 14 26919 1 . ASP 15 15 26919 1 . LEU 16 16 26919 1 . VAL 17 17 26919 1 . ALA 18 18 26919 1 . LEU 19 19 26919 1 . GLU 20 20 26919 1 . GLY 21 21 26919 1 . ALA 22 22 26919 1 . LEU 23 23 26919 1 . ASP 24 24 26919 1 . MET 25 25 26919 1 . TYR 26 26 26919 1 . LYS 27 27 26919 1 . LEU 28 28 26919 1 . ASP 29 29 26919 1 . ASN 30 30 26919 1 . SER 31 31 26919 1 . ARG 32 32 26919 1 . TYR 33 33 26919 1 . PRO 34 34 26919 1 . THR 35 35 26919 1 . THR 36 36 26919 1 . GLU 37 37 26919 1 . GLN 38 38 26919 1 . GLY 39 39 26919 1 . LEU 40 40 26919 1 . GLN 41 41 26919 1 . ALA 42 42 26919 1 . LEU 43 43 26919 1 . VAL 44 44 26919 1 . SER 45 45 26919 1 . ALA 46 46 26919 1 . PRO 47 47 26919 1 . SER 48 48 26919 1 . ALA 49 49 26919 1 . GLU 50 50 26919 1 . PRO 51 51 26919 1 . HIS 52 52 26919 1 . ALA 53 53 26919 1 . ARG 54 54 26919 1 . ASN 55 55 26919 1 . TYR 56 56 26919 1 . PRO 57 57 26919 1 . GLU 58 58 26919 1 . GLY 59 59 26919 1 . GLY 60 60 26919 1 . TYR 61 61 26919 1 . ILE 62 62 26919 1 . ARG 63 63 26919 1 . ARG 64 64 26919 1 . LEU 65 65 26919 1 . PRO 66 66 26919 1 . GLN 67 67 26919 1 . ASP 68 68 26919 1 . PRO 69 69 26919 1 . TRP 70 70 26919 1 . GLY 71 71 26919 1 . SER 72 72 26919 1 . ASP 73 73 26919 1 . TYR 74 74 26919 1 . GLN 75 75 26919 1 . LEU 76 76 26919 1 . LEU 77 77 26919 1 . SER 78 78 26919 1 . PRO 79 79 26919 1 . GLY 80 80 26919 1 . GLN 81 81 26919 1 . HIS 82 82 26919 1 . GLY 83 83 26919 1 . GLN 84 84 26919 1 . VAL 85 85 26919 1 . ASP 86 86 26919 1 . ILE 87 87 26919 1 . PHE 88 88 26919 1 . SER 89 89 26919 1 . LEU 90 90 26919 1 . GLY 91 91 26919 1 . PRO 92 92 26919 1 . ASP 93 93 26919 1 . GLY 94 94 26919 1 . VAL 95 95 26919 1 . PRO 96 96 26919 1 . GLU 97 97 26919 1 . SER 98 98 26919 1 . ASN 99 99 26919 1 . ASP 100 100 26919 1 . ASP 101 101 26919 1 . ILE 102 102 26919 1 . GLY 103 103 26919 1 . ASN 104 104 26919 1 . TRP 105 105 26919 1 . THR 106 106 26919 1 . ILE 107 107 26919 1 . GLY 108 108 26919 1 . PHE 109 109 26919 1 . HIS 110 110 26919 1 . HIS 111 111 26919 1 . HIS 112 112 26919 1 . HIS 113 113 26919 1 . HIS 114 114 26919 1 . HIS 115 115 26919 1 . LYS 116 116 26919 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26919 _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 $PulG . 571 organism . 'Klebsiella oxytoca' 'Klebsiella pneumoniae' . . Bacteria . Klebsiella oxytoca . . . . . . . . . . . . . 26919 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 26919 _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 $PulG . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21 . . . . . pCHAP7013 . . . 26919 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26919 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'in 50 mM HEPES pH 7 50 mM 1 mM CaCl2' _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 PulG '[U-99% 13C; U-99% 15N]' . . 1 $PulG . . 0.6 . . mM . . . . 26919 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 26919 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26919 1 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 26919 1 5 CaCl2 'natural abundance' . . . . . . 1.2 . . mM . . . . 26919 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26919 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'in 50 mM HEPES pH 7 50 mM 1 mM CaCl2' _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 PulG '[U-99% 13C; U-99% 15N]' . . 1 $PulG . . 0.6 . . mM . . . . 26919 2 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 26919 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26919 2 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 26919 2 5 CaCl2 'natural abundance' . . . . . . 1.2 . . mM . . . . 26919 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26919 _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' 0.100 . M 26919 1 pH 7.000 . pH 26919 1 pressure 1.000 . atm 26919 1 temperature 298.000 . K 26919 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 26919 _Software.ID 1 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 26919 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra analysis' 26919 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26919 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version unknown _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A' . . 26919 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Processing 26919 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26919 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26919 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26919 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian _NMR_spectrometer.Entry_ID 26919 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Bruker _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker _NMR_spectrometer.Entry_ID 26919 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26919 _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 Varian Varian UnityInova . 600 . . . 26919 1 2 Bruker Bruker Avance . 950 . . . 26919 1 stop_ save_ save_Cryo_600 _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode Cryo_600 _NMR_spectrometer_probe.Entry_ID 26919 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Varian _NMR_spectrometer_probe.Model '1H{13C/15N} PFG' _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter 0.5 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 26919 1 stop_ save_ save_Cryo_950 _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode Cryo_950 _NMR_spectrometer_probe.Entry_ID 26919 _NMR_spectrometer_probe.ID 2 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model TCI _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter 0.5 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 26919 2 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26919 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian 1 $Cryo_600 . . . . . . . . . . . . . . 26919 1 2 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian 1 $Cryo_600 . . . . . . . . . . . . . . 26919 1 3 '1046_cbcaconh (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian 1 $Cryo_600 . . . . . . . . . . . . . . 26919 1 4 '1048_hncaco (H[N[ca[CO]]])' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian 1 $Cryo_600 . . . . . . . . . . . . . . 26919 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian 1 $Cryo_600 . . . . . . . . . . . . . . 26919 1 6 '1059_c_co_nh (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian 1 $Cryo_600 . . . . . . . . . . . . . . 26919 1 7 '1061_hcconh (HccoNH)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian 1 $Cryo_600 . . . . . . . . . . . . . . 26919 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian 1 $Cryo_600 . . . . . . . . . . . . . . 26919 1 9 '2D 1H-13C HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian 1 $Cryo_600 . . . . . . . . . . . . . . 26919 1 10 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker 2 $Cryo_950 . . . . . . . . . . . . . . 26919 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian 1 $Cryo_600 . . . . . . . . . . . . . . 26919 1 12 '1063_hbcbcgcdhd (hbCBcgcdHD)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian 1 $Cryo_600 . . . . . . . . . . . . . . 26919 1 13 '1062_hbcbcgcdcehe (hbCBcgcdceHE)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian 1 $Cryo_600 . . . . . . . . . . . . . . 26919 1 14 '2D 1H-13C HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian 1 $Cryo_600 . . . . . . . . . . . . . . 26919 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 26919 _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 . . . . . 26919 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26919 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26919 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 26919 _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 '3D HNCACB' 1 $sample_1 isotropic 26919 1 2 '2D 1H-15N HSQC/HMQC' 1 $sample_1 isotropic 26919 1 3 '1046_cbcaconh (H[N[co[{CA|ca[C]}]]])' 1 $sample_1 isotropic 26919 1 4 '1048_hncaco (H[N[ca[CO]]])' 1 $sample_1 isotropic 26919 1 5 '3D HNCO' 1 $sample_1 isotropic 26919 1 6 '1059_c_co_nh (H[N[co[{CA|ca[C]}]]])' 1 $sample_1 isotropic 26919 1 7 '1061_hcconh (HccoNH)' 1 $sample_1 isotropic 26919 1 8 '3D HCCH-TOCSY' 1 $sample_1 isotropic 26919 1 9 '2D 1H-13C HSQC/HMQC' 1 $sample_1 isotropic 26919 1 12 '1063_hbcbcgcdhd (hbCBcgcdHD)' 1 $sample_1 isotropic 26919 1 13 '1062_hbcbcgcdcehe (hbCBcgcdceHE)' 1 $sample_1 isotropic 26919 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 26919 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 LYS C C 13 177.301 0.03 . 1 . . 506 . . 4 LYS C . 26919 1 2 . 1 1 5 5 GLU H H 1 8.322 0.003 . 1 . . 197 . . 5 GLU H . 26919 1 3 . 1 1 5 5 GLU HA H 1 4.218 0.006 . 1 . . 626 . . 5 GLU HA . 26919 1 4 . 1 1 5 5 GLU HB2 H 1 2.032 0.005 . 1 . . 628 . . 5 GLU HB2 . 26919 1 5 . 1 1 5 5 GLU HB3 H 1 2.032 0.005 . 1 . . 904 . . 5 GLU HB3 . 26919 1 6 . 1 1 5 5 GLU HG2 H 1 2.439 0.003 . 1 . . 627 . . 5 GLU HG2 . 26919 1 7 . 1 1 5 5 GLU HG3 H 1 2.439 0.003 . 1 . . 905 . . 5 GLU HG3 . 26919 1 8 . 1 1 5 5 GLU C C 13 179.505 0.03 . 1 . . 505 . . 5 GLU C . 26919 1 9 . 1 1 5 5 GLU CA C 13 59.850 0.019 . 1 . . 389 . . 5 GLU CA . 26919 1 10 . 1 1 5 5 GLU CB C 13 29.221 0.035 . 1 . . 390 . . 5 GLU CB . 26919 1 11 . 1 1 5 5 GLU CG C 13 36.945 0.008 . 1 . . 516 . . 5 GLU CG . 26919 1 12 . 1 1 5 5 GLU N N 15 119.326 0.075 . 1 . . 198 . . 5 GLU N . 26919 1 13 . 1 1 6 6 LYS H H 1 8.079 0.003 . 1 . . 184 . . 6 LYS H . 26919 1 14 . 1 1 6 6 LYS HA H 1 4.051 0.005 . 1 . . 711 . . 6 LYS HA . 26919 1 15 . 1 1 6 6 LYS HB2 H 1 1.845 0.005 . 1 . . 710 . . 6 LYS HB2 . 26919 1 16 . 1 1 6 6 LYS HB3 H 1 1.845 0.005 . 1 . . 906 . . 6 LYS HB3 . 26919 1 17 . 1 1 6 6 LYS HG2 H 1 1.658 0.013 . 1 . . 887 . . 6 LYS HG2 . 26919 1 18 . 1 1 6 6 LYS HG3 H 1 1.658 0.013 . 1 . . 907 . . 6 LYS HG3 . 26919 1 19 . 1 1 6 6 LYS C C 13 178.720 0.016 . 1 . . 464 . . 6 LYS C . 26919 1 20 . 1 1 6 6 LYS CA C 13 59.529 0.001 . 1 . . 186 . . 6 LYS CA . 26919 1 21 . 1 1 6 6 LYS CB C 13 32.716 0.038 . 1 . . 333 . . 6 LYS CB . 26919 1 22 . 1 1 6 6 LYS CG C 13 25.343 0.047 . 1 . . 542 . . 6 LYS CG . 26919 1 23 . 1 1 6 6 LYS CD C 13 29.540 0.03 . 1 . . 586 . . 6 LYS CD . 26919 1 24 . 1 1 6 6 LYS N N 15 119.537 0.04 . 1 . . 185 . . 6 LYS N . 26919 1 25 . 1 1 7 7 ALA H H 1 7.995 0.002 . 1 . . 263 . . 7 ALA H . 26919 1 26 . 1 1 7 7 ALA HA H 1 4.135 0.005 . 1 . . 657 . . 7 ALA HA . 26919 1 27 . 1 1 7 7 ALA HB1 H 1 1.475 0.001 . 1 . . 658 . . 7 ALA HB1 . 26919 1 28 . 1 1 7 7 ALA HB2 H 1 1.475 0.001 . 1 . . 658 . . 7 ALA HB2 . 26919 1 29 . 1 1 7 7 ALA HB3 H 1 1.475 0.001 . 1 . . 658 . . 7 ALA HB3 . 26919 1 30 . 1 1 7 7 ALA C C 13 180.853 0.012 . 1 . . 490 . . 7 ALA C . 26919 1 31 . 1 1 7 7 ALA CA C 13 54.983 0.005 . 1 . . 265 . . 7 ALA CA . 26919 1 32 . 1 1 7 7 ALA CB C 13 18.045 0.039 . 1 . . 353 . . 7 ALA CB . 26919 1 33 . 1 1 7 7 ALA N N 15 123.468 0.064 . 1 . . 264 . . 7 ALA N . 26919 1 34 . 1 1 8 8 ASP H H 1 8.748 0.003 . 1 . . 167 . . 8 ASP H . 26919 1 35 . 1 1 8 8 ASP HA H 1 4.225 0.002 . 1 . . 864 . . 8 ASP HA . 26919 1 36 . 1 1 8 8 ASP HB2 H 1 2.256 0.002 . 2 . . 863 . . 8 ASP HB2 . 26919 1 37 . 1 1 8 8 ASP HB3 H 1 2.868 0.005 . 2 . . 900 . . 8 ASP HB3 . 26919 1 38 . 1 1 8 8 ASP C C 13 178.044 0.02 . 1 . . 459 . . 8 ASP C . 26919 1 39 . 1 1 8 8 ASP CA C 13 57.222 0.014 . 1 . . 169 . . 8 ASP CA . 26919 1 40 . 1 1 8 8 ASP CB C 13 39.917 0.065 . 1 . . 328 . . 8 ASP CB . 26919 1 41 . 1 1 8 8 ASP N N 15 121.273 0.027 . 1 . . 168 . . 8 ASP N . 26919 1 42 . 1 1 9 9 ARG H H 1 7.994 0.004 . 1 . . 54 . . 9 ARG H . 26919 1 43 . 1 1 9 9 ARG HA H 1 3.962 0.005 . 1 . . 807 . . 9 ARG HA . 26919 1 44 . 1 1 9 9 ARG HB2 H 1 1.976 0.0 . 1 . . 867 . . 9 ARG HB2 . 26919 1 45 . 1 1 9 9 ARG HB3 H 1 1.976 0.0 . 1 . . 908 . . 9 ARG HB3 . 26919 1 46 . 1 1 9 9 ARG HG2 H 1 1.761 0.005 . 1 . . 866 . . 9 ARG HG2 . 26919 1 47 . 1 1 9 9 ARG HG3 H 1 1.761 0.005 . 1 . . 910 . . 9 ARG HG3 . 26919 1 48 . 1 1 9 9 ARG HD2 H 1 3.202 0.0 . 1 . . 865 . . 9 ARG HD2 . 26919 1 49 . 1 1 9 9 ARG HD3 H 1 3.202 0.0 . 1 . . 909 . . 9 ARG HD3 . 26919 1 50 . 1 1 9 9 ARG C C 13 177.996 0.048 . 1 . . 444 . . 9 ARG C . 26919 1 51 . 1 1 9 9 ARG CA C 13 59.911 0.001 . 1 . . 402 . . 9 ARG CA . 26919 1 52 . 1 1 9 9 ARG CB C 13 29.332 0.039 . 1 . . 403 . . 9 ARG CB . 26919 1 53 . 1 1 9 9 ARG CG C 13 28.560 0.015 . 1 . . 569 . . 9 ARG CG . 26919 1 54 . 1 1 9 9 ARG CD C 13 43.013 0.041 . 1 . . 568 . . 9 ARG CD . 26919 1 55 . 1 1 9 9 ARG N N 15 119.268 0.037 . 1 . . 55 . . 9 ARG N . 26919 1 56 . 1 1 10 10 GLN H H 1 8.021 0.004 . 1 . . 260 . . 10 GLN H . 26919 1 57 . 1 1 10 10 GLN HA H 1 3.982 0.005 . 1 . . 641 . . 10 GLN HA . 26919 1 58 . 1 1 10 10 GLN HB2 H 1 2.199 0.005 . 2 . . 640 . . 10 GLN HB2 . 26919 1 59 . 1 1 10 10 GLN HB3 H 1 2.098 0.005 . 2 . . 888 . . 10 GLN HB3 . 26919 1 60 . 1 1 10 10 GLN HG2 H 1 2.390 0.001 . 2 . . 642 . . 10 GLN HG2 . 26919 1 61 . 1 1 10 10 GLN HG3 H 1 2.482 0.005 . 2 . . 643 . . 10 GLN HG3 . 26919 1 62 . 1 1 10 10 GLN C C 13 178.552 0.03 . 1 . . 489 . . 10 GLN C . 26919 1 63 . 1 1 10 10 GLN CA C 13 58.636 0.013 . 1 . . 262 . . 10 GLN CA . 26919 1 64 . 1 1 10 10 GLN CB C 13 28.173 0.054 . 1 . . 352 . . 10 GLN CB . 26919 1 65 . 1 1 10 10 GLN CG C 13 34.090 0.028 . 1 . . 521 . . 10 GLN CG . 26919 1 66 . 1 1 10 10 GLN N N 15 117.526 0.051 . 1 . . 261 . . 10 GLN N . 26919 1 67 . 1 1 11 11 LYS H H 1 7.865 0.002 . 1 . . 281 . . 11 LYS H . 26919 1 68 . 1 1 11 11 LYS HA H 1 4.073 0.034 . 1 . . 681 . . 11 LYS HA . 26919 1 69 . 1 1 11 11 LYS HB2 H 1 1.980 0.008 . 2 . . 683 . . 11 LYS HB2 . 26919 1 70 . 1 1 11 11 LYS HB3 H 1 1.890 0.003 . 2 . . 682 . . 11 LYS HB3 . 26919 1 71 . 1 1 11 11 LYS HG2 H 1 1.527 0.007 . 1 . . 889 . . 11 LYS HG2 . 26919 1 72 . 1 1 11 11 LYS HG3 H 1 1.527 0.007 . 1 . . 911 . . 11 LYS HG3 . 26919 1 73 . 1 1 11 11 LYS C C 13 177.525 0.03 . 1 . . 496 . . 11 LYS C . 26919 1 74 . 1 1 11 11 LYS CA C 13 59.185 0.097 . 1 . . 98 . . 11 LYS CA . 26919 1 75 . 1 1 11 11 LYS CB C 13 31.784 0.09 . 1 . . 358 . . 11 LYS CB . 26919 1 76 . 1 1 11 11 LYS CG C 13 25.421 0.034 . 1 . . 531 . . 11 LYS CG . 26919 1 77 . 1 1 11 11 LYS N N 15 122.065 0.198 . 1 . . 282 . . 11 LYS N . 26919 1 78 . 1 1 12 12 VAL H H 1 7.784 0.003 . 1 . . 95 . . 12 VAL H . 26919 1 79 . 1 1 12 12 VAL HA H 1 4.242 0.008 . 1 . . 843 . . 12 VAL HA . 26919 1 80 . 1 1 12 12 VAL HB H 1 2.357 0.005 . 1 . . 890 . . 12 VAL HB . 26919 1 81 . 1 1 12 12 VAL HG11 H 1 1.188 0.006 . 2 . . 844 . . 12 VAL HG11 . 26919 1 82 . 1 1 12 12 VAL HG12 H 1 1.188 0.006 . 2 . . 844 . . 12 VAL HG12 . 26919 1 83 . 1 1 12 12 VAL HG13 H 1 1.188 0.006 . 2 . . 844 . . 12 VAL HG13 . 26919 1 84 . 1 1 12 12 VAL HG21 H 1 1.328 0.008 . 2 . . 891 . . 12 VAL HG21 . 26919 1 85 . 1 1 12 12 VAL HG22 H 1 1.328 0.008 . 2 . . 891 . . 12 VAL HG22 . 26919 1 86 . 1 1 12 12 VAL HG23 H 1 1.328 0.008 . 2 . . 891 . . 12 VAL HG23 . 26919 1 87 . 1 1 12 12 VAL C C 13 177.784 0.03 . 1 . . 433 . . 12 VAL C . 26919 1 88 . 1 1 12 12 VAL CA C 13 65.681 0.023 . 1 . . 97 . . 12 VAL CA . 26919 1 89 . 1 1 12 12 VAL CB C 13 31.741 0.08 . 1 . . 308 . . 12 VAL CB . 26919 1 90 . 1 1 12 12 VAL CG1 C 13 22.483 0.009 . 2 . . 579 . . 12 VAL CG1 . 26919 1 91 . 1 1 12 12 VAL CG2 C 13 23.990 0.006 . 2 . . 578 . . 12 VAL CG2 . 26919 1 92 . 1 1 12 12 VAL N N 15 118.484 0.033 . 1 . . 96 . . 12 VAL N . 26919 1 93 . 1 1 13 13 VAL H H 1 8.167 0.006 . 1 . . 150 . . 13 VAL H . 26919 1 94 . 1 1 13 13 VAL HA H 1 3.353 0.005 . 1 . . 801 . . 13 VAL HA . 26919 1 95 . 1 1 13 13 VAL HB H 1 2.066 0.002 . 1 . . 892 . . 13 VAL HB . 26919 1 96 . 1 1 13 13 VAL HG11 H 1 0.830 0.017 . 2 . . 868 . . 13 VAL HG11 . 26919 1 97 . 1 1 13 13 VAL HG12 H 1 0.830 0.017 . 2 . . 868 . . 13 VAL HG12 . 26919 1 98 . 1 1 13 13 VAL HG13 H 1 0.830 0.017 . 2 . . 868 . . 13 VAL HG13 . 26919 1 99 . 1 1 13 13 VAL HG21 H 1 0.981 0.011 . 2 . . 893 . . 13 VAL HG21 . 26919 1 100 . 1 1 13 13 VAL HG22 H 1 0.981 0.011 . 2 . . 893 . . 13 VAL HG22 . 26919 1 101 . 1 1 13 13 VAL HG23 H 1 0.981 0.011 . 2 . . 893 . . 13 VAL HG23 . 26919 1 102 . 1 1 13 13 VAL C C 13 177.199 0.03 . 1 . . 453 . . 13 VAL C . 26919 1 103 . 1 1 13 13 VAL CA C 13 67.802 0.032 . 1 . . 152 . . 13 VAL CA . 26919 1 104 . 1 1 13 13 VAL CB C 13 31.527 0.027 . 1 . . 306 . . 13 VAL CB . 26919 1 105 . 1 1 13 13 VAL CG1 C 13 22.808 0.03 . 2 . . 587 . . 13 VAL CG1 . 26919 1 106 . 1 1 13 13 VAL CG2 C 13 20.849 0.03 . 2 . . 592 . . 13 VAL CG2 . 26919 1 107 . 1 1 13 13 VAL N N 15 118.014 0.044 . 1 . . 151 . . 13 VAL N . 26919 1 108 . 1 1 14 14 SER H H 1 7.974 0.002 . 1 . . 89 . . 14 SER H . 26919 1 109 . 1 1 14 14 SER HA H 1 4.037 0.004 . 1 . . 894 . . 14 SER HA . 26919 1 110 . 1 1 14 14 SER HB2 H 1 3.988 0.0 . 1 . . 629 . . 14 SER HB2 . 26919 1 111 . 1 1 14 14 SER HB3 H 1 3.988 0.0 . 1 . . 912 . . 14 SER HB3 . 26919 1 112 . 1 1 14 14 SER C C 13 177.695 0.03 . 1 . . 431 . . 14 SER C . 26919 1 113 . 1 1 14 14 SER CA C 13 62.006 0.094 . 1 . . 91 . . 14 SER CA . 26919 1 114 . 1 1 14 14 SER CB C 13 62.963 0.029 . 1 . . 363 . . 14 SER CB . 26919 1 115 . 1 1 14 14 SER N N 15 113.169 0.061 . 1 . . 90 . . 14 SER N . 26919 1 116 . 1 1 15 15 ASP H H 1 8.690 0.002 . 1 . . 40 . . 15 ASP H . 26919 1 117 . 1 1 15 15 ASP HA H 1 4.279 0.004 . 1 . . 833 . . 15 ASP HA . 26919 1 118 . 1 1 15 15 ASP HB2 H 1 2.996 0.001 . 2 . . 834 . . 15 ASP HB2 . 26919 1 119 . 1 1 15 15 ASP HB3 H 1 1.810 0.002 . 2 . . 835 . . 15 ASP HB3 . 26919 1 120 . 1 1 15 15 ASP C C 13 177.917 0.03 . 1 . . 417 . . 15 ASP C . 26919 1 121 . 1 1 15 15 ASP CA C 13 57.235 0.031 . 1 . . 42 . . 15 ASP CA . 26919 1 122 . 1 1 15 15 ASP CB C 13 38.487 0.038 . 1 . . 292 . . 15 ASP CB . 26919 1 123 . 1 1 15 15 ASP N N 15 124.564 0.022 . 1 . . 41 . . 15 ASP N . 26919 1 124 . 1 1 16 16 LEU H H 1 8.770 0.014 . 1 . . 35 . . 16 LEU H . 26919 1 125 . 1 1 16 16 LEU HA H 1 3.632 0.003 . 1 . . 735 . . 16 LEU HA . 26919 1 126 . 1 1 16 16 LEU HB2 H 1 2.027 0.007 . 1 . . 736 . . 16 LEU HB2 . 26919 1 127 . 1 1 16 16 LEU HB3 H 1 2.027 0.007 . 1 . . 913 . . 16 LEU HB3 . 26919 1 128 . 1 1 16 16 LEU HD11 H 1 0.480 0.006 . 1 . . 737 . . 16 LEU HD11 . 26919 1 129 . 1 1 16 16 LEU HD12 H 1 0.480 0.006 . 1 . . 737 . . 16 LEU HD12 . 26919 1 130 . 1 1 16 16 LEU HD13 H 1 0.480 0.006 . 1 . . 737 . . 16 LEU HD13 . 26919 1 131 . 1 1 16 16 LEU HD21 H 1 0.480 0.006 . 1 . . 914 . . 16 LEU HD21 . 26919 1 132 . 1 1 16 16 LEU HD22 H 1 0.480 0.006 . 1 . . 914 . . 16 LEU HD22 . 26919 1 133 . 1 1 16 16 LEU HD23 H 1 0.480 0.006 . 1 . . 914 . . 16 LEU HD23 . 26919 1 134 . 1 1 16 16 LEU C C 13 179.626 0.019 . 1 . . 416 . . 16 LEU C . 26919 1 135 . 1 1 16 16 LEU CA C 13 58.431 0.071 . 1 . . 37 . . 16 LEU CA . 26919 1 136 . 1 1 16 16 LEU CB C 13 41.912 0.026 . 1 . . 291 . . 16 LEU CB . 26919 1 137 . 1 1 16 16 LEU CG C 13 26.291 0.03 . 1 . . 550 . . 16 LEU CG . 26919 1 138 . 1 1 16 16 LEU CD1 C 13 23.023 0.041 . 1 . . 595 . . 16 LEU CD1 . 26919 1 139 . 1 1 16 16 LEU CD2 C 13 23.023 0.041 . 1 . . 596 . . 16 LEU CD2 . 26919 1 140 . 1 1 16 16 LEU N N 15 119.799 0.041 . 1 . . 36 . . 16 LEU N . 26919 1 141 . 1 1 17 17 VAL H H 1 8.348 0.012 . 1 . . 194 . . 17 VAL H . 26919 1 142 . 1 1 17 17 VAL HA H 1 3.630 0.023 . 1 . . 630 . . 17 VAL HA . 26919 1 143 . 1 1 17 17 VAL HB H 1 2.072 0.005 . 1 . . 631 . . 17 VAL HB . 26919 1 144 . 1 1 17 17 VAL HG11 H 1 0.914 0.005 . 1 . . 632 . . 17 VAL HG11 . 26919 1 145 . 1 1 17 17 VAL HG12 H 1 0.914 0.005 . 1 . . 632 . . 17 VAL HG12 . 26919 1 146 . 1 1 17 17 VAL HG13 H 1 0.914 0.005 . 1 . . 632 . . 17 VAL HG13 . 26919 1 147 . 1 1 17 17 VAL HG21 H 1 0.914 0.005 . 1 . . 915 . . 17 VAL HG21 . 26919 1 148 . 1 1 17 17 VAL HG22 H 1 0.914 0.005 . 1 . . 915 . . 17 VAL HG22 . 26919 1 149 . 1 1 17 17 VAL HG23 H 1 0.914 0.005 . 1 . . 915 . . 17 VAL HG23 . 26919 1 150 . 1 1 17 17 VAL C C 13 179.511 0.03 . 1 . . 508 . . 17 VAL C . 26919 1 151 . 1 1 17 17 VAL CA C 13 66.727 0.06 . 1 . . 400 . . 17 VAL CA . 26919 1 152 . 1 1 17 17 VAL CB C 13 31.868 0.03 . 1 . . 401 . . 17 VAL CB . 26919 1 153 . 1 1 17 17 VAL CG1 C 13 21.181 0.03 . 2 . . 518 . . 17 VAL CG1 . 26919 1 154 . 1 1 17 17 VAL CG2 C 13 23.048 0.03 . 2 . . 517 . . 17 VAL CG2 . 26919 1 155 . 1 1 17 17 VAL N N 15 119.598 0.202 . 1 . . 196 . . 17 VAL N . 26919 1 156 . 1 1 18 18 ALA H H 1 7.858 0.016 . 1 . . 244 . . 18 ALA H . 26919 1 157 . 1 1 18 18 ALA HA H 1 4.159 0.005 . 1 . . 749 . . 18 ALA HA . 26919 1 158 . 1 1 18 18 ALA HB1 H 1 1.527 0.0 . 1 . . 750 . . 18 ALA HB1 . 26919 1 159 . 1 1 18 18 ALA HB2 H 1 1.527 0.0 . 1 . . 750 . . 18 ALA HB2 . 26919 1 160 . 1 1 18 18 ALA HB3 H 1 1.527 0.0 . 1 . . 750 . . 18 ALA HB3 . 26919 1 161 . 1 1 18 18 ALA C C 13 181.784 0.017 . 1 . . 484 . . 18 ALA C . 26919 1 162 . 1 1 18 18 ALA CA C 13 55.088 0.018 . 1 . . 246 . . 18 ALA CA . 26919 1 163 . 1 1 18 18 ALA CB C 13 17.856 0.045 . 1 . . 349 . . 18 ALA CB . 26919 1 164 . 1 1 18 18 ALA N N 15 124.242 0.152 . 1 . . 245 . . 18 ALA N . 26919 1 165 . 1 1 19 19 LEU H H 1 8.622 0.005 . 1 . . 9 . . 19 LEU H . 26919 1 166 . 1 1 19 19 LEU HA H 1 3.875 0.005 . 1 . . 623 . . 19 LEU HA . 26919 1 167 . 1 1 19 19 LEU HB2 H 1 0.942 0.003 . 2 . . 625 . . 19 LEU HB2 . 26919 1 168 . 1 1 19 19 LEU HB3 H 1 1.904 0.002 . 2 . . 624 . . 19 LEU HB3 . 26919 1 169 . 1 1 19 19 LEU HD11 H 1 0.679 0.005 . 2 . . 622 . . 19 LEU HD11 . 26919 1 170 . 1 1 19 19 LEU HD12 H 1 0.679 0.005 . 2 . . 622 . . 19 LEU HD12 . 26919 1 171 . 1 1 19 19 LEU HD13 H 1 0.679 0.005 . 2 . . 622 . . 19 LEU HD13 . 26919 1 172 . 1 1 19 19 LEU HD21 H 1 0.313 0.0 . 2 . . 895 . . 19 LEU HD21 . 26919 1 173 . 1 1 19 19 LEU HD22 H 1 0.313 0.0 . 2 . . 895 . . 19 LEU HD22 . 26919 1 174 . 1 1 19 19 LEU HD23 H 1 0.313 0.0 . 2 . . 895 . . 19 LEU HD23 . 26919 1 175 . 1 1 19 19 LEU C C 13 178.450 0.03 . 1 . . 408 . . 19 LEU C . 26919 1 176 . 1 1 19 19 LEU CA C 13 57.961 0.003 . 1 . . 11 . . 19 LEU CA . 26919 1 177 . 1 1 19 19 LEU CB C 13 42.096 0.08 . 1 . . 284 . . 19 LEU CB . 26919 1 178 . 1 1 19 19 LEU CD1 C 13 23.095 0.03 . 2 . . 515 . . 19 LEU CD1 . 26919 1 179 . 1 1 19 19 LEU CD2 C 13 25.454 0.002 . 2 . . 514 . . 19 LEU CD2 . 26919 1 180 . 1 1 19 19 LEU N N 15 119.796 0.073 . 1 . . 10 . . 19 LEU N . 26919 1 181 . 1 1 20 20 GLU H H 1 8.708 0.004 . 1 . . 111 . . 20 GLU H . 26919 1 182 . 1 1 20 20 GLU HA H 1 3.731 0.003 . 1 . . 783 . . 20 GLU HA . 26919 1 183 . 1 1 20 20 GLU HB2 H 1 2.013 0.01 . 1 . . 782 . . 20 GLU HB2 . 26919 1 184 . 1 1 20 20 GLU HB3 H 1 2.013 0.01 . 1 . . 916 . . 20 GLU HB3 . 26919 1 185 . 1 1 20 20 GLU HG2 H 1 2.296 0.005 . 2 . . 781 . . 20 GLU HG2 . 26919 1 186 . 1 1 20 20 GLU HG3 H 1 2.145 0.01 . 2 . . 901 . . 20 GLU HG3 . 26919 1 187 . 1 1 20 20 GLU C C 13 178.771 0.03 . 1 . . 439 . . 20 GLU C . 26919 1 188 . 1 1 20 20 GLU CA C 13 60.645 0.016 . 1 . . 113 . . 20 GLU CA . 26919 1 189 . 1 1 20 20 GLU CB C 13 29.802 0.022 . 1 . . 312 . . 20 GLU CB . 26919 1 190 . 1 1 20 20 GLU CG C 13 37.391 0.024 . 1 . . 564 . . 20 GLU CG . 26919 1 191 . 1 1 20 20 GLU N N 15 120.422 0.118 . 1 . . 112 . . 20 GLU N . 26919 1 192 . 1 1 21 21 GLY H H 1 8.075 0.004 . 1 . . 29 . . 21 GLY H . 26919 1 193 . 1 1 21 21 GLY HA2 H 1 3.906 0.015 . 1 . . 832 . . 21 GLY HA2 . 26919 1 194 . 1 1 21 21 GLY HA3 H 1 3.906 0.015 . 1 . . 917 . . 21 GLY HA3 . 26919 1 195 . 1 1 21 21 GLY C C 13 176.443 0.03 . 1 . . 414 . . 21 GLY C . 26919 1 196 . 1 1 21 21 GLY CA C 13 47.217 0.06 . 1 . . 31 . . 21 GLY CA . 26919 1 197 . 1 1 21 21 GLY N N 15 105.195 0.034 . 1 . . 30 . . 21 GLY N . 26919 1 198 . 1 1 22 22 ALA H H 1 7.747 0.011 . 1 . . 120 . . 22 ALA H . 26919 1 199 . 1 1 22 22 ALA HA H 1 4.378 0.005 . 1 . . 848 . . 22 ALA HA . 26919 1 200 . 1 1 22 22 ALA HB1 H 1 1.505 0.002 . 1 . . 849 . . 22 ALA HB1 . 26919 1 201 . 1 1 22 22 ALA HB2 H 1 1.505 0.002 . 1 . . 849 . . 22 ALA HB2 . 26919 1 202 . 1 1 22 22 ALA HB3 H 1 1.505 0.002 . 1 . . 849 . . 22 ALA HB3 . 26919 1 203 . 1 1 22 22 ALA C C 13 179.247 0.019 . 1 . . 442 . . 22 ALA C . 26919 1 204 . 1 1 22 22 ALA CA C 13 54.981 0.005 . 1 . . 122 . . 22 ALA CA . 26919 1 205 . 1 1 22 22 ALA CB C 13 19.521 0.069 . 1 . . 315 . . 22 ALA CB . 26919 1 206 . 1 1 22 22 ALA N N 15 124.943 0.14 . 1 . . 121 . . 22 ALA N . 26919 1 207 . 1 1 23 23 LEU H H 1 8.696 0.007 . 1 . . 176 . . 23 LEU H . 26919 1 208 . 1 1 23 23 LEU HA H 1 3.831 0.004 . 1 . . 730 . . 23 LEU HA . 26919 1 209 . 1 1 23 23 LEU HB2 H 1 2.199 0.001 . 1 . . 731 . . 23 LEU HB2 . 26919 1 210 . 1 1 23 23 LEU HB3 H 1 2.199 0.001 . 1 . . 918 . . 23 LEU HB3 . 26919 1 211 . 1 1 23 23 LEU HG H 1 1.451 0.005 . 1 . . 732 . . 23 LEU HG . 26919 1 212 . 1 1 23 23 LEU HD11 H 1 0.651 0.005 . 1 . . 733 . . 23 LEU HD11 . 26919 1 213 . 1 1 23 23 LEU HD12 H 1 0.651 0.005 . 1 . . 733 . . 23 LEU HD12 . 26919 1 214 . 1 1 23 23 LEU HD13 H 1 0.651 0.005 . 1 . . 733 . . 23 LEU HD13 . 26919 1 215 . 1 1 23 23 LEU HD21 H 1 0.651 0.005 . 1 . . 919 . . 23 LEU HD21 . 26919 1 216 . 1 1 23 23 LEU HD22 H 1 0.651 0.005 . 1 . . 919 . . 23 LEU HD22 . 26919 1 217 . 1 1 23 23 LEU HD23 H 1 0.651 0.005 . 1 . . 919 . . 23 LEU HD23 . 26919 1 218 . 1 1 23 23 LEU C C 13 178.750 0.03 . 1 . . 497 . . 23 LEU C . 26919 1 219 . 1 1 23 23 LEU CA C 13 58.238 0.053 . 1 . . 361 . . 23 LEU CA . 26919 1 220 . 1 1 23 23 LEU CB C 13 41.411 0.056 . 1 . . 330 . . 23 LEU CB . 26919 1 221 . 1 1 23 23 LEU CG C 13 26.841 0.03 . 1 . . 548 . . 23 LEU CG . 26919 1 222 . 1 1 23 23 LEU CD1 C 13 25.010 0.03 . 1 . . 549 . . 23 LEU CD1 . 26919 1 223 . 1 1 23 23 LEU CD2 C 13 25.010 0.03 . 1 . . 597 . . 23 LEU CD2 . 26919 1 224 . 1 1 23 23 LEU N N 15 119.867 0.051 . 1 . . 177 . . 23 LEU N . 26919 1 225 . 1 1 24 24 ASP H H 1 8.497 0.009 . 1 . . 17 . . 24 ASP H . 26919 1 226 . 1 1 24 24 ASP HA H 1 4.620 0.001 . 1 . . 606 . . 24 ASP HA . 26919 1 227 . 1 1 24 24 ASP HB2 H 1 2.932 0.005 . 2 . . 607 . . 24 ASP HB2 . 26919 1 228 . 1 1 24 24 ASP HB3 H 1 2.633 0.005 . 2 . . 608 . . 24 ASP HB3 . 26919 1 229 . 1 1 24 24 ASP C C 13 179.592 0.03 . 1 . . 410 . . 24 ASP C . 26919 1 230 . 1 1 24 24 ASP CA C 13 57.732 0.042 . 1 . . 19 . . 24 ASP CA . 26919 1 231 . 1 1 24 24 ASP CB C 13 39.995 0.012 . 1 . . 286 . . 24 ASP CB . 26919 1 232 . 1 1 24 24 ASP N N 15 119.551 0.05 . 1 . . 18 . . 24 ASP N . 26919 1 233 . 1 1 25 25 MET H H 1 7.716 0.003 . 1 . . 108 . . 25 MET H . 26919 1 234 . 1 1 25 25 MET HA H 1 4.249 0.002 . 1 . . 818 . . 25 MET HA . 26919 1 235 . 1 1 25 25 MET HB2 H 1 2.413 0.003 . 1 . . 896 . . 25 MET HB2 . 26919 1 236 . 1 1 25 25 MET HB3 H 1 2.413 0.003 . 1 . . 920 . . 25 MET HB3 . 26919 1 237 . 1 1 25 25 MET HG2 H 1 2.900 0.002 . 2 . . 816 . . 25 MET HG2 . 26919 1 238 . 1 1 25 25 MET HG3 H 1 2.776 0.002 . 2 . . 817 . . 25 MET HG3 . 26919 1 239 . 1 1 25 25 MET C C 13 177.589 0.019 . 1 . . 438 . . 25 MET C . 26919 1 240 . 1 1 25 25 MET CA C 13 58.378 0.019 . 1 . . 110 . . 25 MET CA . 26919 1 241 . 1 1 25 25 MET CB C 13 32.343 0.04 . 1 . . 311 . . 25 MET CB . 26919 1 242 . 1 1 25 25 MET CG C 13 32.392 0.048 . 1 . . 593 . . 25 MET CG . 26919 1 243 . 1 1 25 25 MET N N 15 121.739 0.112 . 1 . . 109 . . 25 MET N . 26919 1 244 . 1 1 26 26 TYR H H 1 7.870 0.01 . 1 . . 99 . . 26 TYR H . 26919 1 245 . 1 1 26 26 TYR HA H 1 3.403 0.008 . 1 . . 792 . . 26 TYR HA . 26919 1 246 . 1 1 26 26 TYR HB2 H 1 1.960 0.004 . 1 . . 791 . . 26 TYR HB2 . 26919 1 247 . 1 1 26 26 TYR HB3 H 1 1.960 0.004 . 1 . . 921 . . 26 TYR HB3 . 26919 1 248 . 1 1 26 26 TYR HD1 H 1 7.128 0.007 . 1 . . 1001 . . 26 TYR HD1 . 26919 1 249 . 1 1 26 26 TYR HD2 H 1 7.128 0.007 . 1 . . 1001 . . 26 TYR HD2 . 26919 1 250 . 1 1 26 26 TYR HE1 H 1 6.537 0.012 . 1 . . 1000 . . 26 TYR HE1 . 26919 1 251 . 1 1 26 26 TYR HE2 H 1 6.537 0.012 . 1 . . 1000 . . 26 TYR HE2 . 26919 1 252 . 1 1 26 26 TYR C C 13 179.492 0.012 . 1 . . 434 . . 26 TYR C . 26919 1 253 . 1 1 26 26 TYR CA C 13 61.207 0.028 . 1 . . 101 . . 26 TYR CA . 26919 1 254 . 1 1 26 26 TYR CB C 13 37.909 0.039 . 1 . . 309 . . 26 TYR CB . 26919 1 255 . 1 1 26 26 TYR CD1 C 13 133.644 0.071 . 1 . . 1023 . . 26 TYR CD1 . 26919 1 256 . 1 1 26 26 TYR CD2 C 13 133.644 0.071 . 1 . . 1023 . . 26 TYR CD2 . 26919 1 257 . 1 1 26 26 TYR CE1 C 13 118.719 0.117 . 1 . . 1022 . . 26 TYR CE1 . 26919 1 258 . 1 1 26 26 TYR CE2 C 13 118.719 0.117 . 1 . . 1022 . . 26 TYR CE2 . 26919 1 259 . 1 1 26 26 TYR N N 15 122.830 0.066 . 1 . . 100 . . 26 TYR N . 26919 1 260 . 1 1 27 27 LYS H H 1 8.564 0.004 . 1 . . 162 . . 27 LYS H . 26919 1 261 . 1 1 27 27 LYS HA H 1 3.922 0.005 . 1 . . 674 . . 27 LYS HA . 26919 1 262 . 1 1 27 27 LYS HB2 H 1 1.610 0.005 . 2 . . 671 . . 27 LYS HB2 . 26919 1 263 . 1 1 27 27 LYS HB3 H 1 1.589 0.004 . 2 . . 898 . . 27 LYS HB3 . 26919 1 264 . 1 1 27 27 LYS HG2 H 1 0.405 0.002 . 2 . . 673 . . 27 LYS HG2 . 26919 1 265 . 1 1 27 27 LYS HG3 H 1 0.895 0.005 . 2 . . 897 . . 27 LYS HG3 . 26919 1 266 . 1 1 27 27 LYS HD2 H 1 0.601 0.001 . 2 . . 672 . . 27 LYS HD2 . 26919 1 267 . 1 1 27 27 LYS HD3 H 1 0.792 0.004 . 2 . . 675 . . 27 LYS HD3 . 26919 1 268 . 1 1 27 27 LYS HE2 H 1 2.606 0.001 . 1 . . 869 . . 27 LYS HE2 . 26919 1 269 . 1 1 27 27 LYS HE3 H 1 2.606 0.001 . 1 . . 922 . . 27 LYS HE3 . 26919 1 270 . 1 1 27 27 LYS C C 13 178.952 0.017 . 1 . . 457 . . 27 LYS C . 26919 1 271 . 1 1 27 27 LYS CA C 13 58.743 0.019 . 1 . . 164 . . 27 LYS CA . 26919 1 272 . 1 1 27 27 LYS CB C 13 32.068 0.028 . 1 . . 326 . . 27 LYS CB . 26919 1 273 . 1 1 27 27 LYS CG C 13 24.453 0.038 . 1 . . 530 . . 27 LYS CG . 26919 1 274 . 1 1 27 27 LYS CD C 13 28.528 0.043 . 1 . . 529 . . 27 LYS CD . 26919 1 275 . 1 1 27 27 LYS CE C 13 42.158 0.029 . 1 . . 588 . . 27 LYS CE . 26919 1 276 . 1 1 27 27 LYS N N 15 121.547 0.04 . 1 . . 163 . . 27 LYS N . 26919 1 277 . 1 1 28 28 LEU H H 1 8.088 0.002 . 1 . . 275 . . 28 LEU H . 26919 1 278 . 1 1 28 28 LEU HA H 1 3.974 0.005 . 1 . . 765 . . 28 LEU HA . 26919 1 279 . 1 1 28 28 LEU HB2 H 1 1.789 0.005 . 1 . . 766 . . 28 LEU HB2 . 26919 1 280 . 1 1 28 28 LEU HB3 H 1 1.789 0.005 . 1 . . 923 . . 28 LEU HB3 . 26919 1 281 . 1 1 28 28 LEU HG H 1 1.670 0.005 . 1 . . 768 . . 28 LEU HG . 26919 1 282 . 1 1 28 28 LEU HD11 H 1 0.892 0.005 . 1 . . 767 . . 28 LEU HD11 . 26919 1 283 . 1 1 28 28 LEU HD12 H 1 0.892 0.005 . 1 . . 767 . . 28 LEU HD12 . 26919 1 284 . 1 1 28 28 LEU HD13 H 1 0.892 0.005 . 1 . . 767 . . 28 LEU HD13 . 26919 1 285 . 1 1 28 28 LEU HD21 H 1 0.892 0.005 . 1 . . 924 . . 28 LEU HD21 . 26919 1 286 . 1 1 28 28 LEU HD22 H 1 0.892 0.005 . 1 . . 924 . . 28 LEU HD22 . 26919 1 287 . 1 1 28 28 LEU HD23 H 1 0.892 0.005 . 1 . . 924 . . 28 LEU HD23 . 26919 1 288 . 1 1 28 28 LEU C C 13 179.529 0.015 . 1 . . 494 . . 28 LEU C . 26919 1 289 . 1 1 28 28 LEU CA C 13 58.275 0.006 . 1 . . 277 . . 28 LEU CA . 26919 1 290 . 1 1 28 28 LEU CB C 13 41.493 0.007 . 1 . . 356 . . 28 LEU CB . 26919 1 291 . 1 1 28 28 LEU CG C 13 26.981 0.03 . 1 . . 562 . . 28 LEU CG . 26919 1 292 . 1 1 28 28 LEU CD1 C 13 24.447 0.03 . 1 . . 563 . . 28 LEU CD1 . 26919 1 293 . 1 1 28 28 LEU CD2 C 13 24.447 0.03 . 1 . . 598 . . 28 LEU CD2 . 26919 1 294 . 1 1 28 28 LEU N N 15 123.373 0.04 . 1 . . 276 . . 28 LEU N . 26919 1 295 . 1 1 29 29 ASP H H 1 7.370 0.002 . 1 . . 141 . . 29 ASP H . 26919 1 296 . 1 1 29 29 ASP HA H 1 4.540 0.005 . 1 . . 773 . . 29 ASP HA . 26919 1 297 . 1 1 29 29 ASP HB2 H 1 2.638 0.005 . 1 . . 774 . . 29 ASP HB2 . 26919 1 298 . 1 1 29 29 ASP HB3 H 1 2.638 0.005 . 1 . . 925 . . 29 ASP HB3 . 26919 1 299 . 1 1 29 29 ASP C C 13 178.170 0.021 . 1 . . 450 . . 29 ASP C . 26919 1 300 . 1 1 29 29 ASP CA C 13 56.745 0.002 . 1 . . 143 . . 29 ASP CA . 26919 1 301 . 1 1 29 29 ASP CB C 13 41.076 0.033 . 1 . . 321 . . 29 ASP CB . 26919 1 302 . 1 1 29 29 ASP N N 15 116.064 0.018 . 1 . . 142 . . 29 ASP N . 26919 1 303 . 1 1 30 30 ASN H H 1 8.212 0.009 . 1 . . 105 . . 30 ASN H . 26919 1 304 . 1 1 30 30 ASN HA H 1 4.817 0.003 . 1 . . 854 . . 30 ASN HA . 26919 1 305 . 1 1 30 30 ASN HB2 H 1 2.652 0.005 . 2 . . 855 . . 30 ASN HB2 . 26919 1 306 . 1 1 30 30 ASN HB3 H 1 2.578 0.005 . 2 . . 856 . . 30 ASN HB3 . 26919 1 307 . 1 1 30 30 ASN HD21 H 1 5.979 0.005 . 1 . . 377 . . 30 ASN HD21 . 26919 1 308 . 1 1 30 30 ASN HD22 H 1 7.547 0.005 . 1 . . 375 . . 30 ASN HD22 . 26919 1 309 . 1 1 30 30 ASN C C 13 175.411 0.019 . 1 . . 437 . . 30 ASN C . 26919 1 310 . 1 1 30 30 ASN CA C 13 55.726 0.013 . 1 . . 107 . . 30 ASN CA . 26919 1 311 . 1 1 30 30 ASN CB C 13 41.166 0.016 . 1 . . 310 . . 30 ASN CB . 26919 1 312 . 1 1 30 30 ASN N N 15 114.629 0.163 . 1 . . 106 . . 30 ASN N . 26919 1 313 . 1 1 30 30 ASN ND2 N 15 116.141 0.03 . 1 . . 376 . . 30 ASN ND2 . 26919 1 314 . 1 1 31 31 SER H H 1 8.869 0.003 . 1 . . 208 . . 31 SER H . 26919 1 315 . 1 1 31 31 SER HA H 1 4.133 0.005 . 1 . . 779 . . 31 SER HA . 26919 1 316 . 1 1 31 31 SER HB2 H 1 4.009 0.046 . 2 . . 780 . . 31 SER HB2 . 26919 1 317 . 1 1 31 31 SER HB3 H 1 4.203 0.011 . 2 . . 899 . . 31 SER HB3 . 26919 1 318 . 1 1 31 31 SER C C 13 171.586 0.017 . 1 . . 470 . . 31 SER C . 26919 1 319 . 1 1 31 31 SER CA C 13 61.095 0.073 . 1 . . 210 . . 31 SER CA . 26919 1 320 . 1 1 31 31 SER CB C 13 62.544 0.126 . 1 . . 339 . . 31 SER CB . 26919 1 321 . 1 1 31 31 SER N N 15 115.724 0.04 . 1 . . 209 . . 31 SER N . 26919 1 322 . 1 1 32 32 ARG H H 1 7.230 0.001 . 1 . . 86 . . 32 ARG H . 26919 1 323 . 1 1 32 32 ARG HA H 1 4.455 0.004 . 1 . . 827 . . 32 ARG HA . 26919 1 324 . 1 1 32 32 ARG HB2 H 1 1.824 0.005 . 2 . . 830 . . 32 ARG HB2 . 26919 1 325 . 1 1 32 32 ARG HB3 H 1 2.037 0.005 . 2 . . 829 . . 32 ARG HB3 . 26919 1 326 . 1 1 32 32 ARG HG2 H 1 1.492 0.005 . 2 . . 831 . . 32 ARG HG2 . 26919 1 327 . 1 1 32 32 ARG HG3 H 1 1.321 0.005 . 2 . . 857 . . 32 ARG HG3 . 26919 1 328 . 1 1 32 32 ARG HD2 H 1 3.162 0.005 . 1 . . 828 . . 32 ARG HD2 . 26919 1 329 . 1 1 32 32 ARG HD3 H 1 3.162 0.005 . 1 . . 926 . . 32 ARG HD3 . 26919 1 330 . 1 1 32 32 ARG C C 13 173.965 0.03 . 1 . . 430 . . 32 ARG C . 26919 1 331 . 1 1 32 32 ARG CA C 13 53.841 0.022 . 1 . . 88 . . 32 ARG CA . 26919 1 332 . 1 1 32 32 ARG CB C 13 32.354 0.015 . 1 . . 305 . . 32 ARG CB . 26919 1 333 . 1 1 32 32 ARG CG C 13 24.947 0.03 . 1 . . 574 . . 32 ARG CG . 26919 1 334 . 1 1 32 32 ARG CD C 13 43.554 0.03 . 1 . . 573 . . 32 ARG CD . 26919 1 335 . 1 1 32 32 ARG N N 15 115.161 0.039 . 1 . . 87 . . 32 ARG N . 26919 1 336 . 1 1 33 33 TYR H H 1 8.326 0.003 . 1 . . 114 . . 33 TYR H . 26919 1 337 . 1 1 33 33 TYR HA H 1 4.602 0.005 . 1 . . 975 . . 33 TYR HA . 26919 1 338 . 1 1 33 33 TYR HB2 H 1 2.871 0.005 . 2 . . 984 . . 33 TYR HB2 . 26919 1 339 . 1 1 33 33 TYR HB3 H 1 2.357 0.005 . 2 . . 988 . . 33 TYR HB3 . 26919 1 340 . 1 1 33 33 TYR HD1 H 1 7.040 0.013 . 1 . . 999 . . 33 TYR HD1 . 26919 1 341 . 1 1 33 33 TYR HD2 H 1 7.040 0.013 . 1 . . 999 . . 33 TYR HD2 . 26919 1 342 . 1 1 33 33 TYR HE1 H 1 6.749 0.009 . 1 . . 998 . . 33 TYR HE1 . 26919 1 343 . 1 1 33 33 TYR HE2 H 1 6.749 0.009 . 1 . . 998 . . 33 TYR HE2 . 26919 1 344 . 1 1 33 33 TYR C C 13 174.769 0.03 . 1 . . 440 . . 33 TYR C . 26919 1 345 . 1 1 33 33 TYR CA C 13 57.531 0.01 . 1 . . 116 . . 33 TYR CA . 26919 1 346 . 1 1 33 33 TYR CB C 13 37.117 0.074 . 1 . . 313 . . 33 TYR CB . 26919 1 347 . 1 1 33 33 TYR CD1 C 13 131.289 0.03 . 1 . . 1034 . . 33 TYR CD1 . 26919 1 348 . 1 1 33 33 TYR CD2 C 13 131.289 0.03 . 1 . . 1034 . . 33 TYR CD2 . 26919 1 349 . 1 1 33 33 TYR CE1 C 13 118.512 0.02 . 1 . . 1021 . . 33 TYR CE1 . 26919 1 350 . 1 1 33 33 TYR CE2 C 13 118.512 0.02 . 1 . . 1021 . . 33 TYR CE2 . 26919 1 351 . 1 1 33 33 TYR N N 15 116.718 0.047 . 1 . . 115 . . 33 TYR N . 26919 1 352 . 1 1 34 34 PRO HA H 1 4.634 0.005 . 1 . . 636 . . 34 PRO HA . 26919 1 353 . 1 1 34 34 PRO HB2 H 1 1.404 0.0 . 2 . . 635 . . 34 PRO HB2 . 26919 1 354 . 1 1 34 34 PRO HB3 H 1 1.834 0.004 . 2 . . 637 . . 34 PRO HB3 . 26919 1 355 . 1 1 34 34 PRO HG2 H 1 1.176 0.005 . 1 . . 983 . . 34 PRO HG2 . 26919 1 356 . 1 1 34 34 PRO HG3 H 1 1.176 0.005 . 1 . . 994 . . 34 PRO HG3 . 26919 1 357 . 1 1 34 34 PRO C C 13 176.092 0.03 . 1 . . 498 . . 34 PRO C . 26919 1 358 . 1 1 34 34 PRO CA C 13 62.897 0.001 . 1 . . 392 . . 34 PRO CA . 26919 1 359 . 1 1 34 34 PRO CB C 13 31.067 0.039 . 1 . . 393 . . 34 PRO CB . 26919 1 360 . 1 1 34 34 PRO CG C 13 26.907 0.004 . 1 . . 520 . . 34 PRO CG . 26919 1 361 . 1 1 35 35 THR H H 1 8.848 0.005 . 1 . . 199 . . 35 THR H . 26919 1 362 . 1 1 35 35 THR HA H 1 4.853 0.005 . 1 . . 815 . . 35 THR HA . 26919 1 363 . 1 1 35 35 THR HB H 1 4.292 0.005 . 1 . . 814 . . 35 THR HB . 26919 1 364 . 1 1 35 35 THR C C 13 176.165 0.03 . 1 . . 467 . . 35 THR C . 26919 1 365 . 1 1 35 35 THR CA C 13 60.858 0.05 . 1 . . 201 . . 35 THR CA . 26919 1 366 . 1 1 35 35 THR CB C 13 71.639 0.033 . 1 . . 336 . . 35 THR CB . 26919 1 367 . 1 1 35 35 THR N N 15 113.950 0.04 . 1 . . 200 . . 35 THR N . 26919 1 368 . 1 1 36 36 THR H H 1 8.430 0.001 . 1 . . 74 . . 36 THR H . 26919 1 369 . 1 1 36 36 THR HA H 1 4.161 0.005 . 1 . . 728 . . 36 THR HA . 26919 1 370 . 1 1 36 36 THR HB H 1 3.592 0.005 . 1 . . 729 . . 36 THR HB . 26919 1 371 . 1 1 36 36 THR HG21 H 1 1.777 0.005 . 1 . . 734 . . 36 THR HG1 . 26919 1 372 . 1 1 36 36 THR HG22 H 1 1.777 0.005 . 1 . . 734 . . 36 THR HG1 . 26919 1 373 . 1 1 36 36 THR HG23 H 1 1.777 0.005 . 1 . . 734 . . 36 THR HG1 . 26919 1 374 . 1 1 36 36 THR C C 13 175.661 0.011 . 1 . . 426 . . 36 THR C . 26919 1 375 . 1 1 36 36 THR CA C 13 66.816 0.062 . 1 . . 76 . . 36 THR CA . 26919 1 376 . 1 1 36 36 THR CB C 13 69.298 0.057 . 1 . . 302 . . 36 THR CB . 26919 1 377 . 1 1 36 36 THR CG2 C 13 22.486 0.03 . 1 . . 589 . . 36 THR CG2 . 26919 1 378 . 1 1 36 36 THR N N 15 116.701 0.059 . 1 . . 75 . . 36 THR N . 26919 1 379 . 1 1 37 37 GLU H H 1 8.505 0.004 . 1 . . 14 . . 37 GLU H . 26919 1 380 . 1 1 37 37 GLU HA H 1 3.914 0.005 . 1 . . 614 . . 37 GLU HA . 26919 1 381 . 1 1 37 37 GLU HB2 H 1 2.021 0.004 . 1 . . 616 . . 37 GLU HB2 . 26919 1 382 . 1 1 37 37 GLU HB3 H 1 2.021 0.004 . 1 . . 927 . . 37 GLU HB3 . 26919 1 383 . 1 1 37 37 GLU HG2 H 1 2.176 0.005 . 1 . . 615 . . 37 GLU HG2 . 26919 1 384 . 1 1 37 37 GLU HG3 H 1 2.176 0.005 . 1 . . 928 . . 37 GLU HG3 . 26919 1 385 . 1 1 37 37 GLU C C 13 178.071 0.03 . 1 . . 409 . . 37 GLU C . 26919 1 386 . 1 1 37 37 GLU CA C 13 59.123 0.041 . 1 . . 16 . . 37 GLU CA . 26919 1 387 . 1 1 37 37 GLU CB C 13 29.621 0.024 . 1 . . 287 . . 37 GLU CB . 26919 1 388 . 1 1 37 37 GLU CG C 13 35.935 0.03 . 1 . . 512 . . 37 GLU CG . 26919 1 389 . 1 1 37 37 GLU N N 15 119.646 0.054 . 1 . . 15 . . 37 GLU N . 26919 1 390 . 1 1 38 38 GLN H H 1 7.544 0.003 . 1 . . 129 . . 38 GLN H . 26919 1 391 . 1 1 38 38 GLN HA H 1 3.981 0.006 . 1 . . 633 . . 38 GLN HA . 26919 1 392 . 1 1 38 38 GLN HB2 H 1 2.285 0.005 . 1 . . 634 . . 38 GLN HB2 . 26919 1 393 . 1 1 38 38 GLN HB3 H 1 2.285 0.005 . 1 . . 929 . . 38 GLN HB3 . 26919 1 394 . 1 1 38 38 GLN HG2 H 1 2.544 0.005 . 1 . . 858 . . 38 GLN HG2 . 26919 1 395 . 1 1 38 38 GLN HG3 H 1 2.544 0.005 . 1 . . 930 . . 38 GLN HG3 . 26919 1 396 . 1 1 38 38 GLN C C 13 178.380 0.03 . 1 . . 446 . . 38 GLN C . 26919 1 397 . 1 1 38 38 GLN CA C 13 58.214 0.018 . 1 . . 131 . . 38 GLN CA . 26919 1 398 . 1 1 38 38 GLN CB C 13 28.868 0.062 . 1 . . 318 . . 38 GLN CB . 26919 1 399 . 1 1 38 38 GLN CG C 13 34.850 0.03 . 1 . . 519 . . 38 GLN CG . 26919 1 400 . 1 1 38 38 GLN N N 15 119.526 0.02 . 1 . . 130 . . 38 GLN N . 26919 1 401 . 1 1 39 39 GLY H H 1 8.414 0.003 . 1 . . 269 . . 39 GLY H . 26919 1 402 . 1 1 39 39 GLY HA2 H 1 3.820 0.005 . 2 . . 701 . . 39 GLY HA2 . 26919 1 403 . 1 1 39 39 GLY HA3 H 1 4.263 0.005 . 2 . . 700 . . 39 GLY HA3 . 26919 1 404 . 1 1 39 39 GLY C C 13 172.709 0.013 . 1 . . 492 . . 39 GLY C . 26919 1 405 . 1 1 39 39 GLY CA C 13 45.117 0.006 . 1 . . 271 . . 39 GLY CA . 26919 1 406 . 1 1 39 39 GLY N N 15 103.954 0.033 . 1 . . 270 . . 39 GLY N . 26919 1 407 . 1 1 40 40 LEU H H 1 8.541 0.01 . 1 . . 43 . . 40 LEU H . 26919 1 408 . 1 1 40 40 LEU HA H 1 3.843 0.002 . 1 . . 694 . . 40 LEU HA . 26919 1 409 . 1 1 40 40 LEU HB2 H 1 1.751 0.005 . 1 . . 695 . . 40 LEU HB2 . 26919 1 410 . 1 1 40 40 LEU HB3 H 1 1.751 0.005 . 1 . . 931 . . 40 LEU HB3 . 26919 1 411 . 1 1 40 40 LEU HG H 1 1.431 0.012 . 1 . . 696 . . 40 LEU HG . 26919 1 412 . 1 1 40 40 LEU HD11 H 1 0.762 0.005 . 1 . . 697 . . 40 LEU HD11 . 26919 1 413 . 1 1 40 40 LEU HD12 H 1 0.762 0.005 . 1 . . 697 . . 40 LEU HD12 . 26919 1 414 . 1 1 40 40 LEU HD13 H 1 0.762 0.005 . 1 . . 697 . . 40 LEU HD13 . 26919 1 415 . 1 1 40 40 LEU HD21 H 1 0.762 0.005 . 1 . . 932 . . 40 LEU HD21 . 26919 1 416 . 1 1 40 40 LEU HD22 H 1 0.762 0.005 . 1 . . 932 . . 40 LEU HD22 . 26919 1 417 . 1 1 40 40 LEU HD23 H 1 0.762 0.005 . 1 . . 932 . . 40 LEU HD23 . 26919 1 418 . 1 1 40 40 LEU C C 13 179.135 0.03 . 1 . . 418 . . 40 LEU C . 26919 1 419 . 1 1 40 40 LEU CA C 13 56.531 0.02 . 1 . . 45 . . 40 LEU CA . 26919 1 420 . 1 1 40 40 LEU CB C 13 41.700 0.026 . 1 . . 293 . . 40 LEU CB . 26919 1 421 . 1 1 40 40 LEU CG C 13 26.100 0.03 . 1 . . 535 . . 40 LEU CG . 26919 1 422 . 1 1 40 40 LEU CD1 C 13 24.201 0.03 . 1 . . 536 . . 40 LEU CD1 . 26919 1 423 . 1 1 40 40 LEU CD2 C 13 24.201 0.03 . 1 . . 599 . . 40 LEU CD2 . 26919 1 424 . 1 1 40 40 LEU N N 15 116.439 0.059 . 1 . . 44 . . 40 LEU N . 26919 1 425 . 1 1 41 41 GLN H H 1 8.732 0.003 . 1 . . 6 . . 41 GLN H . 26919 1 426 . 1 1 41 41 GLN HA H 1 3.948 0.005 . 1 . . 787 . . 41 GLN HA . 26919 1 427 . 1 1 41 41 GLN HB2 H 1 2.151 0.031 . 1 . . 786 . . 41 GLN HB2 . 26919 1 428 . 1 1 41 41 GLN HB3 H 1 2.151 0.031 . 1 . . 933 . . 41 GLN HB3 . 26919 1 429 . 1 1 41 41 GLN HG2 H 1 2.585 0.025 . 1 . . 788 . . 41 GLN HG2 . 26919 1 430 . 1 1 41 41 GLN HG3 H 1 2.585 0.025 . 1 . . 934 . . 41 GLN HG3 . 26919 1 431 . 1 1 41 41 GLN HE21 H 1 7.446 0.016 . 1 . . 1 . . 41 GLN HE21 . 26919 1 432 . 1 1 41 41 GLN HE22 H 1 6.843 0.019 . 1 . . 243 . . 41 GLN HE22 . 26919 1 433 . 1 1 41 41 GLN C C 13 177.498 0.03 . 1 . . 407 . . 41 GLN C . 26919 1 434 . 1 1 41 41 GLN CA C 13 59.032 0.031 . 1 . . 8 . . 41 GLN CA . 26919 1 435 . 1 1 41 41 GLN CB C 13 27.386 0.041 . 1 . . 283 . . 41 GLN CB . 26919 1 436 . 1 1 41 41 GLN CG C 13 33.791 0.022 . 1 . . 565 . . 41 GLN CG . 26919 1 437 . 1 1 41 41 GLN N N 15 118.019 0.022 . 1 . . 7 . . 41 GLN N . 26919 1 438 . 1 1 41 41 GLN NE2 N 15 111.689 0.277 . 1 . . 2 . . 41 GLN NE2 . 26919 1 439 . 1 1 42 42 ALA H H 1 7.392 0.002 . 1 . . 190 . . 42 ALA H . 26919 1 440 . 1 1 42 42 ALA HA H 1 4.704 0.002 . 1 . . 604 . . 42 ALA HA . 26919 1 441 . 1 1 42 42 ALA HB1 H 1 1.385 0.003 . 1 . . 605 . . 42 ALA HB1 . 26919 1 442 . 1 1 42 42 ALA HB2 H 1 1.385 0.003 . 1 . . 605 . . 42 ALA HB2 . 26919 1 443 . 1 1 42 42 ALA HB3 H 1 1.385 0.003 . 1 . . 605 . . 42 ALA HB3 . 26919 1 444 . 1 1 42 42 ALA C C 13 178.248 0.03 . 1 . . 466 . . 42 ALA C . 26919 1 445 . 1 1 42 42 ALA CA C 13 53.845 0.027 . 1 . . 192 . . 42 ALA CA . 26919 1 446 . 1 1 42 42 ALA CB C 13 18.569 0.057 . 1 . . 335 . . 42 ALA CB . 26919 1 447 . 1 1 42 42 ALA N N 15 120.922 0.029 . 1 . . 191 . . 42 ALA N . 26919 1 448 . 1 1 43 43 LEU H H 1 8.327 0.008 . 1 . . 159 . . 43 LEU H . 26919 1 449 . 1 1 43 43 LEU HA H 1 4.558 0.005 . 1 . . 840 . . 43 LEU HA . 26919 1 450 . 1 1 43 43 LEU HB2 H 1 2.112 0.002 . 2 . . 841 . . 43 LEU HB2 . 26919 1 451 . 1 1 43 43 LEU HB3 H 1 1.548 0.005 . 2 . . 842 . . 43 LEU HB3 . 26919 1 452 . 1 1 43 43 LEU HD11 H 1 0.864 0.005 . 1 . . 839 . . 43 LEU HD11 . 26919 1 453 . 1 1 43 43 LEU HD12 H 1 0.864 0.005 . 1 . . 839 . . 43 LEU HD12 . 26919 1 454 . 1 1 43 43 LEU HD13 H 1 0.864 0.005 . 1 . . 839 . . 43 LEU HD13 . 26919 1 455 . 1 1 43 43 LEU HD21 H 1 0.864 0.005 . 1 . . 935 . . 43 LEU HD21 . 26919 1 456 . 1 1 43 43 LEU HD22 H 1 0.864 0.005 . 1 . . 935 . . 43 LEU HD22 . 26919 1 457 . 1 1 43 43 LEU HD23 H 1 0.864 0.005 . 1 . . 935 . . 43 LEU HD23 . 26919 1 458 . 1 1 43 43 LEU C C 13 175.861 0.03 . 1 . . 456 . . 43 LEU C . 26919 1 459 . 1 1 43 43 LEU CA C 13 55.620 0.017 . 1 . . 161 . . 43 LEU CA . 26919 1 460 . 1 1 43 43 LEU CB C 13 42.885 0.011 . 1 . . 325 . . 43 LEU CB . 26919 1 461 . 1 1 43 43 LEU CG C 13 26.141 0.03 . 1 . . 576 . . 43 LEU CG . 26919 1 462 . 1 1 43 43 LEU CD1 C 13 21.471 0.03 . 1 . . 577 . . 43 LEU CD1 . 26919 1 463 . 1 1 43 43 LEU CD2 C 13 21.471 0.03 . 1 . . 600 . . 43 LEU CD2 . 26919 1 464 . 1 1 43 43 LEU N N 15 114.745 0.041 . 1 . . 160 . . 43 LEU N . 26919 1 465 . 1 1 44 44 VAL H H 1 7.929 0.003 . 1 . . 56 . . 44 VAL H . 26919 1 466 . 1 1 44 44 VAL HA H 1 4.633 0.005 . 1 . . 760 . . 44 VAL HA . 26919 1 467 . 1 1 44 44 VAL HB H 1 2.223 0.005 . 1 . . 761 . . 44 VAL HB . 26919 1 468 . 1 1 44 44 VAL HG11 H 1 0.956 0.003 . 2 . . 762 . . 44 VAL HG11 . 26919 1 469 . 1 1 44 44 VAL HG12 H 1 0.956 0.003 . 2 . . 762 . . 44 VAL HG12 . 26919 1 470 . 1 1 44 44 VAL HG13 H 1 0.956 0.003 . 2 . . 762 . . 44 VAL HG13 . 26919 1 471 . 1 1 44 44 VAL HG21 H 1 0.866 0.005 . 2 . . 763 . . 44 VAL HG21 . 26919 1 472 . 1 1 44 44 VAL HG22 H 1 0.866 0.005 . 2 . . 763 . . 44 VAL HG22 . 26919 1 473 . 1 1 44 44 VAL HG23 H 1 0.866 0.005 . 2 . . 763 . . 44 VAL HG23 . 26919 1 474 . 1 1 44 44 VAL C C 13 175.487 0.03 . 1 . . 435 . . 44 VAL C . 26919 1 475 . 1 1 44 44 VAL CA C 13 62.981 0.033 . 1 . . 58 . . 44 VAL CA . 26919 1 476 . 1 1 44 44 VAL CB C 13 33.849 0.037 . 1 . . 296 . . 44 VAL CB . 26919 1 477 . 1 1 44 44 VAL CG1 C 13 21.602 0.028 . 2 . . 560 . . 44 VAL CG1 . 26919 1 478 . 1 1 44 44 VAL CG2 C 13 21.173 0.03 . 2 . . 580 . . 44 VAL CG2 . 26919 1 479 . 1 1 44 44 VAL N N 15 118.202 0.1 . 1 . . 57 . . 44 VAL N . 26919 1 480 . 1 1 45 45 SER H H 1 7.882 0.002 . 1 . . 278 . . 45 SER H . 26919 1 481 . 1 1 45 45 SER HA H 1 4.516 0.005 . 1 . . 795 . . 45 SER HA . 26919 1 482 . 1 1 45 45 SER HB2 H 1 3.647 0.004 . 1 . . 796 . . 45 SER HB2 . 26919 1 483 . 1 1 45 45 SER HB3 H 1 3.647 0.004 . 1 . . 936 . . 45 SER HB3 . 26919 1 484 . 1 1 45 45 SER C C 13 172.767 0.03 . 1 . . 495 . . 45 SER C . 26919 1 485 . 1 1 45 45 SER CA C 13 56.979 0.035 . 1 . . 280 . . 45 SER CA . 26919 1 486 . 1 1 45 45 SER CB C 13 65.543 0.037 . 1 . . 357 . . 45 SER CB . 26919 1 487 . 1 1 45 45 SER N N 15 113.887 0.021 . 1 . . 279 . . 45 SER N . 26919 1 488 . 1 1 46 46 ALA H H 1 7.906 0.007 . 1 . . 173 . . 46 ALA H . 26919 1 489 . 1 1 46 46 ALA HA H 1 3.282 0.005 . 1 . . 979 . . 46 ALA HA . 26919 1 490 . 1 1 46 46 ALA HB1 H 1 0.694 0.005 . 1 . . 989 . . 46 ALA HB1 . 26919 1 491 . 1 1 46 46 ALA HB2 H 1 0.694 0.005 . 1 . . 989 . . 46 ALA HB2 . 26919 1 492 . 1 1 46 46 ALA HB3 H 1 0.694 0.005 . 1 . . 989 . . 46 ALA HB3 . 26919 1 493 . 1 1 46 46 ALA C C 13 176.544 0.03 . 1 . . 461 . . 46 ALA C . 26919 1 494 . 1 1 46 46 ALA CA C 13 50.989 0.017 . 1 . . 175 . . 46 ALA CA . 26919 1 495 . 1 1 46 46 ALA CB C 13 16.543 0.059 . 1 . . 329 . . 46 ALA CB . 26919 1 496 . 1 1 46 46 ALA N N 15 127.545 0.085 . 1 . . 174 . . 46 ALA N . 26919 1 497 . 1 1 47 47 PRO HA H 1 4.430 0.002 . 1 . . 802 . . 47 PRO HA . 26919 1 498 . 1 1 47 47 PRO HB2 H 1 2.305 0.005 . 1 . . 803 . . 47 PRO HB2 . 26919 1 499 . 1 1 47 47 PRO HB3 H 1 2.305 0.005 . 1 . . 937 . . 47 PRO HB3 . 26919 1 500 . 1 1 47 47 PRO C C 13 177.322 0.03 . 1 . . 499 . . 47 PRO C . 26919 1 501 . 1 1 47 47 PRO CA C 13 62.965 0.02 . 1 . . 378 . . 47 PRO CA . 26919 1 502 . 1 1 47 47 PRO CB C 13 32.456 0.03 . 1 . . 379 . . 47 PRO CB . 26919 1 503 . 1 1 47 47 PRO CG C 13 27.316 0.03 . 1 . . 567 . . 47 PRO CG . 26919 1 504 . 1 1 47 47 PRO CD C 13 51.119 0.03 . 1 . . 590 . . 47 PRO CD . 26919 1 505 . 1 1 48 48 SER H H 1 8.432 0.003 . 1 . . 3 . . 48 SER H . 26919 1 506 . 1 1 48 48 SER HA H 1 4.300 0.005 . 1 . . 797 . . 48 SER HA . 26919 1 507 . 1 1 48 48 SER HB2 H 1 3.846 0.017 . 1 . . 798 . . 48 SER HB2 . 26919 1 508 . 1 1 48 48 SER HB3 H 1 3.846 0.017 . 1 . . 938 . . 48 SER HB3 . 26919 1 509 . 1 1 48 48 SER C C 13 175.950 0.03 . 1 . . 406 . . 48 SER C . 26919 1 510 . 1 1 48 48 SER CA C 13 59.314 0.051 . 1 . . 5 . . 48 SER CA . 26919 1 511 . 1 1 48 48 SER CB C 13 63.541 0.023 . 1 . . 359 . . 48 SER CB . 26919 1 512 . 1 1 48 48 SER N N 15 117.413 0.067 . 1 . . 4 . . 48 SER N . 26919 1 513 . 1 1 49 49 ALA H H 1 8.448 0.006 . 1 . . 219 . . 49 ALA H . 26919 1 514 . 1 1 49 49 ALA HA H 1 4.481 0.007 . 1 . . 777 . . 49 ALA HA . 26919 1 515 . 1 1 49 49 ALA HB1 H 1 1.281 0.001 . 1 . . 778 . . 49 ALA HB1 . 26919 1 516 . 1 1 49 49 ALA HB2 H 1 1.281 0.001 . 1 . . 778 . . 49 ALA HB2 . 26919 1 517 . 1 1 49 49 ALA HB3 H 1 1.281 0.001 . 1 . . 778 . . 49 ALA HB3 . 26919 1 518 . 1 1 49 49 ALA C C 13 177.746 0.03 . 1 . . 475 . . 49 ALA C . 26919 1 519 . 1 1 49 49 ALA CA C 13 51.472 0.048 . 1 . . 221 . . 49 ALA CA . 26919 1 520 . 1 1 49 49 ALA CB C 13 18.779 0.038 . 1 . . 343 . . 49 ALA CB . 26919 1 521 . 1 1 49 49 ALA N N 15 127.882 0.023 . 1 . . 220 . . 49 ALA N . 26919 1 522 . 1 1 50 50 GLU H H 1 8.518 0.006 . 1 . . 59 . . 50 GLU H . 26919 1 523 . 1 1 50 50 GLU C C 13 174.952 0.03 . 1 . . 421 . . 50 GLU C . 26919 1 524 . 1 1 50 50 GLU CA C 13 55.240 0.03 . 1 . . 61 . . 50 GLU CA . 26919 1 525 . 1 1 50 50 GLU CB C 13 28.698 0.03 . 1 . . 297 . . 50 GLU CB . 26919 1 526 . 1 1 50 50 GLU N N 15 121.204 0.12 . 1 . . 60 . . 50 GLU N . 26919 1 527 . 1 1 51 51 PRO HA H 1 4.681 0.014 . 1 . . 651 . . 51 PRO HA . 26919 1 528 . 1 1 51 51 PRO HB2 H 1 2.020 0.005 . 2 . . 650 . . 51 PRO HB2 . 26919 1 529 . 1 1 51 51 PRO HB3 H 1 2.288 0.005 . 2 . . 652 . . 51 PRO HB3 . 26919 1 530 . 1 1 51 51 PRO HG2 H 1 1.862 0.005 . 2 . . 653 . . 51 PRO HG2 . 26919 1 531 . 1 1 51 51 PRO HG3 H 1 2.227 0.004 . 2 . . 870 . . 51 PRO HG3 . 26919 1 532 . 1 1 51 51 PRO HD2 H 1 3.419 0.0 . 2 . . 982 . . 51 PRO HD2 . 26919 1 533 . 1 1 51 51 PRO HD3 H 1 3.511 0.001 . 2 . . 980 . . 51 PRO HD3 . 26919 1 534 . 1 1 51 51 PRO C C 13 176.809 0.03 . 1 . . 500 . . 51 PRO C . 26919 1 535 . 1 1 51 51 PRO CA C 13 60.871 0.011 . 1 . . 380 . . 51 PRO CA . 26919 1 536 . 1 1 51 51 PRO CB C 13 33.371 0.03 . 1 . . 523 . . 51 PRO CB . 26919 1 537 . 1 1 51 51 PRO CG C 13 24.920 0.05 . 1 . . 524 . . 51 PRO CG . 26919 1 538 . 1 1 51 51 PRO CD C 13 50.415 0.001 . 1 . . 981 . . 51 PRO CD . 26919 1 539 . 1 1 52 52 HIS H H 1 8.759 0.003 . 1 . . 48 . . 52 HIS H . 26919 1 540 . 1 1 52 52 HIS HA H 1 4.401 0.005 . 1 . . 601 . . 52 HIS HA . 26919 1 541 . 1 1 52 52 HIS HB2 H 1 2.926 0.005 . 1 . . 602 . . 52 HIS HB2 . 26919 1 542 . 1 1 52 52 HIS HB3 H 1 2.926 0.005 . 1 . . 939 . . 52 HIS HB3 . 26919 1 543 . 1 1 52 52 HIS HD1 H 1 6.858 0.003 . 1 . . 1012 . . 52 HIS HD1 . 26919 1 544 . 1 1 52 52 HIS HD2 H 1 6.850 0.005 . 1 . . 1026 . . 52 HIS HD2 . 26919 1 545 . 1 1 52 52 HIS HE1 H 1 7.787 0.001 . 1 . . 1013 . . 52 HIS HE1 . 26919 1 546 . 1 1 52 52 HIS C C 13 175.516 0.03 . 1 . . 419 . . 52 HIS C . 26919 1 547 . 1 1 52 52 HIS CA C 13 55.966 0.015 . 1 . . 50 . . 52 HIS CA . 26919 1 548 . 1 1 52 52 HIS CB C 13 31.041 0.086 . 1 . . 294 . . 52 HIS CB . 26919 1 549 . 1 1 52 52 HIS CD2 C 13 119.733 0.03 . 1 . . 1027 . . 52 HIS CD2 . 26919 1 550 . 1 1 52 52 HIS CE1 C 13 138.207 0.03 . 1 . . 1029 . . 52 HIS CE1 . 26919 1 551 . 1 1 52 52 HIS N N 15 126.697 0.076 . 1 . . 49 . . 52 HIS N . 26919 1 552 . 1 1 53 53 ALA H H 1 9.321 0.003 . 1 . . 62 . . 53 ALA H . 26919 1 553 . 1 1 53 53 ALA HA H 1 4.353 0.002 . 1 . . 799 . . 53 ALA HA . 26919 1 554 . 1 1 53 53 ALA HB1 H 1 1.720 0.001 . 1 . . 800 . . 53 ALA HB1 . 26919 1 555 . 1 1 53 53 ALA HB2 H 1 1.720 0.001 . 1 . . 800 . . 53 ALA HB2 . 26919 1 556 . 1 1 53 53 ALA HB3 H 1 1.720 0.001 . 1 . . 800 . . 53 ALA HB3 . 26919 1 557 . 1 1 53 53 ALA C C 13 177.458 0.014 . 1 . . 422 . . 53 ALA C . 26919 1 558 . 1 1 53 53 ALA CA C 13 51.868 0.036 . 1 . . 64 . . 53 ALA CA . 26919 1 559 . 1 1 53 53 ALA CB C 13 20.067 0.05 . 1 . . 298 . . 53 ALA CB . 26919 1 560 . 1 1 53 53 ALA N N 15 125.311 0.019 . 1 . . 63 . . 53 ALA N . 26919 1 561 . 1 1 54 54 ARG H H 1 8.936 0.003 . 1 . . 138 . . 54 ARG H . 26919 1 562 . 1 1 54 54 ARG HA H 1 4.488 0.016 . 1 . . 667 . . 54 ARG HA . 26919 1 563 . 1 1 54 54 ARG HB2 H 1 1.753 0.005 . 1 . . 669 . . 54 ARG HB2 . 26919 1 564 . 1 1 54 54 ARG HB3 H 1 1.753 0.005 . 1 . . 940 . . 54 ARG HB3 . 26919 1 565 . 1 1 54 54 ARG HG2 H 1 1.624 0.005 . 1 . . 670 . . 54 ARG HG2 . 26919 1 566 . 1 1 54 54 ARG HG3 H 1 1.624 0.005 . 1 . . 942 . . 54 ARG HG3 . 26919 1 567 . 1 1 54 54 ARG HD2 H 1 3.205 0.005 . 1 . . 668 . . 54 ARG HD2 . 26919 1 568 . 1 1 54 54 ARG HD3 H 1 3.205 0.005 . 1 . . 941 . . 54 ARG HD3 . 26919 1 569 . 1 1 54 54 ARG C C 13 175.462 0.016 . 1 . . 449 . . 54 ARG C . 26919 1 570 . 1 1 54 54 ARG CA C 13 55.235 0.03 . 1 . . 140 . . 54 ARG CA . 26919 1 571 . 1 1 54 54 ARG CB C 13 32.065 0.002 . 1 . . 320 . . 54 ARG CB . 26919 1 572 . 1 1 54 54 ARG CG C 13 26.813 0.03 . 1 . . 528 . . 54 ARG CG . 26919 1 573 . 1 1 54 54 ARG CD C 13 43.464 0.03 . 1 . . 527 . . 54 ARG CD . 26919 1 574 . 1 1 54 54 ARG N N 15 122.024 0.016 . 1 . . 139 . . 54 ARG N . 26919 1 575 . 1 1 55 55 ASN H H 1 8.807 0.002 . 1 . . 247 . . 55 ASN H . 26919 1 576 . 1 1 55 55 ASN HA H 1 4.326 0.005 . 1 . . 715 . . 55 ASN HA . 26919 1 577 . 1 1 55 55 ASN HB2 H 1 2.720 0.002 . 2 . . 713 . . 55 ASN HB2 . 26919 1 578 . 1 1 55 55 ASN HB3 H 1 2.526 0.005 . 2 . . 714 . . 55 ASN HB3 . 26919 1 579 . 1 1 55 55 ASN HD21 H 1 6.758 0.005 . 1 . . 371 . . 55 ASN HD21 . 26919 1 580 . 1 1 55 55 ASN HD22 H 1 7.547 0.005 . 1 . . 369 . . 55 ASN HD22 . 26919 1 581 . 1 1 55 55 ASN C C 13 173.428 0.014 . 1 . . 485 . . 55 ASN C . 26919 1 582 . 1 1 55 55 ASN CA C 13 52.873 0.03 . 1 . . 249 . . 55 ASN CA . 26919 1 583 . 1 1 55 55 ASN CB C 13 37.786 0.032 . 1 . . 350 . . 55 ASN CB . 26919 1 584 . 1 1 55 55 ASN N N 15 120.826 0.03 . 1 . . 248 . . 55 ASN N . 26919 1 585 . 1 1 55 55 ASN ND2 N 15 112.886 0.032 . 1 . . 370 . . 55 ASN ND2 . 26919 1 586 . 1 1 56 56 TYR H H 1 8.236 0.021 . 1 . . 181 . . 56 TYR H . 26919 1 587 . 1 1 56 56 TYR HA H 1 4.437 0.005 . 1 . . 976 . . 56 TYR HA . 26919 1 588 . 1 1 56 56 TYR HB2 H 1 2.847 0.005 . 2 . . 986 . . 56 TYR HB2 . 26919 1 589 . 1 1 56 56 TYR HB3 H 1 2.658 0.005 . 2 . . 987 . . 56 TYR HB3 . 26919 1 590 . 1 1 56 56 TYR HD1 H 1 7.105 0.008 . 1 . . 1020 . . 56 TYR HD1 . 26919 1 591 . 1 1 56 56 TYR HD2 H 1 7.105 0.008 . 1 . . 1020 . . 56 TYR HD2 . 26919 1 592 . 1 1 56 56 TYR C C 13 175.069 0.03 . 1 . . 463 . . 56 TYR C . 26919 1 593 . 1 1 56 56 TYR CA C 13 57.492 0.005 . 1 . . 183 . . 56 TYR CA . 26919 1 594 . 1 1 56 56 TYR CB C 13 39.741 0.034 . 1 . . 332 . . 56 TYR CB . 26919 1 595 . 1 1 56 56 TYR CD1 C 13 132.053 0.03 . 1 . . 1035 . . 56 TYR CD1 . 26919 1 596 . 1 1 56 56 TYR CD2 C 13 132.053 0.03 . 1 . . 1035 . . 56 TYR CD2 . 26919 1 597 . 1 1 56 56 TYR N N 15 122.627 0.127 . 1 . . 182 . . 56 TYR N . 26919 1 598 . 1 1 57 57 PRO HA H 1 4.209 0.005 . 1 . . 659 . . 57 PRO HA . 26919 1 599 . 1 1 57 57 PRO HB2 H 1 1.746 0.005 . 2 . . 660 . . 57 PRO HB2 . 26919 1 600 . 1 1 57 57 PRO HB3 H 1 1.351 0.005 . 2 . . 661 . . 57 PRO HB3 . 26919 1 601 . 1 1 57 57 PRO HG2 H 1 0.591 0.005 . 2 . . 662 . . 57 PRO HG2 . 26919 1 602 . 1 1 57 57 PRO HG3 H 1 0.465 0.005 . 2 . . 663 . . 57 PRO HG3 . 26919 1 603 . 1 1 57 57 PRO HD2 H 1 3.945 0.005 . 1 . . 859 . . 57 PRO HD2 . 26919 1 604 . 1 1 57 57 PRO HD3 H 1 3.945 0.005 . 1 . . 943 . . 57 PRO HD3 . 26919 1 605 . 1 1 57 57 PRO C C 13 177.392 0.03 . 1 . . 501 . . 57 PRO C . 26919 1 606 . 1 1 57 57 PRO CA C 13 62.158 0.03 . 1 . . 381 . . 57 PRO CA . 26919 1 607 . 1 1 57 57 PRO CB C 13 31.299 0.016 . 1 . . 382 . . 57 PRO CB . 26919 1 608 . 1 1 57 57 PRO CG C 13 25.987 0.03 . 1 . . 526 . . 57 PRO CG . 26919 1 609 . 1 1 57 57 PRO CD C 13 50.461 0.03 . 1 . . 581 . . 57 PRO CD . 26919 1 610 . 1 1 58 58 GLU H H 1 8.532 0.001 . 1 . . 83 . . 58 GLU H . 26919 1 611 . 1 1 58 58 GLU HA H 1 4.048 0.005 . 1 . . 836 . . 58 GLU HA . 26919 1 612 . 1 1 58 58 GLU HB2 H 1 1.895 0.002 . 2 . . 838 . . 58 GLU HB2 . 26919 1 613 . 1 1 58 58 GLU HB3 H 1 1.951 0.002 . 2 . . 871 . . 58 GLU HB3 . 26919 1 614 . 1 1 58 58 GLU HG2 H 1 2.243 0.003 . 1 . . 837 . . 58 GLU HG2 . 26919 1 615 . 1 1 58 58 GLU HG3 H 1 2.243 0.003 . 1 . . 944 . . 58 GLU HG3 . 26919 1 616 . 1 1 58 58 GLU C C 13 178.010 0.021 . 1 . . 429 . . 58 GLU C . 26919 1 617 . 1 1 58 58 GLU CA C 13 58.357 0.017 . 1 . . 85 . . 58 GLU CA . 26919 1 618 . 1 1 58 58 GLU CB C 13 29.037 0.027 . 1 . . 304 . . 58 GLU CB . 26919 1 619 . 1 1 58 58 GLU CG C 13 36.004 0.017 . 1 . . 575 . . 58 GLU CG . 26919 1 620 . 1 1 58 58 GLU N N 15 123.726 0.032 . 1 . . 84 . . 58 GLU N . 26919 1 621 . 1 1 59 59 GLY H H 1 8.763 0.003 . 1 . . 253 . . 59 GLY H . 26919 1 622 . 1 1 59 59 GLY HA2 H 1 4.028 0.019 . 2 . . 679 . . 59 GLY HA2 . 26919 1 623 . 1 1 59 59 GLY HA3 H 1 3.851 0.005 . 2 . . 680 . . 59 GLY HA3 . 26919 1 624 . 1 1 59 59 GLY C C 13 175.167 0.03 . 1 . . 487 . . 59 GLY C . 26919 1 625 . 1 1 59 59 GLY CA C 13 45.111 0.071 . 1 . . 255 . . 59 GLY CA . 26919 1 626 . 1 1 59 59 GLY N N 15 114.042 0.024 . 1 . . 254 . . 59 GLY N . 26919 1 627 . 1 1 60 60 GLY H H 1 7.877 0.003 . 1 . . 80 . . 60 GLY H . 26919 1 628 . 1 1 60 60 GLY HA2 H 1 4.294 0.005 . 2 . . 789 . . 60 GLY HA2 . 26919 1 629 . 1 1 60 60 GLY HA3 H 1 3.284 0.001 . 2 . . 790 . . 60 GLY HA3 . 26919 1 630 . 1 1 60 60 GLY C C 13 173.115 0.015 . 1 . . 428 . . 60 GLY C . 26919 1 631 . 1 1 60 60 GLY CA C 13 45.106 0.009 . 1 . . 82 . . 60 GLY CA . 26919 1 632 . 1 1 60 60 GLY N N 15 106.960 0.017 . 1 . . 81 . . 60 GLY N . 26919 1 633 . 1 1 61 61 TYR H H 1 8.635 0.009 . 1 . . 26 . . 61 TYR H . 26919 1 634 . 1 1 61 61 TYR HA H 1 4.204 0.001 . 1 . . 665 . . 61 TYR HA . 26919 1 635 . 1 1 61 61 TYR HB2 H 1 3.255 0.001 . 2 . . 666 . . 61 TYR HB2 . 26919 1 636 . 1 1 61 61 TYR HB3 H 1 2.925 0.005 . 2 . . 664 . . 61 TYR HB3 . 26919 1 637 . 1 1 61 61 TYR HD1 H 1 7.096 0.007 . 1 . . 1003 . . 61 TYR HD1 . 26919 1 638 . 1 1 61 61 TYR HD2 H 1 7.096 0.007 . 1 . . 1003 . . 61 TYR HD2 . 26919 1 639 . 1 1 61 61 TYR HE1 H 1 6.607 0.008 . 1 . . 1002 . . 61 TYR HE1 . 26919 1 640 . 1 1 61 61 TYR HE2 H 1 6.607 0.008 . 1 . . 1002 . . 61 TYR HE2 . 26919 1 641 . 1 1 61 61 TYR C C 13 175.331 0.013 . 1 . . 413 . . 61 TYR C . 26919 1 642 . 1 1 61 61 TYR CA C 13 60.599 0.029 . 1 . . 28 . . 61 TYR CA . 26919 1 643 . 1 1 61 61 TYR CB C 13 40.451 0.082 . 1 . . 290 . . 61 TYR CB . 26919 1 644 . 1 1 61 61 TYR CD1 C 13 132.218 0.03 . 1 . . 1036 . . 61 TYR CD1 . 26919 1 645 . 1 1 61 61 TYR CD2 C 13 132.218 0.03 . 1 . . 1036 . . 61 TYR CD2 . 26919 1 646 . 1 1 61 61 TYR N N 15 117.075 0.094 . 1 . . 27 . . 61 TYR N . 26919 1 647 . 1 1 62 62 ILE H H 1 7.965 0.01 . 1 . . 51 . . 62 ILE H . 26919 1 648 . 1 1 62 62 ILE HA H 1 4.370 0.013 . 1 . . 720 . . 62 ILE HA . 26919 1 649 . 1 1 62 62 ILE HB H 1 1.639 0.005 . 1 . . 721 . . 62 ILE HB . 26919 1 650 . 1 1 62 62 ILE HG12 H 1 1.514 0.004 . 2 . . 724 . . 62 ILE HG12 . 26919 1 651 . 1 1 62 62 ILE HG13 H 1 1.112 0.002 . 2 . . 725 . . 62 ILE HG13 . 26919 1 652 . 1 1 62 62 ILE HG21 H 1 0.656 0.003 . 1 . . 723 . . 62 ILE HG21 . 26919 1 653 . 1 1 62 62 ILE HG22 H 1 0.656 0.003 . 1 . . 723 . . 62 ILE HG22 . 26919 1 654 . 1 1 62 62 ILE HG23 H 1 0.656 0.003 . 1 . . 723 . . 62 ILE HG23 . 26919 1 655 . 1 1 62 62 ILE HD11 H 1 0.784 0.001 . 1 . . 722 . . 62 ILE HD11 . 26919 1 656 . 1 1 62 62 ILE HD12 H 1 0.784 0.001 . 1 . . 722 . . 62 ILE HD12 . 26919 1 657 . 1 1 62 62 ILE HD13 H 1 0.784 0.001 . 1 . . 722 . . 62 ILE HD13 . 26919 1 658 . 1 1 62 62 ILE C C 13 173.349 0.013 . 1 . . 420 . . 62 ILE C . 26919 1 659 . 1 1 62 62 ILE CA C 13 60.011 0.013 . 1 . . 53 . . 62 ILE CA . 26919 1 660 . 1 1 62 62 ILE CB C 13 42.022 0.02 . 1 . . 295 . . 62 ILE CB . 26919 1 661 . 1 1 62 62 ILE CG1 C 13 27.983 0.027 . 1 . . 545 . . 62 ILE CG1 . 26919 1 662 . 1 1 62 62 ILE CG2 C 13 17.188 0.017 . 1 . . 546 . . 62 ILE CG2 . 26919 1 663 . 1 1 62 62 ILE CD1 C 13 13.950 0.029 . 1 . . 547 . . 62 ILE CD1 . 26919 1 664 . 1 1 62 62 ILE N N 15 118.709 0.157 . 1 . . 52 . . 62 ILE N . 26919 1 665 . 1 1 63 63 ARG H H 1 8.288 0.002 . 1 . . 71 . . 63 ARG H . 26919 1 666 . 1 1 63 63 ARG HA H 1 4.203 0.003 . 1 . . 690 . . 63 ARG HA . 26919 1 667 . 1 1 63 63 ARG HB2 H 1 1.822 0.002 . 1 . . 692 . . 63 ARG HB2 . 26919 1 668 . 1 1 63 63 ARG HB3 H 1 1.822 0.002 . 1 . . 945 . . 63 ARG HB3 . 26919 1 669 . 1 1 63 63 ARG HG2 H 1 1.680 0.001 . 1 . . 693 . . 63 ARG HG2 . 26919 1 670 . 1 1 63 63 ARG HG3 H 1 1.680 0.001 . 1 . . 947 . . 63 ARG HG3 . 26919 1 671 . 1 1 63 63 ARG HD2 H 1 3.217 0.003 . 1 . . 691 . . 63 ARG HD2 . 26919 1 672 . 1 1 63 63 ARG HD3 H 1 3.217 0.003 . 1 . . 946 . . 63 ARG HD3 . 26919 1 673 . 1 1 63 63 ARG C C 13 176.897 0.015 . 1 . . 425 . . 63 ARG C . 26919 1 674 . 1 1 63 63 ARG CA C 13 58.292 0.025 . 1 . . 73 . . 63 ARG CA . 26919 1 675 . 1 1 63 63 ARG CB C 13 30.625 0.023 . 1 . . 301 . . 63 ARG CB . 26919 1 676 . 1 1 63 63 ARG CG C 13 26.864 0.013 . 1 . . 534 . . 63 ARG CG . 26919 1 677 . 1 1 63 63 ARG CD C 13 42.931 0.01 . 1 . . 533 . . 63 ARG CD . 26919 1 678 . 1 1 63 63 ARG N N 15 121.599 0.079 . 1 . . 72 . . 63 ARG N . 26919 1 679 . 1 1 64 64 ARG H H 1 7.244 0.002 . 1 . . 147 . . 64 ARG H . 26919 1 680 . 1 1 64 64 ARG HA H 1 4.346 0.002 . 1 . . 716 . . 64 ARG HA . 26919 1 681 . 1 1 64 64 ARG HB2 H 1 1.698 0.02 . 1 . . 718 . . 64 ARG HB2 . 26919 1 682 . 1 1 64 64 ARG HB3 H 1 1.698 0.02 . 1 . . 948 . . 64 ARG HB3 . 26919 1 683 . 1 1 64 64 ARG HG2 H 1 1.390 0.016 . 1 . . 719 . . 64 ARG HG2 . 26919 1 684 . 1 1 64 64 ARG HG3 H 1 1.390 0.016 . 1 . . 950 . . 64 ARG HG3 . 26919 1 685 . 1 1 64 64 ARG HD2 H 1 3.117 0.003 . 1 . . 717 . . 64 ARG HD2 . 26919 1 686 . 1 1 64 64 ARG HD3 H 1 3.117 0.003 . 1 . . 949 . . 64 ARG HD3 . 26919 1 687 . 1 1 64 64 ARG C C 13 174.357 0.013 . 1 . . 452 . . 64 ARG C . 26919 1 688 . 1 1 64 64 ARG CA C 13 54.444 0.019 . 1 . . 149 . . 64 ARG CA . 26919 1 689 . 1 1 64 64 ARG CB C 13 32.545 0.045 . 1 . . 323 . . 64 ARG CB . 26919 1 690 . 1 1 64 64 ARG CG C 13 26.064 0.018 . 1 . . 544 . . 64 ARG CG . 26919 1 691 . 1 1 64 64 ARG CD C 13 43.269 0.008 . 1 . . 543 . . 64 ARG CD . 26919 1 692 . 1 1 64 64 ARG N N 15 113.272 0.023 . 1 . . 148 . . 64 ARG N . 26919 1 693 . 1 1 65 65 LEU H H 1 8.978 0.004 . 1 . . 132 . . 65 LEU H . 26919 1 694 . 1 1 65 65 LEU HA H 1 4.456 0.005 . 1 . . 978 . . 65 LEU HA . 26919 1 695 . 1 1 65 65 LEU HB2 H 1 1.663 0.005 . 2 . . 991 . . 65 LEU HB2 . 26919 1 696 . 1 1 65 65 LEU HB3 H 1 1.437 0.005 . 2 . . 992 . . 65 LEU HB3 . 26919 1 697 . 1 1 65 65 LEU HD11 H 1 0.775 0.005 . 1 . . 990 . . 65 LEU HD11 . 26919 1 698 . 1 1 65 65 LEU HD12 H 1 0.775 0.005 . 1 . . 990 . . 65 LEU HD12 . 26919 1 699 . 1 1 65 65 LEU HD13 H 1 0.775 0.005 . 1 . . 990 . . 65 LEU HD13 . 26919 1 700 . 1 1 65 65 LEU HD21 H 1 0.775 0.005 . 1 . . 995 . . 65 LEU HD21 . 26919 1 701 . 1 1 65 65 LEU HD22 H 1 0.775 0.005 . 1 . . 995 . . 65 LEU HD22 . 26919 1 702 . 1 1 65 65 LEU HD23 H 1 0.775 0.005 . 1 . . 995 . . 65 LEU HD23 . 26919 1 703 . 1 1 65 65 LEU C C 13 174.863 0.03 . 1 . . 447 . . 65 LEU C . 26919 1 704 . 1 1 65 65 LEU CA C 13 52.505 0.028 . 1 . . 134 . . 65 LEU CA . 26919 1 705 . 1 1 65 65 LEU CB C 13 41.037 0.033 . 1 . . 319 . . 65 LEU CB . 26919 1 706 . 1 1 65 65 LEU N N 15 125.752 0.029 . 1 . . 133 . . 65 LEU N . 26919 1 707 . 1 1 66 66 PRO HA H 1 4.617 0.003 . 1 . . 704 . . 66 PRO HA . 26919 1 708 . 1 1 66 66 PRO HB2 H 1 2.195 0.001 . 2 . . 702 . . 66 PRO HB2 . 26919 1 709 . 1 1 66 66 PRO HB3 H 1 2.043 0.001 . 2 . . 705 . . 66 PRO HB3 . 26919 1 710 . 1 1 66 66 PRO HG2 H 1 1.836 0.001 . 1 . . 703 . . 66 PRO HG2 . 26919 1 711 . 1 1 66 66 PRO HG3 H 1 1.836 0.001 . 1 . . 952 . . 66 PRO HG3 . 26919 1 712 . 1 1 66 66 PRO HD2 H 1 3.141 0.026 . 1 . . 872 . . 66 PRO HD2 . 26919 1 713 . 1 1 66 66 PRO HD3 H 1 3.141 0.026 . 1 . . 951 . . 66 PRO HD3 . 26919 1 714 . 1 1 66 66 PRO C C 13 175.161 0.008 . 1 . . 476 . . 66 PRO C . 26919 1 715 . 1 1 66 66 PRO CA C 13 62.218 0.029 . 1 . . 396 . . 66 PRO CA . 26919 1 716 . 1 1 66 66 PRO CB C 13 32.186 0.033 . 1 . . 397 . . 66 PRO CB . 26919 1 717 . 1 1 66 66 PRO CG C 13 25.966 0.026 . 1 . . 539 . . 66 PRO CG . 26919 1 718 . 1 1 66 66 PRO CD C 13 50.001 0.014 . 1 . . 538 . . 66 PRO CD . 26919 1 719 . 1 1 67 67 GLN H H 1 8.146 0.004 . 1 . . 222 . . 67 GLN H . 26919 1 720 . 1 1 67 67 GLN HA H 1 4.453 0.005 . 1 . . 819 . . 67 GLN HA . 26919 1 721 . 1 1 67 67 GLN HB2 H 1 1.588 0.004 . 2 . . 821 . . 67 GLN HB2 . 26919 1 722 . 1 1 67 67 GLN HB3 H 1 1.779 0.003 . 2 . . 820 . . 67 GLN HB3 . 26919 1 723 . 1 1 67 67 GLN HG2 H 1 2.184 0.008 . 1 . . 822 . . 67 GLN HG2 . 26919 1 724 . 1 1 67 67 GLN HG3 H 1 2.184 0.008 . 1 . . 953 . . 67 GLN HG3 . 26919 1 725 . 1 1 67 67 GLN HE21 H 1 7.543 0.005 . 1 . . 372 . . 67 GLN HE21 . 26919 1 726 . 1 1 67 67 GLN HE22 H 1 6.612 0.005 . 1 . . 374 . . 67 GLN HE22 . 26919 1 727 . 1 1 67 67 GLN C C 13 174.262 0.018 . 1 . . 477 . . 67 GLN C . 26919 1 728 . 1 1 67 67 GLN CA C 13 54.790 0.04 . 1 . . 224 . . 67 GLN CA . 26919 1 729 . 1 1 67 67 GLN CB C 13 32.198 0.09 . 1 . . 362 . . 67 GLN CB . 26919 1 730 . 1 1 67 67 GLN CG C 13 35.141 0.016 . 1 . . 571 . . 67 GLN CG . 26919 1 731 . 1 1 67 67 GLN N N 15 117.051 0.027 . 1 . . 223 . . 67 GLN N . 26919 1 732 . 1 1 67 67 GLN NE2 N 15 113.230 0.025 . 1 . . 373 . . 67 GLN NE2 . 26919 1 733 . 1 1 68 68 ASP H H 1 8.347 0.002 . 1 . . 240 . . 68 ASP H . 26919 1 734 . 1 1 68 68 ASP HA H 1 4.583 0.005 . 1 . . 977 . . 68 ASP HA . 26919 1 735 . 1 1 68 68 ASP HB2 H 1 2.884 0.005 . 1 . . 993 . . 68 ASP HB2 . 26919 1 736 . 1 1 68 68 ASP HB3 H 1 2.884 0.005 . 1 . . 996 . . 68 ASP HB3 . 26919 1 737 . 1 1 68 68 ASP C C 13 175.713 0.03 . 1 . . 483 . . 68 ASP C . 26919 1 738 . 1 1 68 68 ASP CA C 13 52.981 0.015 . 1 . . 242 . . 68 ASP CA . 26919 1 739 . 1 1 68 68 ASP CB C 13 39.624 0.036 . 1 . . 348 . . 68 ASP CB . 26919 1 740 . 1 1 68 68 ASP N N 15 121.740 0.037 . 1 . . 241 . . 68 ASP N . 26919 1 741 . 1 1 69 69 PRO HA H 1 3.862 0.001 . 1 . . 764 . . 69 PRO HA . 26919 1 742 . 1 1 69 69 PRO HB2 H 1 1.674 0.01 . 1 . . 875 . . 69 PRO HB2 . 26919 1 743 . 1 1 69 69 PRO HB3 H 1 1.674 0.01 . 1 . . 954 . . 69 PRO HB3 . 26919 1 744 . 1 1 69 69 PRO HG2 H 1 1.193 0.003 . 1 . . 876 . . 69 PRO HG2 . 26919 1 745 . 1 1 69 69 PRO HG3 H 1 1.193 0.003 . 1 . . 955 . . 69 PRO HG3 . 26919 1 746 . 1 1 69 69 PRO HD2 H 1 3.830 0.02 . 2 . . 873 . . 69 PRO HD2 . 26919 1 747 . 1 1 69 69 PRO HD3 H 1 3.899 0.004 . 2 . . 874 . . 69 PRO HD3 . 26919 1 748 . 1 1 69 69 PRO C C 13 175.485 0.03 . 1 . . 504 . . 69 PRO C . 26919 1 749 . 1 1 69 69 PRO CA C 13 64.343 0.01 . 1 . . 387 . . 69 PRO CA . 26919 1 750 . 1 1 69 69 PRO CB C 13 30.535 0.002 . 1 . . 388 . . 69 PRO CB . 26919 1 751 . 1 1 69 69 PRO CG C 13 27.504 0.055 . 1 . . 561 . . 69 PRO CG . 26919 1 752 . 1 1 69 69 PRO CD C 13 51.151 0.034 . 1 . . 591 . . 69 PRO CD . 26919 1 753 . 1 1 70 70 TRP H H 1 7.736 0.006 . 1 . . 153 . . 70 TRP H . 26919 1 754 . 1 1 70 70 TRP HA H 1 4.476 0.005 . 1 . . 609 . . 70 TRP HA . 26919 1 755 . 1 1 70 70 TRP HB2 H 1 3.392 0.005 . 1 . . 860 . . 70 TRP HB2 . 26919 1 756 . 1 1 70 70 TRP HB3 H 1 3.392 0.005 . 1 . . 956 . . 70 TRP HB3 . 26919 1 757 . 1 1 70 70 TRP HD1 H 1 7.257 0.005 . 1 . . 1018 . . 70 TRP HD1 . 26919 1 758 . 1 1 70 70 TRP HE1 H 1 10.095 0.005 . 1 . . 366 . . 70 TRP HE1 . 26919 1 759 . 1 1 70 70 TRP HZ2 H 1 7.567 0.003 . 1 . . 1014 . . 70 TRP HZ2 . 26919 1 760 . 1 1 70 70 TRP HZ3 H 1 6.908 0.009 . 1 . . 1016 . . 70 TRP HZ3 . 26919 1 761 . 1 1 70 70 TRP HH2 H 1 7.188 0.005 . 1 . . 1015 . . 70 TRP HH2 . 26919 1 762 . 1 1 70 70 TRP C C 13 176.179 0.03 . 1 . . 454 . . 70 TRP C . 26919 1 763 . 1 1 70 70 TRP CA C 13 58.612 0.049 . 1 . . 155 . . 70 TRP CA . 26919 1 764 . 1 1 70 70 TRP CB C 13 26.618 0.022 . 1 . . 324 . . 70 TRP CB . 26919 1 765 . 1 1 70 70 TRP CD1 C 13 126.187 0.03 . 1 . . 1041 . . 70 TRP CD1 . 26919 1 766 . 1 1 70 70 TRP CZ2 C 13 114.907 0.03 . 1 . . 1030 . . 70 TRP CZ2 . 26919 1 767 . 1 1 70 70 TRP CZ3 C 13 123.052 0.042 . 1 . . 1031 . . 70 TRP CZ3 . 26919 1 768 . 1 1 70 70 TRP N N 15 117.266 0.067 . 1 . . 154 . . 70 TRP N . 26919 1 769 . 1 1 70 70 TRP NE1 N 15 130.512 0.03 . 1 . . 367 . . 70 TRP NE1 . 26919 1 770 . 1 1 71 71 GLY H H 1 7.891 0.001 . 1 . . 250 . . 71 GLY H . 26919 1 771 . 1 1 71 71 GLY HA2 H 1 4.156 0.005 . 2 . . 638 . . 71 GLY HA2 . 26919 1 772 . 1 1 71 71 GLY HA3 H 1 3.518 0.002 . 2 . . 639 . . 71 GLY HA3 . 26919 1 773 . 1 1 71 71 GLY C C 13 174.196 0.03 . 1 . . 486 . . 71 GLY C . 26919 1 774 . 1 1 71 71 GLY CA C 13 45.437 0.039 . 1 . . 252 . . 71 GLY CA . 26919 1 775 . 1 1 71 71 GLY N N 15 108.326 0.036 . 1 . . 251 . . 71 GLY N . 26919 1 776 . 1 1 72 72 SER H H 1 8.010 0.008 . 1 . . 237 . . 72 SER H . 26919 1 777 . 1 1 72 72 SER HA H 1 4.716 0.008 . 1 . . 772 . . 72 SER HA . 26919 1 778 . 1 1 72 72 SER HB2 H 1 3.729 0.001 . 1 . . 771 . . 72 SER HB2 . 26919 1 779 . 1 1 72 72 SER HB3 H 1 3.729 0.001 . 1 . . 957 . . 72 SER HB3 . 26919 1 780 . 1 1 72 72 SER C C 13 173.424 0.03 . 1 . . 482 . . 72 SER C . 26919 1 781 . 1 1 72 72 SER CA C 13 57.491 0.043 . 1 . . 239 . . 72 SER CA . 26919 1 782 . 1 1 72 72 SER CB C 13 64.480 0.046 . 1 . . 347 . . 72 SER CB . 26919 1 783 . 1 1 72 72 SER N N 15 116.733 0.08 . 1 . . 238 . . 72 SER N . 26919 1 784 . 1 1 73 73 ASP H H 1 8.597 0.005 . 1 . . 23 . . 73 ASP H . 26919 1 785 . 1 1 73 73 ASP HA H 1 4.650 0.002 . 1 . . 845 . . 73 ASP HA . 26919 1 786 . 1 1 73 73 ASP HB2 H 1 2.847 0.003 . 2 . . 846 . . 73 ASP HB2 . 26919 1 787 . 1 1 73 73 ASP HB3 H 1 2.308 0.001 . 2 . . 847 . . 73 ASP HB3 . 26919 1 788 . 1 1 73 73 ASP C C 13 179.316 0.03 . 1 . . 412 . . 73 ASP C . 26919 1 789 . 1 1 73 73 ASP CA C 13 55.172 0.016 . 1 . . 25 . . 73 ASP CA . 26919 1 790 . 1 1 73 73 ASP CB C 13 40.883 0.022 . 1 . . 289 . . 73 ASP CB . 26919 1 791 . 1 1 73 73 ASP N N 15 123.772 0.026 . 1 . . 24 . . 73 ASP N . 26919 1 792 . 1 1 74 74 TYR H H 1 9.181 0.003 . 1 . . 257 . . 74 TYR H . 26919 1 793 . 1 1 74 74 TYR HA H 1 4.355 0.015 . 1 . . 861 . . 74 TYR HA . 26919 1 794 . 1 1 74 74 TYR HB2 H 1 2.486 0.003 . 1 . . 603 . . 74 TYR HB2 . 26919 1 795 . 1 1 74 74 TYR HB3 H 1 2.486 0.003 . 1 . . 958 . . 74 TYR HB3 . 26919 1 796 . 1 1 74 74 TYR HD1 H 1 6.887 0.009 . 1 . . 1005 . . 74 TYR HD1 . 26919 1 797 . 1 1 74 74 TYR HD2 H 1 6.887 0.009 . 1 . . 1005 . . 74 TYR HD2 . 26919 1 798 . 1 1 74 74 TYR HE1 H 1 6.505 0.011 . 1 . . 1004 . . 74 TYR HE1 . 26919 1 799 . 1 1 74 74 TYR HE2 H 1 6.505 0.011 . 1 . . 1004 . . 74 TYR HE2 . 26919 1 800 . 1 1 74 74 TYR C C 13 173.783 0.03 . 1 . . 488 . . 74 TYR C . 26919 1 801 . 1 1 74 74 TYR CA C 13 60.508 0.037 . 1 . . 259 . . 74 TYR CA . 26919 1 802 . 1 1 74 74 TYR CB C 13 39.200 0.072 . 1 . . 351 . . 74 TYR CB . 26919 1 803 . 1 1 74 74 TYR CD1 C 13 132.704 0.026 . 1 . . 1025 . . 74 TYR CD1 . 26919 1 804 . 1 1 74 74 TYR CD2 C 13 132.704 0.026 . 1 . . 1025 . . 74 TYR CD2 . 26919 1 805 . 1 1 74 74 TYR CE1 C 13 118.989 0.055 . 1 . . 1024 . . 74 TYR CE1 . 26919 1 806 . 1 1 74 74 TYR CE2 C 13 118.989 0.055 . 1 . . 1024 . . 74 TYR CE2 . 26919 1 807 . 1 1 74 74 TYR N N 15 124.634 0.059 . 1 . . 258 . . 74 TYR N . 26919 1 808 . 1 1 75 75 GLN H H 1 8.555 0.002 . 1 . . 234 . . 75 GLN H . 26919 1 809 . 1 1 75 75 GLN HA H 1 4.286 0.003 . 1 . . 654 . . 75 GLN HA . 26919 1 810 . 1 1 75 75 GLN HB2 H 1 1.393 0.007 . 1 . . 877 . . 75 GLN HB2 . 26919 1 811 . 1 1 75 75 GLN HB3 H 1 1.393 0.007 . 1 . . 959 . . 75 GLN HB3 . 26919 1 812 . 1 1 75 75 GLN HG2 H 1 1.794 0.001 . 2 . . 655 . . 75 GLN HG2 . 26919 1 813 . 1 1 75 75 GLN HG3 H 1 1.933 0.004 . 2 . . 656 . . 75 GLN HG3 . 26919 1 814 . 1 1 75 75 GLN HE21 H 1 7.077 0.021 . 1 . . 368 . . 75 GLN HE21 . 26919 1 815 . 1 1 75 75 GLN C C 13 173.489 0.03 . 1 . . 481 . . 75 GLN C . 26919 1 816 . 1 1 75 75 GLN CA C 13 53.445 0.015 . 1 . . 236 . . 75 GLN CA . 26919 1 817 . 1 1 75 75 GLN CB C 13 31.179 0.057 . 1 . . 346 . . 75 GLN CB . 26919 1 818 . 1 1 75 75 GLN CG C 13 33.649 0.031 . 1 . . 525 . . 75 GLN CG . 26919 1 819 . 1 1 75 75 GLN N N 15 117.289 0.053 . 1 . . 235 . . 75 GLN N . 26919 1 820 . 1 1 75 75 GLN NE2 N 15 114.733 0.151 . 1 . . 285 . . 75 GLN NE2 . 26919 1 821 . 1 1 76 76 LEU H H 1 7.811 0.004 . 1 . . 65 . . 76 LEU H . 26919 1 822 . 1 1 76 76 LEU HA H 1 5.372 0.0 . 1 . . 709 . . 76 LEU HA . 26919 1 823 . 1 1 76 76 LEU HB2 H 1 1.756 0.001 . 2 . . 706 . . 76 LEU HB2 . 26919 1 824 . 1 1 76 76 LEU HB3 H 1 1.175 0.007 . 2 . . 707 . . 76 LEU HB3 . 26919 1 825 . 1 1 76 76 LEU HD11 H 1 0.664 0.005 . 2 . . 878 . . 76 LEU HD11 . 26919 1 826 . 1 1 76 76 LEU HD12 H 1 0.664 0.005 . 2 . . 878 . . 76 LEU HD12 . 26919 1 827 . 1 1 76 76 LEU HD13 H 1 0.664 0.005 . 2 . . 878 . . 76 LEU HD13 . 26919 1 828 . 1 1 76 76 LEU HD21 H 1 0.502 0.005 . 2 . . 708 . . 76 LEU HD21 . 26919 1 829 . 1 1 76 76 LEU HD22 H 1 0.502 0.005 . 2 . . 708 . . 76 LEU HD22 . 26919 1 830 . 1 1 76 76 LEU HD23 H 1 0.502 0.005 . 2 . . 708 . . 76 LEU HD23 . 26919 1 831 . 1 1 76 76 LEU C C 13 175.906 0.03 . 1 . . 423 . . 76 LEU C . 26919 1 832 . 1 1 76 76 LEU CA C 13 53.176 0.073 . 1 . . 67 . . 76 LEU CA . 26919 1 833 . 1 1 76 76 LEU CB C 13 46.364 0.017 . 1 . . 299 . . 76 LEU CB . 26919 1 834 . 1 1 76 76 LEU CD1 C 13 25.881 0.03 . 2 . . 540 . . 76 LEU CD1 . 26919 1 835 . 1 1 76 76 LEU CD2 C 13 25.232 0.03 . 2 . . 541 . . 76 LEU CD2 . 26919 1 836 . 1 1 76 76 LEU N N 15 120.221 0.035 . 1 . . 66 . . 76 LEU N . 26919 1 837 . 1 1 77 77 LEU H H 1 9.323 0.002 . 1 . . 77 . . 77 LEU H . 26919 1 838 . 1 1 77 77 LEU HA H 1 4.806 0.004 . 1 . . 751 . . 77 LEU HA . 26919 1 839 . 1 1 77 77 LEU HB2 H 1 1.934 0.003 . 2 . . 754 . . 77 LEU HB2 . 26919 1 840 . 1 1 77 77 LEU HB3 H 1 1.620 0.002 . 2 . . 752 . . 77 LEU HB3 . 26919 1 841 . 1 1 77 77 LEU HG H 1 1.726 0.007 . 1 . . 755 . . 77 LEU HG . 26919 1 842 . 1 1 77 77 LEU HD11 H 1 1.061 0.002 . 2 . . 960 . . 77 LEU HD11 . 26919 1 843 . 1 1 77 77 LEU HD12 H 1 1.061 0.002 . 2 . . 960 . . 77 LEU HD12 . 26919 1 844 . 1 1 77 77 LEU HD13 H 1 1.061 0.002 . 2 . . 960 . . 77 LEU HD13 . 26919 1 845 . 1 1 77 77 LEU HD21 H 1 1.046 0.012 . 2 . . 753 . . 77 LEU HD21 . 26919 1 846 . 1 1 77 77 LEU HD22 H 1 1.046 0.012 . 2 . . 753 . . 77 LEU HD22 . 26919 1 847 . 1 1 77 77 LEU HD23 H 1 1.046 0.012 . 2 . . 753 . . 77 LEU HD23 . 26919 1 848 . 1 1 77 77 LEU C C 13 174.671 0.03 . 1 . . 427 . . 77 LEU C . 26919 1 849 . 1 1 77 77 LEU CA C 13 55.001 0.078 . 1 . . 79 . . 77 LEU CA . 26919 1 850 . 1 1 77 77 LEU CB C 13 45.522 0.064 . 1 . . 303 . . 77 LEU CB . 26919 1 851 . 1 1 77 77 LEU CG C 13 26.946 0.033 . 1 . . 554 . . 77 LEU CG . 26919 1 852 . 1 1 77 77 LEU CD1 C 13 24.678 0.038 . 2 . . 556 . . 77 LEU CD1 . 26919 1 853 . 1 1 77 77 LEU CD2 C 13 25.328 0.007 . 2 . . 555 . . 77 LEU CD2 . 26919 1 854 . 1 1 77 77 LEU N N 15 129.067 0.024 . 1 . . 78 . . 77 LEU N . 26919 1 855 . 1 1 78 78 SER H H 1 8.642 0.004 . 1 . . 12 . . 78 SER H . 26919 1 856 . 1 1 78 78 SER N N 15 119.541 0.095 . 1 . . 13 . . 78 SER N . 26919 1 857 . 1 1 79 79 PRO HA H 1 4.969 0.002 . 1 . . 617 . . 79 PRO HA . 26919 1 858 . 1 1 79 79 PRO HB2 H 1 2.562 0.002 . 1 . . 618 . . 79 PRO HB2 . 26919 1 859 . 1 1 79 79 PRO HB3 H 1 2.562 0.002 . 1 . . 961 . . 79 PRO HB3 . 26919 1 860 . 1 1 79 79 PRO HG2 H 1 2.009 0.009 . 1 . . 619 . . 79 PRO HG2 . 26919 1 861 . 1 1 79 79 PRO HG3 H 1 2.009 0.009 . 1 . . 962 . . 79 PRO HG3 . 26919 1 862 . 1 1 79 79 PRO C C 13 176.356 0.03 . 1 . . 502 . . 79 PRO C . 26919 1 863 . 1 1 79 79 PRO CA C 13 63.371 0.024 . 1 . . 383 . . 79 PRO CA . 26919 1 864 . 1 1 79 79 PRO CB C 13 34.659 0.003 . 1 . . 384 . . 79 PRO CB . 26919 1 865 . 1 1 79 79 PRO CG C 13 25.712 0.029 . 1 . . 513 . . 79 PRO CG . 26919 1 866 . 1 1 79 79 PRO CD C 13 50.729 0.03 . 1 . . 582 . . 79 PRO CD . 26919 1 867 . 1 1 80 80 GLY H H 1 7.554 0.003 . 1 . . 102 . . 80 GLY H . 26919 1 868 . 1 1 80 80 GLY HA2 H 1 3.845 0.005 . 2 . . 726 . . 80 GLY HA2 . 26919 1 869 . 1 1 80 80 GLY HA3 H 1 3.721 0.001 . 2 . . 727 . . 80 GLY HA3 . 26919 1 870 . 1 1 80 80 GLY C C 13 173.665 0.016 . 1 . . 436 . . 80 GLY C . 26919 1 871 . 1 1 80 80 GLY CA C 13 44.879 0.038 . 1 . . 104 . . 80 GLY CA . 26919 1 872 . 1 1 80 80 GLY N N 15 108.634 0.044 . 1 . . 103 . . 80 GLY N . 26919 1 873 . 1 1 81 81 GLN H H 1 9.168 0.006 . 1 . . 123 . . 81 GLN H . 26919 1 874 . 1 1 81 81 GLN HA H 1 4.211 0.001 . 1 . . 647 . . 81 GLN HA . 26919 1 875 . 1 1 81 81 GLN HB2 H 1 1.427 0.018 . 1 . . 649 . . 81 GLN HB2 . 26919 1 876 . 1 1 81 81 GLN HB3 H 1 1.427 0.018 . 1 . . 963 . . 81 GLN HB3 . 26919 1 877 . 1 1 81 81 GLN HG2 H 1 1.915 0.002 . 1 . . 648 . . 81 GLN HG2 . 26919 1 878 . 1 1 81 81 GLN HG3 H 1 1.915 0.002 . 1 . . 964 . . 81 GLN HG3 . 26919 1 879 . 1 1 81 81 GLN C C 13 177.143 0.011 . 1 . . 443 . . 81 GLN C . 26919 1 880 . 1 1 81 81 GLN CA C 13 55.880 0.014 . 1 . . 125 . . 81 GLN CA . 26919 1 881 . 1 1 81 81 GLN CB C 13 29.895 0.01 . 1 . . 316 . . 81 GLN CB . 26919 1 882 . 1 1 81 81 GLN CG C 13 33.648 0.02 . 1 . . 522 . . 81 GLN CG . 26919 1 883 . 1 1 81 81 GLN N N 15 116.873 0.058 . 1 . . 124 . . 81 GLN N . 26919 1 884 . 1 1 82 82 HIS H H 1 9.577 0.017 . 1 . . 205 . . 82 HIS H . 26919 1 885 . 1 1 82 82 HIS HA H 1 4.261 0.003 . 1 . . 850 . . 82 HIS HA . 26919 1 886 . 1 1 82 82 HIS HB2 H 1 2.694 0.005 . 2 . . 851 . . 82 HIS HB2 . 26919 1 887 . 1 1 82 82 HIS HB3 H 1 2.502 0.005 . 2 . . 852 . . 82 HIS HB3 . 26919 1 888 . 1 1 82 82 HIS HD2 H 1 5.667 0.003 . 1 . . 1019 . . 82 HIS HD2 . 26919 1 889 . 1 1 82 82 HIS C C 13 174.220 0.013 . 1 . . 469 . . 82 HIS C . 26919 1 890 . 1 1 82 82 HIS CA C 13 55.884 0.033 . 1 . . 207 . . 82 HIS CA . 26919 1 891 . 1 1 82 82 HIS CB C 13 28.834 0.106 . 1 . . 338 . . 82 HIS CB . 26919 1 892 . 1 1 82 82 HIS CD2 C 13 119.571 0.03 . 1 . . 1043 . . 82 HIS CD2 . 26919 1 893 . 1 1 82 82 HIS N N 15 120.464 0.063 . 1 . . 206 . . 82 HIS N . 26919 1 894 . 1 1 83 83 GLY H H 1 7.729 0.009 . 1 . . 32 . . 83 GLY H . 26919 1 895 . 1 1 83 83 GLY HA2 H 1 4.046 0.024 . 1 . . 853 . . 83 GLY HA2 . 26919 1 896 . 1 1 83 83 GLY HA3 H 1 4.046 0.024 . 1 . . 965 . . 83 GLY HA3 . 26919 1 897 . 1 1 83 83 GLY C C 13 172.387 0.018 . 1 . . 415 . . 83 GLY C . 26919 1 898 . 1 1 83 83 GLY CA C 13 44.078 0.041 . 1 . . 34 . . 83 GLY CA . 26919 1 899 . 1 1 83 83 GLY N N 15 108.548 0.02 . 1 . . 33 . . 83 GLY N . 26919 1 900 . 1 1 84 84 GLN H H 1 8.637 0.005 . 1 . . 46 . . 84 GLN H . 26919 1 901 . 1 1 84 84 GLN HA H 1 4.028 0.001 . 1 . . 823 . . 84 GLN HA . 26919 1 902 . 1 1 84 84 GLN HB2 H 1 2.210 0.005 . 1 . . 826 . . 84 GLN HB2 . 26919 1 903 . 1 1 84 84 GLN HB3 H 1 2.210 0.005 . 1 . . 966 . . 84 GLN HB3 . 26919 1 904 . 1 1 84 84 GLN HG2 H 1 2.482 0.001 . 2 . . 825 . . 84 GLN HG2 . 26919 1 905 . 1 1 84 84 GLN HG3 H 1 2.619 0.0 . 2 . . 824 . . 84 GLN HG3 . 26919 1 906 . 1 1 84 84 GLN HE21 H 1 7.655 0.022 . 1 . . 38 . . 84 GLN HE21 . 26919 1 907 . 1 1 84 84 GLN HE22 H 1 6.931 0.021 . 1 . . 256 . . 84 GLN HE22 . 26919 1 908 . 1 1 84 84 GLN C C 13 178.499 0.03 . 1 . . 472 . . 84 GLN C . 26919 1 909 . 1 1 84 84 GLN CA C 13 60.137 0.054 . 1 . . 394 . . 84 GLN CA . 26919 1 910 . 1 1 84 84 GLN CB C 13 29.124 0.008 . 1 . . 395 . . 84 GLN CB . 26919 1 911 . 1 1 84 84 GLN CG C 13 34.649 0.007 . 1 . . 572 . . 84 GLN CG . 26919 1 912 . 1 1 84 84 GLN N N 15 119.284 0.104 . 1 . . 47 . . 84 GLN N . 26919 1 913 . 1 1 84 84 GLN NE2 N 15 112.208 0.235 . 1 . . 39 . . 84 GLN NE2 . 26919 1 914 . 1 1 85 85 VAL H H 1 7.783 0.003 . 1 . . 214 . . 85 VAL H . 26919 1 915 . 1 1 85 85 VAL HA H 1 4.385 0.002 . 1 . . 811 . . 85 VAL HA . 26919 1 916 . 1 1 85 85 VAL HB H 1 1.450 0.005 . 1 . . 812 . . 85 VAL HB . 26919 1 917 . 1 1 85 85 VAL HG11 H 1 0.377 0.003 . 2 . . 810 . . 85 VAL HG11 . 26919 1 918 . 1 1 85 85 VAL HG12 H 1 0.377 0.003 . 2 . . 810 . . 85 VAL HG12 . 26919 1 919 . 1 1 85 85 VAL HG13 H 1 0.377 0.003 . 2 . . 810 . . 85 VAL HG13 . 26919 1 920 . 1 1 85 85 VAL HG21 H 1 0.267 0.005 . 2 . . 813 . . 85 VAL HG21 . 26919 1 921 . 1 1 85 85 VAL HG22 H 1 0.267 0.005 . 2 . . 813 . . 85 VAL HG22 . 26919 1 922 . 1 1 85 85 VAL HG23 H 1 0.267 0.005 . 2 . . 813 . . 85 VAL HG23 . 26919 1 923 . 1 1 85 85 VAL C C 13 173.067 0.013 . 1 . . 473 . . 85 VAL C . 26919 1 924 . 1 1 85 85 VAL CA C 13 60.207 0.015 . 1 . . 391 . . 85 VAL CA . 26919 1 925 . 1 1 85 85 VAL CB C 13 34.594 0.046 . 1 . . 341 . . 85 VAL CB . 26919 1 926 . 1 1 85 85 VAL CG1 C 13 19.900 0.026 . 2 . . 570 . . 85 VAL CG1 . 26919 1 927 . 1 1 85 85 VAL CG2 C 13 21.384 0.008 . 2 . . 594 . . 85 VAL CG2 . 26919 1 928 . 1 1 85 85 VAL N N 15 112.192 0.034 . 1 . . 215 . . 85 VAL N . 26919 1 929 . 1 1 86 86 ASP H H 1 8.803 0.004 . 1 . . 187 . . 86 ASP H . 26919 1 930 . 1 1 86 86 ASP HA H 1 4.355 0.005 . 1 . . 862 . . 86 ASP HA . 26919 1 931 . 1 1 86 86 ASP HB2 H 1 3.174 0.005 . 2 . . 775 . . 86 ASP HB2 . 26919 1 932 . 1 1 86 86 ASP HB3 H 1 2.940 0.005 . 2 . . 776 . . 86 ASP HB3 . 26919 1 933 . 1 1 86 86 ASP C C 13 174.724 0.019 . 1 . . 465 . . 86 ASP C . 26919 1 934 . 1 1 86 86 ASP CA C 13 52.709 0.021 . 1 . . 189 . . 86 ASP CA . 26919 1 935 . 1 1 86 86 ASP CB C 13 42.409 0.011 . 1 . . 334 . . 86 ASP CB . 26919 1 936 . 1 1 86 86 ASP N N 15 125.851 0.025 . 1 . . 188 . . 86 ASP N . 26919 1 937 . 1 1 87 87 ILE H H 1 8.307 0.016 . 1 . . 68 . . 87 ILE H . 26919 1 938 . 1 1 87 87 ILE HA H 1 5.508 0.005 . 1 . . 759 . . 87 ILE HA . 26919 1 939 . 1 1 87 87 ILE HG12 H 1 1.456 0.005 . 1 . . 756 . . 87 ILE HG12 . 26919 1 940 . 1 1 87 87 ILE HG13 H 1 1.456 0.005 . 1 . . 967 . . 87 ILE HG13 . 26919 1 941 . 1 1 87 87 ILE HG21 H 1 0.839 0.005 . 1 . . 757 . . 87 ILE HG21 . 26919 1 942 . 1 1 87 87 ILE HG22 H 1 0.839 0.005 . 1 . . 757 . . 87 ILE HG22 . 26919 1 943 . 1 1 87 87 ILE HG23 H 1 0.839 0.005 . 1 . . 757 . . 87 ILE HG23 . 26919 1 944 . 1 1 87 87 ILE HD11 H 1 0.734 0.01 . 1 . . 758 . . 87 ILE HD11 . 26919 1 945 . 1 1 87 87 ILE HD12 H 1 0.734 0.01 . 1 . . 758 . . 87 ILE HD12 . 26919 1 946 . 1 1 87 87 ILE HD13 H 1 0.734 0.01 . 1 . . 758 . . 87 ILE HD13 . 26919 1 947 . 1 1 87 87 ILE C C 13 175.281 0.016 . 1 . . 424 . . 87 ILE C . 26919 1 948 . 1 1 87 87 ILE CA C 13 58.942 0.009 . 1 . . 70 . . 87 ILE CA . 26919 1 949 . 1 1 87 87 ILE CB C 13 41.934 0.037 . 1 . . 300 . . 87 ILE CB . 26919 1 950 . 1 1 87 87 ILE CG1 C 13 26.724 0.03 . 1 . . 557 . . 87 ILE CG1 . 26919 1 951 . 1 1 87 87 ILE CG2 C 13 19.996 0.03 . 1 . . 558 . . 87 ILE CG2 . 26919 1 952 . 1 1 87 87 ILE CD1 C 13 16.625 0.013 . 1 . . 559 . . 87 ILE CD1 . 26919 1 953 . 1 1 87 87 ILE N N 15 120.696 0.08 . 1 . . 69 . . 87 ILE N . 26919 1 954 . 1 1 88 88 PHE H H 1 8.858 0.002 . 1 . . 20 . . 88 PHE H . 26919 1 955 . 1 1 88 88 PHE HA H 1 5.649 0.001 . 1 . . 678 . . 88 PHE HA . 26919 1 956 . 1 1 88 88 PHE HB2 H 1 3.396 0.001 . 2 . . 676 . . 88 PHE HB2 . 26919 1 957 . 1 1 88 88 PHE HB3 H 1 2.748 0.001 . 2 . . 677 . . 88 PHE HB3 . 26919 1 958 . 1 1 88 88 PHE HD1 H 1 6.982 0.005 . 1 . . 1009 . . 88 PHE HD1 . 26919 1 959 . 1 1 88 88 PHE HD2 H 1 6.982 0.005 . 1 . . 1009 . . 88 PHE HD2 . 26919 1 960 . 1 1 88 88 PHE HE1 H 1 7.924 0.0 . 1 . . 1010 . . 88 PHE HE1 . 26919 1 961 . 1 1 88 88 PHE HE2 H 1 7.924 0.0 . 1 . . 1010 . . 88 PHE HE2 . 26919 1 962 . 1 1 88 88 PHE HZ H 1 6.910 0.0 . 1 . . 1011 . . 88 PHE HZ . 26919 1 963 . 1 1 88 88 PHE C C 13 174.054 0.013 . 1 . . 411 . . 88 PHE C . 26919 1 964 . 1 1 88 88 PHE CA C 13 55.712 0.022 . 1 . . 22 . . 88 PHE CA . 26919 1 965 . 1 1 88 88 PHE CB C 13 41.358 0.072 . 1 . . 288 . . 88 PHE CB . 26919 1 966 . 1 1 88 88 PHE CD1 C 13 132.923 0.03 . 1 . . 1037 . . 88 PHE CD1 . 26919 1 967 . 1 1 88 88 PHE CD2 C 13 132.923 0.03 . 1 . . 1037 . . 88 PHE CD2 . 26919 1 968 . 1 1 88 88 PHE N N 15 118.658 0.078 . 1 . . 21 . . 88 PHE N . 26919 1 969 . 1 1 89 89 SER H H 1 9.119 0.004 . 1 . . 178 . . 89 SER H . 26919 1 970 . 1 1 89 89 SER HA H 1 4.417 0.005 . 1 . . 784 . . 89 SER HA . 26919 1 971 . 1 1 89 89 SER HB2 H 1 3.817 0.001 . 1 . . 785 . . 89 SER HB2 . 26919 1 972 . 1 1 89 89 SER HB3 H 1 3.817 0.001 . 1 . . 968 . . 89 SER HB3 . 26919 1 973 . 1 1 89 89 SER C C 13 176.216 0.042 . 1 . . 462 . . 89 SER C . 26919 1 974 . 1 1 89 89 SER CA C 13 54.510 0.02 . 1 . . 180 . . 89 SER CA . 26919 1 975 . 1 1 89 89 SER CB C 13 65.392 0.091 . 1 . . 331 . . 89 SER CB . 26919 1 976 . 1 1 89 89 SER N N 15 112.211 0.038 . 1 . . 179 . . 89 SER N . 26919 1 977 . 1 1 90 90 LEU H H 1 9.604 0.003 . 1 . . 202 . . 90 LEU H . 26919 1 978 . 1 1 90 90 LEU HA H 1 3.995 0.002 . 1 . . 611 . . 90 LEU HA . 26919 1 979 . 1 1 90 90 LEU HB2 H 1 1.771 0.49 . 1 . . 612 . . 90 LEU HB2 . 26919 1 980 . 1 1 90 90 LEU HB3 H 1 1.771 0.49 . 1 . . 969 . . 90 LEU HB3 . 26919 1 981 . 1 1 90 90 LEU HD11 H 1 0.788 0.004 . 2 . . 610 . . 90 LEU HD11 . 26919 1 982 . 1 1 90 90 LEU HD12 H 1 0.788 0.004 . 2 . . 610 . . 90 LEU HD12 . 26919 1 983 . 1 1 90 90 LEU HD13 H 1 0.788 0.004 . 2 . . 610 . . 90 LEU HD13 . 26919 1 984 . 1 1 90 90 LEU HD21 H 1 1.077 0.002 . 2 . . 613 . . 90 LEU HD21 . 26919 1 985 . 1 1 90 90 LEU HD22 H 1 1.077 0.002 . 2 . . 613 . . 90 LEU HD22 . 26919 1 986 . 1 1 90 90 LEU HD23 H 1 1.077 0.002 . 2 . . 613 . . 90 LEU HD23 . 26919 1 987 . 1 1 90 90 LEU C C 13 178.162 0.02 . 1 . . 468 . . 90 LEU C . 26919 1 988 . 1 1 90 90 LEU CA C 13 56.392 0.02 . 1 . . 204 . . 90 LEU CA . 26919 1 989 . 1 1 90 90 LEU CB C 13 41.992 0.023 . 1 . . 337 . . 90 LEU CB . 26919 1 990 . 1 1 90 90 LEU CD1 C 13 23.786 0.018 . 2 . . 511 . . 90 LEU CD1 . 26919 1 991 . 1 1 90 90 LEU CD2 C 13 24.693 0.076 . 2 . . 510 . . 90 LEU CD2 . 26919 1 992 . 1 1 90 90 LEU N N 15 126.992 0.028 . 1 . . 203 . . 90 LEU N . 26919 1 993 . 1 1 91 91 GLY H H 1 8.894 0.005 . 1 . . 156 . . 91 GLY H . 26919 1 994 . 1 1 91 91 GLY C C 13 170.787 0.03 . 1 . . 455 . . 91 GLY C . 26919 1 995 . 1 1 91 91 GLY CA C 13 44.545 0.03 . 1 . . 158 . . 91 GLY CA . 26919 1 996 . 1 1 91 91 GLY N N 15 109.187 0.046 . 1 . . 157 . . 91 GLY N . 26919 1 997 . 1 1 92 92 PRO HA H 1 2.526 0.005 . 1 . . 684 . . 92 PRO HA . 26919 1 998 . 1 1 92 92 PRO HB2 H 1 1.367 0.007 . 2 . . 686 . . 92 PRO HB2 . 26919 1 999 . 1 1 92 92 PRO HB3 H 1 1.414 0.014 . 2 . . 685 . . 92 PRO HB3 . 26919 1 1000 . 1 1 92 92 PRO HG2 H 1 1.183 0.002 . 2 . . 879 . . 92 PRO HG2 . 26919 1 1001 . 1 1 92 92 PRO HG3 H 1 1.720 0.001 . 2 . . 880 . . 92 PRO HG3 . 26919 1 1002 . 1 1 92 92 PRO HD2 H 1 2.035 0.622 . 1 . . 881 . . 92 PRO HD2 . 26919 1 1003 . 1 1 92 92 PRO HD3 H 1 2.035 0.622 . 1 . . 970 . . 92 PRO HD3 . 26919 1 1004 . 1 1 92 92 PRO C C 13 177.937 0.03 . 1 . . 503 . . 92 PRO C . 26919 1 1005 . 1 1 92 92 PRO CA C 13 64.093 0.024 . 1 . . 385 . . 92 PRO CA . 26919 1 1006 . 1 1 92 92 PRO CB C 13 30.724 0.007 . 1 . . 386 . . 92 PRO CB . 26919 1 1007 . 1 1 92 92 PRO CG C 13 25.842 0.052 . 1 . . 532 . . 92 PRO CG . 26919 1 1008 . 1 1 92 92 PRO CD C 13 48.180 0.024 . 1 . . 583 . . 92 PRO CD . 26919 1 1009 . 1 1 93 93 ASP H H 1 9.414 0.004 . 1 . . 144 . . 93 ASP H . 26919 1 1010 . 1 1 93 93 ASP HA H 1 4.117 0.002 . 1 . . 687 . . 93 ASP HA . 26919 1 1011 . 1 1 93 93 ASP HB2 H 1 2.858 0.001 . 2 . . 688 . . 93 ASP HB2 . 26919 1 1012 . 1 1 93 93 ASP HB3 H 1 2.483 0.001 . 2 . . 689 . . 93 ASP HB3 . 26919 1 1013 . 1 1 93 93 ASP C C 13 177.888 0.013 . 1 . . 451 . . 93 ASP C . 26919 1 1014 . 1 1 93 93 ASP CA C 13 53.898 0.033 . 1 . . 146 . . 93 ASP CA . 26919 1 1015 . 1 1 93 93 ASP CB C 13 38.937 0.022 . 1 . . 322 . . 93 ASP CB . 26919 1 1016 . 1 1 93 93 ASP N N 15 115.572 0.042 . 1 . . 145 . . 93 ASP N . 26919 1 1017 . 1 1 94 94 GLY H H 1 7.645 0.007 . 1 . . 170 . . 94 GLY H . 26919 1 1018 . 1 1 94 94 GLY HA2 H 1 3.920 0.0 . 2 . . 738 . . 94 GLY HA2 . 26919 1 1019 . 1 1 94 94 GLY HA3 H 1 3.399 0.002 . 2 . . 739 . . 94 GLY HA3 . 26919 1 1020 . 1 1 94 94 GLY C C 13 172.967 0.01 . 1 . . 460 . . 94 GLY C . 26919 1 1021 . 1 1 94 94 GLY CA C 13 46.624 0.035 . 1 . . 172 . . 94 GLY CA . 26919 1 1022 . 1 1 94 94 GLY N N 15 107.364 0.046 . 1 . . 171 . . 94 GLY N . 26919 1 1023 . 1 1 95 95 VAL H H 1 8.338 0.004 . 1 . . 193 . . 95 VAL H . 26919 1 1024 . 1 1 95 95 VAL N N 15 119.522 0.097 . 1 . . 195 . . 95 VAL N . 26919 1 1025 . 1 1 96 96 PRO HA H 1 4.772 0.002 . 1 . . 741 . . 96 PRO HA . 26919 1 1026 . 1 1 96 96 PRO HB2 H 1 2.187 0.001 . 2 . . 742 . . 96 PRO HB2 . 26919 1 1027 . 1 1 96 96 PRO HB3 H 1 2.313 0.004 . 2 . . 743 . . 96 PRO HB3 . 26919 1 1028 . 1 1 96 96 PRO HG2 H 1 2.159 0.005 . 2 . . 882 . . 96 PRO HG2 . 26919 1 1029 . 1 1 96 96 PRO HG3 H 1 2.210 0.005 . 2 . . 883 . . 96 PRO HG3 . 26919 1 1030 . 1 1 96 96 PRO C C 13 175.716 0.03 . 1 . . 507 . . 96 PRO C . 26919 1 1031 . 1 1 96 96 PRO CA C 13 63.498 0.021 . 1 . . 398 . . 96 PRO CA . 26919 1 1032 . 1 1 96 96 PRO CB C 13 32.378 0.046 . 1 . . 399 . . 96 PRO CB . 26919 1 1033 . 1 1 96 96 PRO CG C 13 26.568 0.03 . 1 . . 551 . . 96 PRO CG . 26919 1 1034 . 1 1 96 96 PRO CD C 13 51.407 0.03 . 1 . . 584 . . 96 PRO CD . 26919 1 1035 . 1 1 97 97 GLU H H 1 10.443 0.006 . 1 . . 231 . . 97 GLU H . 26919 1 1036 . 1 1 97 97 GLU HA H 1 3.635 0.003 . 1 . . 793 . . 97 GLU HA . 26919 1 1037 . 1 1 97 97 GLU HB2 H 1 2.072 0.002 . 1 . . 794 . . 97 GLU HB2 . 26919 1 1038 . 1 1 97 97 GLU HB3 H 1 2.072 0.002 . 1 . . 971 . . 97 GLU HB3 . 26919 1 1039 . 1 1 97 97 GLU HG2 H 1 2.093 0.012 . 2 . . 903 . . 97 GLU HG2 . 26919 1 1040 . 1 1 97 97 GLU HG3 H 1 2.060 0.004 . 2 . . 902 . . 97 GLU HG3 . 26919 1 1041 . 1 1 97 97 GLU C C 13 175.737 0.025 . 1 . . 480 . . 97 GLU C . 26919 1 1042 . 1 1 97 97 GLU CA C 13 56.731 0.032 . 1 . . 233 . . 97 GLU CA . 26919 1 1043 . 1 1 97 97 GLU CB C 13 26.458 0.063 . 1 . . 345 . . 97 GLU CB . 26919 1 1044 . 1 1 97 97 GLU CG C 13 37.242 0.005 . 1 . . 566 . . 97 GLU CG . 26919 1 1045 . 1 1 97 97 GLU N N 15 118.361 0.048 . 1 . . 232 . . 97 GLU N . 26919 1 1046 . 1 1 98 98 SER H H 1 7.734 0.003 . 1 . . 216 . . 98 SER H . 26919 1 1047 . 1 1 98 98 SER C C 13 174.857 0.03 . 1 . . 474 . . 98 SER C . 26919 1 1048 . 1 1 98 98 SER CA C 13 55.633 0.03 . 1 . . 218 . . 98 SER CA . 26919 1 1049 . 1 1 98 98 SER CB C 13 65.666 0.03 . 1 . . 342 . . 98 SER CB . 26919 1 1050 . 1 1 98 98 SER N N 15 113.555 0.015 . 1 . . 217 . . 98 SER N . 26919 1 1051 . 1 1 99 99 ASN HA H 1 4.410 0.005 . 1 . . 748 . . 99 ASN HA . 26919 1 1052 . 1 1 99 99 ASN HB2 H 1 2.816 0.005 . 1 . . 747 . . 99 ASN HB2 . 26919 1 1053 . 1 1 99 99 ASN HB3 H 1 2.816 0.005 . 1 . . 972 . . 99 ASN HB3 . 26919 1 1054 . 1 1 99 99 ASN C C 13 175.382 0.03 . 1 . . 509 . . 99 ASN C . 26919 1 1055 . 1 1 99 99 ASN CA C 13 55.595 0.03 . 1 . . 404 . . 99 ASN CA . 26919 1 1056 . 1 1 99 99 ASN CB C 13 38.304 0.03 . 1 . . 405 . . 99 ASN CB . 26919 1 1057 . 1 1 100 100 ASP H H 1 7.447 0.002 . 1 . . 266 . . 100 ASP H . 26919 1 1058 . 1 1 100 100 ASP HA H 1 4.450 0.005 . 1 . . 644 . . 100 ASP HA . 26919 1 1059 . 1 1 100 100 ASP HB2 H 1 2.820 0.005 . 2 . . 645 . . 100 ASP HB2 . 26919 1 1060 . 1 1 100 100 ASP HB3 H 1 2.318 0.005 . 2 . . 646 . . 100 ASP HB3 . 26919 1 1061 . 1 1 100 100 ASP C C 13 176.684 0.021 . 1 . . 491 . . 100 ASP C . 26919 1 1062 . 1 1 100 100 ASP CA C 13 52.644 0.021 . 1 . . 268 . . 100 ASP CA . 26919 1 1063 . 1 1 100 100 ASP CB C 13 41.126 0.005 . 1 . . 354 . . 100 ASP CB . 26919 1 1064 . 1 1 100 100 ASP N N 15 117.983 0.029 . 1 . . 267 . . 100 ASP N . 26919 1 1065 . 1 1 101 101 ASP H H 1 7.191 0.002 . 1 . . 126 . . 101 ASP H . 26919 1 1066 . 1 1 101 101 ASP HA H 1 4.097 0.003 . 1 . . 740 . . 101 ASP HA . 26919 1 1067 . 1 1 101 101 ASP HB2 H 1 2.638 0.016 . 1 . . 884 . . 101 ASP HB2 . 26919 1 1068 . 1 1 101 101 ASP HB3 H 1 2.638 0.016 . 1 . . 973 . . 101 ASP HB3 . 26919 1 1069 . 1 1 101 101 ASP C C 13 177.102 0.016 . 1 . . 445 . . 101 ASP C . 26919 1 1070 . 1 1 101 101 ASP CA C 13 55.525 0.012 . 1 . . 128 . . 101 ASP CA . 26919 1 1071 . 1 1 101 101 ASP CB C 13 40.350 0.034 . 1 . . 317 . . 101 ASP CB . 26919 1 1072 . 1 1 101 101 ASP N N 15 120.072 0.048 . 1 . . 127 . . 101 ASP N . 26919 1 1073 . 1 1 102 102 ILE H H 1 7.940 0.01 . 1 . . 117 . . 102 ILE H . 26919 1 1074 . 1 1 102 102 ILE HA H 1 4.132 0.006 . 1 . . 744 . . 102 ILE HA . 26919 1 1075 . 1 1 102 102 ILE HB H 1 1.736 0.005 . 1 . . 745 . . 102 ILE HB . 26919 1 1076 . 1 1 102 102 ILE HG21 H 1 0.688 0.002 . 1 . . 746 . . 102 ILE HG21 . 26919 1 1077 . 1 1 102 102 ILE HG22 H 1 0.688 0.002 . 1 . . 746 . . 102 ILE HG22 . 26919 1 1078 . 1 1 102 102 ILE HG23 H 1 0.688 0.002 . 1 . . 746 . . 102 ILE HG23 . 26919 1 1079 . 1 1 102 102 ILE C C 13 174.430 0.018 . 1 . . 441 . . 102 ILE C . 26919 1 1080 . 1 1 102 102 ILE CA C 13 61.176 0.054 . 1 . . 119 . . 102 ILE CA . 26919 1 1081 . 1 1 102 102 ILE CB C 13 41.334 0.017 . 1 . . 314 . . 102 ILE CB . 26919 1 1082 . 1 1 102 102 ILE CG1 C 13 27.055 0.03 . 1 . . 552 . . 102 ILE CG1 . 26919 1 1083 . 1 1 102 102 ILE CG2 C 13 18.343 0.003 . 1 . . 553 . . 102 ILE CG2 . 26919 1 1084 . 1 1 102 102 ILE N N 15 119.525 0.134 . 1 . . 118 . . 102 ILE N . 26919 1 1085 . 1 1 103 103 GLY H H 1 7.722 0.013 . 1 . . 135 . . 103 GLY H . 26919 1 1086 . 1 1 103 103 GLY HA2 H 1 4.784 0.008 . 2 . . 809 . . 103 GLY HA2 . 26919 1 1087 . 1 1 103 103 GLY HA3 H 1 1.288 0.009 . 2 . . 808 . . 103 GLY HA3 . 26919 1 1088 . 1 1 103 103 GLY C C 13 174.156 0.03 . 1 . . 448 . . 103 GLY C . 26919 1 1089 . 1 1 103 103 GLY CA C 13 42.425 0.025 . 1 . . 137 . . 103 GLY CA . 26919 1 1090 . 1 1 103 103 GLY N N 15 111.823 0.058 . 1 . . 136 . . 103 GLY N . 26919 1 1091 . 1 1 104 104 ASN H H 1 9.403 0.006 . 1 . . 228 . . 104 ASN H . 26919 1 1092 . 1 1 104 104 ASN HA H 1 3.965 0.006 . 1 . . 804 . . 104 ASN HA . 26919 1 1093 . 1 1 104 104 ASN HB2 H 1 3.239 0.001 . 2 . . 806 . . 104 ASN HB2 . 26919 1 1094 . 1 1 104 104 ASN HB3 H 1 2.523 0.004 . 2 . . 805 . . 104 ASN HB3 . 26919 1 1095 . 1 1 104 104 ASN C C 13 174.921 0.03 . 1 . . 479 . . 104 ASN C . 26919 1 1096 . 1 1 104 104 ASN CA C 13 55.268 0.018 . 1 . . 230 . . 104 ASN CA . 26919 1 1097 . 1 1 104 104 ASN CB C 13 35.885 0.062 . 1 . . 344 . . 104 ASN CB . 26919 1 1098 . 1 1 104 104 ASN N N 15 120.304 0.072 . 1 . . 229 . . 104 ASN N . 26919 1 1099 . 1 1 105 105 TRP H H 1 7.251 0.014 . 1 . . 92 . . 105 TRP H . 26919 1 1100 . 1 1 105 105 TRP HA H 1 4.710 0.0 . 1 . . 620 . . 105 TRP HA . 26919 1 1101 . 1 1 105 105 TRP HB2 H 1 3.339 0.024 . 1 . . 621 . . 105 TRP HB2 . 26919 1 1102 . 1 1 105 105 TRP HB3 H 1 3.339 0.024 . 1 . . 974 . . 105 TRP HB3 . 26919 1 1103 . 1 1 105 105 TRP HD1 H 1 6.826 0.015 . 1 . . 1017 . . 105 TRP HD1 . 26919 1 1104 . 1 1 105 105 TRP HE1 H 1 10.015 0.005 . 1 . . 364 . . 105 TRP HE1 . 26919 1 1105 . 1 1 105 105 TRP HZ2 H 1 7.083 0.005 . 1 . . 1032 . . 105 TRP HZ2 . 26919 1 1106 . 1 1 105 105 TRP C C 13 176.040 0.03 . 1 . . 432 . . 105 TRP C . 26919 1 1107 . 1 1 105 105 TRP CA C 13 59.006 0.01 . 1 . . 94 . . 105 TRP CA . 26919 1 1108 . 1 1 105 105 TRP CB C 13 27.906 0.075 . 1 . . 307 . . 105 TRP CB . 26919 1 1109 . 1 1 105 105 TRP CD1 C 13 127.927 0.03 . 1 . . 1040 . . 105 TRP CD1 . 26919 1 1110 . 1 1 105 105 TRP CZ2 C 13 114.907 0.03 . 1 . . 1033 . . 105 TRP CZ2 . 26919 1 1111 . 1 1 105 105 TRP N N 15 117.182 0.096 . 1 . . 93 . . 105 TRP N . 26919 1 1112 . 1 1 105 105 TRP NE1 N 15 132.381 0.03 . 1 . . 365 . . 105 TRP NE1 . 26919 1 1113 . 1 1 106 106 THR H H 1 6.961 0.002 . 1 . . 211 . . 106 THR H . 26919 1 1114 . 1 1 106 106 THR HA H 1 4.216 0.002 . 1 . . 886 . . 106 THR HA . 26919 1 1115 . 1 1 106 106 THR HB H 1 4.191 0.0 . 1 . . 712 . . 106 THR HB . 26919 1 1116 . 1 1 106 106 THR C C 13 175.164 0.03 . 1 . . 471 . . 106 THR C . 26919 1 1117 . 1 1 106 106 THR CA C 13 62.184 0.031 . 1 . . 213 . . 106 THR CA . 26919 1 1118 . 1 1 106 106 THR CB C 13 69.505 0.038 . 1 . . 340 . . 106 THR CB . 26919 1 1119 . 1 1 106 106 THR N N 15 113.225 0.045 . 1 . . 212 . . 106 THR N . 26919 1 1120 . 1 1 107 107 ILE H H 1 7.269 0.016 . 1 . . 272 . . 107 ILE H . 26919 1 1121 . 1 1 107 107 ILE HA H 1 4.010 0.005 . 1 . . 698 . . 107 ILE HA . 26919 1 1122 . 1 1 107 107 ILE HB H 1 1.884 0.0 . 1 . . 885 . . 107 ILE HB . 26919 1 1123 . 1 1 107 107 ILE HG21 H 1 0.771 0.005 . 1 . . 699 . . 107 ILE HG21 . 26919 1 1124 . 1 1 107 107 ILE HG22 H 1 0.771 0.005 . 1 . . 699 . . 107 ILE HG22 . 26919 1 1125 . 1 1 107 107 ILE HG23 H 1 0.771 0.005 . 1 . . 699 . . 107 ILE HG23 . 26919 1 1126 . 1 1 107 107 ILE C C 13 176.558 0.018 . 1 . . 493 . . 107 ILE C . 26919 1 1127 . 1 1 107 107 ILE CA C 13 62.363 0.001 . 1 . . 274 . . 107 ILE CA . 26919 1 1128 . 1 1 107 107 ILE CB C 13 38.266 0.048 . 1 . . 355 . . 107 ILE CB . 26919 1 1129 . 1 1 107 107 ILE CG1 C 13 26.886 0.03 . 1 . . 585 . . 107 ILE CG1 . 26919 1 1130 . 1 1 107 107 ILE CG2 C 13 17.639 0.015 . 1 . . 537 . . 107 ILE CG2 . 26919 1 1131 . 1 1 107 107 ILE N N 15 119.628 0.029 . 1 . . 273 . . 107 ILE N . 26919 1 1132 . 1 1 108 108 GLY H H 1 8.345 0.012 . 1 . . 225 . . 108 GLY H . 26919 1 1133 . 1 1 108 108 GLY HA2 H 1 3.793 0.002 . 2 . . 770 . . 108 GLY HA2 . 26919 1 1134 . 1 1 108 108 GLY HA3 H 1 3.913 0.004 . 2 . . 769 . . 108 GLY HA3 . 26919 1 1135 . 1 1 108 108 GLY C C 13 174.023 0.03 . 1 . . 478 . . 108 GLY C . 26919 1 1136 . 1 1 108 108 GLY CA C 13 45.290 0.042 . 1 . . 227 . . 108 GLY CA . 26919 1 1137 . 1 1 108 108 GLY N N 15 111.301 0.026 . 1 . . 226 . . 108 GLY N . 26919 1 1138 . 1 1 109 109 PHE H H 1 8.001 0.009 . 1 . . 165 . . 109 PHE H . 26919 1 1139 . 1 1 109 109 PHE HB2 H 1 2.932 0.005 . 1 . . 985 . . 109 PHE HB2 . 26919 1 1140 . 1 1 109 109 PHE HB3 H 1 2.932 0.005 . 1 . . 997 . . 109 PHE HB3 . 26919 1 1141 . 1 1 109 109 PHE HD1 H 1 7.031 0.003 . 1 . . 1006 . . 109 PHE HD1 . 26919 1 1142 . 1 1 109 109 PHE HD2 H 1 7.031 0.003 . 1 . . 1006 . . 109 PHE HD2 . 26919 1 1143 . 1 1 109 109 PHE HE1 H 1 7.250 0.001 . 1 . . 1007 . . 109 PHE HE1 . 26919 1 1144 . 1 1 109 109 PHE HE2 H 1 7.250 0.001 . 1 . . 1007 . . 109 PHE HE2 . 26919 1 1145 . 1 1 109 109 PHE HZ H 1 7.183 0.002 . 1 . . 1008 . . 109 PHE HZ . 26919 1 1146 . 1 1 109 109 PHE C C 13 175.565 0.03 . 1 . . 458 . . 109 PHE C . 26919 1 1147 . 1 1 109 109 PHE CA C 13 58.261 0.03 . 1 . . 360 . . 109 PHE CA . 26919 1 1148 . 1 1 109 109 PHE CB C 13 39.461 0.069 . 1 . . 327 . . 109 PHE CB . 26919 1 1149 . 1 1 109 109 PHE CD1 C 13 132.653 0.03 . 1 . . 1038 . . 109 PHE CD1 . 26919 1 1150 . 1 1 109 109 PHE CD2 C 13 132.653 0.03 . 1 . . 1038 . . 109 PHE CD2 . 26919 1 1151 . 1 1 109 109 PHE CE1 C 13 131.594 0.03 . 1 . . 1028 . . 109 PHE CE1 . 26919 1 1152 . 1 1 109 109 PHE CE2 C 13 131.594 0.03 . 1 . . 1028 . . 109 PHE CE2 . 26919 1 1153 . 1 1 109 109 PHE CZ C 13 129.685 0.03 . 1 . . 1039 . . 109 PHE CZ . 26919 1 1154 . 1 1 109 109 PHE N N 15 120.139 0.062 . 1 . . 166 . . 109 PHE N . 26919 1 stop_ save_