data_30773 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30773 _Entry.Title ; Intrinsically disordered bacterial polar organizing protein Z, PopZ, interacts with protein binding partners through an N-terminal Molecular Recognition Feature ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-07-14 _Entry.Accession_date 2020-07-14 _Entry.Last_release_date 2020-07-18 _Entry.Original_release_date 2020-07-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 C. Nordyke C. T. . . 30773 2 Y. Ahmed Y. . . . 30773 3 R. Puterbaugh R. Z. . . 30773 4 G. Bowman G. R. . . 30773 5 K. Varga K. . . . 30773 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID MoRF . 30773 'Molecular Recognition Feature' . 30773 'PROTEIN BINDING' . 30773 'hub protein' . 30773 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30773 spectral_peak_list 2 30773 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 423 30773 '15N chemical shifts' 104 30773 '1H chemical shifts' 480 30773 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 . . 2021-09-28 2020-07-14 update BMRB 'update entry citation' 30773 1 . . 2020-10-30 2020-07-14 original author 'original release' 30773 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6XRY 'BMRB Entry Tracking System' 30773 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30773 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33058876 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Intrinsically Disordered Bacterial Polar Organizing Protein Z, PopZ, Interacts with Protein Binding Partners Through an N-terminal Molecular Recognition Feature ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 432 _Citation.Journal_issue 23 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 6092 _Citation.Page_last 6107 _Citation.Year 2020 _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 C. Nordyke C. T. . . 30773 1 2 Y. Ahmed Y. . . . 30773 1 3 R. Puterbaugh R. Z. . . 30773 1 4 G. Bowman G. R. . . 30773 1 5 K. Varga K. . . . 30773 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30773 _Assembly.ID 1 _Assembly.Name 'Polar organizing protein Z' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 30773 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30773 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MSDQSQEPTMEEILASIRRI ISEDDAPAEPAAEAAPPPPP EPEPEPVSFDDEVLELTDPI APEPELPPLETVGDIDVYSP PEPESEPAYTPPPAAPVFDR DEVAEQLVGVSAASAAASAF GSLSSALLMPKDGLEHHHHH H ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 141 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14988.290 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID PopZ common 30773 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 30773 1 2 . SER . 30773 1 3 . ASP . 30773 1 4 . GLN . 30773 1 5 . SER . 30773 1 6 . GLN . 30773 1 7 . GLU . 30773 1 8 . PRO . 30773 1 9 . THR . 30773 1 10 . MET . 30773 1 11 . GLU . 30773 1 12 . GLU . 30773 1 13 . ILE . 30773 1 14 . LEU . 30773 1 15 . ALA . 30773 1 16 . SER . 30773 1 17 . ILE . 30773 1 18 . ARG . 30773 1 19 . ARG . 30773 1 20 . ILE . 30773 1 21 . ILE . 30773 1 22 . SER . 30773 1 23 . GLU . 30773 1 24 . ASP . 30773 1 25 . ASP . 30773 1 26 . ALA . 30773 1 27 . PRO . 30773 1 28 . ALA . 30773 1 29 . GLU . 30773 1 30 . PRO . 30773 1 31 . ALA . 30773 1 32 . ALA . 30773 1 33 . GLU . 30773 1 34 . ALA . 30773 1 35 . ALA . 30773 1 36 . PRO . 30773 1 37 . PRO . 30773 1 38 . PRO . 30773 1 39 . PRO . 30773 1 40 . PRO . 30773 1 41 . GLU . 30773 1 42 . PRO . 30773 1 43 . GLU . 30773 1 44 . PRO . 30773 1 45 . GLU . 30773 1 46 . PRO . 30773 1 47 . VAL . 30773 1 48 . SER . 30773 1 49 . PHE . 30773 1 50 . ASP . 30773 1 51 . ASP . 30773 1 52 . GLU . 30773 1 53 . VAL . 30773 1 54 . LEU . 30773 1 55 . GLU . 30773 1 56 . LEU . 30773 1 57 . THR . 30773 1 58 . ASP . 30773 1 59 . PRO . 30773 1 60 . ILE . 30773 1 61 . ALA . 30773 1 62 . PRO . 30773 1 63 . GLU . 30773 1 64 . PRO . 30773 1 65 . GLU . 30773 1 66 . LEU . 30773 1 67 . PRO . 30773 1 68 . PRO . 30773 1 69 . LEU . 30773 1 70 . GLU . 30773 1 71 . THR . 30773 1 72 . VAL . 30773 1 73 . GLY . 30773 1 74 . ASP . 30773 1 75 . ILE . 30773 1 76 . ASP . 30773 1 77 . VAL . 30773 1 78 . TYR . 30773 1 79 . SER . 30773 1 80 . PRO . 30773 1 81 . PRO . 30773 1 82 . GLU . 30773 1 83 . PRO . 30773 1 84 . GLU . 30773 1 85 . SER . 30773 1 86 . GLU . 30773 1 87 . PRO . 30773 1 88 . ALA . 30773 1 89 . TYR . 30773 1 90 . THR . 30773 1 91 . PRO . 30773 1 92 . PRO . 30773 1 93 . PRO . 30773 1 94 . ALA . 30773 1 95 . ALA . 30773 1 96 . PRO . 30773 1 97 . VAL . 30773 1 98 . PHE . 30773 1 99 . ASP . 30773 1 100 . ARG . 30773 1 101 . ASP . 30773 1 102 . GLU . 30773 1 103 . VAL . 30773 1 104 . ALA . 30773 1 105 . GLU . 30773 1 106 . GLN . 30773 1 107 . LEU . 30773 1 108 . VAL . 30773 1 109 . GLY . 30773 1 110 . VAL . 30773 1 111 . SER . 30773 1 112 . ALA . 30773 1 113 . ALA . 30773 1 114 . SER . 30773 1 115 . ALA . 30773 1 116 . ALA . 30773 1 117 . ALA . 30773 1 118 . SER . 30773 1 119 . ALA . 30773 1 120 . PHE . 30773 1 121 . GLY . 30773 1 122 . SER . 30773 1 123 . LEU . 30773 1 124 . SER . 30773 1 125 . SER . 30773 1 126 . ALA . 30773 1 127 . LEU . 30773 1 128 . LEU . 30773 1 129 . MET . 30773 1 130 . PRO . 30773 1 131 . LYS . 30773 1 132 . ASP . 30773 1 133 . GLY . 30773 1 134 . LEU . 30773 1 135 . GLU . 30773 1 136 . HIS . 30773 1 137 . HIS . 30773 1 138 . HIS . 30773 1 139 . HIS . 30773 1 140 . HIS . 30773 1 141 . HIS . 30773 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 30773 1 . SER 2 2 30773 1 . ASP 3 3 30773 1 . GLN 4 4 30773 1 . SER 5 5 30773 1 . GLN 6 6 30773 1 . GLU 7 7 30773 1 . PRO 8 8 30773 1 . THR 9 9 30773 1 . MET 10 10 30773 1 . GLU 11 11 30773 1 . GLU 12 12 30773 1 . ILE 13 13 30773 1 . LEU 14 14 30773 1 . ALA 15 15 30773 1 . SER 16 16 30773 1 . ILE 17 17 30773 1 . ARG 18 18 30773 1 . ARG 19 19 30773 1 . ILE 20 20 30773 1 . ILE 21 21 30773 1 . SER 22 22 30773 1 . GLU 23 23 30773 1 . ASP 24 24 30773 1 . ASP 25 25 30773 1 . ALA 26 26 30773 1 . PRO 27 27 30773 1 . ALA 28 28 30773 1 . GLU 29 29 30773 1 . PRO 30 30 30773 1 . ALA 31 31 30773 1 . ALA 32 32 30773 1 . GLU 33 33 30773 1 . ALA 34 34 30773 1 . ALA 35 35 30773 1 . PRO 36 36 30773 1 . PRO 37 37 30773 1 . PRO 38 38 30773 1 . PRO 39 39 30773 1 . PRO 40 40 30773 1 . GLU 41 41 30773 1 . PRO 42 42 30773 1 . GLU 43 43 30773 1 . PRO 44 44 30773 1 . GLU 45 45 30773 1 . PRO 46 46 30773 1 . VAL 47 47 30773 1 . SER 48 48 30773 1 . PHE 49 49 30773 1 . ASP 50 50 30773 1 . ASP 51 51 30773 1 . GLU 52 52 30773 1 . VAL 53 53 30773 1 . LEU 54 54 30773 1 . GLU 55 55 30773 1 . LEU 56 56 30773 1 . THR 57 57 30773 1 . ASP 58 58 30773 1 . PRO 59 59 30773 1 . ILE 60 60 30773 1 . ALA 61 61 30773 1 . PRO 62 62 30773 1 . GLU 63 63 30773 1 . PRO 64 64 30773 1 . GLU 65 65 30773 1 . LEU 66 66 30773 1 . PRO 67 67 30773 1 . PRO 68 68 30773 1 . LEU 69 69 30773 1 . GLU 70 70 30773 1 . THR 71 71 30773 1 . VAL 72 72 30773 1 . GLY 73 73 30773 1 . ASP 74 74 30773 1 . ILE 75 75 30773 1 . ASP 76 76 30773 1 . VAL 77 77 30773 1 . TYR 78 78 30773 1 . SER 79 79 30773 1 . PRO 80 80 30773 1 . PRO 81 81 30773 1 . GLU 82 82 30773 1 . PRO 83 83 30773 1 . GLU 84 84 30773 1 . SER 85 85 30773 1 . GLU 86 86 30773 1 . PRO 87 87 30773 1 . ALA 88 88 30773 1 . TYR 89 89 30773 1 . THR 90 90 30773 1 . PRO 91 91 30773 1 . PRO 92 92 30773 1 . PRO 93 93 30773 1 . ALA 94 94 30773 1 . ALA 95 95 30773 1 . PRO 96 96 30773 1 . VAL 97 97 30773 1 . PHE 98 98 30773 1 . ASP 99 99 30773 1 . ARG 100 100 30773 1 . ASP 101 101 30773 1 . GLU 102 102 30773 1 . VAL 103 103 30773 1 . ALA 104 104 30773 1 . GLU 105 105 30773 1 . GLN 106 106 30773 1 . LEU 107 107 30773 1 . VAL 108 108 30773 1 . GLY 109 109 30773 1 . VAL 110 110 30773 1 . SER 111 111 30773 1 . ALA 112 112 30773 1 . ALA 113 113 30773 1 . SER 114 114 30773 1 . ALA 115 115 30773 1 . ALA 116 116 30773 1 . ALA 117 117 30773 1 . SER 118 118 30773 1 . ALA 119 119 30773 1 . PHE 120 120 30773 1 . GLY 121 121 30773 1 . SER 122 122 30773 1 . LEU 123 123 30773 1 . SER 124 124 30773 1 . SER 125 125 30773 1 . ALA 126 126 30773 1 . LEU 127 127 30773 1 . LEU 128 128 30773 1 . MET 129 129 30773 1 . PRO 130 130 30773 1 . LYS 131 131 30773 1 . ASP 132 132 30773 1 . GLY 133 133 30773 1 . LEU 134 134 30773 1 . GLU 135 135 30773 1 . HIS 136 136 30773 1 . HIS 137 137 30773 1 . HIS 138 138 30773 1 . HIS 139 139 30773 1 . HIS 140 140 30773 1 . HIS 141 141 30773 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 30773 _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 $entity_1 . 190650 organism . 'Caulobacter vibrioides (strain ATCC 19089 / CB15)' 'Caulobacter vibrioides' . . Bacteria . Caulobacter vibrioides 'ATCC 19089 / CB15' . . . . . . . . . . 'popZ, CC_1319' . 30773 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 30773 _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 $entity_1 . 'recombinant technology' "Escherichia coli 'BL21-Gold(DE3)pLysS AG'" . . 866768 . . . . . . . . . . . . 30773 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30773 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '913 uM [U-99% 13C; U-99% 15N] Polar organizing protein Z, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Polar organizing protein Z' '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $entity_1 . . 913 . . uM . . . . 30773 1 2 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 30773 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30773 _Sample.ID 2 _Sample.Name . _Sample.Type 'gel solid' _Sample.Sub_type . _Sample.Details '142 uM [U-99% 15N] Polar organizing protein Z, 5.4% acrylamide gel with 5.4 mm outer diameter (OD),95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Polar organizing protein Z' '[U-99% 15N]' 1 $assembly 1 $entity_1 . . 142 . . uM . . . . 30773 2 2 'acrylamide gel with 5.4 mm outer diameter' 'natural abundance' . . . . . . 5.4 . . % . . . . 30773 2 3 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 30773 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30773 _Sample.ID 3 _Sample.Name . _Sample.Type 'gel solid' _Sample.Sub_type . _Sample.Details '142 uM [U-99% 15N] Polar organizing protein Z, 5.4% acrylamide gel with 6.0 mm outer diameter, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Polar organizing protein Z' '[U-99% 15N]' 1 $assembly 1 $entity_1 . . 142 . . uM . . . . 30773 3 2 'acrylamide gel with 6.0 mm outer diameter' 'natural abundance' . . . . . . 5.4 . . % . . . . 30773 3 3 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 30773 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30773 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '142 uM [U-99% 15N] Polar organizing protein Z, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Polar organizing protein Z' '[U-99% 15N]' 1 $assembly 1 $entity_1 . . 142 . . uM . . . . 30773 4 2 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 30773 4 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 30773 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 20 . mM 30773 1 pH 5.5 . pH 30773 1 pressure 1.0 . atm 30773 1 temperature 298 . K 30773 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30773 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _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' 20 . mM 30773 2 pH 5.5 . pH 30773 2 pressure 1 . atm 30773 2 temperature 298 . K 30773 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 30773 _Sample_condition_list.ID 3 _Sample_condition_list.Name . _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' 20 . mM 30773 3 pH 5.5 . pH 30773 3 pressure 1 . atm 30773 3 temperature 298 . K 30773 3 stop_ save_ save_sample_conditions_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_4 _Sample_condition_list.Entry_ID 30773 _Sample_condition_list.ID 4 _Sample_condition_list.Name . _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' 20 . mM 30773 4 pH 5.5 . pH 30773 4 pressure 1 . atm 30773 4 temperature 298 . K 30773 4 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30773 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30773 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30773 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30773 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30773 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30773 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30773 _Software.ID 3 _Software.Type . _Software.Name I-PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Bahrami, Dashti, Eghbalnia, Tonelli, Westler and Markley' . . 30773 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30773 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30773 _Software.ID 4 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.41 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Tonelli, and Markley' . . 30773 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30773 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30773 _Software.ID 5 _Software.Type . _Software.Name PONDEROSA-C/S _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Stark, and Markley' . . 30773 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 30773 5 refinement . 30773 5 'structure calculation' . 30773 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30773 _Software.ID 6 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Tonelli, and Markley' . . 30773 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 30773 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30773 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30773 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 30773 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE III' . 800 . . . 30773 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 700 . . . 30773 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30773 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30773 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30773 1 3 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30773 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30773 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30773 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30773 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30773 1 8 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30773 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30773 1 10 '3D HBHANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30773 1 11 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30773 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30773 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30773 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30773 1 15 '2D 1H-15N HSQC' no . . . . . . . . . . . . 3 $sample_3 anisotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30773 1 16 '2D 1H-15N HSQC' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30773 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30773 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.000 internal indirect 0.251449530 . . . . . 30773 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30773 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30773 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30773 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30773 1 2 '3D HNCO' . . . 30773 1 3 '3D HN(CA)CO' . . . 30773 1 4 '3D HNCA' . . . 30773 1 5 '3D HN(CO)CA' . . . 30773 1 6 '3D HNCACB' . . . 30773 1 7 '3D CBCA(CO)NH' . . . 30773 1 8 '3D C(CO)NH' . . . 30773 1 9 '3D HBHA(CO)NH' . . . 30773 1 10 '3D HBHANH' . . . 30773 1 11 '3D H(CCO)NH' . . . 30773 1 12 '3D 1H-15N NOESY' . . . 30773 1 13 '3D 1H-13C NOESY aliphatic' . . . 30773 1 14 '2D 1H-15N HSQC' . . . 30773 1 15 '2D 1H-15N HSQC' . . . 30773 1 16 '2D 1H-15N HSQC' . . . 30773 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 1 1 MET HB2 H 1 2.077 0.00 . 2 . . . . A 1 MET HB2 . 30773 1 2 . 1 . 1 1 1 MET C C 13 177.477 0.00 . 1 . . . . A 1 MET C . 30773 1 3 . 1 . 1 1 1 MET CA C 13 54.661 0.02 . 1 . . . . A 1 MET CA . 30773 1 4 . 1 . 1 2 2 SER H H 1 8.371 0.00 . 1 . . . . A 2 SER H . 30773 1 5 . 1 . 1 2 2 SER HA H 1 4.433 0.01 . 1 . . . . A 2 SER HA . 30773 1 6 . 1 . 1 2 2 SER HB2 H 1 3.863 0.00 . 2 . . . . A 2 SER HB2 . 30773 1 7 . 1 . 1 2 2 SER C C 13 174.790 0.00 . 1 . . . . A 2 SER C . 30773 1 8 . 1 . 1 2 2 SER CA C 13 58.602 0.07 . 1 . . . . A 2 SER CA . 30773 1 9 . 1 . 1 2 2 SER CB C 13 63.962 0.02 . 1 . . . . A 2 SER CB . 30773 1 10 . 1 . 1 2 2 SER N N 15 121.590 0.02 . 1 . . . . A 2 SER N . 30773 1 11 . 1 . 1 3 3 ASP H H 1 8.519 0.00 . 1 . . . . A 3 ASP H . 30773 1 12 . 1 . 1 3 3 ASP HA H 1 4.609 0.01 . 1 . . . . A 3 ASP HA . 30773 1 13 . 1 . 1 3 3 ASP HB2 H 1 2.707 0.01 . 2 . . . . A 3 ASP HB2 . 30773 1 14 . 1 . 1 3 3 ASP C C 13 176.434 0.02 . 1 . . . . A 3 ASP C . 30773 1 15 . 1 . 1 3 3 ASP CA C 13 54.326 0.03 . 1 . . . . A 3 ASP CA . 30773 1 16 . 1 . 1 3 3 ASP CB C 13 40.930 0.11 . 1 . . . . A 3 ASP CB . 30773 1 17 . 1 . 1 3 3 ASP N N 15 121.835 0.03 . 1 . . . . A 3 ASP N . 30773 1 18 . 1 . 1 4 4 GLN H H 1 8.312 0.00 . 1 . . . . A 4 GLN H . 30773 1 19 . 1 . 1 4 4 GLN HA H 1 4.366 0.01 . 1 . . . . A 4 GLN HA . 30773 1 20 . 1 . 1 4 4 GLN HB2 H 1 1.971 0.00 . 1 . . . . A 4 GLN HB2 . 30773 1 21 . 1 . 1 4 4 GLN HB3 H 1 2.178 0.00 . 1 . . . . A 4 GLN HB3 . 30773 1 22 . 1 . 1 4 4 GLN HG2 H 1 2.361 0.00 . 2 . . . . A 4 GLN HG2 . 30773 1 23 . 1 . 1 4 4 GLN C C 13 176.206 0.02 . 1 . . . . A 4 GLN C . 30773 1 24 . 1 . 1 4 4 GLN CA C 13 55.948 0.06 . 1 . . . . A 4 GLN CA . 30773 1 25 . 1 . 1 4 4 GLN CB C 13 29.491 0.22 . 1 . . . . A 4 GLN CB . 30773 1 26 . 1 . 1 4 4 GLN CG C 13 33.985 0.00 . 1 . . . . A 4 GLN CG . 30773 1 27 . 1 . 1 4 4 GLN N N 15 120.491 0.05 . 1 . . . . A 4 GLN N . 30773 1 28 . 1 . 1 5 5 SER H H 1 8.377 0.00 . 1 . . . . A 5 SER H . 30773 1 29 . 1 . 1 5 5 SER HA H 1 4.396 0.01 . 1 . . . . A 5 SER HA . 30773 1 30 . 1 . 1 5 5 SER HB2 H 1 3.880 0.01 . 2 . . . . A 5 SER HB2 . 30773 1 31 . 1 . 1 5 5 SER C C 13 174.511 0.01 . 1 . . . . A 5 SER C . 30773 1 32 . 1 . 1 5 5 SER CA C 13 58.833 0.03 . 1 . . . . A 5 SER CA . 30773 1 33 . 1 . 1 5 5 SER CB C 13 63.770 0.03 . 1 . . . . A 5 SER CB . 30773 1 34 . 1 . 1 5 5 SER N N 15 116.952 0.02 . 1 . . . . A 5 SER N . 30773 1 35 . 1 . 1 6 6 GLN H H 1 8.362 0.00 . 1 . . . . A 6 GLN H . 30773 1 36 . 1 . 1 6 6 GLN HA H 1 4.400 0.01 . 1 . . . . A 6 GLN HA . 30773 1 37 . 1 . 1 6 6 GLN HB2 H 1 1.953 0.01 . 1 . . . . A 6 GLN HB2 . 30773 1 38 . 1 . 1 6 6 GLN HB3 H 1 2.141 0.00 . 1 . . . . A 6 GLN HB3 . 30773 1 39 . 1 . 1 6 6 GLN C C 13 175.656 0.01 . 1 . . . . A 6 GLN C . 30773 1 40 . 1 . 1 6 6 GLN CA C 13 55.520 0.04 . 1 . . . . A 6 GLN CA . 30773 1 41 . 1 . 1 6 6 GLN CB C 13 29.745 0.24 . 1 . . . . A 6 GLN CB . 30773 1 42 . 1 . 1 6 6 GLN CG C 13 33.894 0.00 . 1 . . . . A 6 GLN CG . 30773 1 43 . 1 . 1 6 6 GLN N N 15 121.921 0.06 . 1 . . . . A 6 GLN N . 30773 1 44 . 1 . 1 7 7 GLU H H 1 8.342 0.00 . 1 . . . . A 7 GLU H . 30773 1 45 . 1 . 1 7 7 GLU HA H 1 4.588 0.00 . 1 . . . . A 7 GLU HA . 30773 1 46 . 1 . 1 7 7 GLU HB2 H 1 1.897 0.01 . 1 . . . . A 7 GLU HB2 . 30773 1 47 . 1 . 1 7 7 GLU HB3 H 1 2.053 0.01 . 1 . . . . A 7 GLU HB3 . 30773 1 48 . 1 . 1 7 7 GLU C C 13 174.487 0.00 . 1 . . . . A 7 GLU C . 30773 1 49 . 1 . 1 7 7 GLU CA C 13 54.462 0.00 . 1 . . . . A 7 GLU CA . 30773 1 50 . 1 . 1 7 7 GLU CB C 13 29.551 0.00 . 1 . . . . A 7 GLU CB . 30773 1 51 . 1 . 1 7 7 GLU N N 15 123.383 0.04 . 1 . . . . A 7 GLU N . 30773 1 52 . 1 . 1 8 8 PRO HA H 1 4.572 0.01 . 1 . . . . A 8 PRO HA . 30773 1 53 . 1 . 1 8 8 PRO HB2 H 1 1.908 0.00 . 1 . . . . A 8 PRO HB2 . 30773 1 54 . 1 . 1 8 8 PRO HB3 H 1 2.289 0.00 . 1 . . . . A 8 PRO HB3 . 30773 1 55 . 1 . 1 8 8 PRO HG2 H 1 1.993 0.00 . 2 . . . . A 8 PRO HG2 . 30773 1 56 . 1 . 1 8 8 PRO HD2 H 1 3.851 0.00 . 2 . . . . A 8 PRO HD2 . 30773 1 57 . 1 . 1 8 8 PRO C C 13 177.132 0.01 . 1 . . . . A 8 PRO C . 30773 1 58 . 1 . 1 8 8 PRO CA C 13 63.008 0.09 . 1 . . . . A 8 PRO CA . 30773 1 59 . 1 . 1 8 8 PRO CB C 13 32.232 0.02 . 1 . . . . A 8 PRO CB . 30773 1 60 . 1 . 1 8 8 PRO CG C 13 27.469 0.00 . 1 . . . . A 8 PRO CG . 30773 1 61 . 1 . 1 8 8 PRO CD C 13 50.762 0.00 . 1 . . . . A 8 PRO CD . 30773 1 62 . 1 . 1 9 9 THR H H 1 8.364 0.00 . 1 . . . . A 9 THR H . 30773 1 63 . 1 . 1 9 9 THR HA H 1 4.373 0.00 . 1 . . . . A 9 THR HA . 30773 1 64 . 1 . 1 9 9 THR HB H 1 4.497 0.01 . 1 . . . . A 9 THR HB . 30773 1 65 . 1 . 1 9 9 THR HG21 H 1 1.313 0.00 . 1 . . . . A 9 THR HG21 . 30773 1 66 . 1 . 1 9 9 THR HG22 H 1 1.313 0.00 . 1 . . . . A 9 THR HG22 . 30773 1 67 . 1 . 1 9 9 THR HG23 H 1 1.313 0.00 . 1 . . . . A 9 THR HG23 . 30773 1 68 . 1 . 1 9 9 THR C C 13 175.242 0.01 . 1 . . . . A 9 THR C . 30773 1 69 . 1 . 1 9 9 THR CA C 13 61.339 0.04 . 1 . . . . A 9 THR CA . 30773 1 70 . 1 . 1 9 9 THR CB C 13 70.623 0.04 . 1 . . . . A 9 THR CB . 30773 1 71 . 1 . 1 9 9 THR CG2 C 13 22.062 0.00 . 1 . . . . A 9 THR CG2 . 30773 1 72 . 1 . 1 9 9 THR N N 15 113.502 0.03 . 1 . . . . A 9 THR N . 30773 1 73 . 1 . 1 10 10 MET H H 1 8.682 0.00 . 1 . . . . A 10 MET H . 30773 1 74 . 1 . 1 10 10 MET HA H 1 4.370 0.00 . 1 . . . . A 10 MET HA . 30773 1 75 . 1 . 1 10 10 MET HB2 H 1 2.097 0.00 . 2 . . . . A 10 MET HB2 . 30773 1 76 . 1 . 1 10 10 MET HG2 H 1 2.613 0.00 . 2 . . . . A 10 MET HG2 . 30773 1 77 . 1 . 1 10 10 MET C C 13 177.450 0.01 . 1 . . . . A 10 MET C . 30773 1 78 . 1 . 1 10 10 MET CA C 13 57.147 0.04 . 1 . . . . A 10 MET CA . 30773 1 79 . 1 . 1 10 10 MET CB C 13 32.025 0.05 . 1 . . . . A 10 MET CB . 30773 1 80 . 1 . 1 10 10 MET N N 15 121.384 0.02 . 1 . . . . A 10 MET N . 30773 1 81 . 1 . 1 11 11 GLU H H 1 8.565 0.00 . 1 . . . . A 11 GLU H . 30773 1 82 . 1 . 1 11 11 GLU HA H 1 4.056 0.01 . 1 . . . . A 11 GLU HA . 30773 1 83 . 1 . 1 11 11 GLU HB2 H 1 1.997 0.00 . 2 . . . . A 11 GLU HB2 . 30773 1 84 . 1 . 1 11 11 GLU HG2 H 1 2.328 0.00 . 2 . . . . A 11 GLU HG2 . 30773 1 85 . 1 . 1 11 11 GLU C C 13 178.275 0.02 . 1 . . . . A 11 GLU C . 30773 1 86 . 1 . 1 11 11 GLU CA C 13 59.005 0.05 . 1 . . . . A 11 GLU CA . 30773 1 87 . 1 . 1 11 11 GLU CB C 13 29.540 0.12 . 1 . . . . A 11 GLU CB . 30773 1 88 . 1 . 1 11 11 GLU CG C 13 36.567 0.00 . 1 . . . . A 11 GLU CG . 30773 1 89 . 1 . 1 11 11 GLU N N 15 119.487 0.02 . 1 . . . . A 11 GLU N . 30773 1 90 . 1 . 1 12 12 GLU H H 1 8.028 0.00 . 1 . . . . A 12 GLU H . 30773 1 91 . 1 . 1 12 12 GLU HA H 1 4.126 0.01 . 1 . . . . A 12 GLU HA . 30773 1 92 . 1 . 1 12 12 GLU HB2 H 1 2.012 0.02 . 1 . . . . A 12 GLU HB2 . 30773 1 93 . 1 . 1 12 12 GLU HB3 H 1 2.183 0.00 . 1 . . . . A 12 GLU HB3 . 30773 1 94 . 1 . 1 12 12 GLU HG2 H 1 2.257 0.00 . 2 . . . . A 12 GLU HG2 . 30773 1 95 . 1 . 1 12 12 GLU C C 13 178.485 0.01 . 1 . . . . A 12 GLU C . 30773 1 96 . 1 . 1 12 12 GLU CA C 13 58.234 0.08 . 1 . . . . A 12 GLU CA . 30773 1 97 . 1 . 1 12 12 GLU CB C 13 29.829 0.11 . 1 . . . . A 12 GLU CB . 30773 1 98 . 1 . 1 12 12 GLU CG C 13 36.711 0.00 . 1 . . . . A 12 GLU CG . 30773 1 99 . 1 . 1 12 12 GLU N N 15 121.137 0.03 . 1 . . . . A 12 GLU N . 30773 1 100 . 1 . 1 13 13 ILE H H 1 8.229 0.00 . 1 . . . . A 13 ILE H . 30773 1 101 . 1 . 1 13 13 ILE HA H 1 3.885 0.00 . 1 . . . . A 13 ILE HA . 30773 1 102 . 1 . 1 13 13 ILE C C 13 178.357 0.02 . 1 . . . . A 13 ILE C . 30773 1 103 . 1 . 1 13 13 ILE CA C 13 63.565 0.09 . 1 . . . . A 13 ILE CA . 30773 1 104 . 1 . 1 13 13 ILE CB C 13 38.017 0.05 . 1 . . . . A 13 ILE CB . 30773 1 105 . 1 . 1 13 13 ILE CG1 C 13 28.349 0.00 . 1 . . . . A 13 ILE CG1 . 30773 1 106 . 1 . 1 13 13 ILE CG2 C 13 17.304 0.00 . 1 . . . . A 13 ILE CG2 . 30773 1 107 . 1 . 1 13 13 ILE N N 15 122.453 0.02 . 1 . . . . A 13 ILE N . 30773 1 108 . 1 . 1 14 14 LEU H H 1 8.336 0.00 . 1 . . . . A 14 LEU H . 30773 1 109 . 1 . 1 14 14 LEU HA H 1 4.157 0.01 . 1 . . . . A 14 LEU HA . 30773 1 110 . 1 . 1 14 14 LEU HB2 H 1 1.549 0.01 . 1 . . . . A 14 LEU HB2 . 30773 1 111 . 1 . 1 14 14 LEU HB3 H 1 1.750 0.01 . 1 . . . . A 14 LEU HB3 . 30773 1 112 . 1 . 1 14 14 LEU HD11 H 1 0.887 0.00 . 2 . . . . A 14 LEU HD11 . 30773 1 113 . 1 . 1 14 14 LEU HD12 H 1 0.887 0.00 . 2 . . . . A 14 LEU HD12 . 30773 1 114 . 1 . 1 14 14 LEU HD13 H 1 0.887 0.00 . 2 . . . . A 14 LEU HD13 . 30773 1 115 . 1 . 1 14 14 LEU C C 13 178.532 0.01 . 1 . . . . A 14 LEU C . 30773 1 116 . 1 . 1 14 14 LEU CA C 13 56.836 0.07 . 1 . . . . A 14 LEU CA . 30773 1 117 . 1 . 1 14 14 LEU CB C 13 41.807 0.04 . 1 . . . . A 14 LEU CB . 30773 1 118 . 1 . 1 14 14 LEU CG C 13 27.001 0.00 . 1 . . . . A 14 LEU CG . 30773 1 119 . 1 . 1 14 14 LEU CD1 C 13 25.149 0.00 . 1 . . . . A 14 LEU CD1 . 30773 1 120 . 1 . 1 14 14 LEU CD2 C 13 23.154 0.00 . 1 . . . . A 14 LEU CD2 . 30773 1 121 . 1 . 1 14 14 LEU N N 15 122.289 0.04 . 1 . . . . A 14 LEU N . 30773 1 122 . 1 . 1 15 15 ALA H H 1 7.987 0.00 . 1 . . . . A 15 ALA H . 30773 1 123 . 1 . 1 15 15 ALA HA H 1 4.196 0.01 . 1 . . . . A 15 ALA HA . 30773 1 124 . 1 . 1 15 15 ALA HB1 H 1 1.461 0.00 . 1 . . . . A 15 ALA HB1 . 30773 1 125 . 1 . 1 15 15 ALA HB2 H 1 1.461 0.00 . 1 . . . . A 15 ALA HB2 . 30773 1 126 . 1 . 1 15 15 ALA HB3 H 1 1.461 0.00 . 1 . . . . A 15 ALA HB3 . 30773 1 127 . 1 . 1 15 15 ALA C C 13 178.997 0.01 . 1 . . . . A 15 ALA C . 30773 1 128 . 1 . 1 15 15 ALA CA C 13 53.887 0.03 . 1 . . . . A 15 ALA CA . 30773 1 129 . 1 . 1 15 15 ALA CB C 13 18.636 0.05 . 1 . . . . A 15 ALA CB . 30773 1 130 . 1 . 1 15 15 ALA N N 15 121.828 0.04 . 1 . . . . A 15 ALA N . 30773 1 131 . 1 . 1 16 16 SER H H 1 7.954 0.00 . 1 . . . . A 16 SER H . 30773 1 132 . 1 . 1 16 16 SER HA H 1 4.341 0.01 . 1 . . . . A 16 SER HA . 30773 1 133 . 1 . 1 16 16 SER HB2 H 1 3.969 0.00 . 2 . . . . A 16 SER HB2 . 30773 1 134 . 1 . 1 16 16 SER C C 13 175.321 0.00 . 1 . . . . A 16 SER C . 30773 1 135 . 1 . 1 16 16 SER CA C 13 59.822 0.04 . 1 . . . . A 16 SER CA . 30773 1 136 . 1 . 1 16 16 SER CB C 13 63.547 0.03 . 1 . . . . A 16 SER CB . 30773 1 137 . 1 . 1 16 16 SER N N 15 113.811 0.03 . 1 . . . . A 16 SER N . 30773 1 138 . 1 . 1 17 17 ILE H H 1 7.800 0.00 . 1 . . . . A 17 ILE H . 30773 1 139 . 1 . 1 17 17 ILE HA H 1 4.095 0.01 . 1 . . . . A 17 ILE HA . 30773 1 140 . 1 . 1 17 17 ILE HB H 1 1.931 0.00 . 1 . . . . A 17 ILE HB . 30773 1 141 . 1 . 1 17 17 ILE C C 13 176.697 0.01 . 1 . . . . A 17 ILE C . 30773 1 142 . 1 . 1 17 17 ILE CA C 13 62.451 0.10 . 1 . . . . A 17 ILE CA . 30773 1 143 . 1 . 1 17 17 ILE CB C 13 38.444 0.04 . 1 . . . . A 17 ILE CB . 30773 1 144 . 1 . 1 17 17 ILE N N 15 121.584 0.02 . 1 . . . . A 17 ILE N . 30773 1 145 . 1 . 1 18 18 ARG H H 1 8.098 0.00 . 1 . . . . A 18 ARG H . 30773 1 146 . 1 . 1 18 18 ARG HA H 1 4.273 0.00 . 1 . . . . A 18 ARG HA . 30773 1 147 . 1 . 1 18 18 ARG HB2 H 1 1.427 0.00 . 2 . . . . A 18 ARG HB2 . 30773 1 148 . 1 . 1 18 18 ARG C C 13 176.414 0.00 . 1 . . . . A 18 ARG C . 30773 1 149 . 1 . 1 18 18 ARG CA C 13 56.730 0.03 . 1 . . . . A 18 ARG CA . 30773 1 150 . 1 . 1 18 18 ARG N N 15 122.737 0.06 . 1 . . . . A 18 ARG N . 30773 1 151 . 1 . 1 19 19 ARG H H 1 8.101 0.00 . 1 . . . . A 19 ARG H . 30773 1 152 . 1 . 1 19 19 ARG CA C 13 56.633 0.00 . 1 . . . . A 19 ARG CA . 30773 1 153 . 1 . 1 19 19 ARG N N 15 121.734 0.02 . 1 . . . . A 19 ARG N . 30773 1 154 . 1 . 1 20 20 ILE CA C 13 60.468 0.08 . 1 . . . . A 20 ILE CA . 30773 1 155 . 1 . 1 20 20 ILE CB C 13 39.200 0.00 . 1 . . . . A 20 ILE CB . 30773 1 156 . 1 . 1 21 21 ILE H H 1 8.553 0.00 . 1 . . . . A 21 ILE H . 30773 1 157 . 1 . 1 21 21 ILE HA H 1 4.181 0.00 . 1 . . . . A 21 ILE HA . 30773 1 158 . 1 . 1 21 21 ILE HB H 1 1.892 0.00 . 1 . . . . A 21 ILE HB . 30773 1 159 . 1 . 1 21 21 ILE C C 13 176.245 0.01 . 1 . . . . A 21 ILE C . 30773 1 160 . 1 . 1 21 21 ILE CA C 13 61.282 0.01 . 1 . . . . A 21 ILE CA . 30773 1 161 . 1 . 1 21 21 ILE CB C 13 38.598 0.06 . 1 . . . . A 21 ILE CB . 30773 1 162 . 1 . 1 21 21 ILE N N 15 125.373 0.01 . 1 . . . . A 21 ILE N . 30773 1 163 . 1 . 1 22 22 SER H H 1 8.353 0.00 . 1 . . . . A 22 SER H . 30773 1 164 . 1 . 1 22 22 SER HA H 1 4.485 0.00 . 1 . . . . A 22 SER HA . 30773 1 165 . 1 . 1 22 22 SER HB2 H 1 3.870 0.01 . 2 . . . . A 22 SER HB2 . 30773 1 166 . 1 . 1 22 22 SER C C 13 174.712 0.02 . 1 . . . . A 22 SER C . 30773 1 167 . 1 . 1 22 22 SER CA C 13 58.216 0.10 . 1 . . . . A 22 SER CA . 30773 1 168 . 1 . 1 22 22 SER CB C 13 64.026 0.03 . 1 . . . . A 22 SER CB . 30773 1 169 . 1 . 1 22 22 SER N N 15 119.701 0.04 . 1 . . . . A 22 SER N . 30773 1 170 . 1 . 1 23 23 GLU H H 1 8.521 0.00 . 1 . . . . A 23 GLU H . 30773 1 171 . 1 . 1 23 23 GLU HA H 1 4.295 0.00 . 1 . . . . A 23 GLU HA . 30773 1 172 . 1 . 1 23 23 GLU HB2 H 1 1.946 0.00 . 1 . . . . A 23 GLU HB2 . 30773 1 173 . 1 . 1 23 23 GLU HB3 H 1 2.096 0.00 . 1 . . . . A 23 GLU HB3 . 30773 1 174 . 1 . 1 23 23 GLU HG2 H 1 2.297 0.00 . 2 . . . . A 23 GLU HG2 . 30773 1 175 . 1 . 1 23 23 GLU C C 13 176.284 0.00 . 1 . . . . A 23 GLU C . 30773 1 176 . 1 . 1 23 23 GLU CA C 13 56.918 0.03 . 1 . . . . A 23 GLU CA . 30773 1 177 . 1 . 1 23 23 GLU CB C 13 30.008 0.09 . 1 . . . . A 23 GLU CB . 30773 1 178 . 1 . 1 23 23 GLU CG C 13 35.867 0.00 . 1 . . . . A 23 GLU CG . 30773 1 179 . 1 . 1 23 23 GLU N N 15 123.114 0.03 . 1 . . . . A 23 GLU N . 30773 1 180 . 1 . 1 24 24 ASP H H 1 8.274 0.00 . 1 . . . . A 24 ASP H . 30773 1 181 . 1 . 1 24 24 ASP HA H 1 4.582 0.01 . 1 . . . . A 24 ASP HA . 30773 1 182 . 1 . 1 24 24 ASP HB2 H 1 2.578 0.00 . 1 . . . . A 24 ASP HB2 . 30773 1 183 . 1 . 1 24 24 ASP HB3 H 1 2.715 0.00 . 1 . . . . A 24 ASP HB3 . 30773 1 184 . 1 . 1 24 24 ASP C C 13 175.894 0.03 . 1 . . . . A 24 ASP C . 30773 1 185 . 1 . 1 24 24 ASP CA C 13 54.536 0.02 . 1 . . . . A 24 ASP CA . 30773 1 186 . 1 . 1 24 24 ASP CB C 13 41.087 0.05 . 1 . . . . A 24 ASP CB . 30773 1 187 . 1 . 1 24 24 ASP N N 15 120.476 0.02 . 1 . . . . A 24 ASP N . 30773 1 188 . 1 . 1 25 25 ASP H H 1 8.152 0.00 . 1 . . . . A 25 ASP H . 30773 1 189 . 1 . 1 25 25 ASP HA H 1 4.583 0.01 . 1 . . . . A 25 ASP HA . 30773 1 190 . 1 . 1 25 25 ASP HB2 H 1 2.651 0.00 . 2 . . . . A 25 ASP HB2 . 30773 1 191 . 1 . 1 25 25 ASP C C 13 175.516 0.00 . 1 . . . . A 25 ASP C . 30773 1 192 . 1 . 1 25 25 ASP CA C 13 54.114 0.05 . 1 . . . . A 25 ASP CA . 30773 1 193 . 1 . 1 25 25 ASP CB C 13 41.060 0.05 . 1 . . . . A 25 ASP CB . 30773 1 194 . 1 . 1 25 25 ASP N N 15 120.461 0.03 . 1 . . . . A 25 ASP N . 30773 1 195 . 1 . 1 26 26 ALA H H 1 8.085 0.00 . 1 . . . . A 26 ALA H . 30773 1 196 . 1 . 1 26 26 ALA HB1 H 1 1.347 0.00 . 1 . . . . A 26 ALA HB1 . 30773 1 197 . 1 . 1 26 26 ALA HB2 H 1 1.347 0.00 . 1 . . . . A 26 ALA HB2 . 30773 1 198 . 1 . 1 26 26 ALA HB3 H 1 1.347 0.00 . 1 . . . . A 26 ALA HB3 . 30773 1 199 . 1 . 1 26 26 ALA C C 13 175.348 0.00 . 1 . . . . A 26 ALA C . 30773 1 200 . 1 . 1 26 26 ALA CA C 13 50.577 0.01 . 1 . . . . A 26 ALA CA . 30773 1 201 . 1 . 1 26 26 ALA CB C 13 18.270 0.00 . 1 . . . . A 26 ALA CB . 30773 1 202 . 1 . 1 26 26 ALA N N 15 125.200 0.03 . 1 . . . . A 26 ALA N . 30773 1 203 . 1 . 1 28 28 ALA H H 1 8.518 0.00 . 1 . . . . A 28 ALA H . 30773 1 204 . 1 . 1 28 28 ALA C C 13 177.635 0.02 . 1 . . . . A 28 ALA C . 30773 1 205 . 1 . 1 28 28 ALA CA C 13 52.234 0.04 . 1 . . . . A 28 ALA CA . 30773 1 206 . 1 . 1 28 28 ALA CB C 13 19.412 0.03 . 1 . . . . A 28 ALA CB . 30773 1 207 . 1 . 1 28 28 ALA N N 15 125.163 0.01 . 1 . . . . A 28 ALA N . 30773 1 208 . 1 . 1 29 29 GLU H H 1 8.331 0.00 . 1 . . . . A 29 GLU H . 30773 1 209 . 1 . 1 29 29 GLU C C 13 174.462 0.00 . 1 . . . . A 29 GLU C . 30773 1 210 . 1 . 1 29 29 GLU CA C 13 54.108 0.02 . 1 . . . . A 29 GLU CA . 30773 1 211 . 1 . 1 29 29 GLU CB C 13 29.646 0.00 . 1 . . . . A 29 GLU CB . 30773 1 212 . 1 . 1 29 29 GLU N N 15 121.412 0.02 . 1 . . . . A 29 GLU N . 30773 1 213 . 1 . 1 30 30 PRO HA H 1 4.384 0.00 . 1 . . . . A 30 PRO HA . 30773 1 214 . 1 . 1 30 30 PRO HB2 H 1 1.900 0.00 . 1 . . . . A 30 PRO HB2 . 30773 1 215 . 1 . 1 30 30 PRO HB3 H 1 2.279 0.00 . 1 . . . . A 30 PRO HB3 . 30773 1 216 . 1 . 1 30 30 PRO HG2 H 1 1.994 0.00 . 2 . . . . A 30 PRO HG2 . 30773 1 217 . 1 . 1 30 30 PRO HD2 H 1 3.755 0.00 . 2 . . . . A 30 PRO HD2 . 30773 1 218 . 1 . 1 30 30 PRO C C 13 176.685 0.00 . 1 . . . . A 30 PRO C . 30773 1 219 . 1 . 1 30 30 PRO CA C 13 62.981 0.06 . 1 . . . . A 30 PRO CA . 30773 1 220 . 1 . 1 30 30 PRO CB C 13 32.118 0.03 . 1 . . . . A 30 PRO CB . 30773 1 221 . 1 . 1 30 30 PRO CG C 13 27.445 0.00 . 1 . . . . A 30 PRO CG . 30773 1 222 . 1 . 1 30 30 PRO CD C 13 50.664 0.00 . 1 . . . . A 30 PRO CD . 30773 1 223 . 1 . 1 31 31 ALA H H 1 8.408 0.00 . 1 . . . . A 31 ALA H . 30773 1 224 . 1 . 1 31 31 ALA HA H 1 4.285 0.00 . 1 . . . . A 31 ALA HA . 30773 1 225 . 1 . 1 31 31 ALA HB1 H 1 1.382 0.00 . 1 . . . . A 31 ALA HB1 . 30773 1 226 . 1 . 1 31 31 ALA HB2 H 1 1.382 0.00 . 1 . . . . A 31 ALA HB2 . 30773 1 227 . 1 . 1 31 31 ALA HB3 H 1 1.382 0.00 . 1 . . . . A 31 ALA HB3 . 30773 1 228 . 1 . 1 31 31 ALA C C 13 177.628 0.02 . 1 . . . . A 31 ALA C . 30773 1 229 . 1 . 1 31 31 ALA CA C 13 52.284 0.02 . 1 . . . . A 31 ALA CA . 30773 1 230 . 1 . 1 31 31 ALA CB C 13 19.291 0.05 . 1 . . . . A 31 ALA CB . 30773 1 231 . 1 . 1 31 31 ALA N N 15 124.638 0.05 . 1 . . . . A 31 ALA N . 30773 1 232 . 1 . 1 32 32 ALA H H 1 8.300 0.00 . 1 . . . . A 32 ALA H . 30773 1 233 . 1 . 1 32 32 ALA HA H 1 4.278 0.00 . 1 . . . . A 32 ALA HA . 30773 1 234 . 1 . 1 32 32 ALA HB1 H 1 1.386 0.00 . 1 . . . . A 32 ALA HB1 . 30773 1 235 . 1 . 1 32 32 ALA HB2 H 1 1.386 0.00 . 1 . . . . A 32 ALA HB2 . 30773 1 236 . 1 . 1 32 32 ALA HB3 H 1 1.386 0.00 . 1 . . . . A 32 ALA HB3 . 30773 1 237 . 1 . 1 32 32 ALA C C 13 177.853 0.02 . 1 . . . . A 32 ALA C . 30773 1 238 . 1 . 1 32 32 ALA CA C 13 52.494 0.04 . 1 . . . . A 32 ALA CA . 30773 1 239 . 1 . 1 32 32 ALA CB C 13 19.360 0.03 . 1 . . . . A 32 ALA CB . 30773 1 240 . 1 . 1 32 32 ALA N N 15 123.828 0.05 . 1 . . . . A 32 ALA N . 30773 1 241 . 1 . 1 33 33 GLU H H 1 8.343 0.00 . 1 . . . . A 33 GLU H . 30773 1 242 . 1 . 1 33 33 GLU HA H 1 4.247 0.00 . 1 . . . . A 33 GLU HA . 30773 1 243 . 1 . 1 33 33 GLU HB2 H 1 1.940 0.03 . 2 . . . . A 33 GLU HB2 . 30773 1 244 . 1 . 1 33 33 GLU HG2 H 1 2.271 0.00 . 2 . . . . A 33 GLU HG2 . 30773 1 245 . 1 . 1 33 33 GLU C C 13 176.037 0.00 . 1 . . . . A 33 GLU C . 30773 1 246 . 1 . 1 33 33 GLU CA C 13 56.297 0.04 . 1 . . . . A 33 GLU CA . 30773 1 247 . 1 . 1 33 33 GLU CB C 13 30.392 0.20 . 1 . . . . A 33 GLU CB . 30773 1 248 . 1 . 1 33 33 GLU CG C 13 36.078 0.00 . 1 . . . . A 33 GLU CG . 30773 1 249 . 1 . 1 33 33 GLU N N 15 120.202 0.04 . 1 . . . . A 33 GLU N . 30773 1 250 . 1 . 1 34 34 ALA H H 1 8.279 0.00 . 1 . . . . A 34 ALA H . 30773 1 251 . 1 . 1 34 34 ALA HA H 1 4.287 0.01 . 1 . . . . A 34 ALA HA . 30773 1 252 . 1 . 1 34 34 ALA HB1 H 1 1.362 0.01 . 1 . . . . A 34 ALA HB1 . 30773 1 253 . 1 . 1 34 34 ALA HB2 H 1 1.362 0.01 . 1 . . . . A 34 ALA HB2 . 30773 1 254 . 1 . 1 34 34 ALA HB3 H 1 1.362 0.01 . 1 . . . . A 34 ALA HB3 . 30773 1 255 . 1 . 1 34 34 ALA C C 13 176.952 0.02 . 1 . . . . A 34 ALA C . 30773 1 256 . 1 . 1 34 34 ALA CA C 13 52.145 0.03 . 1 . . . . A 34 ALA CA . 30773 1 257 . 1 . 1 34 34 ALA CB C 13 19.404 0.05 . 1 . . . . A 34 ALA CB . 30773 1 258 . 1 . 1 34 34 ALA N N 15 125.599 0.04 . 1 . . . . A 34 ALA N . 30773 1 259 . 1 . 1 35 35 ALA H H 1 8.256 0.00 . 1 . . . . A 35 ALA H . 30773 1 260 . 1 . 1 35 35 ALA HA H 1 4.583 0.00 . 1 . . . . A 35 ALA HA . 30773 1 261 . 1 . 1 35 35 ALA HB1 H 1 1.351 0.00 . 1 . . . . A 35 ALA HB1 . 30773 1 262 . 1 . 1 35 35 ALA HB2 H 1 1.351 0.00 . 1 . . . . A 35 ALA HB2 . 30773 1 263 . 1 . 1 35 35 ALA HB3 H 1 1.351 0.00 . 1 . . . . A 35 ALA HB3 . 30773 1 264 . 1 . 1 35 35 ALA C C 13 175.029 0.00 . 1 . . . . A 35 ALA C . 30773 1 265 . 1 . 1 35 35 ALA CA C 13 50.325 0.01 . 1 . . . . A 35 ALA CA . 30773 1 266 . 1 . 1 35 35 ALA CB C 13 18.156 0.00 . 1 . . . . A 35 ALA CB . 30773 1 267 . 1 . 1 35 35 ALA N N 15 125.127 0.06 . 1 . . . . A 35 ALA N . 30773 1 268 . 1 . 1 46 46 PRO HA H 1 4.429 0.00 . 1 . . . . A 46 PRO HA . 30773 1 269 . 1 . 1 46 46 PRO HB2 H 1 1.864 0.01 . 1 . . . . A 46 PRO HB2 . 30773 1 270 . 1 . 1 46 46 PRO HB3 H 1 2.261 0.01 . 1 . . . . A 46 PRO HB3 . 30773 1 271 . 1 . 1 46 46 PRO HG2 H 1 2.021 0.00 . 2 . . . . A 46 PRO HG2 . 30773 1 272 . 1 . 1 46 46 PRO C C 13 176.773 0.00 . 1 . . . . A 46 PRO C . 30773 1 273 . 1 . 1 46 46 PRO CA C 13 62.981 0.04 . 1 . . . . A 46 PRO CA . 30773 1 274 . 1 . 1 46 46 PRO CB C 13 32.025 0.05 . 1 . . . . A 46 PRO CB . 30773 1 275 . 1 . 1 46 46 PRO CG C 13 27.452 0.00 . 1 . . . . A 46 PRO CG . 30773 1 276 . 1 . 1 46 46 PRO CD C 13 50.779 0.00 . 1 . . . . A 46 PRO CD . 30773 1 277 . 1 . 1 47 47 VAL H H 1 8.202 0.00 . 1 . . . . A 47 VAL H . 30773 1 278 . 1 . 1 47 47 VAL HA H 1 4.073 0.00 . 1 . . . . A 47 VAL HA . 30773 1 279 . 1 . 1 47 47 VAL HB H 1 1.978 0.00 . 1 . . . . A 47 VAL HB . 30773 1 280 . 1 . 1 47 47 VAL HG11 H 1 0.866 0.00 . 2 . . . . A 47 VAL HG11 . 30773 1 281 . 1 . 1 47 47 VAL HG12 H 1 0.866 0.00 . 2 . . . . A 47 VAL HG12 . 30773 1 282 . 1 . 1 47 47 VAL HG13 H 1 0.866 0.00 . 2 . . . . A 47 VAL HG13 . 30773 1 283 . 1 . 1 47 47 VAL C C 13 175.926 0.01 . 1 . . . . A 47 VAL C . 30773 1 284 . 1 . 1 47 47 VAL CA C 13 62.170 0.11 . 1 . . . . A 47 VAL CA . 30773 1 285 . 1 . 1 47 47 VAL CB C 13 33.081 0.28 . 1 . . . . A 47 VAL CB . 30773 1 286 . 1 . 1 47 47 VAL CG2 C 13 20.993 0.00 . 2 . . . . A 47 VAL CG2 . 30773 1 287 . 1 . 1 47 47 VAL N N 15 120.538 0.14 . 1 . . . . A 47 VAL N . 30773 1 288 . 1 . 1 48 48 SER H H 1 8.264 0.00 . 1 . . . . A 48 SER H . 30773 1 289 . 1 . 1 48 48 SER HA H 1 4.456 0.01 . 1 . . . . A 48 SER HA . 30773 1 290 . 1 . 1 48 48 SER HB2 H 1 3.769 0.01 . 2 . . . . A 48 SER HB2 . 30773 1 291 . 1 . 1 48 48 SER C C 13 174.006 0.02 . 1 . . . . A 48 SER C . 30773 1 292 . 1 . 1 48 48 SER CA C 13 57.604 0.08 . 1 . . . . A 48 SER CA . 30773 1 293 . 1 . 1 48 48 SER CB C 13 64.197 0.04 . 1 . . . . A 48 SER CB . 30773 1 294 . 1 . 1 48 48 SER N N 15 119.350 0.02 . 1 . . . . A 48 SER N . 30773 1 295 . 1 . 1 49 49 PHE H H 1 8.398 0.00 . 1 . . . . A 49 PHE H . 30773 1 296 . 1 . 1 49 49 PHE HA H 1 4.662 0.01 . 1 . . . . A 49 PHE HA . 30773 1 297 . 1 . 1 49 49 PHE HB2 H 1 2.963 0.01 . 1 . . . . A 49 PHE HB2 . 30773 1 298 . 1 . 1 49 49 PHE HB3 H 1 3.182 0.01 . 1 . . . . A 49 PHE HB3 . 30773 1 299 . 1 . 1 49 49 PHE C C 13 175.479 0.02 . 1 . . . . A 49 PHE C . 30773 1 300 . 1 . 1 49 49 PHE CA C 13 57.642 0.04 . 1 . . . . A 49 PHE CA . 30773 1 301 . 1 . 1 49 49 PHE CB C 13 39.824 0.05 . 1 . . . . A 49 PHE CB . 30773 1 302 . 1 . 1 49 49 PHE N N 15 122.885 0.04 . 1 . . . . A 49 PHE N . 30773 1 303 . 1 . 1 50 50 ASP H H 1 8.311 0.00 . 1 . . . . A 50 ASP H . 30773 1 304 . 1 . 1 50 50 ASP HA H 1 4.584 0.01 . 1 . . . . A 50 ASP HA . 30773 1 305 . 1 . 1 50 50 ASP HB2 H 1 2.556 0.01 . 1 . . . . A 50 ASP HB2 . 30773 1 306 . 1 . 1 50 50 ASP HB3 H 1 2.703 0.01 . 1 . . . . A 50 ASP HB3 . 30773 1 307 . 1 . 1 50 50 ASP C C 13 175.723 0.01 . 1 . . . . A 50 ASP C . 30773 1 308 . 1 . 1 50 50 ASP CA C 13 54.395 0.06 . 1 . . . . A 50 ASP CA . 30773 1 309 . 1 . 1 50 50 ASP CB C 13 41.070 0.05 . 1 . . . . A 50 ASP CB . 30773 1 310 . 1 . 1 50 50 ASP N N 15 121.673 0.04 . 1 . . . . A 50 ASP N . 30773 1 311 . 1 . 1 51 51 ASP H H 1 8.200 0.00 . 1 . . . . A 51 ASP H . 30773 1 312 . 1 . 1 51 51 ASP HA H 1 4.555 0.01 . 1 . . . . A 51 ASP HA . 30773 1 313 . 1 . 1 51 51 ASP HB2 H 1 2.656 0.00 . 2 . . . . A 51 ASP HB2 . 30773 1 314 . 1 . 1 51 51 ASP C C 13 176.245 0.01 . 1 . . . . A 51 ASP C . 30773 1 315 . 1 . 1 51 51 ASP CA C 13 54.462 0.02 . 1 . . . . A 51 ASP CA . 30773 1 316 . 1 . 1 51 51 ASP CB C 13 41.013 0.04 . 1 . . . . A 51 ASP CB . 30773 1 317 . 1 . 1 51 51 ASP N N 15 120.614 0.04 . 1 . . . . A 51 ASP N . 30773 1 318 . 1 . 1 52 52 GLU H H 1 8.256 0.00 . 1 . . . . A 52 GLU H . 30773 1 319 . 1 . 1 52 52 GLU HA H 1 4.256 0.00 . 1 . . . . A 52 GLU HA . 30773 1 320 . 1 . 1 52 52 GLU HB2 H 1 1.990 0.00 . 2 . . . . A 52 GLU HB2 . 30773 1 321 . 1 . 1 52 52 GLU HG2 H 1 2.257 0.00 . 2 . . . . A 52 GLU HG2 . 30773 1 322 . 1 . 1 52 52 GLU C C 13 176.393 0.00 . 1 . . . . A 52 GLU C . 30773 1 323 . 1 . 1 52 52 GLU CA C 13 56.785 0.09 . 1 . . . . A 52 GLU CA . 30773 1 324 . 1 . 1 52 52 GLU CB C 13 30.182 0.15 . 1 . . . . A 52 GLU CB . 30773 1 325 . 1 . 1 52 52 GLU CG C 13 35.883 0.00 . 1 . . . . A 52 GLU CG . 30773 1 326 . 1 . 1 52 52 GLU N N 15 120.947 0.07 . 1 . . . . A 52 GLU N . 30773 1 327 . 1 . 1 53 53 VAL H H 1 8.156 0.00 . 1 . . . . A 53 VAL H . 30773 1 328 . 1 . 1 53 53 VAL HA H 1 4.048 0.00 . 1 . . . . A 53 VAL HA . 30773 1 329 . 1 . 1 53 53 VAL HB H 1 2.045 0.01 . 1 . . . . A 53 VAL HB . 30773 1 330 . 1 . 1 53 53 VAL HG11 H 1 0.925 0.01 . 2 . . . . A 53 VAL HG11 . 30773 1 331 . 1 . 1 53 53 VAL HG12 H 1 0.925 0.01 . 2 . . . . A 53 VAL HG12 . 30773 1 332 . 1 . 1 53 53 VAL HG13 H 1 0.925 0.01 . 2 . . . . A 53 VAL HG13 . 30773 1 333 . 1 . 1 53 53 VAL C C 13 176.093 0.01 . 1 . . . . A 53 VAL C . 30773 1 334 . 1 . 1 53 53 VAL CA C 13 62.568 0.05 . 1 . . . . A 53 VAL CA . 30773 1 335 . 1 . 1 53 53 VAL CB C 13 32.649 0.24 . 1 . . . . A 53 VAL CB . 30773 1 336 . 1 . 1 53 53 VAL CG2 C 13 21.075 0.00 . 2 . . . . A 53 VAL CG2 . 30773 1 337 . 1 . 1 53 53 VAL N N 15 121.975 0.06 . 1 . . . . A 53 VAL N . 30773 1 338 . 1 . 1 54 54 LEU H H 1 8.258 0.00 . 1 . . . . A 54 LEU H . 30773 1 339 . 1 . 1 54 54 LEU HA H 1 4.357 0.00 . 1 . . . . A 54 LEU HA . 30773 1 340 . 1 . 1 54 54 LEU HB2 H 1 1.579 0.01 . 2 . . . . A 54 LEU HB2 . 30773 1 341 . 1 . 1 54 54 LEU HD11 H 1 0.891 0.00 . 1 . . . . A 54 LEU HD11 . 30773 1 342 . 1 . 1 54 54 LEU HD12 H 1 0.891 0.00 . 1 . . . . A 54 LEU HD12 . 30773 1 343 . 1 . 1 54 54 LEU HD13 H 1 0.891 0.00 . 1 . . . . A 54 LEU HD13 . 30773 1 344 . 1 . 1 54 54 LEU C C 13 177.069 0.02 . 1 . . . . A 54 LEU C . 30773 1 345 . 1 . 1 54 54 LEU CA C 13 55.083 0.10 . 1 . . . . A 54 LEU CA . 30773 1 346 . 1 . 1 54 54 LEU CB C 13 42.529 0.04 . 1 . . . . A 54 LEU CB . 30773 1 347 . 1 . 1 54 54 LEU CG C 13 27.135 0.00 . 1 . . . . A 54 LEU CG . 30773 1 348 . 1 . 1 54 54 LEU CD1 C 13 24.881 0.00 . 1 . . . . A 54 LEU CD1 . 30773 1 349 . 1 . 1 54 54 LEU CD2 C 13 23.815 0.00 . 1 . . . . A 54 LEU CD2 . 30773 1 350 . 1 . 1 54 54 LEU N N 15 126.428 0.03 . 1 . . . . A 54 LEU N . 30773 1 351 . 1 . 1 55 55 GLU H H 1 8.324 0.00 . 1 . . . . A 55 GLU H . 30773 1 352 . 1 . 1 55 55 GLU HA H 1 4.306 0.02 . 1 . . . . A 55 GLU HA . 30773 1 353 . 1 . 1 55 55 GLU HB2 H 1 1.951 0.00 . 2 . . . . A 55 GLU HB2 . 30773 1 354 . 1 . 1 55 55 GLU HG2 H 1 2.254 0.00 . 2 . . . . A 55 GLU HG2 . 30773 1 355 . 1 . 1 55 55 GLU C C 13 176.017 0.01 . 1 . . . . A 55 GLU C . 30773 1 356 . 1 . 1 55 55 GLU CA C 13 56.203 0.05 . 1 . . . . A 55 GLU CA . 30773 1 357 . 1 . 1 55 55 GLU CB C 13 30.189 0.15 . 1 . . . . A 55 GLU CB . 30773 1 358 . 1 . 1 55 55 GLU CG C 13 35.856 0.00 . 1 . . . . A 55 GLU CG . 30773 1 359 . 1 . 1 55 55 GLU N N 15 122.105 0.04 . 1 . . . . A 55 GLU N . 30773 1 360 . 1 . 1 56 56 LEU H H 1 8.297 0.00 . 1 . . . . A 56 LEU H . 30773 1 361 . 1 . 1 56 56 LEU HA H 1 4.429 0.00 . 1 . . . . A 56 LEU HA . 30773 1 362 . 1 . 1 56 56 LEU HB2 H 1 1.626 0.01 . 2 . . . . A 56 LEU HB2 . 30773 1 363 . 1 . 1 56 56 LEU HD11 H 1 0.902 0.00 . 2 . . . . A 56 LEU HD11 . 30773 1 364 . 1 . 1 56 56 LEU HD12 H 1 0.902 0.00 . 2 . . . . A 56 LEU HD12 . 30773 1 365 . 1 . 1 56 56 LEU HD13 H 1 0.902 0.00 . 2 . . . . A 56 LEU HD13 . 30773 1 366 . 1 . 1 56 56 LEU C C 13 177.403 0.03 . 1 . . . . A 56 LEU C . 30773 1 367 . 1 . 1 56 56 LEU CA C 13 55.041 0.07 . 1 . . . . A 56 LEU CA . 30773 1 368 . 1 . 1 56 56 LEU CB C 13 42.318 0.07 . 1 . . . . A 56 LEU CB . 30773 1 369 . 1 . 1 56 56 LEU CG C 13 27.048 0.00 . 1 . . . . A 56 LEU CG . 30773 1 370 . 1 . 1 56 56 LEU CD1 C 13 25.145 0.00 . 1 . . . . A 56 LEU CD1 . 30773 1 371 . 1 . 1 56 56 LEU CD2 C 13 23.480 0.00 . 1 . . . . A 56 LEU CD2 . 30773 1 372 . 1 . 1 56 56 LEU N N 15 123.955 0.06 . 1 . . . . A 56 LEU N . 30773 1 373 . 1 . 1 57 57 THR H H 1 8.123 0.00 . 1 . . . . A 57 THR H . 30773 1 374 . 1 . 1 57 57 THR HB H 1 4.183 0.01 . 1 . . . . A 57 THR HB . 30773 1 375 . 1 . 1 57 57 THR HG21 H 1 1.182 0.00 . 1 . . . . A 57 THR HG21 . 30773 1 376 . 1 . 1 57 57 THR HG22 H 1 1.182 0.00 . 1 . . . . A 57 THR HG22 . 30773 1 377 . 1 . 1 57 57 THR HG23 H 1 1.182 0.00 . 1 . . . . A 57 THR HG23 . 30773 1 378 . 1 . 1 57 57 THR C C 13 174.061 0.01 . 1 . . . . A 57 THR C . 30773 1 379 . 1 . 1 57 57 THR CA C 13 61.594 0.08 . 1 . . . . A 57 THR CA . 30773 1 380 . 1 . 1 57 57 THR CB C 13 70.026 0.03 . 1 . . . . A 57 THR CB . 30773 1 381 . 1 . 1 57 57 THR CG2 C 13 21.707 0.00 . 1 . . . . A 57 THR CG2 . 30773 1 382 . 1 . 1 57 57 THR N N 15 115.082 0.03 . 1 . . . . A 57 THR N . 30773 1 383 . 1 . 1 58 58 ASP H H 1 8.302 0.00 . 1 . . . . A 58 ASP H . 30773 1 384 . 1 . 1 58 58 ASP C C 13 174.181 0.00 . 1 . . . . A 58 ASP C . 30773 1 385 . 1 . 1 58 58 ASP CA C 13 52.660 0.00 . 1 . . . . A 58 ASP CA . 30773 1 386 . 1 . 1 58 58 ASP CB C 13 40.775 0.00 . 1 . . . . A 58 ASP CB . 30773 1 387 . 1 . 1 58 58 ASP N N 15 124.151 0.06 . 1 . . . . A 58 ASP N . 30773 1 388 . 1 . 1 59 59 PRO HA H 1 4.423 0.00 . 1 . . . . A 59 PRO HA . 30773 1 389 . 1 . 1 59 59 PRO HB2 H 1 1.914 0.02 . 1 . . . . A 59 PRO HB2 . 30773 1 390 . 1 . 1 59 59 PRO HB3 H 1 2.260 0.00 . 1 . . . . A 59 PRO HB3 . 30773 1 391 . 1 . 1 59 59 PRO HG2 H 1 2.006 0.00 . 2 . . . . A 59 PRO HG2 . 30773 1 392 . 1 . 1 59 59 PRO C C 13 176.815 0.00 . 1 . . . . A 59 PRO C . 30773 1 393 . 1 . 1 59 59 PRO CA C 13 63.107 0.04 . 1 . . . . A 59 PRO CA . 30773 1 394 . 1 . 1 59 59 PRO CB C 13 32.151 0.05 . 1 . . . . A 59 PRO CB . 30773 1 395 . 1 . 1 59 59 PRO CG C 13 27.299 0.00 . 1 . . . . A 59 PRO CG . 30773 1 396 . 1 . 1 59 59 PRO CD C 13 50.725 0.00 . 1 . . . . A 59 PRO CD . 30773 1 397 . 1 . 1 60 60 ILE H H 1 8.210 0.00 . 1 . . . . A 60 ILE H . 30773 1 398 . 1 . 1 60 60 ILE HA H 1 4.104 0.00 . 1 . . . . A 60 ILE HA . 30773 1 399 . 1 . 1 60 60 ILE HB H 1 1.840 0.01 . 1 . . . . A 60 ILE HB . 30773 1 400 . 1 . 1 60 60 ILE HG12 H 1 1.470 0.00 . 2 . . . . A 60 ILE HG12 . 30773 1 401 . 1 . 1 60 60 ILE HG21 H 1 1.195 0.00 . 1 . . . . A 60 ILE HG21 . 30773 1 402 . 1 . 1 60 60 ILE HG22 H 1 1.195 0.00 . 1 . . . . A 60 ILE HG22 . 30773 1 403 . 1 . 1 60 60 ILE HG23 H 1 1.195 0.00 . 1 . . . . A 60 ILE HG23 . 30773 1 404 . 1 . 1 60 60 ILE HD11 H 1 0.900 0.01 . 1 . . . . A 60 ILE HD11 . 30773 1 405 . 1 . 1 60 60 ILE HD12 H 1 0.900 0.01 . 1 . . . . A 60 ILE HD12 . 30773 1 406 . 1 . 1 60 60 ILE HD13 H 1 0.900 0.01 . 1 . . . . A 60 ILE HD13 . 30773 1 407 . 1 . 1 60 60 ILE C C 13 175.805 0.00 . 1 . . . . A 60 ILE C . 30773 1 408 . 1 . 1 60 60 ILE CA C 13 60.891 0.07 . 1 . . . . A 60 ILE CA . 30773 1 409 . 1 . 1 60 60 ILE CB C 13 38.538 0.07 . 1 . . . . A 60 ILE CB . 30773 1 410 . 1 . 1 60 60 ILE CG1 C 13 27.366 0.00 . 1 . . . . A 60 ILE CG1 . 30773 1 411 . 1 . 1 60 60 ILE CG2 C 13 17.576 0.00 . 1 . . . . A 60 ILE CG2 . 30773 1 412 . 1 . 1 60 60 ILE CD1 C 13 12.981 0.00 . 1 . . . . A 60 ILE CD1 . 30773 1 413 . 1 . 1 60 60 ILE N N 15 121.075 0.06 . 1 . . . . A 60 ILE N . 30773 1 414 . 1 . 1 61 61 ALA H H 1 8.320 0.00 . 1 . . . . A 61 ALA H . 30773 1 415 . 1 . 1 61 61 ALA HA H 1 4.603 0.00 . 1 . . . . A 61 ALA HA . 30773 1 416 . 1 . 1 61 61 ALA HB1 H 1 1.350 0.00 . 1 . . . . A 61 ALA HB1 . 30773 1 417 . 1 . 1 61 61 ALA HB2 H 1 1.350 0.00 . 1 . . . . A 61 ALA HB2 . 30773 1 418 . 1 . 1 61 61 ALA HB3 H 1 1.350 0.00 . 1 . . . . A 61 ALA HB3 . 30773 1 419 . 1 . 1 61 61 ALA C C 13 175.277 0.00 . 1 . . . . A 61 ALA C . 30773 1 420 . 1 . 1 61 61 ALA CA C 13 50.331 0.02 . 1 . . . . A 61 ALA CA . 30773 1 421 . 1 . 1 61 61 ALA CB C 13 18.390 0.00 . 1 . . . . A 61 ALA CB . 30773 1 422 . 1 . 1 61 61 ALA N N 15 129.866 0.05 . 1 . . . . A 61 ALA N . 30773 1 423 . 1 . 1 64 64 PRO HA H 1 4.389 0.00 . 1 . . . . A 64 PRO HA . 30773 1 424 . 1 . 1 64 64 PRO HB3 H 1 2.272 0.01 . 1 . . . . A 64 PRO HB3 . 30773 1 425 . 1 . 1 64 64 PRO HD2 H 1 3.735 0.00 . 2 . . . . A 64 PRO HD2 . 30773 1 426 . 1 . 1 64 64 PRO C C 13 176.668 0.00 . 1 . . . . A 64 PRO C . 30773 1 427 . 1 . 1 64 64 PRO CA C 13 62.994 0.11 . 1 . . . . A 64 PRO CA . 30773 1 428 . 1 . 1 64 64 PRO CB C 13 32.183 0.05 . 1 . . . . A 64 PRO CB . 30773 1 429 . 1 . 1 64 64 PRO CG C 13 27.344 0.00 . 1 . . . . A 64 PRO CG . 30773 1 430 . 1 . 1 64 64 PRO CD C 13 50.651 0.00 . 1 . . . . A 64 PRO CD . 30773 1 431 . 1 . 1 65 65 GLU H H 1 8.440 0.00 . 1 . . . . A 65 GLU H . 30773 1 432 . 1 . 1 65 65 GLU HA H 1 4.258 0.01 . 1 . . . . A 65 GLU HA . 30773 1 433 . 1 . 1 65 65 GLU HB2 H 1 1.942 0.02 . 2 . . . . A 65 GLU HB2 . 30773 1 434 . 1 . 1 65 65 GLU HG2 H 1 2.284 0.01 . 2 . . . . A 65 GLU HG2 . 30773 1 435 . 1 . 1 65 65 GLU C C 13 176.175 0.01 . 1 . . . . A 65 GLU C . 30773 1 436 . 1 . 1 65 65 GLU CA C 13 56.227 0.06 . 1 . . . . A 65 GLU CA . 30773 1 437 . 1 . 1 65 65 GLU CB C 13 30.393 0.16 . 1 . . . . A 65 GLU CB . 30773 1 438 . 1 . 1 65 65 GLU CG C 13 36.107 0.00 . 1 . . . . A 65 GLU CG . 30773 1 439 . 1 . 1 65 65 GLU N N 15 121.423 0.07 . 1 . . . . A 65 GLU N . 30773 1 440 . 1 . 1 66 66 LEU H H 1 8.328 0.00 . 1 . . . . A 66 LEU H . 30773 1 441 . 1 . 1 66 66 LEU HA H 1 4.629 0.01 . 1 . . . . A 66 LEU HA . 30773 1 442 . 1 . 1 66 66 LEU HB2 H 1 1.565 0.01 . 2 . . . . A 66 LEU HB2 . 30773 1 443 . 1 . 1 66 66 LEU C C 13 174.717 0.00 . 1 . . . . A 66 LEU C . 30773 1 444 . 1 . 1 66 66 LEU CA C 13 52.837 0.02 . 1 . . . . A 66 LEU CA . 30773 1 445 . 1 . 1 66 66 LEU CB C 13 41.719 0.00 . 1 . . . . A 66 LEU CB . 30773 1 446 . 1 . 1 66 66 LEU N N 15 125.348 0.04 . 1 . . . . A 66 LEU N . 30773 1 447 . 1 . 1 68 68 PRO HA H 1 4.418 0.00 . 1 . . . . A 68 PRO HA . 30773 1 448 . 1 . 1 68 68 PRO HB2 H 1 1.926 0.02 . 1 . . . . A 68 PRO HB2 . 30773 1 449 . 1 . 1 68 68 PRO HB3 H 1 2.279 0.01 . 1 . . . . A 68 PRO HB3 . 30773 1 450 . 1 . 1 68 68 PRO C C 13 176.990 0.00 . 1 . . . . A 68 PRO C . 30773 1 451 . 1 . 1 68 68 PRO CA C 13 62.751 0.05 . 1 . . . . A 68 PRO CA . 30773 1 452 . 1 . 1 68 68 PRO CB C 13 32.007 0.04 . 1 . . . . A 68 PRO CB . 30773 1 453 . 1 . 1 68 68 PRO CG C 13 27.409 0.00 . 1 . . . . A 68 PRO CG . 30773 1 454 . 1 . 1 68 68 PRO CD C 13 50.472 0.00 . 1 . . . . A 68 PRO CD . 30773 1 455 . 1 . 1 69 69 LEU H H 1 8.306 0.00 . 1 . . . . A 69 LEU H . 30773 1 456 . 1 . 1 69 69 LEU HA H 1 4.295 0.00 . 1 . . . . A 69 LEU HA . 30773 1 457 . 1 . 1 69 69 LEU HB2 H 1 1.595 0.01 . 2 . . . . A 69 LEU HB2 . 30773 1 458 . 1 . 1 69 69 LEU HD11 H 1 0.907 0.00 . 2 . . . . A 69 LEU HD11 . 30773 1 459 . 1 . 1 69 69 LEU HD12 H 1 0.907 0.00 . 2 . . . . A 69 LEU HD12 . 30773 1 460 . 1 . 1 69 69 LEU HD13 H 1 0.907 0.00 . 2 . . . . A 69 LEU HD13 . 30773 1 461 . 1 . 1 69 69 LEU C C 13 177.577 0.00 . 1 . . . . A 69 LEU C . 30773 1 462 . 1 . 1 69 69 LEU CA C 13 55.400 0.11 . 1 . . . . A 69 LEU CA . 30773 1 463 . 1 . 1 69 69 LEU CB C 13 42.506 0.03 . 1 . . . . A 69 LEU CB . 30773 1 464 . 1 . 1 69 69 LEU CG C 13 27.074 0.00 . 1 . . . . A 69 LEU CG . 30773 1 465 . 1 . 1 69 69 LEU CD1 C 13 24.381 0.00 . 2 . . . . A 69 LEU CD1 . 30773 1 466 . 1 . 1 69 69 LEU N N 15 122.508 0.03 . 1 . . . . A 69 LEU N . 30773 1 467 . 1 . 1 70 70 GLU H H 1 8.447 0.02 . 1 . . . . A 70 GLU H . 30773 1 468 . 1 . 1 70 70 GLU HA H 1 4.369 0.01 . 1 . . . . A 70 GLU HA . 30773 1 469 . 1 . 1 70 70 GLU HB2 H 1 1.938 0.00 . 1 . . . . A 70 GLU HB2 . 30773 1 470 . 1 . 1 70 70 GLU HB3 H 1 2.049 0.01 . 1 . . . . A 70 GLU HB3 . 30773 1 471 . 1 . 1 70 70 GLU HG2 H 1 2.263 0.00 . 2 . . . . A 70 GLU HG2 . 30773 1 472 . 1 . 1 70 70 GLU C C 13 176.427 0.02 . 1 . . . . A 70 GLU C . 30773 1 473 . 1 . 1 70 70 GLU CA C 13 56.453 0.08 . 1 . . . . A 70 GLU CA . 30773 1 474 . 1 . 1 70 70 GLU CB C 13 30.449 0.15 . 1 . . . . A 70 GLU CB . 30773 1 475 . 1 . 1 70 70 GLU CG C 13 36.046 0.00 . 1 . . . . A 70 GLU CG . 30773 1 476 . 1 . 1 70 70 GLU N N 15 121.700 0.26 . 1 . . . . A 70 GLU N . 30773 1 477 . 1 . 1 71 71 THR H H 1 8.228 0.00 . 1 . . . . A 71 THR H . 30773 1 478 . 1 . 1 71 71 THR HA H 1 4.372 0.01 . 1 . . . . A 71 THR HA . 30773 1 479 . 1 . 1 71 71 THR HB H 1 4.186 0.01 . 1 . . . . A 71 THR HB . 30773 1 480 . 1 . 1 71 71 THR HG21 H 1 1.175 0.00 . 1 . . . . A 71 THR HG21 . 30773 1 481 . 1 . 1 71 71 THR HG22 H 1 1.175 0.00 . 1 . . . . A 71 THR HG22 . 30773 1 482 . 1 . 1 71 71 THR HG23 H 1 1.175 0.00 . 1 . . . . A 71 THR HG23 . 30773 1 483 . 1 . 1 71 71 THR C C 13 174.466 0.02 . 1 . . . . A 71 THR C . 30773 1 484 . 1 . 1 71 71 THR CA C 13 61.665 0.06 . 1 . . . . A 71 THR CA . 30773 1 485 . 1 . 1 71 71 THR CB C 13 69.903 0.02 . 1 . . . . A 71 THR CB . 30773 1 486 . 1 . 1 71 71 THR CG2 C 13 21.741 0.00 . 1 . . . . A 71 THR CG2 . 30773 1 487 . 1 . 1 71 71 THR N N 15 115.833 0.02 . 1 . . . . A 71 THR N . 30773 1 488 . 1 . 1 72 72 VAL H H 1 8.207 0.00 . 1 . . . . A 72 VAL H . 30773 1 489 . 1 . 1 72 72 VAL HA H 1 4.137 0.01 . 1 . . . . A 72 VAL HA . 30773 1 490 . 1 . 1 72 72 VAL HB H 1 2.092 0.00 . 1 . . . . A 72 VAL HB . 30773 1 491 . 1 . 1 72 72 VAL HG11 H 1 0.950 0.00 . 2 . . . . A 72 VAL HG11 . 30773 1 492 . 1 . 1 72 72 VAL HG12 H 1 0.950 0.00 . 2 . . . . A 72 VAL HG12 . 30773 1 493 . 1 . 1 72 72 VAL HG13 H 1 0.950 0.00 . 2 . . . . A 72 VAL HG13 . 30773 1 494 . 1 . 1 72 72 VAL C C 13 176.480 0.01 . 1 . . . . A 72 VAL C . 30773 1 495 . 1 . 1 72 72 VAL CA C 13 62.541 0.03 . 1 . . . . A 72 VAL CA . 30773 1 496 . 1 . 1 72 72 VAL CB C 13 32.896 0.22 . 1 . . . . A 72 VAL CB . 30773 1 497 . 1 . 1 72 72 VAL CG2 C 13 20.944 0.00 . 2 . . . . A 72 VAL CG2 . 30773 1 498 . 1 . 1 72 72 VAL N N 15 122.708 0.03 . 1 . . . . A 72 VAL N . 30773 1 499 . 1 . 1 73 73 GLY H H 1 8.426 0.00 . 1 . . . . A 73 GLY H . 30773 1 500 . 1 . 1 73 73 GLY HA2 H 1 3.954 0.01 . 2 . . . . A 73 GLY HA2 . 30773 1 501 . 1 . 1 73 73 GLY C C 13 173.626 0.00 . 1 . . . . A 73 GLY C . 30773 1 502 . 1 . 1 73 73 GLY CA C 13 45.140 0.06 . 1 . . . . A 73 GLY CA . 30773 1 503 . 1 . 1 73 73 GLY N N 15 112.336 0.03 . 1 . . . . A 73 GLY N . 30773 1 504 . 1 . 1 74 74 ASP H H 1 8.243 0.00 . 1 . . . . A 74 ASP H . 30773 1 505 . 1 . 1 74 74 ASP HA H 1 4.624 0.00 . 1 . . . . A 74 ASP HA . 30773 1 506 . 1 . 1 74 74 ASP HB2 H 1 2.588 0.01 . 1 . . . . A 74 ASP HB2 . 30773 1 507 . 1 . 1 74 74 ASP HB3 H 1 2.693 0.01 . 1 . . . . A 74 ASP HB3 . 30773 1 508 . 1 . 1 74 74 ASP C C 13 176.252 0.00 . 1 . . . . A 74 ASP C . 30773 1 509 . 1 . 1 74 74 ASP CA C 13 54.309 0.04 . 1 . . . . A 74 ASP CA . 30773 1 510 . 1 . 1 74 74 ASP CB C 13 41.105 0.04 . 1 . . . . A 74 ASP CB . 30773 1 511 . 1 . 1 74 74 ASP N N 15 120.649 0.02 . 1 . . . . A 74 ASP N . 30773 1 512 . 1 . 1 75 75 ILE H H 1 8.065 0.00 . 1 . . . . A 75 ILE H . 30773 1 513 . 1 . 1 75 75 ILE HA H 1 4.172 0.00 . 1 . . . . A 75 ILE HA . 30773 1 514 . 1 . 1 75 75 ILE HB H 1 1.868 0.00 . 1 . . . . A 75 ILE HB . 30773 1 515 . 1 . 1 75 75 ILE HG12 H 1 1.435 0.00 . 2 . . . . A 75 ILE HG12 . 30773 1 516 . 1 . 1 75 75 ILE HG21 H 1 1.170 0.00 . 1 . . . . A 75 ILE HG21 . 30773 1 517 . 1 . 1 75 75 ILE HG22 H 1 1.170 0.00 . 1 . . . . A 75 ILE HG22 . 30773 1 518 . 1 . 1 75 75 ILE HG23 H 1 1.170 0.00 . 1 . . . . A 75 ILE HG23 . 30773 1 519 . 1 . 1 75 75 ILE HD11 H 1 0.889 0.00 . 1 . . . . A 75 ILE HD11 . 30773 1 520 . 1 . 1 75 75 ILE HD12 H 1 0.889 0.00 . 1 . . . . A 75 ILE HD12 . 30773 1 521 . 1 . 1 75 75 ILE HD13 H 1 0.889 0.00 . 1 . . . . A 75 ILE HD13 . 30773 1 522 . 1 . 1 75 75 ILE C C 13 175.856 0.02 . 1 . . . . A 75 ILE C . 30773 1 523 . 1 . 1 75 75 ILE CA C 13 61.219 0.03 . 1 . . . . A 75 ILE CA . 30773 1 524 . 1 . 1 75 75 ILE CB C 13 39.178 0.09 . 1 . . . . A 75 ILE CB . 30773 1 525 . 1 . 1 75 75 ILE CG1 C 13 27.313 0.00 . 1 . . . . A 75 ILE CG1 . 30773 1 526 . 1 . 1 75 75 ILE CG2 C 13 17.677 0.00 . 1 . . . . A 75 ILE CG2 . 30773 1 527 . 1 . 1 75 75 ILE CD1 C 13 13.341 0.00 . 1 . . . . A 75 ILE CD1 . 30773 1 528 . 1 . 1 75 75 ILE N N 15 120.147 0.02 . 1 . . . . A 75 ILE N . 30773 1 529 . 1 . 1 76 76 ASP H H 1 8.406 0.00 . 1 . . . . A 76 ASP H . 30773 1 530 . 1 . 1 76 76 ASP HA H 1 4.625 0.00 . 1 . . . . A 76 ASP HA . 30773 1 531 . 1 . 1 76 76 ASP HB2 H 1 2.647 0.00 . 2 . . . . A 76 ASP HB2 . 30773 1 532 . 1 . 1 76 76 ASP C C 13 175.983 0.03 . 1 . . . . A 76 ASP C . 30773 1 533 . 1 . 1 76 76 ASP CA C 13 54.319 0.03 . 1 . . . . A 76 ASP CA . 30773 1 534 . 1 . 1 76 76 ASP CB C 13 41.039 0.04 . 1 . . . . A 76 ASP CB . 30773 1 535 . 1 . 1 76 76 ASP N N 15 124.102 0.05 . 1 . . . . A 76 ASP N . 30773 1 536 . 1 . 1 77 77 VAL H H 1 7.953 0.00 . 1 . . . . A 77 VAL H . 30773 1 537 . 1 . 1 77 77 VAL HA H 1 4.069 0.01 . 1 . . . . A 77 VAL HA . 30773 1 538 . 1 . 1 77 77 VAL HB H 1 2.014 0.01 . 1 . . . . A 77 VAL HB . 30773 1 539 . 1 . 1 77 77 VAL HG11 H 1 0.833 0.00 . 2 . . . . A 77 VAL HG11 . 30773 1 540 . 1 . 1 77 77 VAL HG12 H 1 0.833 0.00 . 2 . . . . A 77 VAL HG12 . 30773 1 541 . 1 . 1 77 77 VAL HG13 H 1 0.833 0.00 . 2 . . . . A 77 VAL HG13 . 30773 1 542 . 1 . 1 77 77 VAL C C 13 175.717 0.01 . 1 . . . . A 77 VAL C . 30773 1 543 . 1 . 1 77 77 VAL CA C 13 62.245 0.12 . 1 . . . . A 77 VAL CA . 30773 1 544 . 1 . 1 77 77 VAL CB C 13 32.690 0.05 . 1 . . . . A 77 VAL CB . 30773 1 545 . 1 . 1 77 77 VAL CG2 C 13 20.721 0.00 . 2 . . . . A 77 VAL CG2 . 30773 1 546 . 1 . 1 77 77 VAL N N 15 120.029 0.02 . 1 . . . . A 77 VAL N . 30773 1 547 . 1 . 1 78 78 TYR H H 1 8.319 0.00 . 1 . . . . A 78 TYR H . 30773 1 548 . 1 . 1 78 78 TYR HA H 1 4.565 0.00 . 1 . . . . A 78 TYR HA . 30773 1 549 . 1 . 1 78 78 TYR HB2 H 1 2.975 0.01 . 2 . . . . A 78 TYR HB2 . 30773 1 550 . 1 . 1 78 78 TYR C C 13 175.336 0.02 . 1 . . . . A 78 TYR C . 30773 1 551 . 1 . 1 78 78 TYR CA C 13 58.079 0.05 . 1 . . . . A 78 TYR CA . 30773 1 552 . 1 . 1 78 78 TYR CB C 13 38.969 0.02 . 1 . . . . A 78 TYR CB . 30773 1 553 . 1 . 1 78 78 TYR N N 15 124.614 0.06 . 1 . . . . A 78 TYR N . 30773 1 554 . 1 . 1 79 79 SER H H 1 7.967 0.00 . 1 . . . . A 79 SER H . 30773 1 555 . 1 . 1 79 79 SER HA H 1 4.643 0.00 . 1 . . . . A 79 SER HA . 30773 1 556 . 1 . 1 79 79 SER HB2 H 1 3.673 0.00 . 1 . . . . A 79 SER HB2 . 30773 1 557 . 1 . 1 79 79 SER HB3 H 1 3.737 0.01 . 1 . . . . A 79 SER HB3 . 30773 1 558 . 1 . 1 79 79 SER C C 13 171.223 0.00 . 1 . . . . A 79 SER C . 30773 1 559 . 1 . 1 79 79 SER CA C 13 55.580 0.05 . 1 . . . . A 79 SER CA . 30773 1 560 . 1 . 1 79 79 SER CB C 13 63.619 0.00 . 1 . . . . A 79 SER CB . 30773 1 561 . 1 . 1 79 79 SER N N 15 121.099 0.02 . 1 . . . . A 79 SER N . 30773 1 562 . 1 . 1 83 83 PRO HA H 1 4.393 0.00 . 1 . . . . A 83 PRO HA . 30773 1 563 . 1 . 1 83 83 PRO HB2 H 1 1.919 0.02 . 1 . . . . A 83 PRO HB2 . 30773 1 564 . 1 . 1 83 83 PRO HB3 H 1 2.294 0.00 . 1 . . . . A 83 PRO HB3 . 30773 1 565 . 1 . 1 83 83 PRO HD2 H 1 3.737 0.00 . 2 . . . . A 83 PRO HD2 . 30773 1 566 . 1 . 1 83 83 PRO C C 13 177.041 0.01 . 1 . . . . A 83 PRO C . 30773 1 567 . 1 . 1 83 83 PRO CA C 13 63.221 0.11 . 1 . . . . A 83 PRO CA . 30773 1 568 . 1 . 1 83 83 PRO CB C 13 32.138 0.06 . 1 . . . . A 83 PRO CB . 30773 1 569 . 1 . 1 83 83 PRO CG C 13 27.452 0.00 . 1 . . . . A 83 PRO CG . 30773 1 570 . 1 . 1 83 83 PRO CD C 13 50.706 0.00 . 1 . . . . A 83 PRO CD . 30773 1 571 . 1 . 1 84 84 GLU H H 1 8.570 0.00 . 1 . . . . A 84 GLU H . 30773 1 572 . 1 . 1 84 84 GLU HA H 1 4.254 0.01 . 1 . . . . A 84 GLU HA . 30773 1 573 . 1 . 1 84 84 GLU HB2 H 1 1.978 0.02 . 2 . . . . A 84 GLU HB2 . 30773 1 574 . 1 . 1 84 84 GLU HG2 H 1 2.306 0.00 . 2 . . . . A 84 GLU HG2 . 30773 1 575 . 1 . 1 84 84 GLU C C 13 176.541 0.01 . 1 . . . . A 84 GLU C . 30773 1 576 . 1 . 1 84 84 GLU CA C 13 56.649 0.04 . 1 . . . . A 84 GLU CA . 30773 1 577 . 1 . 1 84 84 GLU CB C 13 30.100 0.13 . 1 . . . . A 84 GLU CB . 30773 1 578 . 1 . 1 84 84 GLU CG C 13 36.140 0.00 . 1 . . . . A 84 GLU CG . 30773 1 579 . 1 . 1 84 84 GLU N N 15 120.853 0.02 . 1 . . . . A 84 GLU N . 30773 1 580 . 1 . 1 85 85 SER H H 1 8.303 0.00 . 1 . . . . A 85 SER H . 30773 1 581 . 1 . 1 85 85 SER HA H 1 4.434 0.01 . 1 . . . . A 85 SER HA . 30773 1 582 . 1 . 1 85 85 SER HB2 H 1 3.842 0.00 . 2 . . . . A 85 SER HB2 . 30773 1 583 . 1 . 1 85 85 SER C C 13 174.102 0.01 . 1 . . . . A 85 SER C . 30773 1 584 . 1 . 1 85 85 SER CA C 13 58.343 0.06 . 1 . . . . A 85 SER CA . 30773 1 585 . 1 . 1 85 85 SER CB C 13 64.132 0.03 . 1 . . . . A 85 SER CB . 30773 1 586 . 1 . 1 85 85 SER N N 15 116.868 0.03 . 1 . . . . A 85 SER N . 30773 1 587 . 1 . 1 86 86 GLU H H 1 8.356 0.00 . 1 . . . . A 86 GLU H . 30773 1 588 . 1 . 1 86 86 GLU HA H 1 4.608 0.00 . 1 . . . . A 86 GLU HA . 30773 1 589 . 1 . 1 86 86 GLU HB2 H 1 1.907 0.00 . 1 . . . . A 86 GLU HB2 . 30773 1 590 . 1 . 1 86 86 GLU HB3 H 1 2.055 0.01 . 1 . . . . A 86 GLU HB3 . 30773 1 591 . 1 . 1 86 86 GLU C C 13 174.402 0.00 . 1 . . . . A 86 GLU C . 30773 1 592 . 1 . 1 86 86 GLU CA C 13 54.346 0.00 . 1 . . . . A 86 GLU CA . 30773 1 593 . 1 . 1 86 86 GLU CB C 13 29.685 0.00 . 1 . . . . A 86 GLU CB . 30773 1 594 . 1 . 1 86 86 GLU N N 15 123.701 0.04 . 1 . . . . A 86 GLU N . 30773 1 595 . 1 . 1 87 87 PRO HA H 1 4.372 0.00 . 1 . . . . A 87 PRO HA . 30773 1 596 . 1 . 1 87 87 PRO HB2 H 1 1.838 0.00 . 1 . . . . A 87 PRO HB2 . 30773 1 597 . 1 . 1 87 87 PRO HB3 H 1 2.251 0.01 . 1 . . . . A 87 PRO HB3 . 30773 1 598 . 1 . 1 87 87 PRO HG2 H 1 2.005 0.00 . 2 . . . . A 87 PRO HG2 . 30773 1 599 . 1 . 1 87 87 PRO HD2 H 1 3.773 0.00 . 2 . . . . A 87 PRO HD2 . 30773 1 600 . 1 . 1 87 87 PRO C C 13 176.583 0.01 . 1 . . . . A 87 PRO C . 30773 1 601 . 1 . 1 87 87 PRO CA C 13 63.086 0.09 . 1 . . . . A 87 PRO CA . 30773 1 602 . 1 . 1 87 87 PRO CB C 13 32.115 0.03 . 1 . . . . A 87 PRO CB . 30773 1 603 . 1 . 1 87 87 PRO CG C 13 27.401 0.00 . 1 . . . . A 87 PRO CG . 30773 1 604 . 1 . 1 87 87 PRO CD C 13 50.757 0.00 . 1 . . . . A 87 PRO CD . 30773 1 605 . 1 . 1 88 88 ALA H H 1 8.389 0.00 . 1 . . . . A 88 ALA H . 30773 1 606 . 1 . 1 88 88 ALA HA H 1 4.278 0.00 . 1 . . . . A 88 ALA HA . 30773 1 607 . 1 . 1 88 88 ALA HB1 H 1 1.348 0.00 . 1 . . . . A 88 ALA HB1 . 30773 1 608 . 1 . 1 88 88 ALA HB2 H 1 1.348 0.00 . 1 . . . . A 88 ALA HB2 . 30773 1 609 . 1 . 1 88 88 ALA HB3 H 1 1.348 0.00 . 1 . . . . A 88 ALA HB3 . 30773 1 610 . 1 . 1 88 88 ALA C C 13 177.301 0.01 . 1 . . . . A 88 ALA C . 30773 1 611 . 1 . 1 88 88 ALA CA C 13 52.341 0.07 . 1 . . . . A 88 ALA CA . 30773 1 612 . 1 . 1 88 88 ALA CB C 13 19.226 0.03 . 1 . . . . A 88 ALA CB . 30773 1 613 . 1 . 1 88 88 ALA N N 15 124.161 0.06 . 1 . . . . A 88 ALA N . 30773 1 614 . 1 . 1 89 89 TYR H H 1 8.188 0.00 . 1 . . . . A 89 TYR H . 30773 1 615 . 1 . 1 89 89 TYR HA H 1 4.561 0.00 . 1 . . . . A 89 TYR HA . 30773 1 616 . 1 . 1 89 89 TYR HB2 H 1 2.865 0.01 . 1 . . . . A 89 TYR HB2 . 30773 1 617 . 1 . 1 89 89 TYR HB3 H 1 3.048 0.01 . 1 . . . . A 89 TYR HB3 . 30773 1 618 . 1 . 1 89 89 TYR C C 13 175.270 0.01 . 1 . . . . A 89 TYR C . 30773 1 619 . 1 . 1 89 89 TYR CA C 13 57.987 0.07 . 1 . . . . A 89 TYR CA . 30773 1 620 . 1 . 1 89 89 TYR CB C 13 39.236 0.04 . 1 . . . . A 89 TYR CB . 30773 1 621 . 1 . 1 89 89 TYR N N 15 120.581 0.02 . 1 . . . . A 89 TYR N . 30773 1 622 . 1 . 1 90 90 THR H H 1 7.892 0.00 . 1 . . . . A 90 THR H . 30773 1 623 . 1 . 1 90 90 THR HA H 1 4.488 0.00 . 1 . . . . A 90 THR HA . 30773 1 624 . 1 . 1 90 90 THR HB H 1 3.933 0.01 . 1 . . . . A 90 THR HB . 30773 1 625 . 1 . 1 90 90 THR C C 13 171.257 0.00 . 1 . . . . A 90 THR C . 30773 1 626 . 1 . 1 90 90 THR CA C 13 58.943 0.02 . 1 . . . . A 90 THR CA . 30773 1 627 . 1 . 1 90 90 THR CB C 13 70.300 0.00 . 1 . . . . A 90 THR CB . 30773 1 628 . 1 . 1 90 90 THR N N 15 121.948 0.03 . 1 . . . . A 90 THR N . 30773 1 629 . 1 . 1 93 93 PRO HA H 1 4.357 0.01 . 1 . . . . A 93 PRO HA . 30773 1 630 . 1 . 1 93 93 PRO HB3 H 1 2.276 0.01 . 1 . . . . A 93 PRO HB3 . 30773 1 631 . 1 . 1 93 93 PRO HD2 H 1 3.625 0.00 . 2 . . . . A 93 PRO HD2 . 30773 1 632 . 1 . 1 93 93 PRO C C 13 176.597 0.02 . 1 . . . . A 93 PRO C . 30773 1 633 . 1 . 1 93 93 PRO CA C 13 62.807 0.03 . 1 . . . . A 93 PRO CA . 30773 1 634 . 1 . 1 93 93 PRO CB C 13 32.081 0.05 . 1 . . . . A 93 PRO CB . 30773 1 635 . 1 . 1 93 93 PRO CG C 13 27.362 0.00 . 1 . . . . A 93 PRO CG . 30773 1 636 . 1 . 1 93 93 PRO CD C 13 50.456 0.00 . 1 . . . . A 93 PRO CD . 30773 1 637 . 1 . 1 94 94 ALA H H 1 8.312 0.00 . 1 . . . . A 94 ALA H . 30773 1 638 . 1 . 1 94 94 ALA HA H 1 4.271 0.01 . 1 . . . . A 94 ALA HA . 30773 1 639 . 1 . 1 94 94 ALA HB1 H 1 1.353 0.00 . 1 . . . . A 94 ALA HB1 . 30773 1 640 . 1 . 1 94 94 ALA HB2 H 1 1.353 0.00 . 1 . . . . A 94 ALA HB2 . 30773 1 641 . 1 . 1 94 94 ALA HB3 H 1 1.353 0.00 . 1 . . . . A 94 ALA HB3 . 30773 1 642 . 1 . 1 94 94 ALA C C 13 177.052 0.02 . 1 . . . . A 94 ALA C . 30773 1 643 . 1 . 1 94 94 ALA CA C 13 52.057 0.04 . 1 . . . . A 94 ALA CA . 30773 1 644 . 1 . 1 94 94 ALA CB C 13 19.366 0.08 . 1 . . . . A 94 ALA CB . 30773 1 645 . 1 . 1 94 94 ALA N N 15 124.367 0.06 . 1 . . . . A 94 ALA N . 30773 1 646 . 1 . 1 95 95 ALA H H 1 8.218 0.00 . 1 . . . . A 95 ALA H . 30773 1 647 . 1 . 1 95 95 ALA HA H 1 4.564 0.01 . 1 . . . . A 95 ALA HA . 30773 1 648 . 1 . 1 95 95 ALA HB1 H 1 1.349 0.00 . 1 . . . . A 95 ALA HB1 . 30773 1 649 . 1 . 1 95 95 ALA HB2 H 1 1.349 0.00 . 1 . . . . A 95 ALA HB2 . 30773 1 650 . 1 . 1 95 95 ALA HB3 H 1 1.349 0.00 . 1 . . . . A 95 ALA HB3 . 30773 1 651 . 1 . 1 95 95 ALA C C 13 175.446 0.00 . 1 . . . . A 95 ALA C . 30773 1 652 . 1 . 1 95 95 ALA CA C 13 50.299 0.01 . 1 . . . . A 95 ALA CA . 30773 1 653 . 1 . 1 95 95 ALA CB C 13 18.201 0.00 . 1 . . . . A 95 ALA CB . 30773 1 654 . 1 . 1 95 95 ALA N N 15 124.825 0.04 . 1 . . . . A 95 ALA N . 30773 1 655 . 1 . 1 96 96 PRO HA H 1 4.363 0.00 . 1 . . . . A 96 PRO HA . 30773 1 656 . 1 . 1 96 96 PRO HB2 H 1 1.680 0.01 . 1 . . . . A 96 PRO HB2 . 30773 1 657 . 1 . 1 96 96 PRO HB3 H 1 2.168 0.01 . 1 . . . . A 96 PRO HB3 . 30773 1 658 . 1 . 1 96 96 PRO HG2 H 1 1.986 0.00 . 2 . . . . A 96 PRO HG2 . 30773 1 659 . 1 . 1 96 96 PRO C C 13 176.430 0.02 . 1 . . . . A 96 PRO C . 30773 1 660 . 1 . 1 96 96 PRO CA C 13 62.824 0.08 . 1 . . . . A 96 PRO CA . 30773 1 661 . 1 . 1 96 96 PRO CB C 13 32.073 0.03 . 1 . . . . A 96 PRO CB . 30773 1 662 . 1 . 1 96 96 PRO CG C 13 27.439 0.00 . 1 . . . . A 96 PRO CG . 30773 1 663 . 1 . 1 96 96 PRO CD C 13 50.535 0.00 . 1 . . . . A 96 PRO CD . 30773 1 664 . 1 . 1 97 97 VAL H H 1 8.097 0.00 . 1 . . . . A 97 VAL H . 30773 1 665 . 1 . 1 97 97 VAL HA H 1 4.037 0.01 . 1 . . . . A 97 VAL HA . 30773 1 666 . 1 . 1 97 97 VAL HB H 1 1.948 0.00 . 1 . . . . A 97 VAL HB . 30773 1 667 . 1 . 1 97 97 VAL HG11 H 1 0.865 0.01 . 2 . . . . A 97 VAL HG11 . 30773 1 668 . 1 . 1 97 97 VAL HG12 H 1 0.865 0.01 . 2 . . . . A 97 VAL HG12 . 30773 1 669 . 1 . 1 97 97 VAL HG13 H 1 0.865 0.01 . 2 . . . . A 97 VAL HG13 . 30773 1 670 . 1 . 1 97 97 VAL C C 13 175.845 0.02 . 1 . . . . A 97 VAL C . 30773 1 671 . 1 . 1 97 97 VAL CA C 13 62.055 0.07 . 1 . . . . A 97 VAL CA . 30773 1 672 . 1 . 1 97 97 VAL CB C 13 33.136 0.19 . 1 . . . . A 97 VAL CB . 30773 1 673 . 1 . 1 97 97 VAL CG2 C 13 21.128 0.00 . 2 . . . . A 97 VAL CG2 . 30773 1 674 . 1 . 1 97 97 VAL N N 15 120.033 0.02 . 1 . . . . A 97 VAL N . 30773 1 675 . 1 . 1 98 98 PHE H H 1 8.286 0.00 . 1 . . . . A 98 PHE H . 30773 1 676 . 1 . 1 98 98 PHE HA H 1 4.677 0.01 . 1 . . . . A 98 PHE HA . 30773 1 677 . 1 . 1 98 98 PHE HB2 H 1 2.952 0.01 . 1 . . . . A 98 PHE HB2 . 30773 1 678 . 1 . 1 98 98 PHE HB3 H 1 3.140 0.01 . 1 . . . . A 98 PHE HB3 . 30773 1 679 . 1 . 1 98 98 PHE C C 13 175.250 0.01 . 1 . . . . A 98 PHE C . 30773 1 680 . 1 . 1 98 98 PHE CA C 13 57.258 0.02 . 1 . . . . A 98 PHE CA . 30773 1 681 . 1 . 1 98 98 PHE CB C 13 40.062 0.09 . 1 . . . . A 98 PHE CB . 30773 1 682 . 1 . 1 98 98 PHE N N 15 123.876 0.04 . 1 . . . . A 98 PHE N . 30773 1 683 . 1 . 1 99 99 ASP H H 1 8.387 0.00 . 1 . . . . A 99 ASP H . 30773 1 684 . 1 . 1 99 99 ASP HA H 1 4.582 0.01 . 1 . . . . A 99 ASP HA . 30773 1 685 . 1 . 1 99 99 ASP HB2 H 1 2.655 0.01 . 2 . . . . A 99 ASP HB2 . 30773 1 686 . 1 . 1 99 99 ASP C C 13 175.881 0.02 . 1 . . . . A 99 ASP C . 30773 1 687 . 1 . 1 99 99 ASP CA C 13 54.137 0.08 . 1 . . . . A 99 ASP CA . 30773 1 688 . 1 . 1 99 99 ASP CB C 13 41.165 0.07 . 1 . . . . A 99 ASP CB . 30773 1 689 . 1 . 1 99 99 ASP N N 15 122.454 0.06 . 1 . . . . A 99 ASP N . 30773 1 690 . 1 . 1 100 100 ARG H H 1 8.205 0.00 . 1 . . . . A 100 ARG H . 30773 1 691 . 1 . 1 100 100 ARG HA H 1 4.257 0.01 . 1 . . . . A 100 ARG HA . 30773 1 692 . 1 . 1 100 100 ARG HB2 H 1 1.815 0.01 . 2 . . . . A 100 ARG HB2 . 30773 1 693 . 1 . 1 100 100 ARG HG2 H 1 1.614 0.01 . 2 . . . . A 100 ARG HG2 . 30773 1 694 . 1 . 1 100 100 ARG HD2 H 1 3.180 0.00 . 2 . . . . A 100 ARG HD2 . 30773 1 695 . 1 . 1 100 100 ARG HE H 1 7.298 0.00 . 1 . . . . A 100 ARG HE . 30773 1 696 . 1 . 1 100 100 ARG C C 13 176.044 0.01 . 1 . . . . A 100 ARG C . 30773 1 697 . 1 . 1 100 100 ARG CA C 13 56.433 0.11 . 1 . . . . A 100 ARG CA . 30773 1 698 . 1 . 1 100 100 ARG CB C 13 30.912 0.07 . 1 . . . . A 100 ARG CB . 30773 1 699 . 1 . 1 100 100 ARG CG C 13 27.020 0.00 . 1 . . . . A 100 ARG CG . 30773 1 700 . 1 . 1 100 100 ARG CD C 13 43.484 0.00 . 1 . . . . A 100 ARG CD . 30773 1 701 . 1 . 1 100 100 ARG N N 15 121.288 0.07 . 1 . . . . A 100 ARG N . 30773 1 702 . 1 . 1 100 100 ARG NE N 15 84.824 0.01 . 1 . . . . A 100 ARG NE . 30773 1 703 . 1 . 1 101 101 ASP H H 1 8.419 0.00 . 1 . . . . A 101 ASP H . 30773 1 704 . 1 . 1 101 101 ASP HA H 1 4.601 0.00 . 1 . . . . A 101 ASP HA . 30773 1 705 . 1 . 1 101 101 ASP HB2 H 1 2.615 0.01 . 1 . . . . A 101 ASP HB2 . 30773 1 706 . 1 . 1 101 101 ASP HB3 H 1 2.728 0.01 . 1 . . . . A 101 ASP HB3 . 30773 1 707 . 1 . 1 101 101 ASP C C 13 176.290 0.01 . 1 . . . . A 101 ASP C . 30773 1 708 . 1 . 1 101 101 ASP CA C 13 54.589 0.02 . 1 . . . . A 101 ASP CA . 30773 1 709 . 1 . 1 101 101 ASP CB C 13 40.966 0.04 . 1 . . . . A 101 ASP CB . 30773 1 710 . 1 . 1 101 101 ASP N N 15 121.179 0.03 . 1 . . . . A 101 ASP N . 30773 1 711 . 1 . 1 102 102 GLU H H 1 8.281 0.00 . 1 . . . . A 102 GLU H . 30773 1 712 . 1 . 1 102 102 GLU HA H 1 4.249 0.01 . 1 . . . . A 102 GLU HA . 30773 1 713 . 1 . 1 102 102 GLU HB2 H 1 1.992 0.00 . 2 . . . . A 102 GLU HB2 . 30773 1 714 . 1 . 1 102 102 GLU HG2 H 1 2.256 0.01 . 2 . . . . A 102 GLU HG2 . 30773 1 715 . 1 . 1 102 102 GLU C C 13 176.784 0.00 . 1 . . . . A 102 GLU C . 30773 1 716 . 1 . 1 102 102 GLU CA C 13 57.017 0.03 . 1 . . . . A 102 GLU CA . 30773 1 717 . 1 . 1 102 102 GLU CB C 13 30.145 0.10 . 1 . . . . A 102 GLU CB . 30773 1 718 . 1 . 1 102 102 GLU CG C 13 36.064 0.00 . 1 . . . . A 102 GLU CG . 30773 1 719 . 1 . 1 102 102 GLU N N 15 121.301 0.03 . 1 . . . . A 102 GLU N . 30773 1 720 . 1 . 1 103 103 VAL H H 1 8.080 0.00 . 1 . . . . A 103 VAL H . 30773 1 721 . 1 . 1 103 103 VAL HA H 1 4.017 0.01 . 1 . . . . A 103 VAL HA . 30773 1 722 . 1 . 1 103 103 VAL HB H 1 2.085 0.01 . 1 . . . . A 103 VAL HB . 30773 1 723 . 1 . 1 103 103 VAL HG11 H 1 0.930 0.01 . 2 . . . . A 103 VAL HG11 . 30773 1 724 . 1 . 1 103 103 VAL HG12 H 1 0.930 0.01 . 2 . . . . A 103 VAL HG12 . 30773 1 725 . 1 . 1 103 103 VAL HG13 H 1 0.930 0.01 . 2 . . . . A 103 VAL HG13 . 30773 1 726 . 1 . 1 103 103 VAL C C 13 176.395 0.01 . 1 . . . . A 103 VAL C . 30773 1 727 . 1 . 1 103 103 VAL CA C 13 62.933 0.05 . 1 . . . . A 103 VAL CA . 30773 1 728 . 1 . 1 103 103 VAL CB C 13 32.620 0.21 . 1 . . . . A 103 VAL CB . 30773 1 729 . 1 . 1 103 103 VAL CG2 C 13 21.147 0.00 . 2 . . . . A 103 VAL CG2 . 30773 1 730 . 1 . 1 103 103 VAL N N 15 120.827 0.05 . 1 . . . . A 103 VAL N . 30773 1 731 . 1 . 1 104 104 ALA H H 1 8.210 0.00 . 1 . . . . A 104 ALA H . 30773 1 732 . 1 . 1 104 104 ALA HA H 1 4.246 0.00 . 1 . . . . A 104 ALA HA . 30773 1 733 . 1 . 1 104 104 ALA HB1 H 1 1.394 0.01 . 1 . . . . A 104 ALA HB1 . 30773 1 734 . 1 . 1 104 104 ALA HB2 H 1 1.394 0.01 . 1 . . . . A 104 ALA HB2 . 30773 1 735 . 1 . 1 104 104 ALA HB3 H 1 1.394 0.01 . 1 . . . . A 104 ALA HB3 . 30773 1 736 . 1 . 1 104 104 ALA C C 13 178.301 0.01 . 1 . . . . A 104 ALA C . 30773 1 737 . 1 . 1 104 104 ALA CA C 13 53.066 0.04 . 1 . . . . A 104 ALA CA . 30773 1 738 . 1 . 1 104 104 ALA CB C 13 19.130 0.05 . 1 . . . . A 104 ALA CB . 30773 1 739 . 1 . 1 104 104 ALA N N 15 126.685 0.03 . 1 . . . . A 104 ALA N . 30773 1 740 . 1 . 1 105 105 GLU H H 1 8.274 0.00 . 1 . . . . A 105 GLU H . 30773 1 741 . 1 . 1 105 105 GLU HA H 1 4.194 0.01 . 1 . . . . A 105 GLU HA . 30773 1 742 . 1 . 1 105 105 GLU HB2 H 1 1.992 0.00 . 2 . . . . A 105 GLU HB2 . 30773 1 743 . 1 . 1 105 105 GLU HG2 H 1 1.998 0.00 . 2 . . . . A 105 GLU HG2 . 30773 1 744 . 1 . 1 105 105 GLU C C 13 176.804 0.01 . 1 . . . . A 105 GLU C . 30773 1 745 . 1 . 1 105 105 GLU CA C 13 57.103 0.04 . 1 . . . . A 105 GLU CA . 30773 1 746 . 1 . 1 105 105 GLU CB C 13 30.085 0.09 . 1 . . . . A 105 GLU CB . 30773 1 747 . 1 . 1 105 105 GLU CG C 13 36.128 0.00 . 1 . . . . A 105 GLU CG . 30773 1 748 . 1 . 1 105 105 GLU N N 15 119.476 0.02 . 1 . . . . A 105 GLU N . 30773 1 749 . 1 . 1 106 106 GLN H H 1 8.259 0.00 . 1 . . . . A 106 GLN H . 30773 1 750 . 1 . 1 106 106 GLN HA H 1 4.277 0.00 . 1 . . . . A 106 GLN HA . 30773 1 751 . 1 . 1 106 106 GLN HB2 H 1 2.039 0.01 . 2 . . . . A 106 GLN HB2 . 30773 1 752 . 1 . 1 106 106 GLN HG2 H 1 2.375 0.01 . 2 . . . . A 106 GLN HG2 . 30773 1 753 . 1 . 1 106 106 GLN C C 13 176.062 0.01 . 1 . . . . A 106 GLN C . 30773 1 754 . 1 . 1 106 106 GLN CA C 13 56.126 0.09 . 1 . . . . A 106 GLN CA . 30773 1 755 . 1 . 1 106 106 GLN CB C 13 29.353 0.16 . 1 . . . . A 106 GLN CB . 30773 1 756 . 1 . 1 106 106 GLN CG C 13 33.962 0.00 . 1 . . . . A 106 GLN CG . 30773 1 757 . 1 . 1 106 106 GLN N N 15 120.455 0.04 . 1 . . . . A 106 GLN N . 30773 1 758 . 1 . 1 107 107 LEU H H 1 8.191 0.00 . 1 . . . . A 107 LEU H . 30773 1 759 . 1 . 1 107 107 LEU HA H 1 4.363 0.01 . 1 . . . . A 107 LEU HA . 30773 1 760 . 1 . 1 107 107 LEU HB2 H 1 1.559 0.01 . 1 . . . . A 107 LEU HB2 . 30773 1 761 . 1 . 1 107 107 LEU HB3 H 1 1.660 0.01 . 1 . . . . A 107 LEU HB3 . 30773 1 762 . 1 . 1 107 107 LEU HD11 H 1 0.874 0.00 . 2 . . . . A 107 LEU HD11 . 30773 1 763 . 1 . 1 107 107 LEU HD12 H 1 0.874 0.00 . 2 . . . . A 107 LEU HD12 . 30773 1 764 . 1 . 1 107 107 LEU HD13 H 1 0.874 0.00 . 2 . . . . A 107 LEU HD13 . 30773 1 765 . 1 . 1 107 107 LEU C C 13 177.435 0.01 . 1 . . . . A 107 LEU C . 30773 1 766 . 1 . 1 107 107 LEU CA C 13 55.330 0.09 . 1 . . . . A 107 LEU CA . 30773 1 767 . 1 . 1 107 107 LEU CB C 13 42.269 0.03 . 1 . . . . A 107 LEU CB . 30773 1 768 . 1 . 1 107 107 LEU CG C 13 26.995 0.00 . 1 . . . . A 107 LEU CG . 30773 1 769 . 1 . 1 107 107 LEU CD1 C 13 25.127 0.00 . 1 . . . . A 107 LEU CD1 . 30773 1 770 . 1 . 1 107 107 LEU CD2 C 13 23.358 0.00 . 1 . . . . A 107 LEU CD2 . 30773 1 771 . 1 . 1 107 107 LEU N N 15 122.844 0.03 . 1 . . . . A 107 LEU N . 30773 1 772 . 1 . 1 108 108 VAL H H 1 8.011 0.00 . 1 . . . . A 108 VAL H . 30773 1 773 . 1 . 1 108 108 VAL HA H 1 4.093 0.00 . 1 . . . . A 108 VAL HA . 30773 1 774 . 1 . 1 108 108 VAL HB H 1 2.087 0.01 . 1 . . . . A 108 VAL HB . 30773 1 775 . 1 . 1 108 108 VAL HG11 H 1 0.940 0.01 . 2 . . . . A 108 VAL HG11 . 30773 1 776 . 1 . 1 108 108 VAL HG12 H 1 0.940 0.01 . 2 . . . . A 108 VAL HG12 . 30773 1 777 . 1 . 1 108 108 VAL HG13 H 1 0.940 0.01 . 2 . . . . A 108 VAL HG13 . 30773 1 778 . 1 . 1 108 108 VAL C C 13 176.783 0.00 . 1 . . . . A 108 VAL C . 30773 1 779 . 1 . 1 108 108 VAL CA C 13 62.715 0.02 . 1 . . . . A 108 VAL CA . 30773 1 780 . 1 . 1 108 108 VAL CB C 13 32.755 0.00 . 1 . . . . A 108 VAL CB . 30773 1 781 . 1 . 1 108 108 VAL N N 15 120.455 0.02 . 1 . . . . A 108 VAL N . 30773 1 782 . 1 . 1 109 109 GLY H H 1 8.435 0.00 . 1 . . . . A 109 GLY H . 30773 1 783 . 1 . 1 109 109 GLY HA2 H 1 3.964 0.01 . 2 . . . . A 109 GLY HA2 . 30773 1 784 . 1 . 1 109 109 GLY C C 13 174.291 0.00 . 1 . . . . A 109 GLY C . 30773 1 785 . 1 . 1 109 109 GLY CA C 13 45.384 0.12 . 1 . . . . A 109 GLY CA . 30773 1 786 . 1 . 1 109 109 GLY N N 15 112.272 0.04 . 1 . . . . A 109 GLY N . 30773 1 787 . 1 . 1 110 110 VAL H H 1 7.959 0.00 . 1 . . . . A 110 VAL H . 30773 1 788 . 1 . 1 110 110 VAL HA H 1 4.143 0.00 . 1 . . . . A 110 VAL HA . 30773 1 789 . 1 . 1 110 110 VAL HB H 1 2.094 0.00 . 1 . . . . A 110 VAL HB . 30773 1 790 . 1 . 1 110 110 VAL HG11 H 1 0.933 0.00 . 2 . . . . A 110 VAL HG11 . 30773 1 791 . 1 . 1 110 110 VAL HG12 H 1 0.933 0.00 . 2 . . . . A 110 VAL HG12 . 30773 1 792 . 1 . 1 110 110 VAL HG13 H 1 0.933 0.00 . 2 . . . . A 110 VAL HG13 . 30773 1 793 . 1 . 1 110 110 VAL C C 13 176.500 0.01 . 1 . . . . A 110 VAL C . 30773 1 794 . 1 . 1 110 110 VAL CA C 13 62.505 0.04 . 1 . . . . A 110 VAL CA . 30773 1 795 . 1 . 1 110 110 VAL CB C 13 32.914 0.20 . 1 . . . . A 110 VAL CB . 30773 1 796 . 1 . 1 110 110 VAL CG2 C 13 20.916 0.00 . 2 . . . . A 110 VAL CG2 . 30773 1 797 . 1 . 1 110 110 VAL N N 15 119.228 0.03 . 1 . . . . A 110 VAL N . 30773 1 798 . 1 . 1 111 111 SER H H 1 8.429 0.00 . 1 . . . . A 111 SER H . 30773 1 799 . 1 . 1 111 111 SER HA H 1 4.449 0.00 . 1 . . . . A 111 SER HA . 30773 1 800 . 1 . 1 111 111 SER HB2 H 1 3.903 0.01 . 2 . . . . A 111 SER HB2 . 30773 1 801 . 1 . 1 111 111 SER C C 13 174.628 0.01 . 1 . . . . A 111 SER C . 30773 1 802 . 1 . 1 111 111 SER CA C 13 58.427 0.05 . 1 . . . . A 111 SER CA . 30773 1 803 . 1 . 1 111 111 SER CB C 13 63.958 0.02 . 1 . . . . A 111 SER CB . 30773 1 804 . 1 . 1 111 111 SER N N 15 119.344 0.02 . 1 . . . . A 111 SER N . 30773 1 805 . 1 . 1 112 112 ALA H H 1 8.401 0.00 . 1 . . . . A 112 ALA H . 30773 1 806 . 1 . 1 112 112 ALA HA H 1 4.279 0.01 . 1 . . . . A 112 ALA HA . 30773 1 807 . 1 . 1 112 112 ALA HB1 H 1 1.401 0.00 . 1 . . . . A 112 ALA HB1 . 30773 1 808 . 1 . 1 112 112 ALA HB2 H 1 1.401 0.00 . 1 . . . . A 112 ALA HB2 . 30773 1 809 . 1 . 1 112 112 ALA HB3 H 1 1.401 0.00 . 1 . . . . A 112 ALA HB3 . 30773 1 810 . 1 . 1 112 112 ALA C C 13 178.126 0.01 . 1 . . . . A 112 ALA C . 30773 1 811 . 1 . 1 112 112 ALA CA C 13 53.108 0.02 . 1 . . . . A 112 ALA CA . 30773 1 812 . 1 . 1 112 112 ALA CB C 13 19.026 0.05 . 1 . . . . A 112 ALA CB . 30773 1 813 . 1 . 1 112 112 ALA N N 15 126.202 0.03 . 1 . . . . A 112 ALA N . 30773 1 814 . 1 . 1 113 113 ALA H H 1 8.256 0.00 . 1 . . . . A 113 ALA H . 30773 1 815 . 1 . 1 113 113 ALA HA H 1 4.275 0.00 . 1 . . . . A 113 ALA HA . 30773 1 816 . 1 . 1 113 113 ALA HB1 H 1 1.400 0.00 . 1 . . . . A 113 ALA HB1 . 30773 1 817 . 1 . 1 113 113 ALA HB2 H 1 1.400 0.00 . 1 . . . . A 113 ALA HB2 . 30773 1 818 . 1 . 1 113 113 ALA HB3 H 1 1.400 0.00 . 1 . . . . A 113 ALA HB3 . 30773 1 819 . 1 . 1 113 113 ALA C C 13 178.447 0.00 . 1 . . . . A 113 ALA C . 30773 1 820 . 1 . 1 113 113 ALA CA C 13 53.124 0.02 . 1 . . . . A 113 ALA CA . 30773 1 821 . 1 . 1 113 113 ALA CB C 13 19.002 0.04 . 1 . . . . A 113 ALA CB . 30773 1 822 . 1 . 1 113 113 ALA N N 15 122.485 0.02 . 1 . . . . A 113 ALA N . 30773 1 823 . 1 . 1 114 114 SER H H 1 8.136 0.00 . 1 . . . . A 114 SER H . 30773 1 824 . 1 . 1 114 114 SER HA H 1 4.376 0.01 . 1 . . . . A 114 SER HA . 30773 1 825 . 1 . 1 114 114 SER HB2 H 1 3.907 0.01 . 2 . . . . A 114 SER HB2 . 30773 1 826 . 1 . 1 114 114 SER C C 13 174.951 0.00 . 1 . . . . A 114 SER C . 30773 1 827 . 1 . 1 114 114 SER CA C 13 58.823 0.04 . 1 . . . . A 114 SER CA . 30773 1 828 . 1 . 1 114 114 SER CB C 13 63.724 0.03 . 1 . . . . A 114 SER CB . 30773 1 829 . 1 . 1 114 114 SER N N 15 114.689 0.03 . 1 . . . . A 114 SER N . 30773 1 830 . 1 . 1 115 115 ALA H H 1 8.246 0.00 . 1 . . . . A 115 ALA H . 30773 1 831 . 1 . 1 115 115 ALA HA H 1 4.275 0.01 . 1 . . . . A 115 ALA HA . 30773 1 832 . 1 . 1 115 115 ALA HB1 H 1 1.407 0.00 . 1 . . . . A 115 ALA HB1 . 30773 1 833 . 1 . 1 115 115 ALA HB2 H 1 1.407 0.00 . 1 . . . . A 115 ALA HB2 . 30773 1 834 . 1 . 1 115 115 ALA HB3 H 1 1.407 0.00 . 1 . . . . A 115 ALA HB3 . 30773 1 835 . 1 . 1 115 115 ALA C C 13 178.081 0.02 . 1 . . . . A 115 ALA C . 30773 1 836 . 1 . 1 115 115 ALA CA C 13 53.082 0.03 . 1 . . . . A 115 ALA CA . 30773 1 837 . 1 . 1 115 115 ALA CB C 13 19.019 0.04 . 1 . . . . A 115 ALA CB . 30773 1 838 . 1 . 1 115 115 ALA N N 15 125.870 0.04 . 1 . . . . A 115 ALA N . 30773 1 839 . 1 . 1 116 116 ALA H H 1 8.118 0.00 . 1 . . . . A 116 ALA H . 30773 1 840 . 1 . 1 116 116 ALA HA H 1 4.251 0.00 . 1 . . . . A 116 ALA HA . 30773 1 841 . 1 . 1 116 116 ALA HB1 H 1 1.405 0.00 . 1 . . . . A 116 ALA HB1 . 30773 1 842 . 1 . 1 116 116 ALA HB2 H 1 1.405 0.00 . 1 . . . . A 116 ALA HB2 . 30773 1 843 . 1 . 1 116 116 ALA HB3 H 1 1.405 0.00 . 1 . . . . A 116 ALA HB3 . 30773 1 844 . 1 . 1 116 116 ALA C C 13 178.056 0.00 . 1 . . . . A 116 ALA C . 30773 1 845 . 1 . 1 116 116 ALA CA C 13 52.995 0.03 . 1 . . . . A 116 ALA CA . 30773 1 846 . 1 . 1 116 116 ALA CB C 13 19.016 0.04 . 1 . . . . A 116 ALA CB . 30773 1 847 . 1 . 1 116 116 ALA N N 15 122.370 0.02 . 1 . . . . A 116 ALA N . 30773 1 848 . 1 . 1 117 117 ALA H H 1 8.099 0.00 . 1 . . . . A 117 ALA H . 30773 1 849 . 1 . 1 117 117 ALA HA H 1 4.271 0.00 . 1 . . . . A 117 ALA HA . 30773 1 850 . 1 . 1 117 117 ALA HB1 H 1 1.415 0.01 . 1 . . . . A 117 ALA HB1 . 30773 1 851 . 1 . 1 117 117 ALA HB2 H 1 1.415 0.01 . 1 . . . . A 117 ALA HB2 . 30773 1 852 . 1 . 1 117 117 ALA HB3 H 1 1.415 0.01 . 1 . . . . A 117 ALA HB3 . 30773 1 853 . 1 . 1 117 117 ALA C C 13 178.250 0.01 . 1 . . . . A 117 ALA C . 30773 1 854 . 1 . 1 117 117 ALA CA C 13 53.010 0.02 . 1 . . . . A 117 ALA CA . 30773 1 855 . 1 . 1 117 117 ALA CB C 13 19.064 0.05 . 1 . . . . A 117 ALA CB . 30773 1 856 . 1 . 1 117 117 ALA N N 15 122.315 0.03 . 1 . . . . A 117 ALA N . 30773 1 857 . 1 . 1 118 118 SER H H 1 8.090 0.00 . 1 . . . . A 118 SER H . 30773 1 858 . 1 . 1 118 118 SER HA H 1 4.377 0.00 . 1 . . . . A 118 SER HA . 30773 1 859 . 1 . 1 118 118 SER HB2 H 1 3.860 0.01 . 2 . . . . A 118 SER HB2 . 30773 1 860 . 1 . 1 118 118 SER C C 13 174.621 0.01 . 1 . . . . A 118 SER C . 30773 1 861 . 1 . 1 118 118 SER CA C 13 58.586 0.03 . 1 . . . . A 118 SER CA . 30773 1 862 . 1 . 1 118 118 SER CB C 13 63.858 0.04 . 1 . . . . A 118 SER CB . 30773 1 863 . 1 . 1 118 118 SER N N 15 114.180 0.03 . 1 . . . . A 118 SER N . 30773 1 864 . 1 . 1 119 119 ALA H H 1 8.149 0.00 . 1 . . . . A 119 ALA H . 30773 1 865 . 1 . 1 119 119 ALA HA H 1 4.257 0.00 . 1 . . . . A 119 ALA HA . 30773 1 866 . 1 . 1 119 119 ALA HB1 H 1 1.267 0.00 . 1 . . . . A 119 ALA HB1 . 30773 1 867 . 1 . 1 119 119 ALA HB2 H 1 1.267 0.00 . 1 . . . . A 119 ALA HB2 . 30773 1 868 . 1 . 1 119 119 ALA HB3 H 1 1.267 0.00 . 1 . . . . A 119 ALA HB3 . 30773 1 869 . 1 . 1 119 119 ALA C C 13 177.725 0.02 . 1 . . . . A 119 ALA C . 30773 1 870 . 1 . 1 119 119 ALA CA C 13 52.869 0.03 . 1 . . . . A 119 ALA CA . 30773 1 871 . 1 . 1 119 119 ALA CB C 13 19.067 0.05 . 1 . . . . A 119 ALA CB . 30773 1 872 . 1 . 1 119 119 ALA N N 15 125.441 0.03 . 1 . . . . A 119 ALA N . 30773 1 873 . 1 . 1 120 120 PHE H H 1 8.112 0.00 . 1 . . . . A 120 PHE H . 30773 1 874 . 1 . 1 120 120 PHE HA H 1 4.575 0.01 . 1 . . . . A 120 PHE HA . 30773 1 875 . 1 . 1 120 120 PHE HB2 H 1 3.031 0.00 . 1 . . . . A 120 PHE HB2 . 30773 1 876 . 1 . 1 120 120 PHE HB3 H 1 3.189 0.00 . 1 . . . . A 120 PHE HB3 . 30773 1 877 . 1 . 1 120 120 PHE C C 13 176.605 0.01 . 1 . . . . A 120 PHE C . 30773 1 878 . 1 . 1 120 120 PHE CA C 13 58.144 0.06 . 1 . . . . A 120 PHE CA . 30773 1 879 . 1 . 1 120 120 PHE CB C 13 39.413 0.06 . 1 . . . . A 120 PHE CB . 30773 1 880 . 1 . 1 120 120 PHE N N 15 118.622 0.02 . 1 . . . . A 120 PHE N . 30773 1 881 . 1 . 1 121 121 GLY H H 1 8.226 0.00 . 1 . . . . A 121 GLY H . 30773 1 882 . 1 . 1 121 121 GLY HA2 H 1 3.913 0.01 . 2 . . . . A 121 GLY HA2 . 30773 1 883 . 1 . 1 121 121 GLY C C 13 174.319 0.01 . 1 . . . . A 121 GLY C . 30773 1 884 . 1 . 1 121 121 GLY CA C 13 45.561 0.08 . 1 . . . . A 121 GLY CA . 30773 1 885 . 1 . 1 121 121 GLY N N 15 110.140 0.04 . 1 . . . . A 121 GLY N . 30773 1 886 . 1 . 1 122 122 SER H H 1 8.155 0.00 . 1 . . . . A 122 SER H . 30773 1 887 . 1 . 1 122 122 SER HA H 1 4.446 0.00 . 1 . . . . A 122 SER HA . 30773 1 888 . 1 . 1 122 122 SER HB2 H 1 3.891 0.00 . 2 . . . . A 122 SER HB2 . 30773 1 889 . 1 . 1 122 122 SER C C 13 174.867 0.01 . 1 . . . . A 122 SER C . 30773 1 890 . 1 . 1 122 122 SER CA C 13 58.576 0.02 . 1 . . . . A 122 SER CA . 30773 1 891 . 1 . 1 122 122 SER CB C 13 63.916 0.02 . 1 . . . . A 122 SER CB . 30773 1 892 . 1 . 1 122 122 SER N N 15 115.620 0.03 . 1 . . . . A 122 SER N . 30773 1 893 . 1 . 1 123 123 LEU H H 1 8.306 0.00 . 1 . . . . A 123 LEU H . 30773 1 894 . 1 . 1 123 123 LEU HA H 1 4.403 0.00 . 1 . . . . A 123 LEU HA . 30773 1 895 . 1 . 1 123 123 LEU HB2 H 1 1.647 0.01 . 2 . . . . A 123 LEU HB2 . 30773 1 896 . 1 . 1 123 123 LEU HD11 H 1 0.887 0.00 . 2 . . . . A 123 LEU HD11 . 30773 1 897 . 1 . 1 123 123 LEU HD12 H 1 0.887 0.00 . 2 . . . . A 123 LEU HD12 . 30773 1 898 . 1 . 1 123 123 LEU HD13 H 1 0.887 0.00 . 2 . . . . A 123 LEU HD13 . 30773 1 899 . 1 . 1 123 123 LEU C C 13 177.765 0.03 . 1 . . . . A 123 LEU C . 30773 1 900 . 1 . 1 123 123 LEU CA C 13 55.574 0.05 . 1 . . . . A 123 LEU CA . 30773 1 901 . 1 . 1 123 123 LEU CB C 13 42.253 0.02 . 1 . . . . A 123 LEU CB . 30773 1 902 . 1 . 1 123 123 LEU CG C 13 27.034 0.00 . 1 . . . . A 123 LEU CG . 30773 1 903 . 1 . 1 123 123 LEU CD1 C 13 25.069 0.00 . 1 . . . . A 123 LEU CD1 . 30773 1 904 . 1 . 1 123 123 LEU CD2 C 13 23.506 0.00 . 1 . . . . A 123 LEU CD2 . 30773 1 905 . 1 . 1 123 123 LEU N N 15 123.814 0.04 . 1 . . . . A 123 LEU N . 30773 1 906 . 1 . 1 124 124 SER H H 1 8.239 0.00 . 1 . . . . A 124 SER H . 30773 1 907 . 1 . 1 124 124 SER HA H 1 4.400 0.01 . 1 . . . . A 124 SER HA . 30773 1 908 . 1 . 1 124 124 SER HB2 H 1 3.879 0.01 . 2 . . . . A 124 SER HB2 . 30773 1 909 . 1 . 1 124 124 SER C C 13 175.063 0.00 . 1 . . . . A 124 SER C . 30773 1 910 . 1 . 1 124 124 SER CA C 13 58.774 0.06 . 1 . . . . A 124 SER CA . 30773 1 911 . 1 . 1 124 124 SER CB C 13 63.687 0.04 . 1 . . . . A 124 SER CB . 30773 1 912 . 1 . 1 124 124 SER N N 15 115.895 0.05 . 1 . . . . A 124 SER N . 30773 1 913 . 1 . 1 125 125 SER H H 1 8.236 0.00 . 1 . . . . A 125 SER H . 30773 1 914 . 1 . 1 125 125 SER HA H 1 4.385 0.00 . 1 . . . . A 125 SER HA . 30773 1 915 . 1 . 1 125 125 SER HB2 H 1 3.892 0.01 . 2 . . . . A 125 SER HB2 . 30773 1 916 . 1 . 1 125 125 SER C C 13 174.694 0.00 . 1 . . . . A 125 SER C . 30773 1 917 . 1 . 1 125 125 SER CA C 13 58.896 0.04 . 1 . . . . A 125 SER CA . 30773 1 918 . 1 . 1 125 125 SER CB C 13 63.645 0.03 . 1 . . . . A 125 SER CB . 30773 1 919 . 1 . 1 125 125 SER N N 15 117.709 0.03 . 1 . . . . A 125 SER N . 30773 1 920 . 1 . 1 126 126 ALA H H 1 8.177 0.00 . 1 . . . . A 126 ALA H . 30773 1 921 . 1 . 1 126 126 ALA HA H 1 4.274 0.00 . 1 . . . . A 126 ALA HA . 30773 1 922 . 1 . 1 126 126 ALA HB1 H 1 1.381 0.01 . 1 . . . . A 126 ALA HB1 . 30773 1 923 . 1 . 1 126 126 ALA HB2 H 1 1.381 0.01 . 1 . . . . A 126 ALA HB2 . 30773 1 924 . 1 . 1 126 126 ALA HB3 H 1 1.381 0.01 . 1 . . . . A 126 ALA HB3 . 30773 1 925 . 1 . 1 126 126 ALA C C 13 177.816 0.01 . 1 . . . . A 126 ALA C . 30773 1 926 . 1 . 1 126 126 ALA CA C 13 53.050 0.03 . 1 . . . . A 126 ALA CA . 30773 1 927 . 1 . 1 126 126 ALA CB C 13 19.095 0.05 . 1 . . . . A 126 ALA CB . 30773 1 928 . 1 . 1 126 126 ALA N N 15 125.420 0.03 . 1 . . . . A 126 ALA N . 30773 1 929 . 1 . 1 127 127 LEU H H 1 7.938 0.00 . 1 . . . . A 127 LEU H . 30773 1 930 . 1 . 1 127 127 LEU HA H 1 4.278 0.00 . 1 . . . . A 127 LEU HA . 30773 1 931 . 1 . 1 127 127 LEU HB2 H 1 1.605 0.01 . 2 . . . . A 127 LEU HB2 . 30773 1 932 . 1 . 1 127 127 LEU HD11 H 1 0.894 0.00 . 2 . . . . A 127 LEU HD11 . 30773 1 933 . 1 . 1 127 127 LEU HD12 H 1 0.894 0.00 . 2 . . . . A 127 LEU HD12 . 30773 1 934 . 1 . 1 127 127 LEU HD13 H 1 0.894 0.00 . 2 . . . . A 127 LEU HD13 . 30773 1 935 . 1 . 1 127 127 LEU C C 13 177.128 0.01 . 1 . . . . A 127 LEU C . 30773 1 936 . 1 . 1 127 127 LEU CA C 13 55.299 0.06 . 1 . . . . A 127 LEU CA . 30773 1 937 . 1 . 1 127 127 LEU CB C 13 42.284 0.03 . 1 . . . . A 127 LEU CB . 30773 1 938 . 1 . 1 127 127 LEU CG C 13 27.098 0.00 . 1 . . . . A 127 LEU CG . 30773 1 939 . 1 . 1 127 127 LEU CD1 C 13 25.022 0.00 . 1 . . . . A 127 LEU CD1 . 30773 1 940 . 1 . 1 127 127 LEU CD2 C 13 23.568 0.00 . 1 . . . . A 127 LEU CD2 . 30773 1 941 . 1 . 1 127 127 LEU N N 15 119.726 0.02 . 1 . . . . A 127 LEU N . 30773 1 942 . 1 . 1 128 128 LEU H H 1 7.952 0.00 . 1 . . . . A 128 LEU H . 30773 1 943 . 1 . 1 128 128 LEU HA H 1 4.296 0.02 . 1 . . . . A 128 LEU HA . 30773 1 944 . 1 . 1 128 128 LEU HB2 H 1 1.595 0.01 . 2 . . . . A 128 LEU HB2 . 30773 1 945 . 1 . 1 128 128 LEU HD11 H 1 0.875 0.00 . 2 . . . . A 128 LEU HD11 . 30773 1 946 . 1 . 1 128 128 LEU HD12 H 1 0.875 0.00 . 2 . . . . A 128 LEU HD12 . 30773 1 947 . 1 . 1 128 128 LEU HD13 H 1 0.875 0.00 . 2 . . . . A 128 LEU HD13 . 30773 1 948 . 1 . 1 128 128 LEU C C 13 176.855 0.01 . 1 . . . . A 128 LEU C . 30773 1 949 . 1 . 1 128 128 LEU CA C 13 54.874 0.02 . 1 . . . . A 128 LEU CA . 30773 1 950 . 1 . 1 128 128 LEU CB C 13 42.315 0.05 . 1 . . . . A 128 LEU CB . 30773 1 951 . 1 . 1 128 128 LEU CG C 13 27.045 0.00 . 1 . . . . A 128 LEU CG . 30773 1 952 . 1 . 1 128 128 LEU CD1 C 13 25.054 0.00 . 1 . . . . A 128 LEU CD1 . 30773 1 953 . 1 . 1 128 128 LEU CD2 C 13 23.521 0.00 . 1 . . . . A 128 LEU CD2 . 30773 1 954 . 1 . 1 128 128 LEU N N 15 122.011 0.03 . 1 . . . . A 128 LEU N . 30773 1 955 . 1 . 1 129 129 MET H H 1 8.157 0.00 . 1 . . . . A 129 MET H . 30773 1 956 . 1 . 1 129 129 MET C C 13 174.081 0.00 . 1 . . . . A 129 MET C . 30773 1 957 . 1 . 1 129 129 MET CA C 13 53.209 0.04 . 1 . . . . A 129 MET CA . 30773 1 958 . 1 . 1 129 129 MET CB C 13 31.633 0.00 . 1 . . . . A 129 MET CB . 30773 1 959 . 1 . 1 129 129 MET N N 15 122.126 0.05 . 1 . . . . A 129 MET N . 30773 1 960 . 1 . 1 130 130 PRO HA H 1 4.410 0.01 . 1 . . . . A 130 PRO HA . 30773 1 961 . 1 . 1 130 130 PRO HB2 H 1 1.920 0.02 . 1 . . . . A 130 PRO HB2 . 30773 1 962 . 1 . 1 130 130 PRO HB3 H 1 2.291 0.01 . 1 . . . . A 130 PRO HB3 . 30773 1 963 . 1 . 1 130 130 PRO C C 13 177.220 0.01 . 1 . . . . A 130 PRO C . 30773 1 964 . 1 . 1 130 130 PRO CA C 13 63.157 0.07 . 1 . . . . A 130 PRO CA . 30773 1 965 . 1 . 1 130 130 PRO CB C 13 32.229 0.02 . 1 . . . . A 130 PRO CB . 30773 1 966 . 1 . 1 130 130 PRO CG C 13 27.537 0.00 . 1 . . . . A 130 PRO CG . 30773 1 967 . 1 . 1 130 130 PRO CD C 13 50.717 0.00 . 1 . . . . A 130 PRO CD . 30773 1 968 . 1 . 1 131 131 LYS H H 1 8.512 0.00 . 1 . . . . A 131 LYS H . 30773 1 969 . 1 . 1 131 131 LYS HA H 1 4.272 0.01 . 1 . . . . A 131 LYS HA . 30773 1 970 . 1 . 1 131 131 LYS HB2 H 1 1.800 0.02 . 2 . . . . A 131 LYS HB2 . 30773 1 971 . 1 . 1 131 131 LYS HG2 H 1 1.424 0.00 . 2 . . . . A 131 LYS HG2 . 30773 1 972 . 1 . 1 131 131 LYS C C 13 176.660 0.00 . 1 . . . . A 131 LYS C . 30773 1 973 . 1 . 1 131 131 LYS CA C 13 56.662 0.11 . 1 . . . . A 131 LYS CA . 30773 1 974 . 1 . 1 131 131 LYS CB C 13 32.790 0.13 . 1 . . . . A 131 LYS CB . 30773 1 975 . 1 . 1 131 131 LYS CG C 13 24.737 0.00 . 1 . . . . A 131 LYS CG . 30773 1 976 . 1 . 1 131 131 LYS CD C 13 29.224 0.00 . 1 . . . . A 131 LYS CD . 30773 1 977 . 1 . 1 131 131 LYS N N 15 121.839 0.02 . 1 . . . . A 131 LYS N . 30773 1 978 . 1 . 1 132 132 ASP H H 1 8.308 0.00 . 1 . . . . A 132 ASP H . 30773 1 979 . 1 . 1 132 132 ASP HA H 1 4.595 0.00 . 1 . . . . A 132 ASP HA . 30773 1 980 . 1 . 1 132 132 ASP HB2 H 1 2.712 0.00 . 2 . . . . A 132 ASP HB2 . 30773 1 981 . 1 . 1 132 132 ASP C C 13 176.762 0.01 . 1 . . . . A 132 ASP C . 30773 1 982 . 1 . 1 132 132 ASP CA C 13 54.347 0.02 . 1 . . . . A 132 ASP CA . 30773 1 983 . 1 . 1 132 132 ASP CB C 13 41.203 0.07 . 1 . . . . A 132 ASP CB . 30773 1 984 . 1 . 1 132 132 ASP N N 15 120.346 0.05 . 1 . . . . A 132 ASP N . 30773 1 985 . 1 . 1 133 133 GLY H H 1 8.324 0.00 . 1 . . . . A 133 GLY H . 30773 1 986 . 1 . 1 133 133 GLY HA2 H 1 3.938 0.01 . 2 . . . . A 133 GLY HA2 . 30773 1 987 . 1 . 1 133 133 GLY C C 13 174.342 0.01 . 1 . . . . A 133 GLY C . 30773 1 988 . 1 . 1 133 133 GLY CA C 13 45.680 0.07 . 1 . . . . A 133 GLY CA . 30773 1 989 . 1 . 1 133 133 GLY N N 15 108.849 0.04 . 1 . . . . A 133 GLY N . 30773 1 990 . 1 . 1 134 134 LEU H H 1 8.078 0.00 . 1 . . . . A 134 LEU H . 30773 1 991 . 1 . 1 134 134 LEU HA H 1 4.279 0.01 . 1 . . . . A 134 LEU HA . 30773 1 992 . 1 . 1 134 134 LEU HB2 H 1 1.564 0.01 . 2 . . . . A 134 LEU HB2 . 30773 1 993 . 1 . 1 134 134 LEU HD11 H 1 0.856 0.00 . 2 . . . . A 134 LEU HD11 . 30773 1 994 . 1 . 1 134 134 LEU HD12 H 1 0.856 0.00 . 2 . . . . A 134 LEU HD12 . 30773 1 995 . 1 . 1 134 134 LEU HD13 H 1 0.856 0.00 . 2 . . . . A 134 LEU HD13 . 30773 1 996 . 1 . 1 134 134 LEU C C 13 177.385 0.00 . 1 . . . . A 134 LEU C . 30773 1 997 . 1 . 1 134 134 LEU CA C 13 55.191 0.09 . 1 . . . . A 134 LEU CA . 30773 1 998 . 1 . 1 134 134 LEU CB C 13 42.312 0.06 . 1 . . . . A 134 LEU CB . 30773 1 999 . 1 . 1 134 134 LEU CG C 13 27.026 0.00 . 1 . . . . A 134 LEU CG . 30773 1 1000 . 1 . 1 134 134 LEU CD1 C 13 25.067 0.00 . 1 . . . . A 134 LEU CD1 . 30773 1 1001 . 1 . 1 134 134 LEU CD2 C 13 23.181 0.00 . 1 . . . . A 134 LEU CD2 . 30773 1 1002 . 1 . 1 134 134 LEU N N 15 121.106 0.06 . 1 . . . . A 134 LEU N . 30773 1 1003 . 1 . 1 135 135 GLU H H 1 8.345 0.00 . 1 . . . . A 135 GLU H . 30773 1 1004 . 1 . 1 135 135 GLU C C 13 176.113 0.00 . 1 . . . . A 135 GLU C . 30773 1 1005 . 1 . 1 135 135 GLU CA C 13 56.611 0.01 . 1 . . . . A 135 GLU CA . 30773 1 1006 . 1 . 1 135 135 GLU CB C 13 29.988 0.00 . 1 . . . . A 135 GLU CB . 30773 1 1007 . 1 . 1 135 135 GLU N N 15 120.468 0.07 . 1 . . . . A 135 GLU N . 30773 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 30773 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 12 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Data Height ?-?-? 2.260 124.666 8.407 51401204 ?-?-? 2.101 120.428 8.257 52646188 ?-?-? 0.875 124.057 8.404 30677242 ?-?-? 1.394 125.213 8.517 37849116 ?-?-? 4.702 125.204 8.518 37281084 ?-?-? 1.806 121.679 8.097 55446076 ?-?-? 1.573 121.582 7.801 58448392 ?-?-? 8.208 121.172 8.208 9221026816 ?-?-? 4.289 121.405 8.331 569941888 ?-?-? 4.804 121.806 8.516 68325392 ?-?-? 2.270 122.363 8.421 44429152 ?-?-? 4.798 120.436 8.311 53134772 ?-?-? 2.352 122.438 8.428 57913036 ?-?-? 0.883 123.912 8.292 54542992 ?-?-? 3.158 123.879 8.286 39860068 ?-?-? 4.788 116.912 8.376 44906396 ?-?-? 4.820 116.928 8.376 38081664 ?-?-? 2.366 121.930 8.362 29636636 ?-?-? 4.810 121.867 8.362 43322000 ?-?-? 4.775 121.884 8.362 25982426 ?-?-? 2.937 123.866 8.289 84532992 ?-?-? 1.706 119.995 8.096 26374152 ?-?-? 3.830 123.732 8.357 43651136 ?-?-? 2.319 123.625 8.354 40607732 ?-?-? 2.291 123.676 8.356 31758030 ?-?-? 2.021 113.468 8.366 49273644 ?-?-? 8.006 119.462 8.565 69200760 ?-?-? 2.070 119.462 8.563 59568128 ?-?-? 2.310 121.149 8.025 53624948 ?-?-? 2.166 122.450 8.230 41006104 ?-?-? 1.145 122.442 8.230 50162592 ?-?-? 0.898 122.421 8.230 37992224 ?-?-? 0.821 122.427 8.230 30887190 ?-?-? 1.531 121.801 7.991 44256264 ?-?-? 0.890 121.774 7.986 25723710 ?-?-? 3.884 113.786 7.953 25928780 ?-?-? 4.167 121.566 7.799 28498750 ?-?-? 1.217 121.549 7.801 35257160 ?-?-? 0.899 121.553 7.799 32079912 ?-?-? 8.097 123.164 8.097 896011648 ?-?-? 2.044 116.792 8.306 40979520 ?-?-? 4.795 119.343 8.426 70665640 ?-?-? 1.944 120.826 8.569 98378976 ?-?-? 4.228 120.840 8.568 58212408 ?-?-? 3.925 119.340 8.429 42397988 ?-?-? 2.014 122.736 8.475 54631064 ?-?-? 2.041 122.718 8.474 49993408 ?-?-? 2.116 119.338 8.429 26033676 ?-?-? 2.252 122.699 8.474 32269820 ?-?-? 4.596 120.450 8.275 64006848 ?-?-? 2.707 120.397 8.151 48436500 ?-?-? 2.672 120.390 8.152 49658188 ?-?-? 2.683 125.173 8.083 42701424 ?-?-? 2.603 125.195 8.084 37556284 ?-?-? 4.297 124.701 8.406 111241136 ?-?-? 4.267 124.698 8.404 72531120 ?-?-? 2.293 124.687 8.407 52406576 ?-?-? 1.819 129.852 8.321 29991376 ?-?-? 4.579 121.417 8.330 63113056 ?-?-? 2.025 121.333 8.332 50896936 ?-?-? 1.872 121.387 8.331 96217184 ?-?-? 1.359 121.338 8.331 50520600 ?-?-? 1.385 121.388 8.330 32948312 ?-?-? 2.280 122.709 8.475 40812600 ?-?-? 2.035 120.198 8.344 43545560 ?-?-? 1.918 120.162 8.344 80777328 ?-?-? 1.875 120.438 8.344 67087296 ?-?-? 1.845 120.415 8.346 50798440 ?-?-? 1.373 120.169 8.346 59800688 ?-?-? 2.046 125.594 8.280 37889572 ?-?-? 2.015 125.627 8.280 29920686 ?-?-? 4.586 124.852 8.219 77856880 ?-?-? 2.361 122.728 8.475 53003244 ?-?-? 4.570 120.528 8.199 228428496 ?-?-? 2.990 121.077 7.966 23491264 ?-?-? 4.063 120.434 8.204 57620632 ?-?-? 2.681 120.494 8.200 51837964 ?-?-? 2.634 120.579 8.198 74106048 ?-?-? 2.605 120.551 8.201 58536456 ?-?-? 1.889 120.443 8.200 26147548 ?-?-? 3.625 121.095 7.965 58380556 ?-?-? 3.776 121.092 7.965 24843674 ?-?-? 4.538 124.589 8.321 42491588 ?-?-? 4.165 119.410 8.274 108260568 ?-?-? 2.320 119.459 8.275 36439832 ?-?-? 2.280 119.424 8.275 39102808 ?-?-? 2.039 119.436 8.275 66232960 ?-?-? 4.058 120.069 7.951 35913552 ?-?-? 1.966 119.406 8.274 167281792 ?-?-? 1.381 119.472 8.275 80117072 ?-?-? 1.390 124.319 8.410 70590200 ?-?-? 4.689 122.855 8.398 37082096 ?-?-? 3.746 122.886 8.399 21911700 ?-?-? 4.612 121.690 8.313 85120584 ?-?-? 4.579 121.634 8.314 59046720 ?-?-? 2.680 121.602 8.312 33254084 ?-?-? 4.270 124.413 8.408 61496236 ?-?-? 3.032 120.559 8.190 87592336 ?-?-? 0.854 120.129 8.063 30305640 ?-?-? 4.193 120.138 8.064 64425088 ?-?-? 2.721 120.644 8.242 38303920 ?-?-? 3.987 120.648 8.243 188975680 ?-?-? 4.644 120.643 8.241 43324216 ?-?-? 4.238 120.989 8.256 65473984 ?-?-? 4.833 112.369 8.427 32791202 ?-?-? 8.251 120.727 8.251 11522327552 ?-?-? 4.799 112.282 8.428 47080120 ?-?-? 1.613 115.863 8.239 35309464 ?-?-? 1.935 122.095 8.158 50236996 ?-?-? 3.931 115.887 8.238 34345448 ?-?-? 3.819 115.837 8.238 32340420 ?-?-? 1.596 126.403 8.259 63934200 ?-?-? 3.853 115.867 8.238 40878728 ?-?-? 4.799 115.843 8.239 77582920 ?-?-? 4.829 120.275 8.343 28140024 ?-?-? 4.793 120.294 8.343 41830664 ?-?-? 4.334 115.076 8.123 61250488 ?-?-? 4.298 114.995 8.124 41295656 ?-?-? 8.343 120.256 8.343 9496281088 ?-?-? 4.142 115.096 8.124 29527840 ?-?-? 1.582 115.091 8.121 31017240 ?-?-? 1.555 121.763 8.451 32542708 ?-?-? 2.030 121.739 8.452 44302424 ?-?-? 2.708 124.229 8.305 57096456 ?-?-? 4.867 124.088 8.302 70435360 ?-?-? 1.571 122.496 8.307 54769672 ?-?-? 1.886 122.528 8.306 28746530 ?-?-? 4.495 121.220 8.210 122345368 ?-?-? 1.902 125.385 8.329 29170720 ?-?-? 1.990 125.383 8.332 24429818 ?-?-? 2.015 125.448 8.327 28031282 ?-?-? 4.656 125.394 8.330 31659754 ?-?-? 1.750 121.296 8.205 90707344 ?-?-? 1.984 121.420 8.438 41258744 ?-?-? 1.589 121.266 8.205 56265336 ?-?-? 1.504 121.179 8.207 22689404 ?-?-? 2.010 121.390 8.439 61113212 ?-?-? 2.255 121.489 8.443 33370180 ?-?-? 0.877 129.880 8.321 40869104 ?-?-? 4.260 126.657 8.211 81745440 ?-?-? 0.916 122.751 8.098 29181322 ?-?-? 1.708 122.757 8.098 48362468 ?-?-? 1.844 122.739 8.098 76733480 ?-?-? 6.834 126.517 6.836 305480384 ?-?-? 7.536 126.444 7.537 162265888 ?-?-? 7.556 126.269 7.557 289604640 ?-?-? 4.803 126.205 8.400 81096816 ?-?-? 4.804 125.878 8.245 70216904 ?-?-? 3.576 125.909 3.564 143808976 ?-?-? 1.662 125.382 8.329 72506960 ?-?-? 4.276 125.478 8.150 57000512 ?-?-? 4.803 110.558 7.243 73331376 ?-?-? 4.806 110.845 7.299 38810860 ?-?-? 4.794 125.451 8.149 80889184 ?-?-? 7.243 110.576 7.242 570882816 ?-?-? 7.257 110.603 7.256 514173440 ?-?-? 6.842 112.731 6.843 9380609024 ?-?-? 6.835 112.344 7.536 3440394496 ?-?-? 7.536 112.345 6.835 2804386304 ?-?-? 1.345 125.100 8.256 320623136 ?-?-? 7.536 112.345 7.536 11279476736 ?-?-? 6.835 112.573 6.836 12319070208 ?-?-? 6.836 112.745 7.560 4186752512 ?-?-? 4.396 124.731 8.404 554411328 ?-?-? 7.560 112.738 6.840 2597901056 ?-?-? 2.957 124.643 8.320 94683480 ?-?-? 7.556 112.750 7.557 19510542336 ?-?-? 1.883 124.710 8.231 54867452 ?-?-? 2.691 108.855 8.325 18200638 ?-?-? 4.374 124.389 8.314 778963584 ?-?-? 2.682 121.834 8.516 21447268 ?-?-? 4.336 122.121 8.158 183593792 ?-?-? 4.765 122.115 8.158 59415952 ?-?-? 4.799 122.128 8.158 43455312 ?-?-? 1.677 123.818 8.304 148112928 ?-?-? 4.340 121.955 7.949 48452176 ?-?-? 2.493 124.185 8.301 153242112 ?-?-? 2.483 124.192 8.304 154091600 ?-?-? 1.390 119.701 7.936 42942792 ?-?-? 3.868 125.895 8.245 22039910 ?-?-? 3.945 125.865 8.244 26942752 ?-?-? 3.856 117.714 8.236 42538268 ?-?-? 3.931 117.672 8.237 41139112 ?-?-? 4.797 117.729 8.237 93718288 ?-?-? 8.243 116.079 8.243 3928492544 ?-?-? 4.796 115.611 8.155 103847808 ?-?-? 4.561 123.355 8.341 66415948 ?-?-? 2.312 123.418 8.344 59517600 ?-?-? 4.408 122.717 8.475 937953856 ?-?-? 4.795 110.076 8.227 55541784 ?-?-? 4.796 118.599 8.111 42340872 ?-?-? 1.882 122.712 8.475 225778928 ?-?-? 1.791 122.784 8.097 102149968 ?-?-? 1.684 122.828 8.191 115749928 ?-?-? 3.888 125.484 8.149 31746396 ?-?-? 3.830 114.150 8.090 44489688 ?-?-? 3.903 114.157 8.090 41624504 ?-?-? 4.412 122.590 8.435 900554752 ?-?-? 4.777 114.131 8.089 53157444 ?-?-? 1.881 122.543 8.431 356779808 ?-?-? 4.810 114.165 8.090 49833836 ?-?-? 1.643 122.501 8.306 130667680 ?-?-? 4.782 122.321 8.097 35096152 ?-?-? 4.817 122.330 8.096 31226006 ?-?-? 4.786 122.478 8.257 49327496 ?-?-? 4.816 122.502 8.257 37600472 ?-?-? 8.432 122.536 8.433 7653231104 ?-?-? 8.476 122.717 8.476 6369296896 ?-?-? 4.786 125.452 8.179 51943788 ?-?-? 4.536 122.710 8.475 107098552 ?-?-? 4.816 125.422 8.178 42480472 ?-?-? 3.879 114.662 8.136 44885096 ?-?-? 3.949 114.661 8.135 35876496 ?-?-? 4.785 114.642 8.136 59385384 ?-?-? 4.814 114.652 8.136 49801008 ?-?-? 4.766 122.351 8.119 32281054 ?-?-? 2.042 122.547 8.431 79146960 ?-?-? 2.013 122.579 8.434 73443520 ?-?-? 3.942 126.201 8.402 31984288 ?-?-? 1.606 122.445 8.230 123749456 ?-?-? 1.582 120.417 8.010 28871580 ?-?-? 4.077 120.405 8.010 42694416 ?-?-? 1.612 122.843 8.192 50180488 ?-?-? 1.872 122.179 8.376 249165856 ?-?-? 1.865 122.316 8.134 89899064 ?-?-? 2.033 122.205 8.417 89476256 ?-?-? 4.427 122.425 8.423 965858176 ?-?-? 4.420 122.158 8.375 1063257088 ?-?-? 4.803 122.354 8.119 61058200 ?-?-? 4.553 122.415 8.423 98654736 ?-?-? 4.539 122.564 8.434 114942160 ?-?-? 0.823 119.364 8.267 42403164 ?-?-? 1.903 122.202 8.327 68928608 ?-?-? 2.029 122.199 8.377 69364256 ?-?-? 0.857 119.373 8.269 33243420 ?-?-? 0.905 119.463 8.274 30516480 ?-?-? 0.936 119.387 8.271 34888464 ?-?-? 1.881 122.283 8.418 270847200 ?-?-? 1.968 122.117 8.158 97062944 ?-?-? 2.069 126.683 8.211 51873128 ?-?-? 1.633 122.017 7.952 135975360 ?-?-? 1.602 121.109 8.076 56088888 ?-?-? 1.953 121.310 8.282 128789688 ?-?-? 2.050 121.287 8.282 69754264 ?-?-? 2.290 121.310 8.282 38941488 ?-?-? 4.408 122.120 8.414 820458240 ?-?-? 2.638 121.311 8.282 30433268 ?-?-? 2.760 121.287 8.282 25701730 ?-?-? 1.839 121.152 8.419 39329416 ?-?-? 1.870 121.191 8.418 32325550 ?-?-? 1.968 121.897 8.360 67408480 ?-?-? 1.900 121.424 8.439 116888824 S2H-N-H 8.370 121.622 8.371 7965770000 D3H-N-H 8.515 121.818 8.516 7525125120 D3HB2-N-H 2.718 121.816 8.516 25370230 Q4H-N-H 8.310 120.466 8.310 10199949312 Q4HA-S5N-H 4.355 116.938 8.376 90150544 Q4HB2-N-H 1.966 120.489 8.312 37564480 S5H-N-H 8.376 116.924 8.376 6648295424 S5HA-N-H 4.382 116.936 8.376 61169692 S5HB2-N-H 3.881 116.933 8.377 68063648 Q6H-N-H 8.363 121.865 8.364 7948459008 Q6HA-N-H 4.401 121.865 8.363 184494000 Q6HA-E7N-H 4.400 123.359 8.342 272675200 Q6HB2-N-H 1.948 121.872 8.362 59645144 E7H-N-H 8.343 123.404 8.343 7234292224 E7HA-N-H 4.586 123.336 8.342 65618904 E7HB2-N-H 1.891 123.419 8.343 133828448 E7HB3-N-H 2.041 123.456 8.344 56795592 P8HA-T9N-H 4.569 113.485 8.365 380175328 P8HB2-T9N-H 1.907 113.483 8.365 31916666 P8HB3-T9N-H 2.293 113.489 8.365 42392712 P8HG2-I13N-H 1.991 122.456 8.229 213631920 T9H-N-H 8.364 113.459 8.364 3528001792 T9HA-N-H 4.371 113.447 8.364 62721976 T9HB-M10N-H 4.499 121.375 8.681 80719824 T9HB-E11N-H 4.499 119.452 8.563 59435104 T9HG21-N-H 1.312 113.468 8.365 175038480 M10H-N-H 8.682 121.360 8.682 1982428928 M10HA-N-H 4.371 121.377 8.682 228892864 M10HA-E11N-H 4.371 119.493 8.564 52380060 M10HB2-N-H 2.103 121.372 8.682 122921544 M10HB2-E11N-H 2.098 119.461 8.564 73656888 M10HG2-N-H 2.612 121.336 8.683 24419774 M10HG2-D25N-H 2.613 120.421 8.152 106118576 E11H-N-H 8.564 119.477 8.564 3205458432 E11HA-N-H 4.062 119.436 8.564 95986528 E11HA-I13N-H 4.044 122.439 8.229 37295072 E11HG2-N-H 2.332 119.448 8.564 28808928 E12H-E11N-H 8.039 119.501 8.563 79454384 E12H-N-H 8.026 121.173 8.027 1757446912 E12HA-N-H 4.132 121.156 8.026 84755616 E12HA-I13N-H 4.127 122.468 8.230 75360736 E12HB2-E11N-H 2.007 119.467 8.563 205052992 E12HB2-N-H 2.014 121.125 8.025 68663176 E12HB3-T9N-H 2.181 113.464 8.366 117521568 E12HB3-N-H 2.176 121.142 8.025 96614440 E12HB3-I13N-H 2.189 122.433 8.231 38663244 I13H-E12N-H 8.232 121.144 8.027 109487376 I13H-N-H 8.230 122.481 8.231 3605630000 I13HA-N-H 3.886 122.434 8.230 75002552 L14H-N-H 8.328 122.188 8.327 6913560064 L14HA-N-H 4.153 122.339 8.337 64852176 L14HA-A15N-H 4.148 121.817 7.985 86550712 L14HB2-N-H 1.547 122.290 8.336 54065392 L14HB3-N-H 1.753 122.272 8.339 176029584 L14HB3-A15N-H 1.754 121.784 7.986 66182620 L14HD11-N-H 0.889 122.285 8.337 62991936 A15H-N-H 7.985 121.810 7.986 4120984320 A15HA-N-H 4.194 121.772 7.985 155301600 A15HA-S16N-H 4.201 113.787 7.952 54368840 A15HA-S22N-H 4.196 119.678 8.352 58372832 A15HB2-N-H 1.462 121.800 7.985 299734528 A15HB2-S16N-H 1.463 113.784 7.951 106485120 S16H-N-H 7.952 113.763 7.952 3516186112 S16HA-N-H 4.351 113.785 7.952 84154128 S16HA-I17N-H 4.336 121.553 7.800 34728904 S16HB2-I13N-H 3.972 122.450 8.230 26190068 S16HB2-N-H 3.967 113.803 7.952 145998800 S16HB2-I17N-H 3.970 121.566 7.800 30932794 I17H-N-H 7.800 121.572 7.800 1720915584 I17H-R18N-H 7.811 122.750 8.098 84511248 I17HA-N-H 4.088 121.596 7.799 44094924 I17HA-R18N-H 4.094 122.833 8.098 67879096 I17HB-N-H 1.929 121.574 7.801 85538608 I17HB-R18N-H 1.926 122.787 8.097 43702972 R18H-N-H 8.096 122.770 8.098 1260852096 R19H-N-H 8.099 121.735 8.098 714990208 S22HA-N-H 4.486 119.671 8.350 25735472 S22HA-E23N-H 4.484 123.126 8.519 113963544 E23H-N-H 8.518 123.123 8.519 1539194880 E23HA-N-H 4.301 123.136 8.519 44139428 E23HA-D24N-H 4.298 120.507 8.276 195871264 E23HA-A35N-H 4.296 125.089 8.256 802521984 E23HB2-N-H 1.949 123.127 8.520 44792384 E23HB3-N-H 2.095 123.122 8.519 19204264 E23HG2-E11N-H 2.300 119.458 8.564 31613204 E23HG2-N-H 2.293 123.145 8.519 21929280 D24H-N-H 8.274 120.454 8.275 7951575040 D24HA-N-H 4.571 120.461 8.276 72503808 D24HB2-N-H 2.571 120.468 8.276 105256064 D24HB3-N-H 2.713 120.475 8.275 53586828 D25H-N-H 8.152 120.402 8.152 7054803968 D25HA-N-H 4.584 120.434 8.152 327783488 D25HA-A26N-H 4.580 125.190 8.084 354922336 A26H-N-H 8.083 125.213 8.083 9891947520 A26HB2-N-H 1.345 125.190 8.084 249865488 A28H-N-H 8.518 125.148 8.518 1807426176 E29H-N-H 8.331 121.367 8.331 7414691840 P30HA-A31N-H 4.378 124.611 8.409 664487872 P30HB2-A31N-H 1.903 124.663 8.407 80740360 A31H-N-H 8.407 124.655 8.407 15239519232 A31HB2-N-H 1.377 124.640 8.408 265795456 A32H-N-H 8.299 123.920 8.298 21805516800 A32HA-N-H 4.279 123.807 8.301 808280448 A32HA-E33N-H 4.275 120.189 8.344 527094880 A32HB2-N-H 1.388 123.770 8.299 189872464 A32HB2-E33N-H 1.395 120.193 8.344 49057792 E33H-N-H 8.343 120.256 8.343 9496281088 E33HA-A34N-H 4.248 125.595 8.280 580198656 A34H-N-H 8.279 125.596 8.279 6914079744 A34HB2-N-H 1.365 125.593 8.280 181948320 A35H-N-H 8.256 125.125 8.256 5839444480 A35HA-N-H 4.582 125.111 8.256 62334752 P46HA-V47N-H 4.433 120.402 8.202 664665216 P46HB2-V47N-H 1.853 120.449 8.200 41348528 V47H-N-H 8.198 120.495 8.198 15386324992 V47HA-E12N-H 4.072 121.181 8.025 42909280 V47HA-S48N-H 4.071 119.339 8.264 650045952 V47HB-N-H 1.976 120.434 8.204 90041552 S48H-N-H 8.269 119.380 8.264 9800620032 S48HA-N-H 4.441 119.331 8.266 66950984 S48HA-F49N-H 4.454 122.882 8.398 559153664 S48HB2-N-H 3.773 119.339 8.267 69425656 S48HB2-F49N-H 3.780 122.888 8.399 38247220 F49H-N-H 8.399 122.919 8.399 5944203776 F49HA-N-H 4.661 122.855 8.398 37051704 F49HA-D50N-H 4.670 121.653 8.311 334758368 F49HB2-N-H 2.961 122.902 8.398 70922592 F49HB3-N-H 3.190 122.879 8.399 39787116 F49HB3-D50N-H 3.185 121.635 8.311 32255896 D50H-N-H 8.312 121.624 8.311 6737303552 D50HB2-N-H 2.558 121.658 8.311 83899104 D50HB3-N-H 2.708 121.593 8.311 36213004 D50HB3-D51N-H 2.710 120.591 8.197 63391660 D51H-N-H 8.200 120.591 8.203 10804073472 D51HA-E52N-H 4.547 120.957 8.255 239854352 E52H-N-H 8.255 120.870 8.257 7719002112 E52HA-N-H 4.259 120.929 8.255 58678536 E52HA-V53N-H 4.250 121.936 8.157 440907936 V53H-N-H 8.157 122.051 8.157 13036167168 V53HA-N-H 4.053 121.983 8.157 66514876 V53HA-L54N-H 4.045 126.424 8.259 486875296 V53HB-N-H 2.043 121.979 8.157 188766960 V53HG12-N-H 0.935 121.947 8.157 128176576 V53HG12-L54N-H 0.925 126.414 8.259 43611696 L54H-N-H 8.259 126.390 8.260 6085517824 L54HA-V53N-H 4.352 122.209 8.158 186087008 L54HA-N-H 4.354 126.398 8.260 49839212 L54HA-E55N-H 4.358 122.066 8.324 468474400 L54HB2-V53N-H 1.573 122.110 8.157 40376756 L54HB2-N-H 1.562 126.434 8.259 54696568 L54HD11-N-H 0.893 126.429 8.259 35484168 E55H-N-H 8.328 122.188 8.327 6913560064 E55HA-L56N-H 4.319 124.162 8.301 629795840 E55HB2-E52N-H 1.950 120.928 8.255 79148896 L56H-N-H 8.299 123.920 8.298 21805516800 L56HA-T57N-H 4.426 115.032 8.122 361060832 L56HB2-L54N-H 1.634 126.430 8.259 124613656 L56HB2-N-H 1.638 123.983 8.299 141814624 L56HB2-T57N-H 1.616 115.049 8.121 24488950 T57H-N-H 8.123 115.053 8.122 6454311424 T57HB-N-H 4.177 115.075 8.122 43728496 T57HG21-N-H 1.183 115.067 8.122 41172556 D58H-N-H 8.299 123.920 8.298 21805516800 P59HA-I60N-H 4.427 121.087 8.213 487535808 I60H-N-H 8.208 121.172 8.208 9221026816 I60HA-N-H 4.107 121.052 8.212 61703564 I60HA-A61N-H 4.106 129.854 8.321 941171328 I60HB-N-H 1.838 121.137 8.211 109921592 I60HB-A61N-H 1.852 129.879 8.320 29799892 I60HD11-A61N-H 0.906 129.866 8.321 59227304 I60HG12-N-H 1.472 121.085 8.212 41715464 I60HG21-N-H 1.194 121.072 8.212 64180280 A61H-N-H 8.320 129.863 8.321 6640678400 A61HA-N-H 4.607 129.888 8.321 56948380 A61HB2-N-H 1.349 129.863 8.321 192292304 P64HA-E65N-H 4.389 121.407 8.439 652814272 E65H-N-H 8.439 121.415 8.439 8131535360 E65HA-N-H 4.261 121.426 8.437 87369032 E65HA-L66N-H 4.260 125.350 8.329 811397248 E65HB2-N-H 1.943 121.740 8.450 97881072 E65HG2-N-H 2.289 121.423 8.439 52641924 L66H-N-H 8.328 125.439 8.327 5274435584 L66HA-N-H 4.624 125.369 8.329 59622808 L66HB2-N-H 1.573 125.347 8.329 179516768 P68HA-L69N-H 4.420 122.499 8.306 778965632 P68HB2-L69N-H 1.919 122.487 8.306 40105040 P68HB3-L69N-H 2.276 122.512 8.307 32283554 L69H-N-H 8.306 122.569 8.306 7704966656 L69HA-N-H 4.290 122.499 8.306 95718744 L69HA-E70N-H 4.296 121.735 8.450 657645120 L69HB2-E70N-H 1.590 121.720 8.451 38757104 L69HD11-V47N-H 0.907 120.443 8.202 92435504 E70H-N-H 8.447 121.661 8.447 8657090560 E70HA-T71N-H 4.370 115.819 8.227 541170432 E70HB3-N-H 2.061 121.749 8.449 50920900 E70HB3-T71N-H 2.042 115.832 8.229 44053160 T71H-N-H 8.230 115.827 8.232 9564944384 T71HA-V72N-H 4.370 122.684 8.207 361395808 T71HB-N-H 4.201 115.834 8.226 53631552 T71HB-V72N-H 4.179 122.733 8.205 65457064 T71HG21-N-H 1.174 115.813 8.228 47134272 V72H-N-H 8.205 122.725 8.207 7474393088 V72HA-G73N-H 4.149 112.369 8.422 289118560 V72HB-N-H 2.093 122.744 8.209 74610016 V72HG12-N-H 0.952 122.756 8.209 94389560 G73H-N-H 8.425 112.336 8.425 11674526720 G73HA2-D74N-H 3.937 120.652 8.242 118533808 D74H-N-H 8.245 120.631 8.245 11619201024 D74HA-N-H 4.618 120.649 8.244 71878640 D74HA-I75N-H 4.628 120.126 8.064 241595184 D74HB2-N-H 2.579 120.656 8.243 107875560 D74HB2-I75N-H 2.584 120.119 8.064 27101172 D74HB2-D76N-H 2.599 124.047 8.407 128160272 D74HB2-D99N-H 2.590 122.437 8.386 93192336 D74HB3-N-H 2.688 120.658 8.244 51788200 D74HB3-I75N-H 2.701 120.138 8.063 39124752 D74HB3-D76N-H 2.687 124.081 8.406 58718708 I75H-N-H 8.064 120.131 8.064 9326434304 I75HA-N-H 4.164 120.136 8.065 46224584 I75HA-D76N-H 4.176 124.087 8.405 436754336 I75HB-N-H 1.872 120.135 8.065 94196256 I75HD11-N-H 0.890 120.105 8.065 44640864 I75HG12-N-H 1.440 120.131 8.064 39078416 I75HG21-N-H 1.167 120.147 8.064 60909296 D76H-N-H 8.405 124.319 8.408 8544730000 D76HA-N-H 4.622 124.098 8.405 88130136 D76HA-V77N-H 4.627 120.030 7.952 280269280 V77H-N-H 7.950 119.997 7.950 8213275136 V77HA-N-H 4.081 120.052 7.952 56283824 V77HA-Y78N-H 4.067 124.656 8.321 440937152 V77HB-N-H 2.030 120.042 7.952 72418776 V77HB-Y78N-H 2.010 124.569 8.317 38746072 V77HG12-N-H 0.831 120.027 7.952 154824640 V77HG12-Y78N-H 0.832 124.651 8.319 56393844 Y78H-N-H 8.316 124.497 8.315 10689571840 Y78HA-N-H 4.566 124.669 8.319 60719824 Y78HA-S79N-H 4.567 121.081 7.965 677222528 Y78HB2-N-H 2.992 124.598 8.321 102425376 Y78HB2-S79N-H 2.958 121.102 7.966 28092608 S79H-N-H 7.965 121.096 7.966 6030479872 S79HB3-N-H 3.744 121.108 7.967 26084752 P83HA-E84N-H 4.392 120.846 8.568 610653632 P83HB3-E84N-H 2.301 120.849 8.569 62361352 E84H-N-H 8.568 120.866 8.568 6170236416 E84HA-N-H 4.263 120.851 8.569 86339616 E84HA-S85N-H 4.252 116.849 8.303 376456832 S85H-N-H 8.304 116.835 8.304 6505264128 S85HA-N-H 4.434 116.807 8.305 59842452 S85HA-E86N-H 4.441 123.719 8.357 595467712 S85HB2-N-H 3.844 116.853 8.304 101789728 S85HB2-E86N-H 3.848 123.696 8.355 44970880 E86H-N-H 8.355 123.650 8.354 6666017792 E86HA-N-H 4.609 123.699 8.357 71126664 E86HB2-N-H 1.912 123.707 8.357 128819240 E86HB3-E84N-H 2.057 120.869 8.568 48439896 E86HB3-S85N-H 2.065 116.810 8.303 30988006 E86HB3-N-H 2.048 123.664 8.355 66958000 P87HA-A88N-H 4.369 124.148 8.386 580742656 P87HB2-A88N-H 1.842 124.149 8.387 45223416 P87HB3-A88N-H 2.244 124.116 8.391 25473894 P87HG2-A88N-H 2.002 124.154 8.386 28728394 A88H-N-H 8.391 124.124 8.390 7409724416 A88HA-N-H 4.281 124.146 8.386 105511272 A88HA-Y89N-H 4.286 120.551 8.188 520516352 A88HB2-N-H 1.349 124.153 8.387 206176848 A88HB2-Y89N-H 1.338 120.574 8.189 65463568 Y89H-N-H 8.191 120.590 8.189 9298104320 Y89HA-T90N-H 4.561 121.932 7.892 737651584 Y89HB2-N-H 2.874 120.575 8.190 175687632 Y89HB2-T90N-H 2.881 121.916 7.892 23119252 Y89HB3-N-H 3.059 120.569 8.189 62392448 Y89HB3-T90N-H 3.044 121.938 7.892 28376564 T90H-N-H 7.891 121.925 7.891 5266566656 T90HB-N-H 3.940 121.938 7.892 44199432 A94H-N-H 8.316 124.497 8.315 10689571840 A94HA-A95N-H 4.267 124.815 8.219 875387712 A94HB2-N-H 1.351 124.362 8.314 274526944 A95H-N-H 8.220 124.812 8.220 8501635584 A95HA-N-H 4.558 124.848 8.220 77944736 A95HB2-N-H 1.348 124.821 8.219 405569280 P96HA-V97N-H 4.363 120.036 8.096 637790400 P96HB2-V97N-H 1.674 119.975 8.097 29199856 P96HB3-V97N-H 2.181 120.026 8.096 26362042 P96HG2-L14N-H 1.986 122.312 8.337 86163104 V97H-N-H 8.095 119.994 8.096 5837850624 V97HA-N-H 4.033 120.002 8.098 66117652 V97HA-F98N-H 4.033 123.854 8.284 641768768 V97HB-N-H 1.947 120.020 8.096 116941552 V97HG12-N-H 0.881 120.021 8.097 132627864 V97HG12-F98N-H 0.851 123.907 8.295 55678688 F98H-N-H 8.288 124.007 8.285 7479723008 F98HA-D99N-H 4.685 122.522 8.386 284879424 F98HB2-N-H 2.965 123.852 8.287 91465168 F98HB3-N-H 3.130 123.871 8.290 63351724 F98HB3-D99N-H 3.140 122.425 8.386 47069664 D99H-N-H 8.383 122.372 8.383 7632527360 D99HA-R100N-H 4.579 121.390 8.205 303417696 D99HB2-N-H 2.674 122.431 8.386 73168272 R100H-N-H 8.208 121.172 8.208 9221026816 R100HA-N-H 4.261 121.298 8.206 70415360 R100HA-D101N-H 4.264 121.154 8.418 235926304 R100HE-NE-HE 7.298 110.842 7.298 724190848 R100HG2-N-H 1.620 121.267 8.206 39594956 D101H-N-H 8.417 121.196 8.417 7705687552 D101HA-D99N-H 4.596 122.435 8.386 109114336 D101HA-N-H 4.594 121.177 8.418 99888584 D101HA-E102N-H 4.602 121.302 8.282 243074112 D101HB2-N-H 2.623 121.175 8.418 141923712 D101HB2-E102N-H 2.606 121.283 8.282 39525204 D101HB3-N-H 2.740 121.155 8.418 58714696 D101HB3-E102N-H 2.723 121.278 8.281 30309926 E102H-N-H 8.282 121.276 8.282 7684383232 E102HA-N-H 4.253 121.274 8.282 85189984 E102HA-V103N-H 4.245 120.784 8.080 309316128 E102HG2-N-H 2.249 121.300 8.281 27884916 V103H-N-H 8.079 120.914 8.079 10443659264 V103HA-N-H 4.016 120.836 8.080 84575568 V103HA-A104N-H 4.017 126.678 8.211 324986176 V103HB-N-H 2.085 120.802 8.079 167580240 V103HB-A104N-H 2.095 126.691 8.211 66360936 V103HG12-N-H 0.939 120.789 8.080 191062144 V103HG12-A104N-H 0.920 126.690 8.211 56973016 A104H-N-H 8.210 126.687 8.211 8707324928 A104HA-N-H 4.238 126.663 8.211 62671540 A104HA-E105N-H 4.247 119.478 8.277 246543584 A104HB2-N-H 1.390 126.676 8.211 208989664 A104HB2-E105N-H 1.407 119.448 8.275 64610372 E105H-N-H 8.274 119.456 8.274 12551723008 E105HA-Q106N-H 4.193 120.436 8.259 301216448 E105HG2-N-H 1.998 119.502 8.273 53055912 E105HG2-Q106N-H 2.001 120.413 8.260 93765700 Q106H-N-H 8.263 120.435 8.262 6460432384 Q106HA-L107N-H 4.283 122.900 8.190 275491328 Q106HG2-N-H 2.383 120.418 8.259 35659432 L107H-N-H 8.191 122.839 8.191 7509481472 L107HA-V108N-H 4.366 120.440 8.010 214782160 L107HB2-N-H 1.570 122.861 8.190 44964556 L107HB2-V108N-H 1.549 120.438 8.010 30646664 L107HB3-N-H 1.651 122.848 8.191 78367808 L107HB3-V108N-H 1.666 120.432 8.010 29893112 V108H-N-H 8.010 120.435 8.010 7413432832 V108HA-N-H 4.100 120.424 8.010 55760712 V108HA-G109N-H 4.093 112.248 8.435 198134528 V108HB-N-H 2.077 120.423 8.009 86994008 V108HB-G109N-H 2.084 112.288 8.432 54358544 V108HG12-N-H 0.952 120.470 8.011 150199088 V108HG12-G109N-H 0.939 112.294 8.430 91233872 G109H-N-H 8.431 112.306 8.437 6428190000 G109HA2-N-H 3.970 112.281 8.432 244523424 G109HA2-V110N-H 3.968 119.215 7.958 268053200 G109HA2-G121N-H 3.966 110.108 8.226 111247888 G109HA2-S122N-H 3.948 115.621 8.156 72823432 V110H-N-H 7.958 119.183 7.958 6462710784 V110HA-N-H 4.134 119.179 7.958 55185456 V110HA-S111N-H 4.138 119.351 8.429 196870224 V110HB-N-H 2.092 119.204 7.959 106457320 V110HB-S111N-H 2.087 119.350 8.429 30869608 V110HG12-N-H 0.928 119.190 7.958 151891088 V110HG12-S111N-H 0.936 119.307 8.428 63379544 S111H-N-H 8.428 119.332 8.429 5458593280 S111HA-N-H 4.446 119.327 8.430 45685500 S111HA-A112N-H 4.451 126.217 8.401 169931552 S111HB2-N-H 3.892 119.332 8.429 52597568 S111HB2-A112N-H 3.906 126.204 8.401 26598264 A112H-N-H 8.402 126.195 8.401 5420803072 A112HA-N-H 4.290 126.181 8.400 68270672 A112HB2-N-H 1.403 126.213 8.401 234169104 A113H-N-H 8.256 122.457 8.256 6372937216 A113HA-N-H 4.275 122.479 8.257 211678192 A113HA-S114N-H 4.274 114.645 8.136 110050224 A113HB2-N-H 1.400 122.468 8.257 306003392 A113HB2-S114N-H 1.400 114.668 8.136 102284288 S114H-N-H 8.136 114.677 8.136 6187566592 S114HA-N-H 4.384 114.658 8.136 63358080 S114HA-A115N-H 4.379 125.867 8.245 122408464 S114HB2-N-H 3.915 114.663 8.136 51593416 S114HB2-A115N-H 3.905 125.897 8.246 22528032 A115H-N-H 8.245 125.908 8.245 6057593856 A115HA-N-H 4.288 125.884 8.245 71708800 A115HA-A116N-H 4.272 122.365 8.120 203651472 A115HB2-N-H 1.407 125.848 8.246 250428944 A116H-N-H 8.120 122.350 8.120 9477895168 A116HA-A117N-H 4.256 122.374 8.097 151681696 A116HB2-N-H 1.406 122.361 8.117 296585472 A117H-N-H 8.097 122.345 8.096 6945212416 A117HA-S118N-H 4.270 114.145 8.090 120774528 A117HB2-N-H 1.415 122.284 8.096 267318880 A117HB2-S118N-H 1.418 114.129 8.089 89605568 S118H-N-H 8.090 114.133 8.090 7345578496 S118HA-N-H 4.380 114.137 8.089 72342000 S118HA-A119N-H 4.381 125.437 8.149 102749032 S118HB2-N-H 3.869 114.154 8.089 47266852 S118HB2-A119N-H 3.850 125.428 8.149 23686244 A119H-N-H 8.148 125.471 8.149 6572630528 A119HA-N-H 4.248 125.416 8.149 63087340 A119HA-F120N-H 4.257 118.577 8.111 95040488 A119HB2-N-H 1.268 125.438 8.149 210024608 A119HB2-F120N-H 1.262 118.606 8.111 72810144 F120H-N-H 8.112 118.593 8.112 7469058048 F120HA-N-H 4.564 118.612 8.111 69552336 F120HA-G121N-H 4.586 110.099 8.227 86191096 F120HB2-N-H 3.035 118.635 8.112 126210880 F120HB3-N-H 3.183 118.590 8.112 59221888 G121H-N-H 8.226 110.087 8.227 4656808448 S122H-N-H 8.155 115.572 8.156 4918057472 S122HA-N-H 4.449 115.593 8.156 54608096 S122HA-L123N-H 4.439 123.812 8.306 122061040 S122HB2-G121N-H 3.888 110.103 8.227 95200896 S122HB2-N-H 3.891 115.619 8.155 199871312 L123H-N-H 8.299 123.920 8.298 21805516800 L123HB2-S124N-H 1.650 115.855 8.234 34279040 S124H-N-H 8.230 115.827 8.232 9564944384 S124HA-N-H 4.398 116.079 8.241 108725000 S124HA-S125N-H 4.403 117.716 8.237 124800592 S124HB2-N-H 3.896 115.833 8.238 39118592 S125H-N-H 8.237 117.671 8.236 2884302848 S125HA-A126N-H 4.385 125.430 8.178 126314088 S125HB2-N-H 3.900 117.629 8.237 30775900 A126H-N-H 8.178 125.449 8.178 5798168576 A126HA-N-H 4.276 125.457 8.176 62692644 A126HB2-N-H 1.384 125.404 8.179 221683824 A126HB2-L127N-H 1.361 119.747 7.937 25871660 L127H-N-H 7.939 119.788 7.940 7200104448 L127HA-N-H 4.278 119.678 7.937 215911888 L127HA-L128N-H 4.284 122.004 7.951 187325216 L127HB2-N-H 1.623 119.690 7.936 200646400 L128H-N-H 7.952 121.997 7.951 5071301120 L128HB2-N-H 1.578 122.013 7.952 122377280 M129H-N-H 8.157 122.051 8.157 13036167168 P130HA-K131N-H 4.416 121.820 8.510 129974792 K131HA-D132N-H 4.285 120.315 8.309 168930032 K131HB2-N-H 1.771 121.818 8.513 27683912 D132H-N-H 8.310 120.466 8.310 10199949312 D132HA-N-H 4.600 120.423 8.309 87407648 D132HA-G133N-H 4.594 108.851 8.324 63525212 D132HB2-N-H 2.710 120.340 8.306 83422016 D132HB2-G133N-H 2.720 108.832 8.324 23640672 G133H-N-H 8.324 108.840 8.325 3497186304 G133HA2-N-H 3.943 108.849 8.324 171510080 G133HA2-L134N-H 3.936 121.065 8.077 70880448 L134H-N-H 8.079 120.914 8.079 10443659264 L134HA-N-H 4.287 121.075 8.075 45654704 L134HB2-N-H 1.575 121.063 8.078 64186824 E135H-N-H 8.343 120.256 8.343 9496281088 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . 11.0000 ppm . . . 4.700 . . 30773 1 2 . . N 15 N . . 26.0000 ppm . . . 119.0 . . 30773 1 3 . . H 1 HN . . 16.0220 ppm . . . 4.700 . . 30773 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 30773 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 13 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Data Height ?-?-? 0.922 42.232 1.667 36154040 ?-?-? 4.370 21.953 1.314 66849936 ?-?-? 4.170 21.600 1.175 231847344 ?-?-? 1.174 70.117 4.175 142364896 ?-?-? 1.149 70.334 3.929 116526024 ?-?-? 1.175 21.608 1.175 25364822016 ?-?-? 0.940 21.092 0.939 53937082368 ?-?-? 0.852 12.941 0.853 21702479872 ?-?-? 0.895 17.531 0.894 32003104768 ?-?-? 0.832 20.252 0.831 16838828032 ?-?-? 0.907 23.392 0.908 16611208192 ?-?-? 0.866 23.470 0.866 50427547648 ?-?-? 0.841 21.189 0.842 38547931136 ?-?-? 0.854 23.484 0.851 45124411392 ?-?-? 0.921 24.962 0.918 58178408448 ?-?-? 1.193 51.398 1.190 2510192896 ?-?-? 1.315 21.940 1.314 6914689024 ?-?-? 1.145 21.154 1.145 10195587072 ?-?-? 1.269 19.006 1.271 10641590272 ?-?-? 1.348 18.260 1.348 38797819904 ?-?-? 1.463 18.631 1.463 6897498112 ?-?-? 1.404 18.999 1.403 52847022080 ?-?-? 1.362 19.341 1.364 37711032320 ?-?-? 1.388 19.151 1.392 45438570496 ?-?-? 1.625 42.406 1.628 3979016448 ?-?-? 1.573 42.365 1.573 3969079808 ?-?-? 1.676 42.285 1.676 2398749696 ?-?-? 1.483 27.351 1.483 2257239808 ?-?-? 1.614 27.006 1.613 4877518848 ?-?-? 1.661 27.055 1.662 3217842944 ?-?-? 1.680 29.095 1.680 1926782336 ?-?-? 1.686 32.060 1.687 1700462592 ?-?-? 2.093 32.787 2.095 5543593472 ?-?-? 2.020 32.809 2.020 2919171328 ?-?-? 2.277 32.101 2.277 16647600128 ?-?-? 2.277 32.129 1.890 1545507968 ?-?-? 1.897 32.098 1.897 12704615424 ?-?-? 1.894 31.984 2.279 1510418432 ?-?-? 2.171 32.055 2.171 1522020864 ?-?-? 2.009 32.111 1.896 1045871616 ?-?-? 2.338 30.761 2.335 6960582144 ?-?-? 2.337 30.715 1.901 1407835392 ?-?-? 1.904 30.663 1.906 6282408960 ?-?-? 1.908 30.712 2.342 1217615872 ?-?-? 2.027 30.233 1.917 1175019904 ?-?-? 2.041 30.310 2.037 4653842944 ?-?-? 2.026 30.134 2.032 6342467072 ?-?-? 1.957 30.108 1.958 4692594176 ?-?-? 1.962 30.179 2.039 2485935872 ?-?-? 2.036 30.151 1.960 1916522752 ?-?-? 1.876 29.629 1.876 7277973504 ?-?-? 2.038 29.632 1.874 1117666048 ?-?-? 2.032 29.644 2.038 9289674752 ?-?-? 1.894 29.625 2.042 1682763648 ?-?-? 2.017 27.328 2.014 36674846720 ?-?-? 1.911 27.365 2.004 2744087552 ?-?-? 2.075 24.598 2.076 14544302080 ?-?-? 2.093 17.013 2.094 24563812352 ?-?-? 2.312 36.293 2.312 4268479744 ?-?-? 2.284 35.825 2.290 8861272064 ?-?-? 2.360 33.941 2.362 9572570112 ?-?-? 2.960 39.898 2.959 2726808832 ?-?-? 2.870 39.206 2.872 1143283200 ?-?-? 2.714 39.522 2.716 1072591296 ?-?-? 2.702 41.047 2.705 9039867904 ?-?-? 2.603 41.067 2.690 3007311104 ?-?-? 2.690 41.103 2.597 1991773824 ?-?-? 2.601 41.101 2.603 3841031680 ?-?-? 2.489 40.803 2.490 1116700160 ?-?-? 2.585 41.130 2.584 3550585344 ?-?-? 2.706 47.965 2.702 2788692224 ?-?-? 2.609 47.958 2.616 2864263424 ?-?-? 2.707 47.956 2.610 1281883520 ?-?-? 2.605 47.975 2.706 1350789632 ?-?-? 2.617 32.024 2.617 2723936512 ?-?-? 2.547 32.034 2.541 713692416 ?-?-? 2.360 33.753 2.359 9146784768 ?-?-? 3.034 39.347 3.034 2385485312 ?-?-? 3.189 39.703 3.190 2455195904 ?-?-? 3.145 40.017 3.144 1266658816 ?-?-? 3.004 42.208 3.004 4090087680 ?-?-? 3.192 43.435 3.193 13233026048 ?-?-? 3.170 25.916 3.170 907431488 ?-?-? 3.484 50.122 3.484 1031196928 ?-?-? 3.491 50.097 3.569 563107520 ?-?-? 3.565 50.158 3.570 1277780736 ?-?-? 3.558 50.626 3.561 1740464384 ?-?-? 2.996 54.440 2.995 916355392 ?-?-? 4.108 60.887 4.108 2234176768 ?-?-? 4.179 61.184 4.180 3939573760 ?-?-? 4.070 62.161 4.071 4825226752 ?-?-? 4.031 62.066 4.031 2574811392 ?-?-? 4.151 62.576 4.151 6484821504 ?-?-? 4.097 62.665 4.098 3291652352 ?-?-? 4.010 63.098 4.010 4765608960 ?-?-? 3.633 63.557 3.632 3436392448 ?-?-? 3.766 63.564 3.764 3232810240 ?-?-? 3.887 63.875 3.887 14494575616 ?-?-? 3.842 64.068 3.843 12443709440 ?-?-? 3.922 63.736 3.926 6925805056 ?-?-? 3.771 64.206 3.773 4809074176 ?-?-? 3.552 65.408 3.555 22602731520 ?-?-? 3.645 65.369 3.643 23801503744 ?-?-? 3.641 65.327 3.555 8019152896 ?-?-? 3.571 65.290 3.647 8216562176 ?-?-? 3.967 45.407 3.967 8967362560 ?-?-? 3.942 45.623 3.943 3867785216 ?-?-? 3.885 45.567 3.894 1678029952 ?-?-? 4.181 70.018 4.179 3270592512 ?-?-? 3.629 50.450 3.629 14080063488 ?-?-? 3.634 50.417 3.810 2060096256 ?-?-? 3.800 50.396 3.627 1595342080 ?-?-? 3.804 50.599 3.806 16790311936 ?-?-? 3.677 50.644 3.679 11088485376 ?-?-? 3.674 50.644 3.806 3420226304 ?-?-? 3.801 50.646 3.682 2648545536 ?-?-? 3.845 50.527 3.843 3843550000 ?-?-? 3.776 74.973 3.777 19936026624 ?-?-? 4.282 52.316 4.281 8062430208 ?-?-? 4.277 53.048 4.278 12834565120 ?-?-? 4.202 53.850 4.202 1369300224 ?-?-? 4.364 55.097 4.364 3490717184 ?-?-? 4.289 55.288 4.289 5150991872 ?-?-? 4.391 55.492 4.391 3528323072 ?-?-? 4.255 56.454 4.254 7436946944 ?-?-? 4.363 56.158 4.364 2938890752 ?-?-? 4.291 56.242 4.289 3916998400 ?-?-? 4.160 56.659 4.159 2484355840 ?-?-? 4.188 57.129 4.188 3392538112 ?-?-? 4.448 58.482 4.447 4130496512 ?-?-? 4.387 58.762 4.386 6260134400 ?-?-? 4.375 61.540 4.375 2962882816 ?-?-? 4.327 61.634 4.327 1883947904 ?-?-? 4.414 62.874 4.416 7240982016 ?-?-? 4.373 63.015 4.374 6458647040 ?-?-? 4.575 50.411 4.575 1174126976 ?-?-? 4.589 54.259 4.588 2290032384 ?-?-? 4.549 54.285 4.548 2633828352 ?-?-? 4.617 54.329 4.620 1227513984 ?-?-? 4.432 55.024 4.431 1375763840 ?-?-? 4.526 61.191 4.526 690424512 ?-?-? 4.559 61.322 4.560 715818432 ?-?-? 7.085 37.422 7.082 566187648 ?-?-? 7.109 37.339 7.109 623633344 ?-?-? 6.791 46.041 6.818 1447448832 ?-?-? 6.789 46.070 6.766 1432096000 ?-?-? 2.023 50.483 3.807 1024169728 ?-?-? 2.024 50.418 3.624 541215808 ?-?-? 2.018 26.659 2.026 2169120768 ?-?-? 1.970 32.988 1.969 1787940992 ?-?-? 0.942 32.705 2.090 191891776 ?-?-? 0.938 32.253 0.935 2454302464 ?-?-? 1.764 56.878 1.762 378408864 ?-?-? 1.853 56.928 1.851 555405632 ?-?-? 1.768 56.935 1.844 169338208 ?-?-? 1.835 56.876 1.762 168722432 ?-?-? 1.900 32.103 2.002 366057184 ?-?-? 1.691 32.079 2.172 186887152 ?-?-? 2.170 32.076 1.686 276913120 ?-?-? 2.263 32.113 2.004 299562336 ?-?-? 2.003 32.067 2.171 185395232 ?-?-? 1.999 32.100 2.260 600007808 ?-?-? 2.156 32.093 2.259 528155968 ?-?-? 2.615 32.046 2.096 318509920 ?-?-? 2.094 32.028 2.616 309990848 ?-?-? 2.617 32.020 2.541 429230464 ?-?-? 2.560 32.029 2.623 553800768 ?-?-? 2.052 30.739 2.341 272991328 ?-?-? 2.321 29.612 2.040 289224160 ?-?-? 2.173 29.314 2.173 1668812288 ?-?-? 1.607 28.303 1.606 852977920 ?-?-? 1.151 28.242 1.150 680312256 ?-?-? 1.148 28.292 1.605 158963488 ?-?-? 1.597 28.271 1.151 131547400 ?-?-? 1.197 27.340 1.489 316495712 ?-?-? 1.484 27.380 1.191 286143712 ?-?-? 1.432 27.154 1.430 1754394752 ?-?-? 1.177 27.196 1.176 2527427328 ?-?-? 1.182 27.165 1.450 150557424 ?-?-? 1.431 27.128 1.161 111557624 ?-?-? 1.465 24.725 1.468 490700896 ?-?-? 1.939 24.749 1.938 1399268864 ?-?-? 0.759 44.095 0.759 769412160 ?-?-? 1.840 38.585 1.839 1658917760 ?-?-? 1.883 38.616 1.884 2038763008 ?-?-? 1.933 38.515 1.934 1015539776 ?-?-? 0.905 13.263 0.904 3376003328 ?-?-? 2.329 35.665 2.324 10452600000 ?-?-? 2.267 62.863 4.416 242514032 ?-?-? 2.986 38.893 2.955 883205120 ?-?-? 2.996 38.948 2.998 913026816 ?-?-? 2.957 38.968 3.001 851702592 ?-?-? 2.958 38.808 2.958 761247488 ?-?-? 3.046 39.196 2.870 203937472 ?-?-? 2.873 39.197 3.050 253554480 ?-?-? 3.040 39.395 3.197 211376496 ?-?-? 3.183 39.385 3.027 250772496 ?-?-? 3.173 39.835 2.954 207296992 ?-?-? 2.969 39.804 3.199 141260000 ?-?-? 2.955 39.989 3.152 181637280 ?-?-? 3.139 40.040 2.948 189402720 ?-?-? 2.263 27.363 2.006 757480128 ?-?-? 3.636 54.735 3.636 641349824 ?-?-? 4.558 50.616 3.804 656191872 ?-?-? 4.548 50.624 3.678 590027072 ?-?-? 4.699 50.343 3.816 265694864 ?-?-? 4.696 50.335 3.619 443958272 ?-?-? 3.563 50.116 3.488 401082720 ?-?-? 4.361 69.977 4.186 253893920 ?-?-? 4.274 69.964 4.186 233402416 ?-?-? 3.633 63.540 3.766 415034816 ?-?-? 3.764 63.542 3.630 297349952 ?-?-? 4.191 61.712 4.378 221860992 ?-?-? 4.062 58.992 4.063 1441947776 ?-?-? 4.131 58.220 4.133 1456449408 ?-?-? 0.939 62.457 4.151 150777968 ?-?-? 0.902 38.605 1.890 103567064 ?-?-? 1.756 41.781 1.759 579654976 ?-?-? 1.543 41.756 1.761 151030896 ?-?-? 1.749 41.782 1.538 204694880 ?-?-? 4.576 18.237 1.351 231201712 ?-?-? 3.622 18.221 1.351 127774064 ?-?-? 4.201 18.614 1.463 160974752 ?-?-? 4.277 19.098 1.394 387400192 ?-?-? 4.281 19.310 1.373 260643824 ?-?-? 1.592 43.393 3.198 116142736 ?-?-? 2.095 21.149 0.941 272255872 ?-?-? 2.000 21.166 0.840 187132784 ?-?-? 1.949 21.215 0.843 153333440 ?-?-? 4.364 23.449 0.847 137748528 ?-?-? 1.908 50.375 3.623 223999328 ?-?-? 1.899 50.469 3.807 211367072 ?-?-? 1.348 50.430 3.627 118448576 ?-?-? 2.338 50.376 3.621 95487864 ?-?-? 2.021 50.634 3.681 546843264 ?-?-? 1.885 50.637 3.679 164844000 ?-?-? 2.280 50.608 3.803 117672912 ?-?-? 4.476 50.991 3.630 290103552 ?-?-? 3.799 27.370 2.015 897460352 ?-?-? 3.633 27.333 2.026 518942400 ?-?-? 3.704 27.368 2.004 293866000 ?-?-? 1.365 52.260 4.282 228125296 ?-?-? 1.404 53.089 4.275 304511712 ?-?-? 3.685 29.605 2.043 107207384 ?-?-? 4.549 29.594 2.040 110661792 ?-?-? 4.550 29.602 1.874 105178648 ?-?-? 1.464 53.877 4.202 128551080 ?-?-? 3.634 30.732 2.341 114162208 ?-?-? 3.624 30.730 1.902 189110720 ?-?-? 4.692 30.703 2.332 161662560 ?-?-? 4.415 32.097 1.891 147547584 ?-?-? 4.415 32.104 2.275 454828672 ?-?-? 3.799 32.097 1.889 113858272 ?-?-? 3.803 32.106 2.275 110806456 ?-?-? 3.658 32.088 1.888 87628368 ?-?-? 4.692 27.320 2.033 73122480 ?-?-? 4.555 27.370 2.009 74696320 ?-?-? 4.406 27.349 2.010 120696768 ?-?-? 0.873 27.440 1.194 103786768 ?-?-? 0.872 27.349 1.484 73587248 ?-?-? 4.591 41.100 2.604 55510488 ?-?-? 4.582 41.102 2.699 91013552 ?-?-? 1.959 32.271 2.624 64147584 ?-?-? 1.958 32.266 2.543 60731028 ?-?-? 2.041 32.294 2.543 59110424 ?-?-? 2.550 32.203 2.048 49734480 ?-?-? 2.535 32.215 1.957 44653272 ?-?-? 2.628 32.214 1.953 41068204 ?-?-? 2.629 32.185 2.047 49140364 ?-?-? 2.041 32.251 2.628 81136232 ?-?-? 4.567 32.215 2.287 79742880 ?-?-? 4.572 32.233 1.915 38888808 ?-?-? 3.810 30.710 2.332 58605080 ?-?-? 3.817 30.678 1.911 66342512 ?-?-? 4.696 30.717 1.907 81295552 ?-?-? 4.533 30.777 2.357 56815248 ?-?-? 4.545 30.787 1.906 32975160 ?-?-? 3.196 30.751 1.856 39515976 ?-?-? 3.200 30.712 1.809 32347692 ?-?-? 2.094 57.101 4.364 59493268 ?-?-? 2.103 56.976 4.303 37612352 ?-?-? 2.046 56.982 4.249 83572832 ?-?-? 2.041 57.068 4.188 33546764 ?-?-? 0.839 32.986 1.982 72815408 ?-?-? 0.852 56.985 0.850 2004334080 ?-?-? 0.938 57.061 0.935 2441937920 ?-?-? 1.353 57.041 1.352 1297079552 ?-?-? 1.398 56.978 1.399 1198816256 ?-?-? 2.708 40.766 2.478 120926496 ?-?-? 4.874 40.800 2.715 17360212 ?-?-? 8.307 41.195 2.702 43322772 ?-?-? 4.156 32.838 2.097 35955280 ?-?-? 3.811 32.760 2.018 17533896 ?-?-? 4.415 32.104 2.275 454829984 ?-?-? 2.000 32.071 1.688 44931528 ?-?-? 3.490 24.753 1.940 68480792 ?-?-? 3.569 24.739 1.938 43414568 ?-?-? 3.574 24.741 1.830 29773092 ?-?-? 3.484 24.724 1.840 19096038 ?-?-? 2.271 58.178 4.132 34582880 ?-?-? 2.194 58.151 4.134 30165852 ?-?-? 2.030 58.185 4.133 36686988 ?-?-? 1.464 58.196 4.134 70920632 ?-?-? 3.902 58.682 4.389 40270408 ?-?-? 3.870 58.783 4.387 27278636 ?-?-? 2.001 59.008 4.063 88377592 ?-?-? 1.757 58.952 4.063 26514940 ?-?-? 4.552 35.692 2.340 40219548 ?-?-? 3.689 35.613 2.319 16355000 ?-?-? 4.258 35.885 2.297 25018368 ?-?-? 1.840 60.872 4.108 26826236 ?-?-? 1.882 61.183 4.184 41923864 ?-?-? 1.198 61.278 4.192 19456790 ?-?-? 0.905 61.284 4.192 59114952 ?-?-? 1.192 61.017 4.113 10648644 ?-?-? 0.888 60.952 4.110 14188124 ?-?-? 3.839 61.281 4.525 18265056 ?-?-? 3.646 61.165 4.524 21239392 ?-?-? 3.816 61.321 4.561 20501750 ?-?-? 3.679 61.322 4.560 18467940 ?-?-? 1.312 61.302 4.371 46203308 ?-?-? 1.180 61.697 4.377 19160616 ?-?-? 1.173 61.629 4.327 20025780 ?-?-? 2.003 62.167 4.070 43156088 ?-?-? 0.882 62.087 4.070 36060296 ?-?-? 0.826 62.145 4.068 70149312 ?-?-? 1.952 62.062 4.031 28981972 ?-?-? 0.871 62.043 4.031 37657356 ?-?-? 1.572 38.518 1.933 23265402 ?-?-? 0.911 38.512 1.926 71692808 ?-?-? 2.095 62.556 4.150 59487344 ?-?-? 2.089 62.666 4.096 35397196 ?-?-? 0.947 62.635 4.097 72315584 ?-?-? 1.515 38.546 1.885 29044976 ?-?-? 1.204 38.548 1.893 24111300 ?-?-? 0.897 38.540 1.846 67337032 ?-?-? 1.474 38.618 1.839 17833368 ?-?-? 4.047 62.565 4.046 3037382400 ?-?-? 2.061 62.581 4.044 25410928 ?-?-? 0.919 62.475 4.054 59178356 ?-?-? 4.568 38.879 2.955 27283662 ?-?-? 2.015 62.847 4.413 61643000 ?-?-? 1.888 62.876 4.414 77684496 ?-?-? 2.171 62.872 4.366 54209736 ?-?-? 1.683 62.960 4.367 21127398 ?-?-? 1.357 62.983 4.372 19118970 ?-?-? 2.095 62.951 4.011 29007164 ?-?-? 0.936 62.948 4.010 87323736 ?-?-? 4.562 38.938 2.999 25955964 ?-?-? 4.560 39.210 2.872 27511478 ?-?-? 7.082 39.192 2.871 73301400 ?-?-? 8.193 39.194 2.873 30815004 ?-?-? 4.568 39.317 3.034 41809636 ?-?-? 7.252 39.389 3.034 12458065 ?-?-? 8.113 39.383 3.034 24472684 ?-?-? 7.083 39.190 3.047 41405848 ?-?-? 8.200 39.212 3.044 25547084 ?-?-? 4.663 63.574 3.632 36468732 ?-?-? 7.962 63.555 3.632 20947124 ?-?-? 4.659 63.521 3.772 27669116 ?-?-? 4.673 39.832 3.188 18345934 ?-?-? 7.258 39.588 3.192 15998439 ?-?-? 4.375 63.755 3.927 40008932 ?-?-? 8.145 63.755 3.927 26227712 ?-?-? 4.690 39.982 3.142 18026320 ?-?-? 4.679 39.927 2.959 31242320 ?-?-? 7.242 39.986 2.958 28714752 ?-?-? 8.296 39.976 2.953 41379824 ?-?-? 8.391 39.865 2.968 25463046 ?-?-? 8.114 63.915 3.886 27551016 ?-?-? 8.336 63.965 3.888 35359312 ?-?-? 4.460 64.283 3.771 53863128 ?-?-? 8.257 64.181 3.766 25659368 ?-?-? 4.447 64.100 3.843 89158176 ?-?-? 8.347 64.112 3.848 42682772 ?-?-? 8.309 64.122 3.843 44197696 ?-?-? 8.305 40.834 2.491 47300184 ?-?-? 8.406 41.074 2.604 38910684 ?-?-? 8.398 41.106 2.693 29862368 ?-?-? 8.414 65.414 3.643 25722680 ?-?-? 1.894 17.580 0.897 199238848 ?-?-? 4.192 17.530 0.904 61802624 ?-?-? 4.099 17.463 0.906 66445576 ?-?-? 8.228 17.441 0.900 48481008 ?-?-? 0.895 41.826 1.761 34581824 ?-?-? 4.073 41.792 1.760 21469444 ?-?-? 4.157 41.779 1.758 20145928 ?-?-? 7.983 41.800 1.756 16987182 ?-?-? 8.339 41.798 1.758 43014588 ?-?-? 4.375 42.282 1.678 22470174 ?-?-? 8.201 42.254 1.678 29976226 ?-?-? 3.791 18.264 1.349 50244784 ?-?-? 8.088 18.243 1.351 58877104 ?-?-? 8.245 18.188 1.347 147886880 ?-?-? 8.319 18.352 1.352 94344768 ?-?-? 0.921 42.385 1.629 61724908 ?-?-? 0.918 42.377 1.567 68517840 ?-?-? 4.356 42.364 1.564 53929436 ?-?-? 4.286 42.383 1.574 51379380 ?-?-? 4.281 42.406 1.620 43872112 ?-?-? 4.351 42.416 1.629 30602068 ?-?-? 7.946 42.340 1.632 48423716 ?-?-? 7.948 42.344 1.575 38776400 ?-?-? 8.308 42.496 1.623 37557760 ?-?-? 8.306 42.509 1.579 32460560 ?-?-? 4.138 18.604 1.464 79710920 ?-?-? 7.981 18.621 1.464 148197472 ?-?-? 4.261 19.026 1.271 69082248 ?-?-? 8.147 19.002 1.272 40535172 ?-?-? 8.110 18.975 1.410 113312336 ?-?-? 8.244 18.972 1.406 125423616 ?-?-? 8.401 19.133 1.391 73147776 ?-?-? 8.177 19.100 1.389 64774608 ?-?-? 8.305 19.327 1.371 115293984 ?-?-? 8.395 19.274 1.375 60900560 ?-?-? 1.845 43.468 3.198 73159616 ?-?-? 1.813 43.439 3.199 64328452 ?-?-? 1.695 43.492 3.201 79927232 ?-?-? 7.251 43.451 3.198 25415248 ?-?-? 2.024 20.218 0.831 69153152 ?-?-? 4.063 20.282 0.830 32543012 ?-?-? 7.950 20.265 0.832 47969896 ?-?-? 4.071 21.165 0.841 66829760 ?-?-? 4.139 21.174 0.941 55514064 ?-?-? 3.633 21.147 1.145 30179520 ?-?-? 3.926 21.110 1.145 47753396 ?-?-? 4.473 21.159 1.145 34319676 ?-?-? 8.431 45.425 3.968 120163616 ?-?-? 7.960 45.386 3.967 111858480 ?-?-? 8.229 45.539 3.889 36109872 ?-?-? 8.154 45.549 3.893 18814514 ?-?-? 8.080 45.652 3.942 36502264 ?-?-? 8.323 45.608 3.942 74316696 ?-?-? 4.340 21.585 1.178 34950024 ?-?-? 8.372 21.939 1.315 88336576 ?-?-? 8.684 21.951 1.317 16006708 ?-?-? 8.220 69.969 4.186 41879552 ?-?-? 3.931 70.314 3.931 2838829312 ?-?-? 4.474 70.292 3.929 24884836 ?-?-? 7.892 46.318 3.931 30302288 ?-?-? 1.572 23.433 0.846 224559104 ?-?-? 4.414 23.453 0.870 53436816 ?-?-? 1.664 23.395 0.907 63791464 ?-?-? 4.645 23.433 0.906 56997260 ?-?-? 1.854 24.748 1.851 653349632 ?-?-? 1.640 24.850 0.918 189460784 ?-?-? 1.943 50.121 3.482 59458740 ?-?-? 1.827 50.097 3.487 26875988 ?-?-? 1.933 50.120 3.570 49635800 ?-?-? 1.848 50.115 3.572 36144692 ?-?-? 1.536 50.490 3.630 26249448 ?-?-? 4.579 50.433 3.624 320598592 ?-?-? 0.864 27.016 1.618 58392768 ?-?-? 4.268 27.191 1.605 26502258 ?-?-? 3.197 27.345 1.598 55691604 ?-?-? 7.946 27.001 1.613 14339420 ?-?-? 8.195 26.959 1.621 27586182 ?-?-? 8.322 27.020 1.665 33609504 ?-?-? 1.873 27.399 1.190 32309934 ?-?-? 4.117 27.504 1.192 24005812 ?-?-? 8.224 27.356 1.195 28634270 ?-?-? 8.229 27.369 1.483 30397034 ?-?-? 8.326 52.333 4.284 259735376 ?-?-? 8.194 52.256 4.281 160538608 ?-?-? 8.396 52.320 4.280 56354248 ?-?-? 1.998 28.282 1.608 26410416 ?-?-? 0.831 28.272 1.606 43250872 ?-?-? 3.887 28.303 1.602 16295990 ?-?-? 8.234 28.272 1.601 43585580 ?-?-? 0.828 28.244 1.151 30982524 ?-?-? 3.877 28.310 1.149 20024428 ?-?-? 8.227 28.374 1.148 11575092 ?-?-? 7.941 53.045 4.277 54098616 ?-?-? 8.107 53.022 4.277 116940480 ?-?-? 8.252 53.079 4.271 83593616 ?-?-? 2.349 29.438 2.177 177697152 ?-?-? 3.813 29.629 2.035 47148616 ?-?-? 4.233 29.688 2.045 16210732 ?-?-? 4.399 29.584 2.046 15419752 ?-?-? 4.608 29.677 2.046 31682100 ?-?-? 8.362 29.650 2.042 36668552 ?-?-? 8.428 29.566 2.041 35388348 ?-?-? 2.320 29.591 1.879 161007488 ?-?-? 3.688 29.617 1.880 38123520 ?-?-? 3.807 29.592 1.883 17721028 ?-?-? 4.411 29.610 1.876 19898804 ?-?-? 8.350 29.674 1.889 65189260 ?-?-? 8.427 29.576 1.878 95666496 ?-?-? 2.002 29.460 1.998 4243949312 ?-?-? 4.057 29.479 1.996 60725140 ?-?-? 8.025 29.504 1.998 21399194 ?-?-? 8.262 29.271 2.003 23476752 ?-?-? 8.568 29.523 1.994 57961328 ?-?-? 3.191 53.830 4.200 10539638 ?-?-? 1.795 53.888 4.202 15837396 ?-?-? 7.983 53.930 4.202 50863720 ?-?-? 8.093 53.833 4.202 12556837 ?-?-? 3.624 30.478 2.028 16173932 ?-?-? 8.277 30.145 2.037 54832884 ?-?-? 4.256 30.150 1.960 67938848 ?-?-? 4.321 30.160 1.959 23891080 ?-?-? 8.274 6.057 1.959 62334300 ?-?-? 3.794 54.264 4.548 103316504 ?-?-? 3.684 54.309 4.546 120456240 ?-?-? 2.050 54.350 4.550 22112056 ?-?-? 1.885 54.199 4.547 33356276 ?-?-? 8.419 54.290 4.548 14810645 ?-?-? 8.088 54.150 4.587 11995011 ?-?-? 8.208 54.187 4.587 23464776 ?-?-? 8.311 54.371 4.591 18371084 ?-?-? 2.708 54.369 4.587 27772116 ?-?-? 2.600 54.193 4.589 13120437 ?-?-? 3.815 30.409 2.029 23251668 ?-?-? 1.855 30.903 1.853 2088470912 ?-?-? 1.606 30.809 1.855 130591552 ?-?-? 4.260 30.747 1.852 43452600 ?-?-? 8.094 30.597 1.855 63111632 ?-?-? 8.198 30.913 1.850 23818930 ?-?-? 8.294 55.010 4.431 13685953 ?-?-? 8.127 55.026 4.432 69265728 ?-?-? 1.605 55.013 4.434 15645229 ?-?-? 1.643 55.139 4.363 26828928 ?-?-? 1.561 55.114 4.363 48788676 ?-?-? 0.937 55.174 4.365 13072557 ?-?-? 0.849 55.128 4.363 38107840 ?-?-? 8.016 55.314 4.369 52998988 ?-?-? 8.186 55.139 4.368 29142616 ?-?-? 8.256 55.077 4.365 31223242 ?-?-? 8.323 55.078 4.360 103242224 ?-?-? 1.585 55.318 4.288 71719368 ?-?-? 0.861 55.323 4.287 34467720 ?-?-? 7.945 55.293 4.285 82423592 ?-?-? 8.341 55.139 4.288 46352560 ?-?-? 8.453 55.368 4.294 146615664 ?-?-? 2.140 55.519 4.396 22678640 ?-?-? 1.659 55.501 4.387 23387308 ?-?-? 8.341 55.497 4.395 75742312 ?-?-? 8.380 55.918 4.365 18846696 ?-?-? 8.305 56.043 4.370 13419549 ?-?-? 8.229 56.447 4.372 106182952 ?-?-? 0.893 32.025 2.616 24099840 ?-?-? 8.676 32.052 2.613 23262448 ?-?-? 3.657 32.106 2.272 33982928 ?-?-? 8.323 32.079 2.283 23619128 ?-?-? 8.407 32.101 2.278 43526752 ?-?-? 8.208 32.065 2.260 16603440 ?-?-? 2.257 32.066 2.259 9565896704 ?-?-? 2.001 32.066 2.003 1024050000 ?-?-? 3.799 32.162 2.006 20081216 ?-?-? 8.327 32.091 1.893 27468704 ?-?-? 8.412 32.096 1.894 58007192 ?-?-? 8.097 32.048 1.688 13545490 ?-?-? 8.299 56.197 4.301 148972192 ?-?-? 8.328 56.242 4.263 234017152 ?-?-? 8.418 56.404 4.262 77439424 ?-?-? 8.197 56.115 4.283 72523704 ?-?-? 1.842 56.606 4.262 46937096 ?-?-? 1.764 56.554 4.264 32600776 ?-?-? 1.604 56.562 4.261 28332320 ?-?-? 1.963 56.451 4.255 27579200 ?-?-? 8.567 56.680 4.251 26204278 ?-?-? 8.160 56.761 4.251 111308800 ?-?-? 1.859 56.620 4.162 26845782 ?-?-? 1.740 56.810 4.163 33839196 ?-?-? 1.550 56.802 4.163 34554812 ?-?-? 0.872 56.802 4.163 84732744 ?-?-? 7.987 56.797 4.166 17397916 ?-?-? 8.341 56.688 4.160 45407784 ?-?-? 8.409 56.591 4.161 23503860 ?-?-? 8.199 32.798 2.098 21781968 ?-?-? 8.432 32.781 2.090 16909750 ?-?-? 0.838 32.820 2.015 79322824 ?-?-? 4.062 32.829 2.014 22856704 ?-?-? 7.950 56.857 2.017 26089268 ?-?-? 4.300 56.814 4.300 2925009920 ?-?-? 8.281 56.962 4.307 59335860 ?-?-? 8.517 56.860 4.302 21818896 ?-?-? 8.085 57.003 4.248 110882784 ?-?-? 8.263 57.067 4.190 133374776 ?-?-? 8.010 58.192 4.133 41609648 ?-?-? 8.226 58.212 4.131 27710284 ?-?-? 8.318 58.469 4.449 30607810 ?-?-? 8.160 58.708 4.383 39961912 ?-?-? 8.020 59.031 4.064 23808886 ?-?-? 8.338 59.049 4.064 13318462 ?-?-? 8.564 59.027 4.063 45727744 ?-?-? 8.320 60.884 4.108 276747424 ?-?-? 8.219 60.835 4.108 23266834 ?-?-? 8.067 61.182 4.177 20488690 ?-?-? 8.405 61.176 4.177 184211040 ?-?-? 8.215 61.677 4.377 105136600 ?-?-? 8.684 61.309 4.372 71296528 ?-?-? 8.300 61.557 4.326 146203920 ?-?-? 7.947 62.180 4.066 25438182 ?-?-? 8.266 62.108 4.073 263365296 ?-?-? 8.322 62.200 4.068 146293440 ?-?-? 8.095 62.058 4.030 22005252 ?-?-? 8.287 62.047 4.032 244976800 ?-?-? 7.957 62.458 4.150 24737564 ?-?-? 8.429 62.455 4.150 213982352 ?-?-? 8.012 62.692 4.097 28022584 ?-?-? 8.432 62.657 4.098 106911800 ?-?-? 8.158 62.602 4.048 21431180 ?-?-? 8.260 62.573 4.047 193994464 ?-?-? 8.208 63.058 4.430 254670400 ?-?-? 8.418 62.847 4.405 329168960 ?-?-? 7.109 38.933 2.956 62463536 ?-?-? 7.108 38.953 3.002 52396952 ?-?-? 8.322 38.893 3.001 27222458 ?-?-? 8.317 38.987 2.959 29149958 ?-?-? 8.433 35.633 2.330 29375592 ?-?-? 8.358 35.645 2.323 31864280 ?-?-? 8.082 62.889 4.010 28904908 ?-?-? 8.215 62.903 4.011 95289296 ?-?-? 8.316 62.828 4.374 191553152 ?-?-? 8.100 62.837 4.364 167992144 ?-?-? 4.496 21.936 1.314 124859360 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . 11.0000 ppm . . . 4.700 . . 30773 2 2 . . C 13 C . aliased 24.0000 ppm . . . 43.000 . . 30773 2 3 . . H 1 H . . 18.0247 ppm . . . 4.700 . . 30773 2 stop_ save_