data_51093 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51093 _Entry.Title ; Backbone 1H, 13C and 15N Chemical Shift Assignments of GB1_pSu9(1-69) construct ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-22 _Entry.Accession_date 2021-09-22 _Entry.Last_release_date 2022-03-11 _Entry.Original_release_date 2022-03-11 _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 _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 Paul Schanda . . . 0000-0002-9350-7606 51093 2 Iva Sucec . . . 0000-0002-1192-7800 51093 3 Antoine Feignier . . . . 51093 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51093 spectral_peak_list 7 51093 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 353 51093 '15N chemical shifts' 122 51093 '1H chemical shifts' 122 51093 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-03-21 . original BMRB . 51093 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51093 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone 1H, 13C and 15N Chemical Shift Assignments of GB1_pSu9(1-69) construct ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Paul Schanda . . . . 51093 1 2 Iva Sucec . . . . 51093 1 3 Antoine Feignier . . . . 51093 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51093 _Assembly.ID 1 _Assembly.Name GB1_pSu9(1-69) _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 16570 _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 GB1_pSu9(1-69) 1 $entity_1 . . yes native no no . . . 51093 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51093 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HHHHHHPMKQYKLILNGKTL KGETTTEAVDAATAEKVFKQ YANDNGVDGEWTYDDATKTF TVTEGSGSGSENLYFQGHMA STRVLASRLASQMAASAKVA RPAVRVAQVSKRTIQTGSPL QTLKRTQMTSIVNATTRQAF QKRAYSSLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 149 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Pre-sequence of mitochondrial matrix targetted precursor proteins.' 51093 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 . HIS . 51093 1 2 . HIS . 51093 1 3 . HIS . 51093 1 4 . HIS . 51093 1 5 . HIS . 51093 1 6 . HIS . 51093 1 7 . PRO . 51093 1 8 . MET . 51093 1 9 . LYS . 51093 1 10 . GLN . 51093 1 11 . TYR . 51093 1 12 . LYS . 51093 1 13 . LEU . 51093 1 14 . ILE . 51093 1 15 . LEU . 51093 1 16 . ASN . 51093 1 17 . GLY . 51093 1 18 . LYS . 51093 1 19 . THR . 51093 1 20 . LEU . 51093 1 21 . LYS . 51093 1 22 . GLY . 51093 1 23 . GLU . 51093 1 24 . THR . 51093 1 25 . THR . 51093 1 26 . THR . 51093 1 27 . GLU . 51093 1 28 . ALA . 51093 1 29 . VAL . 51093 1 30 . ASP . 51093 1 31 . ALA . 51093 1 32 . ALA . 51093 1 33 . THR . 51093 1 34 . ALA . 51093 1 35 . GLU . 51093 1 36 . LYS . 51093 1 37 . VAL . 51093 1 38 . PHE . 51093 1 39 . LYS . 51093 1 40 . GLN . 51093 1 41 . TYR . 51093 1 42 . ALA . 51093 1 43 . ASN . 51093 1 44 . ASP . 51093 1 45 . ASN . 51093 1 46 . GLY . 51093 1 47 . VAL . 51093 1 48 . ASP . 51093 1 49 . GLY . 51093 1 50 . GLU . 51093 1 51 . TRP . 51093 1 52 . THR . 51093 1 53 . TYR . 51093 1 54 . ASP . 51093 1 55 . ASP . 51093 1 56 . ALA . 51093 1 57 . THR . 51093 1 58 . LYS . 51093 1 59 . THR . 51093 1 60 . PHE . 51093 1 61 . THR . 51093 1 62 . VAL . 51093 1 63 . THR . 51093 1 64 . GLU . 51093 1 65 . GLY . 51093 1 66 . SER . 51093 1 67 . GLY . 51093 1 68 . SER . 51093 1 69 . GLY . 51093 1 70 . SER . 51093 1 71 . GLU . 51093 1 72 . ASN . 51093 1 73 . LEU . 51093 1 74 . TYR . 51093 1 75 . PHE . 51093 1 76 . GLN . 51093 1 77 . GLY . 51093 1 78 . HIS . 51093 1 79 . MET . 51093 1 80 . ALA . 51093 1 81 . SER . 51093 1 82 . THR . 51093 1 83 . ARG . 51093 1 84 . VAL . 51093 1 85 . LEU . 51093 1 86 . ALA . 51093 1 87 . SER . 51093 1 88 . ARG . 51093 1 89 . LEU . 51093 1 90 . ALA . 51093 1 91 . SER . 51093 1 92 . GLN . 51093 1 93 . MET . 51093 1 94 . ALA . 51093 1 95 . ALA . 51093 1 96 . SER . 51093 1 97 . ALA . 51093 1 98 . LYS . 51093 1 99 . VAL . 51093 1 100 . ALA . 51093 1 101 . ARG . 51093 1 102 . PRO . 51093 1 103 . ALA . 51093 1 104 . VAL . 51093 1 105 . ARG . 51093 1 106 . VAL . 51093 1 107 . ALA . 51093 1 108 . GLN . 51093 1 109 . VAL . 51093 1 110 . SER . 51093 1 111 . LYS . 51093 1 112 . ARG . 51093 1 113 . THR . 51093 1 114 . ILE . 51093 1 115 . GLN . 51093 1 116 . THR . 51093 1 117 . GLY . 51093 1 118 . SER . 51093 1 119 . PRO . 51093 1 120 . LEU . 51093 1 121 . GLN . 51093 1 122 . THR . 51093 1 123 . LEU . 51093 1 124 . LYS . 51093 1 125 . ARG . 51093 1 126 . THR . 51093 1 127 . GLN . 51093 1 128 . MET . 51093 1 129 . THR . 51093 1 130 . SER . 51093 1 131 . ILE . 51093 1 132 . VAL . 51093 1 133 . ASN . 51093 1 134 . ALA . 51093 1 135 . THR . 51093 1 136 . THR . 51093 1 137 . ARG . 51093 1 138 . GLN . 51093 1 139 . ALA . 51093 1 140 . PHE . 51093 1 141 . GLN . 51093 1 142 . LYS . 51093 1 143 . ARG . 51093 1 144 . ALA . 51093 1 145 . TYR . 51093 1 146 . SER . 51093 1 147 . SER . 51093 1 148 . LEU . 51093 1 149 . GLU . 51093 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 . HIS 1 1 51093 1 . HIS 2 2 51093 1 . HIS 3 3 51093 1 . HIS 4 4 51093 1 . HIS 5 5 51093 1 . HIS 6 6 51093 1 . PRO 7 7 51093 1 . MET 8 8 51093 1 . LYS 9 9 51093 1 . GLN 10 10 51093 1 . TYR 11 11 51093 1 . LYS 12 12 51093 1 . LEU 13 13 51093 1 . ILE 14 14 51093 1 . LEU 15 15 51093 1 . ASN 16 16 51093 1 . GLY 17 17 51093 1 . LYS 18 18 51093 1 . THR 19 19 51093 1 . LEU 20 20 51093 1 . LYS 21 21 51093 1 . GLY 22 22 51093 1 . GLU 23 23 51093 1 . THR 24 24 51093 1 . THR 25 25 51093 1 . THR 26 26 51093 1 . GLU 27 27 51093 1 . ALA 28 28 51093 1 . VAL 29 29 51093 1 . ASP 30 30 51093 1 . ALA 31 31 51093 1 . ALA 32 32 51093 1 . THR 33 33 51093 1 . ALA 34 34 51093 1 . GLU 35 35 51093 1 . LYS 36 36 51093 1 . VAL 37 37 51093 1 . PHE 38 38 51093 1 . LYS 39 39 51093 1 . GLN 40 40 51093 1 . TYR 41 41 51093 1 . ALA 42 42 51093 1 . ASN 43 43 51093 1 . ASP 44 44 51093 1 . ASN 45 45 51093 1 . GLY 46 46 51093 1 . VAL 47 47 51093 1 . ASP 48 48 51093 1 . GLY 49 49 51093 1 . GLU 50 50 51093 1 . TRP 51 51 51093 1 . THR 52 52 51093 1 . TYR 53 53 51093 1 . ASP 54 54 51093 1 . ASP 55 55 51093 1 . ALA 56 56 51093 1 . THR 57 57 51093 1 . LYS 58 58 51093 1 . THR 59 59 51093 1 . PHE 60 60 51093 1 . THR 61 61 51093 1 . VAL 62 62 51093 1 . THR 63 63 51093 1 . GLU 64 64 51093 1 . GLY 65 65 51093 1 . SER 66 66 51093 1 . GLY 67 67 51093 1 . SER 68 68 51093 1 . GLY 69 69 51093 1 . SER 70 70 51093 1 . GLU 71 71 51093 1 . ASN 72 72 51093 1 . LEU 73 73 51093 1 . TYR 74 74 51093 1 . PHE 75 75 51093 1 . GLN 76 76 51093 1 . GLY 77 77 51093 1 . HIS 78 78 51093 1 . MET 79 79 51093 1 . ALA 80 80 51093 1 . SER 81 81 51093 1 . THR 82 82 51093 1 . ARG 83 83 51093 1 . VAL 84 84 51093 1 . LEU 85 85 51093 1 . ALA 86 86 51093 1 . SER 87 87 51093 1 . ARG 88 88 51093 1 . LEU 89 89 51093 1 . ALA 90 90 51093 1 . SER 91 91 51093 1 . GLN 92 92 51093 1 . MET 93 93 51093 1 . ALA 94 94 51093 1 . ALA 95 95 51093 1 . SER 96 96 51093 1 . ALA 97 97 51093 1 . LYS 98 98 51093 1 . VAL 99 99 51093 1 . ALA 100 100 51093 1 . ARG 101 101 51093 1 . PRO 102 102 51093 1 . ALA 103 103 51093 1 . VAL 104 104 51093 1 . ARG 105 105 51093 1 . VAL 106 106 51093 1 . ALA 107 107 51093 1 . GLN 108 108 51093 1 . VAL 109 109 51093 1 . SER 110 110 51093 1 . LYS 111 111 51093 1 . ARG 112 112 51093 1 . THR 113 113 51093 1 . ILE 114 114 51093 1 . GLN 115 115 51093 1 . THR 116 116 51093 1 . GLY 117 117 51093 1 . SER 118 118 51093 1 . PRO 119 119 51093 1 . LEU 120 120 51093 1 . GLN 121 121 51093 1 . THR 122 122 51093 1 . LEU 123 123 51093 1 . LYS 124 124 51093 1 . ARG 125 125 51093 1 . THR 126 126 51093 1 . GLN 127 127 51093 1 . MET 128 128 51093 1 . THR 129 129 51093 1 . SER 130 130 51093 1 . ILE 131 131 51093 1 . VAL 132 132 51093 1 . ASN 133 133 51093 1 . ALA 134 134 51093 1 . THR 135 135 51093 1 . THR 136 136 51093 1 . ARG 137 137 51093 1 . GLN 138 138 51093 1 . ALA 139 139 51093 1 . PHE 140 140 51093 1 . GLN 141 141 51093 1 . LYS 142 142 51093 1 . ARG 143 143 51093 1 . ALA 144 144 51093 1 . TYR 145 145 51093 1 . SER 146 146 51093 1 . SER 147 147 51093 1 . LEU 148 148 51093 1 . GLU 149 149 51093 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51093 _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 . 5141 organism . 'Neurospora crassa' 'Neurospora crassa' . . Eukaryota Fungi Neurospora crassa . . . . . . . . . . . . . 51093 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51093 _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' . . . Escherichia coli 'BL21 (DE3)' . . plasmid . . pET_GB1_pSu9(1-69) . . . 51093 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51093 _Sample.ID 1 _Sample.Name '13C 15N GB1_pSu9(1-69)' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GB1_pSu9(1-69) '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 698 . . uM . . . . 51093 1 2 H2O 'natural abundance' . . . . . . 55.5 . . M . . . . 51093 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 51093 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51093 1 5 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 51093 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51093 _Sample_condition_list.ID 1 _Sample_condition_list.Name 20deg_pH7_GB1_pSu9(1-69) _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 pH 7 . pH 51093 1 temperature 293.15 . K 51093 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 51093 _Sample_condition_list.ID 2 _Sample_condition_list.Name 25degC_pH7_GB1_pSu9(1-69) _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 pH 7 . pH 51093 2 temperature 298.15 . K 51093 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 51093 _Sample_condition_list.ID 3 _Sample_condition_list.Name 27degC_pH7_GB1_pSu9(1-69) _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 pH 7 . pH 51093 3 temperature 300.15 . K 51093 3 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51093 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51093 1 processing . 51093 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51093 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51093 2 'peak picking' . 51093 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51093 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51093 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51093 _Software.ID 4 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51093 4 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 51093 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 700MHz_cryo _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Ascend _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51093 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 600MHz_cryo _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Ascend _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51093 _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 TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51093 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51093 1 3 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51093 1 4 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51093 1 5 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51093 1 6 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51093 1 7 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51093 1 8 HncocaNH no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51093 1 9 HncacoNH no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51093 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 51093 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name water_referencing _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 water protons . . . . ppm 4.7 internal indirect . . . . . . 51093 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 51093 1 N 15 water protons . . . . ppm 4.7 internal indirect . . . . . . 51093 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 51093 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name default_chemical_shift_list_GB1_pSu9(1-69) _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 TROSY' . . . 51093 1 2 '3D HNCO' . . . 51093 1 3 '3D HN(CA)CO' . . . 51093 1 4 '3D HN(CO)CACB' . . . 51093 1 5 '3D HNCA' . . . 51093 1 6 '3D HNCACB' . . . 51093 1 7 '3D HN(CO)CA' . . . 51093 1 8 HncocaNH . . . 51093 1 9 HncacoNH . . . 51093 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51093 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 8 8 MET H H 1 8.276268945 0.007260208316 . . . . . . . 8 MET H . 51093 1 2 . 1 . 1 8 8 MET C C 13 175.992025 0.008031298144 . . . . . . . 8 MET C . 51093 1 3 . 1 . 1 8 8 MET CA C 13 55.1991768 0 . . . . . . . 8 MET CA . 51093 1 4 . 1 . 1 8 8 MET CB C 13 34.79208953 0 . . . . . . . 8 MET CB . 51093 1 5 . 1 . 1 8 8 MET N N 15 120.146711 0.02694024143 . . . . . . . 8 MET N . 51093 1 6 . 1 . 1 9 9 LYS H H 1 8.304165474 0.0000001192092896 . . . . . . . 9 LYS H . 51093 1 7 . 1 . 1 9 9 LYS C C 13 173.988979 0.005888583292 . . . . . . . 9 LYS C . 51093 1 8 . 1 . 1 9 9 LYS CA C 13 54.91114069 0.07624898185 . . . . . . . 9 LYS CA . 51093 1 9 . 1 . 1 9 9 LYS CB C 13 34.90898025 0 . . . . . . . 9 LYS CB . 51093 1 10 . 1 . 1 9 9 LYS N N 15 122.8285091 0.000004046097457 . . . . . . . 9 LYS N . 51093 1 11 . 1 . 1 10 10 GLN H H 1 7.933201208 0.002202887565 . . . . . . . 10 GLN H . 51093 1 12 . 1 . 1 10 10 GLN C C 13 175.0912913 0.01039035411 . . . . . . . 10 GLN C . 51093 1 13 . 1 . 1 10 10 GLN CA C 13 55.57761258 0 . . . . . . . 10 GLN CA . 51093 1 14 . 1 . 1 10 10 GLN CB C 13 30.79428104 0 . . . . . . . 10 GLN CB . 51093 1 15 . 1 . 1 10 10 GLN N N 15 119.5752882 0.0568190694 . . . . . . . 10 GLN N . 51093 1 16 . 1 . 1 11 11 TYR H H 1 9.029757312 0.004082912226 . . . . . . . 11 TYR H . 51093 1 17 . 1 . 1 11 11 TYR C C 13 174.7783035 0.002575189082 . . . . . . . 11 TYR C . 51093 1 18 . 1 . 1 11 11 TYR CA C 13 57.31149922 0 . . . . . . . 11 TYR CA . 51093 1 19 . 1 . 1 11 11 TYR CB C 13 43.45532177 0 . . . . . . . 11 TYR CB . 51093 1 20 . 1 . 1 11 11 TYR N N 15 125.2300032 0.03393794925 . . . . . . . 11 TYR N . 51093 1 21 . 1 . 1 12 12 LYS H H 1 8.993774886 0.008004618047 . . . . . . . 12 LYS H . 51093 1 22 . 1 . 1 12 12 LYS C C 13 172.7907812 0.0002288818359 . . . . . . . 12 LYS C . 51093 1 23 . 1 . 1 12 12 LYS CA C 13 55.21713808 0.01016578873 . . . . . . . 12 LYS CA . 51093 1 24 . 1 . 1 12 12 LYS CB C 13 36.19631641 0.05686124841 . . . . . . . 12 LYS CB . 51093 1 25 . 1 . 1 12 12 LYS N N 15 123.1637284 0.02057075947 . . . . . . . 12 LYS N . 51093 1 26 . 1 . 1 13 13 LEU H H 1 8.523451387 0.002482558527 . . . . . . . 13 LEU H . 51093 1 27 . 1 . 1 13 13 LEU C C 13 174.5255703 0.0002288818359 . . . . . . . 13 LEU C . 51093 1 28 . 1 . 1 13 13 LEU CA C 13 52.79117588 0 . . . . . . . 13 LEU CA . 51093 1 29 . 1 . 1 13 13 LEU CB C 13 42.81026967 0 . . . . . . . 13 LEU CB . 51093 1 30 . 1 . 1 13 13 LEU N N 15 127.1881623 0.01691709378 . . . . . . . 13 LEU N . 51093 1 31 . 1 . 1 14 14 ILE H H 1 8.946591558 0.007998573059 . . . . . . . 14 ILE H . 51093 1 32 . 1 . 1 14 14 ILE C C 13 174.633697 0.01942035141 . . . . . . . 14 ILE C . 51093 1 33 . 1 . 1 14 14 ILE CA C 13 60.39521172 0 . . . . . . . 14 ILE CA . 51093 1 34 . 1 . 1 14 14 ILE CB C 13 38.25508082 0 . . . . . . . 14 ILE CB . 51093 1 35 . 1 . 1 14 14 ILE N N 15 126.8879571 0.04976998066 . . . . . . . 14 ILE N . 51093 1 36 . 1 . 1 15 15 LEU H H 1 8.596389247 0.0099161838 . . . . . . . 15 LEU H . 51093 1 37 . 1 . 1 15 15 LEU C C 13 174.8084589 0.07375927361 . . . . . . . 15 LEU C . 51093 1 38 . 1 . 1 15 15 LEU CA C 13 54.53913609 0 . . . . . . . 15 LEU CA . 51093 1 39 . 1 . 1 15 15 LEU CB C 13 42.38664712 0 . . . . . . . 15 LEU CB . 51093 1 40 . 1 . 1 15 15 LEU N N 15 126.5203807 0.012797152 . . . . . . . 15 LEU N . 51093 1 41 . 1 . 1 16 16 ASN H H 1 8.710451726 0.007806815767 . . . . . . . 16 ASN H . 51093 1 42 . 1 . 1 16 16 ASN C C 13 175.3895217 0.01414644581 . . . . . . . 16 ASN C . 51093 1 43 . 1 . 1 16 16 ASN CA C 13 51.29460575 0 . . . . . . . 16 ASN CA . 51093 1 44 . 1 . 1 16 16 ASN CB C 13 38.28234051 0.0000004768371582 . . . . . . . 16 ASN CB . 51093 1 45 . 1 . 1 16 16 ASN N N 15 126.1564785 0.06433905173 . . . . . . . 16 ASN N . 51093 1 46 . 1 . 1 17 17 GLY H H 1 7.802678947 0.006055471345 . . . . . . . 17 GLY H . 51093 1 47 . 1 . 1 17 17 GLY C C 13 173.3404917 0.000322070939 . . . . . . . 17 GLY C . 51093 1 48 . 1 . 1 17 17 GLY CA C 13 44.83409448 0 . . . . . . . 17 GLY CA . 51093 1 49 . 1 . 1 17 17 GLY N N 15 110.608193 0.03466577624 . . . . . . . 17 GLY N . 51093 1 50 . 1 . 1 18 18 LYS H H 1 9.138037374 0.006076326483 . . . . . . . 18 LYS H . 51093 1 51 . 1 . 1 18 18 LYS C C 13 178.7053934 0.009451569343 . . . . . . . 18 LYS C . 51093 1 52 . 1 . 1 18 18 LYS CA C 13 59.2376094 0 . . . . . . . 18 LYS CA . 51093 1 53 . 1 . 1 18 18 LYS CB C 13 32.6910539 0 . . . . . . . 18 LYS CB . 51093 1 54 . 1 . 1 18 18 LYS N N 15 121.7872344 0.04961970137 . . . . . . . 18 LYS N . 51093 1 55 . 1 . 1 19 19 THR H H 1 8.707040736 0.003175307325 . . . . . . . 19 THR H . 51093 1 56 . 1 . 1 19 19 THR C C 13 173.798099 0.01113871172 . . . . . . . 19 THR C . 51093 1 57 . 1 . 1 19 19 THR CA C 13 62.08448515 0 . . . . . . . 19 THR CA . 51093 1 58 . 1 . 1 19 19 THR CB C 13 69.77665211 0 . . . . . . . 19 THR CB . 51093 1 59 . 1 . 1 19 19 THR N N 15 109.3898548 0.05622561169 . . . . . . . 19 THR N . 51093 1 60 . 1 . 1 20 20 LEU H H 1 7.206304539 0.005754349229 . . . . . . . 20 LEU H . 51093 1 61 . 1 . 1 20 20 LEU C C 13 173.3759198 0.005974694318 . . . . . . . 20 LEU C . 51093 1 62 . 1 . 1 20 20 LEU CA C 13 55.23431905 0 . . . . . . . 20 LEU CA . 51093 1 63 . 1 . 1 20 20 LEU CB C 13 43.76165757 0 . . . . . . . 20 LEU CB . 51093 1 64 . 1 . 1 20 20 LEU N N 15 125.5671463 0.02795760142 . . . . . . . 20 LEU N . 51093 1 65 . 1 . 1 21 21 LYS H H 1 8.001900501 0.005275383178 . . . . . . . 21 LYS H . 51093 1 66 . 1 . 1 21 21 LYS C C 13 176.2323982 0.009864744989 . . . . . . . 21 LYS C . 51093 1 67 . 1 . 1 21 21 LYS CA C 13 54.05191982 0 . . . . . . . 21 LYS CA . 51093 1 68 . 1 . 1 21 21 LYS CB C 13 35.03981115 0 . . . . . . . 21 LYS CB . 51093 1 69 . 1 . 1 21 21 LYS N N 15 124.3524128 0.0245650054 . . . . . . . 21 LYS N . 51093 1 70 . 1 . 1 22 22 GLY H H 1 8.281552817 0.006597303467 . . . . . . . 22 GLY H . 51093 1 71 . 1 . 1 22 22 GLY C C 13 171.2474943 0.0006870056903 . . . . . . . 22 GLY C . 51093 1 72 . 1 . 1 22 22 GLY CA C 13 45.25953251 0 . . . . . . . 22 GLY CA . 51093 1 73 . 1 . 1 22 22 GLY N N 15 110.0703063 0.03258231293 . . . . . . . 22 GLY N . 51093 1 74 . 1 . 1 23 23 GLU H H 1 8.269743196 0.003549314956 . . . . . . . 23 GLU H . 51093 1 75 . 1 . 1 23 23 GLU C C 13 175.2345982 0.005873876065 . . . . . . . 23 GLU C . 51093 1 76 . 1 . 1 23 23 GLU CA C 13 54.66921454 0 . . . . . . . 23 GLU CA . 51093 1 77 . 1 . 1 23 23 GLU CB C 13 34.01318214 0 . . . . . . . 23 GLU CB . 51093 1 78 . 1 . 1 23 23 GLU N N 15 119.350143 0.05995277546 . . . . . . . 23 GLU N . 51093 1 79 . 1 . 1 24 24 THR H H 1 8.656449974 0.0000001192092896 . . . . . . . 24 THR H . 51093 1 80 . 1 . 1 24 24 THR C C 13 172.0156172 0.0002289295147 . . . . . . . 24 THR C . 51093 1 81 . 1 . 1 24 24 THR CA C 13 60.6880423 0 . . . . . . . 24 THR CA . 51093 1 82 . 1 . 1 24 24 THR CB C 13 69.63968331 0 . . . . . . . 24 THR CB . 51093 1 83 . 1 . 1 24 24 THR N N 15 116.7377219 0.000003015782986 . . . . . . . 24 THR N . 51093 1 84 . 1 . 1 25 25 THR H H 1 7.986583667 0.00000008429369702 . . . . . . . 25 THR H . 51093 1 85 . 1 . 1 25 25 THR C C 13 173.9901227 0.003306012398 . . . . . . . 25 THR C . 51093 1 86 . 1 . 1 25 25 THR CA C 13 60.06965538 0 . . . . . . . 25 THR CA . 51093 1 87 . 1 . 1 25 25 THR CB C 13 73.41314624 0 . . . . . . . 25 THR CB . 51093 1 88 . 1 . 1 25 25 THR N N 15 112.8212417 0.000003015782986 . . . . . . . 25 THR N . 51093 1 89 . 1 . 1 26 26 THR H H 1 8.861515831 0.01169977055 . . . . . . . 26 THR H . 51093 1 90 . 1 . 1 26 26 THR C C 13 171.2269193 0.004683156177 . . . . . . . 26 THR C . 51093 1 91 . 1 . 1 26 26 THR CA C 13 62.34815418 0 . . . . . . . 26 THR CA . 51093 1 92 . 1 . 1 26 26 THR CB C 13 70.03708153 0 . . . . . . . 26 THR CB . 51093 1 93 . 1 . 1 26 26 THR N N 15 115.4682903 0.05291481402 . . . . . . . 26 THR N . 51093 1 94 . 1 . 1 27 27 GLU H H 1 7.833527842 0.007480038277 . . . . . . . 27 GLU H . 51093 1 95 . 1 . 1 27 27 GLU C C 13 175.9571028 0.01078143303 . . . . . . . 27 GLU C . 51093 1 96 . 1 . 1 27 27 GLU CA C 13 54.82155808 0 . . . . . . . 27 GLU CA . 51093 1 97 . 1 . 1 27 27 GLU CB C 13 31.7693389 0 . . . . . . . 27 GLU CB . 51093 1 98 . 1 . 1 27 27 GLU N N 15 124.1882176 0.06316744427 . . . . . . . 27 GLU N . 51093 1 99 . 1 . 1 28 28 ALA H H 1 9.282802887 0.002085999329 . . . . . . . 28 ALA H . 51093 1 100 . 1 . 1 28 28 ALA C C 13 177.5246803 0.01103263012 . . . . . . . 28 ALA C . 51093 1 101 . 1 . 1 28 28 ALA CA C 13 51.4866443 0.01157524078 . . . . . . . 28 ALA CA . 51093 1 102 . 1 . 1 28 28 ALA CB C 13 23.61769532 0 . . . . . . . 28 ALA CB . 51093 1 103 . 1 . 1 28 28 ALA N N 15 125.0709476 0.04770375085 . . . . . . . 28 ALA N . 51093 1 104 . 1 . 1 29 29 VAL H H 1 8.624852787 0.004356826539 . . . . . . . 29 VAL H . 51093 1 105 . 1 . 1 29 29 VAL C C 13 175.0407995 0.01176589634 . . . . . . . 29 VAL C . 51093 1 106 . 1 . 1 29 29 VAL CA C 13 63.45231499 0.0000009536743164 . . . . . . . 29 VAL CA . 51093 1 107 . 1 . 1 29 29 VAL CB C 13 32.40420474 0 . . . . . . . 29 VAL CB . 51093 1 108 . 1 . 1 29 29 VAL N N 15 115.6669527 0.06668061804 . . . . . . . 29 VAL N . 51093 1 109 . 1 . 1 30 30 ASP H H 1 7.240504736 0.01666479711 . . . . . . . 30 ASP H . 51093 1 110 . 1 . 1 30 30 ASP C C 13 174.5349667 0.0008288214441 . . . . . . . 30 ASP C . 51093 1 111 . 1 . 1 30 30 ASP CA C 13 52.74533462 0 . . . . . . . 30 ASP CA . 51093 1 112 . 1 . 1 30 30 ASP CB C 13 42.13091115 0 . . . . . . . 30 ASP CB . 51093 1 113 . 1 . 1 30 30 ASP N N 15 115.6915157 0.03597811771 . . . . . . . 30 ASP N . 51093 1 114 . 1 . 1 31 31 ALA H H 1 8.122096772 0.005385684883 . . . . . . . 31 ALA H . 51093 1 115 . 1 . 1 31 31 ALA C C 13 179.1503478 0.01045022269 . . . . . . . 31 ALA C . 51093 1 116 . 1 . 1 31 31 ALA CA C 13 54.54815511 0.0000009536743164 . . . . . . . 31 ALA CA . 51093 1 117 . 1 . 1 31 31 ALA CB C 13 17.70375426 0 . . . . . . . 31 ALA CB . 51093 1 118 . 1 . 1 31 31 ALA N N 15 121.8663882 0.0524105646 . . . . . . . 31 ALA N . 51093 1 119 . 1 . 1 32 32 ALA H H 1 7.918166202 0.002428556403 . . . . . . . 32 ALA H . 51093 1 120 . 1 . 1 32 32 ALA C C 13 180.8091708 0.008326022474 . . . . . . . 32 ALA C . 51093 1 121 . 1 . 1 32 32 ALA CA C 13 54.78399172 0 . . . . . . . 32 ALA CA . 51093 1 122 . 1 . 1 32 32 ALA CB C 13 17.91737601 0 . . . . . . . 32 ALA CB . 51093 1 123 . 1 . 1 32 32 ALA N N 15 121.008822 0.04992538446 . . . . . . . 32 ALA N . 51093 1 124 . 1 . 1 33 33 THR H H 1 8.141449585 0.01250520552 . . . . . . . 33 THR H . 51093 1 125 . 1 . 1 33 33 THR C C 13 176.0997233 0.01795901731 . . . . . . . 33 THR C . 51093 1 126 . 1 . 1 33 33 THR CA C 13 66.99457588 0 . . . . . . . 33 THR CA . 51093 1 127 . 1 . 1 33 33 THR CB C 13 67.98534614 0 . . . . . . . 33 THR CB . 51093 1 128 . 1 . 1 33 33 THR N N 15 116.9741946 0.04587123113 . . . . . . . 33 THR N . 51093 1 129 . 1 . 1 34 34 ALA H H 1 6.895416575 0.01688138358 . . . . . . . 34 ALA H . 51093 1 130 . 1 . 1 34 34 ALA C C 13 177.0839559 0.01533822305 . . . . . . . 34 ALA C . 51093 1 131 . 1 . 1 34 34 ALA CA C 13 54.96947445 0 . . . . . . . 34 ALA CA . 51093 1 132 . 1 . 1 34 34 ALA CB C 13 17.47193649 0 . . . . . . . 34 ALA CB . 51093 1 133 . 1 . 1 34 34 ALA N N 15 124.2852178 0.03622687693 . . . . . . . 34 ALA N . 51093 1 134 . 1 . 1 35 35 GLU H H 1 8.243062724 0.002052548622 . . . . . . . 35 GLU H . 51093 1 135 . 1 . 1 35 35 GLU C C 13 177.2839746 0.01592698924 . . . . . . . 35 GLU C . 51093 1 136 . 1 . 1 35 35 GLU CA C 13 59.75141998 0 . . . . . . . 35 GLU CA . 51093 1 137 . 1 . 1 35 35 GLU CB C 13 29.24462026 0 . . . . . . . 35 GLU CB . 51093 1 138 . 1 . 1 35 35 GLU N N 15 117.3404228 0.04842750567 . . . . . . . 35 GLU N . 51093 1 139 . 1 . 1 36 36 LYS H H 1 6.827599496 0.01975962581 . . . . . . . 36 LYS H . 51093 1 140 . 1 . 1 36 36 LYS C C 13 179.9485434 0.01667538755 . . . . . . . 36 LYS C . 51093 1 141 . 1 . 1 36 36 LYS CA C 13 59.77129328 0 . . . . . . . 36 LYS CA . 51093 1 142 . 1 . 1 36 36 LYS CB C 13 32.32362768 0 . . . . . . . 36 LYS CB . 51093 1 143 . 1 . 1 36 36 LYS N N 15 117.3034565 0.004887400089 . . . . . . . 36 LYS N . 51093 1 144 . 1 . 1 37 37 VAL H H 1 7.162294184 0.02392927284 . . . . . . . 37 VAL H . 51093 1 145 . 1 . 1 37 37 VAL C C 13 179.7093682 0.01559835496 . . . . . . . 37 VAL C . 51093 1 146 . 1 . 1 37 37 VAL CA C 13 66.07682533 0 . . . . . . . 37 VAL CA . 51093 1 147 . 1 . 1 37 37 VAL CB C 13 31.8047206 0 . . . . . . . 37 VAL CB . 51093 1 148 . 1 . 1 37 37 VAL N N 15 121.1745615 0.004235681536 . . . . . . . 37 VAL N . 51093 1 149 . 1 . 1 38 38 PHE H H 1 8.33648726 0.01110834602 . . . . . . . 38 PHE H . 51093 1 150 . 1 . 1 38 38 PHE C C 13 178.2767373 0.0077727684 . . . . . . . 38 PHE C . 51093 1 151 . 1 . 1 38 38 PHE CA C 13 56.67336302 0 . . . . . . . 38 PHE CA . 51093 1 152 . 1 . 1 38 38 PHE CB C 13 37.53249322 0 . . . . . . . 38 PHE CB . 51093 1 153 . 1 . 1 38 38 PHE N N 15 121.2914422 0.007729772779 . . . . . . . 38 PHE N . 51093 1 154 . 1 . 1 39 39 LYS H H 1 8.995257535 0.008237731798 . . . . . . . 39 LYS H . 51093 1 155 . 1 . 1 39 39 LYS C C 13 179.4708224 0.00698110627 . . . . . . . 39 LYS C . 51093 1 156 . 1 . 1 39 39 LYS CA C 13 59.91560162 0 . . . . . . . 39 LYS CA . 51093 1 157 . 1 . 1 39 39 LYS CB C 13 31.72309119 0 . . . . . . . 39 LYS CB . 51093 1 158 . 1 . 1 39 39 LYS N N 15 123.4147952 0.04403648363 . . . . . . . 39 LYS N . 51093 1 159 . 1 . 1 40 40 GLN H H 1 7.330952079 0.01551489641 . . . . . . . 40 GLN H . 51093 1 160 . 1 . 1 40 40 GLN C C 13 177.0081843 0.006195889264 . . . . . . . 40 GLN C . 51093 1 161 . 1 . 1 40 40 GLN CA C 13 58.8245858 0 . . . . . . . 40 GLN CA . 51093 1 162 . 1 . 1 40 40 GLN CB C 13 28.27681597 0 . . . . . . . 40 GLN CB . 51093 1 163 . 1 . 1 40 40 GLN N N 15 120.2877106 0.007092088807 . . . . . . . 40 GLN N . 51093 1 164 . 1 . 1 41 41 TYR H H 1 8.114331755 0.005484375971 . . . . . . . 41 TYR H . 51093 1 165 . 1 . 1 41 41 TYR C C 13 178.9308217 0.006277640129 . . . . . . . 41 TYR C . 51093 1 166 . 1 . 1 41 41 TYR CA C 13 61.91054767 0 . . . . . . . 41 TYR CA . 51093 1 167 . 1 . 1 41 41 TYR CB C 13 38.74337304 0 . . . . . . . 41 TYR CB . 51093 1 168 . 1 . 1 41 41 TYR N N 15 121.5109308 0.03058797894 . . . . . . . 41 TYR N . 51093 1 169 . 1 . 1 42 42 ALA H H 1 9.052897616 0.006808432856 . . . . . . . 42 ALA H . 51093 1 170 . 1 . 1 42 42 ALA C C 13 179.2905103 0.02075282298 . . . . . . . 42 ALA C . 51093 1 171 . 1 . 1 42 42 ALA CA C 13 56.36223737 0 . . . . . . . 42 ALA CA . 51093 1 172 . 1 . 1 42 42 ALA CB C 13 17.94911242 0 . . . . . . . 42 ALA CB . 51093 1 173 . 1 . 1 42 42 ALA N N 15 123.2793189 0.05186544121 . . . . . . . 42 ALA N . 51093 1 174 . 1 . 1 43 43 ASN H H 1 8.178481871 0 . . . . . . . 43 ASN H . 51093 1 175 . 1 . 1 43 43 ASN C C 13 179.3169165 0.01871025859 . . . . . . . 43 ASN C . 51093 1 176 . 1 . 1 43 43 ASN CA C 13 57.02472302 0 . . . . . . . 43 ASN CA . 51093 1 177 . 1 . 1 43 43 ASN CB C 13 38.94585375 0.0000004768371582 . . . . . . . 43 ASN CB . 51093 1 178 . 1 . 1 43 43 ASN N N 15 118.3447612 0.000001348699152 . . . . . . . 43 ASN N . 51093 1 179 . 1 . 1 44 44 ASP H H 1 8.8150824 0.000000168587394 . . . . . . . 44 ASP H . 51093 1 180 . 1 . 1 44 44 ASP C C 13 177.034451 0.002861483855 . . . . . . . 44 ASP C . 51093 1 181 . 1 . 1 44 44 ASP CA C 13 57.07629 0 . . . . . . . 44 ASP CA . 51093 1 182 . 1 . 1 44 44 ASP CB C 13 40.11160106 0 . . . . . . . 44 ASP CB . 51093 1 183 . 1 . 1 44 44 ASP N N 15 122.1627813 0.000002336015456 . . . . . . . 44 ASP N . 51093 1 184 . 1 . 1 45 45 ASN H H 1 7.26535329 0.00000008429369702 . . . . . . . 45 ASN H . 51093 1 185 . 1 . 1 45 45 ASN C C 13 173.9244168 0.006208206208 . . . . . . . 45 ASN C . 51093 1 186 . 1 . 1 45 45 ASN CA C 13 53.87619605 0.0000006743495762 . . . . . . . 45 ASN CA . 51093 1 187 . 1 . 1 45 45 ASN N N 15 115.9593014 0 . . . . . . . 45 ASN N . 51093 1 188 . 1 . 1 46 46 GLY H H 1 7.678220161 0.01689218224 . . . . . . . 46 GLY H . 51093 1 189 . 1 . 1 46 46 GLY C C 13 174.1123897 0.01174805746 . . . . . . . 46 GLY C . 51093 1 190 . 1 . 1 46 46 GLY CA C 13 46.9556652 0 . . . . . . . 46 GLY CA . 51093 1 191 . 1 . 1 46 46 GLY N N 15 108.8325118 0.02727973252 . . . . . . . 46 GLY N . 51093 1 192 . 1 . 1 47 47 VAL H H 1 8.005733093 0.009513959641 . . . . . . . 47 VAL H . 51093 1 193 . 1 . 1 47 47 VAL C C 13 173.6410626 0.01129598561 . . . . . . . 47 VAL C . 51093 1 194 . 1 . 1 47 47 VAL CA C 13 62.11048333 0 . . . . . . . 47 VAL CA . 51093 1 195 . 1 . 1 47 47 VAL CB C 13 33.30381722 0 . . . . . . . 47 VAL CB . 51093 1 196 . 1 . 1 47 47 VAL N N 15 121.4710725 0.01915489096 . . . . . . . 47 VAL N . 51093 1 197 . 1 . 1 48 48 ASP H H 1 8.331814816 0.003412161263 . . . . . . . 48 ASP H . 51093 1 198 . 1 . 1 48 48 ASP C C 13 174.5791856 0.0003988776318 . . . . . . . 48 ASP C . 51093 1 199 . 1 . 1 48 48 ASP CA C 13 52.55097462 0.0000009536743164 . . . . . . . 48 ASP CA . 51093 1 200 . 1 . 1 48 48 ASP CB C 13 43.37217261 0 . . . . . . . 48 ASP CB . 51093 1 201 . 1 . 1 48 48 ASP N N 15 127.9398507 0.03450058377 . . . . . . . 48 ASP N . 51093 1 202 . 1 . 1 49 49 GLY H H 1 7.860731933 0.01026696049 . . . . . . . 49 GLY H . 51093 1 203 . 1 . 1 49 49 GLY C C 13 171.7192056 0.0002288818359 . . . . . . . 49 GLY C . 51093 1 204 . 1 . 1 49 49 GLY CA C 13 45.65498082 0 . . . . . . . 49 GLY CA . 51093 1 205 . 1 . 1 49 49 GLY N N 15 108.2104054 0.02833889868 . . . . . . . 49 GLY N . 51093 1 206 . 1 . 1 50 50 GLU H H 1 7.91699755 0.00464754697 . . . . . . . 50 GLU H . 51093 1 207 . 1 . 1 50 50 GLU C C 13 176.894891 0 . . . . . . . 50 GLU C . 51093 1 208 . 1 . 1 50 50 GLU CA C 13 55.70614443 0 . . . . . . . 50 GLU CA . 51093 1 209 . 1 . 1 50 50 GLU CB C 13 31.60173578 0.0000004768371582 . . . . . . . 50 GLU CB . 51093 1 210 . 1 . 1 50 50 GLU N N 15 121.4422956 0.06978927964 . . . . . . . 50 GLU N . 51093 1 211 . 1 . 1 51 51 TRP H H 1 9.19331917 0.00578549337 . . . . . . . 51 TRP H . 51093 1 212 . 1 . 1 51 51 TRP C C 13 176.9429238 0.01180006817 . . . . . . . 51 TRP C . 51093 1 213 . 1 . 1 51 51 TRP CA C 13 57.83260297 0 . . . . . . . 51 TRP CA . 51093 1 214 . 1 . 1 51 51 TRP CB C 13 30.74816257 0.0000004768371582 . . . . . . . 51 TRP CB . 51093 1 215 . 1 . 1 51 51 TRP N N 15 128.8868874 0.03364269629 . . . . . . . 51 TRP N . 51093 1 216 . 1 . 1 52 52 THR H H 1 9.12484398 0.004357298432 . . . . . . . 52 THR H . 51093 1 217 . 1 . 1 52 52 THR C C 13 172.7404131 0.001898215361 . . . . . . . 52 THR C . 51093 1 218 . 1 . 1 52 52 THR CA C 13 60.56970295 0 . . . . . . . 52 THR CA . 51093 1 219 . 1 . 1 52 52 THR CB C 13 72.4330247 0 . . . . . . . 52 THR CB . 51093 1 220 . 1 . 1 52 52 THR N N 15 114.9404676 0.05194614404 . . . . . . . 52 THR N . 51093 1 221 . 1 . 1 53 53 TYR H H 1 8.465805687 0.000000168587394 . . . . . . . 53 TYR H . 51093 1 222 . 1 . 1 53 53 TYR C C 13 173.1073635 0.003358777039 . . . . . . . 53 TYR C . 51093 1 223 . 1 . 1 53 53 TYR CA C 13 57.01986021 0 . . . . . . . 53 TYR CA . 51093 1 224 . 1 . 1 53 53 TYR CB C 13 41.60728117 0 . . . . . . . 53 TYR CB . 51093 1 225 . 1 . 1 53 53 TYR N N 15 121.2778559 0.000001348699152 . . . . . . . 53 TYR N . 51093 1 226 . 1 . 1 54 54 ASP H H 1 7.504849739 0.01468009984 . . . . . . . 54 ASP H . 51093 1 227 . 1 . 1 54 54 ASP C C 13 174.5168542 0.0002288738885 . . . . . . . 54 ASP C . 51093 1 228 . 1 . 1 54 54 ASP CA C 13 51.8809832 0 . . . . . . . 54 ASP CA . 51093 1 229 . 1 . 1 54 54 ASP CB C 13 43.08522341 0 . . . . . . . 54 ASP CB . 51093 1 230 . 1 . 1 54 54 ASP N N 15 129.0712263 0.06425149521 . . . . . . . 54 ASP N . 51093 1 231 . 1 . 1 55 55 ASP H H 1 8.417103658 0.001416634811 . . . . . . . 55 ASP H . 51093 1 232 . 1 . 1 55 55 ASP C C 13 178.1006735 0.01246209519 . . . . . . . 55 ASP C . 51093 1 233 . 1 . 1 55 55 ASP CA C 13 56.34956448 0 . . . . . . . 55 ASP CA . 51093 1 234 . 1 . 1 55 55 ASP CB C 13 42.17922862 0 . . . . . . . 55 ASP CB . 51093 1 235 . 1 . 1 55 55 ASP N N 15 125.5128519 0.07022118783 . . . . . . . 55 ASP N . 51093 1 236 . 1 . 1 56 56 ALA H H 1 8.2029446 0.0007192945396 . . . . . . . 56 ALA H . 51093 1 237 . 1 . 1 56 56 ALA C C 13 179.8166655 0.0127356829 . . . . . . . 56 ALA C . 51093 1 238 . 1 . 1 56 56 ALA CA C 13 55.17523171 0 . . . . . . . 56 ALA CA . 51093 1 239 . 1 . 1 56 56 ALA CB C 13 18.40416082 0 . . . . . . . 56 ALA CB . 51093 1 240 . 1 . 1 56 56 ALA N N 15 120.7093392 0.03355821368 . . . . . . . 56 ALA N . 51093 1 241 . 1 . 1 57 57 THR H H 1 6.882321325 0.01418980056 . . . . . . . 57 THR H . 51093 1 242 . 1 . 1 57 57 THR C C 13 175.147234 0.009141921002 . . . . . . . 57 THR C . 51093 1 243 . 1 . 1 57 57 THR CA C 13 60.5299428 0 . . . . . . . 57 THR CA . 51093 1 244 . 1 . 1 57 57 THR CB C 13 70.2548598 0 . . . . . . . 57 THR CB . 51093 1 245 . 1 . 1 57 57 THR N N 15 103.9648793 0.03585160693 . . . . . . . 57 THR N . 51093 1 246 . 1 . 1 58 58 LYS H H 1 7.746629076 0.01422222835 . . . . . . . 58 LYS H . 51093 1 247 . 1 . 1 58 58 LYS C C 13 174.8761915 0.01032146693 . . . . . . . 58 LYS C . 51093 1 248 . 1 . 1 58 58 LYS CA C 13 57.30896465 0 . . . . . . . 58 LYS CA . 51093 1 249 . 1 . 1 58 58 LYS CB C 13 29.84115062 0 . . . . . . . 58 LYS CB . 51093 1 250 . 1 . 1 58 58 LYS N N 15 124.2649456 0.008517697724 . . . . . . . 58 LYS N . 51093 1 251 . 1 . 1 59 59 THR H H 1 7.25611136 0.0000001192092896 . . . . . . . 59 THR H . 51093 1 252 . 1 . 1 59 59 THR C C 13 174.7737775 0 . . . . . . . 59 THR C . 51093 1 253 . 1 . 1 59 59 THR CA C 13 62.3766713 0 . . . . . . . 59 THR CA . 51093 1 254 . 1 . 1 59 59 THR CB C 13 72.07690795 0 . . . . . . . 59 THR CB . 51093 1 255 . 1 . 1 59 59 THR N N 15 111.7437528 0 . . . . . . . 59 THR N . 51093 1 256 . 1 . 1 60 60 PHE H H 1 10.28988101 0.00172332748 . . . . . . . 60 PHE H . 51093 1 257 . 1 . 1 60 60 PHE C C 13 174.5893907 0.009305895144 . . . . . . . 60 PHE C . 51093 1 258 . 1 . 1 60 60 PHE CA C 13 57.25503609 0.0000009536743164 . . . . . . . 60 PHE CA . 51093 1 259 . 1 . 1 60 60 PHE CB C 13 42.77321606 0 . . . . . . . 60 PHE CB . 51093 1 260 . 1 . 1 60 60 PHE N N 15 131.5631377 0.01047658945 . . . . . . . 60 PHE N . 51093 1 261 . 1 . 1 61 61 THR H H 1 8.948962111 0.007215912006 . . . . . . . 61 THR H . 51093 1 262 . 1 . 1 61 61 THR C C 13 172.5805292 0.00817055282 . . . . . . . 61 THR C . 51093 1 263 . 1 . 1 61 61 THR CA C 13 61.58232821 0 . . . . . . . 61 THR CA . 51093 1 264 . 1 . 1 61 61 THR CB C 13 71.09121935 0 . . . . . . . 61 THR CB . 51093 1 265 . 1 . 1 61 61 THR N N 15 117.478975 0.04582045901 . . . . . . . 61 THR N . 51093 1 266 . 1 . 1 62 62 VAL H H 1 8.079981853 0.000000168587394 . . . . . . . 62 VAL H . 51093 1 267 . 1 . 1 62 62 VAL C C 13 173.231906 0.005965478848 . . . . . . . 62 VAL C . 51093 1 268 . 1 . 1 62 62 VAL CA C 13 58.11604519 0 . . . . . . . 62 VAL CA . 51093 1 269 . 1 . 1 62 62 VAL CB C 13 32.47962075 0.0000004768371582 . . . . . . . 62 VAL CB . 51093 1 270 . 1 . 1 62 62 VAL N N 15 123.7771382 0.000002336015456 . . . . . . . 62 VAL N . 51093 1 271 . 1 . 1 63 63 THR H H 1 8.21018247 0.0101394278 . . . . . . . 63 THR H . 51093 1 272 . 1 . 1 63 63 THR C C 13 174.4393189 0.01917382446 . . . . . . . 63 THR C . 51093 1 273 . 1 . 1 63 63 THR CA C 13 60.97490292 0 . . . . . . . 63 THR CA . 51093 1 274 . 1 . 1 63 63 THR CB C 13 70.56085533 0 . . . . . . . 63 THR CB . 51093 1 275 . 1 . 1 63 63 THR N N 15 124.0631091 0.02978198122 . . . . . . . 63 THR N . 51093 1 276 . 1 . 1 64 64 GLU H H 1 8.000431152 0.005350520363 . . . . . . . 64 GLU H . 51093 1 277 . 1 . 1 64 64 GLU C C 13 176.1199798 0.009959126779 . . . . . . . 64 GLU C . 51093 1 278 . 1 . 1 64 64 GLU CA C 13 56.49721613 0 . . . . . . . 64 GLU CA . 51093 1 279 . 1 . 1 64 64 GLU CB C 13 31.96979564 0 . . . . . . . 64 GLU CB . 51093 1 280 . 1 . 1 64 64 GLU N N 15 129.4524189 0.03404321177 . . . . . . . 64 GLU N . 51093 1 281 . 1 . 1 65 65 GLY H H 1 8.669498483 0.005030713122 . . . . . . . 65 GLY H . 51093 1 282 . 1 . 1 65 65 GLY C C 13 173.7411311 0.05009956053 . . . . . . . 65 GLY C . 51093 1 283 . 1 . 1 65 65 GLY CA C 13 45.36493217 0.0000006743495762 . . . . . . . 65 GLY CA . 51093 1 284 . 1 . 1 65 65 GLY N N 15 113.3447035 0.04766347833 . . . . . . . 65 GLY N . 51093 1 285 . 1 . 1 66 66 SER H H 1 8.106969723 0.003369828673 . . . . . . . 66 SER H . 51093 1 286 . 1 . 1 66 66 SER C C 13 173.0599015 0 . . . . . . . 66 SER C . 51093 1 287 . 1 . 1 66 66 SER CA C 13 56.47724799 0 . . . . . . . 66 SER CA . 51093 1 288 . 1 . 1 66 66 SER CB C 13 63.57955038 0 . . . . . . . 66 SER CB . 51093 1 289 . 1 . 1 66 66 SER N N 15 117.4109617 0.02158462463 . . . . . . . 66 SER N . 51093 1 290 . 1 . 1 69 69 GLY H H 1 8.502888867 0.00136912386 . . . . . . . 69 GLY H . 51093 1 291 . 1 . 1 69 69 GLY C C 13 174.5244974 0.01271562401 . . . . . . . 69 GLY C . 51093 1 292 . 1 . 1 69 69 GLY CA C 13 45.61988651 0 . . . . . . . 69 GLY CA . 51093 1 293 . 1 . 1 69 69 GLY N N 15 112.0064287 0.0387242743 . . . . . . . 69 GLY N . 51093 1 294 . 1 . 1 70 70 SER H H 1 8.12751955 0.001373359409 . . . . . . . 70 SER H . 51093 1 295 . 1 . 1 70 70 SER C C 13 174.7722542 0.002038597025 . . . . . . . 70 SER C . 51093 1 296 . 1 . 1 70 70 SER CA C 13 58.7259603 0 . . . . . . . 70 SER CA . 51093 1 297 . 1 . 1 70 70 SER CB C 13 63.86814518 0 . . . . . . . 70 SER CB . 51093 1 298 . 1 . 1 70 70 SER N N 15 116.2763941 0.04447640019 . . . . . . . 70 SER N . 51093 1 299 . 1 . 1 71 71 GLU H H 1 8.500054417 0.00225115965 . . . . . . . 71 GLU H . 51093 1 300 . 1 . 1 71 71 GLU C C 13 176.2675781 0.008002331367 . . . . . . . 71 GLU C . 51093 1 301 . 1 . 1 71 71 GLU CA C 13 57.22862926 0.0000006743495762 . . . . . . . 71 GLU CA . 51093 1 302 . 1 . 1 71 71 GLU CB C 13 29.9749571 0.0000003371747881 . . . . . . . 71 GLU CB . 51093 1 303 . 1 . 1 71 71 GLU N N 15 122.9691325 0.03687791836 . . . . . . . 71 GLU N . 51093 1 304 . 1 . 1 72 72 ASN H H 1 8.217003304 0.0009113197931 . . . . . . . 72 ASN H . 51093 1 305 . 1 . 1 72 72 ASN C C 13 175.103986 0.008595394821 . . . . . . . 72 ASN C . 51093 1 306 . 1 . 1 72 72 ASN CA C 13 53.47457388 0 . . . . . . . 72 ASN CA . 51093 1 307 . 1 . 1 72 72 ASN CB C 13 38.86854497 0 . . . . . . . 72 ASN CB . 51093 1 308 . 1 . 1 72 72 ASN N N 15 119.4878873 0.01782721916 . . . . . . . 72 ASN N . 51093 1 309 . 1 . 1 73 73 LEU H H 1 7.937598353 0.003956900451 . . . . . . . 73 LEU H . 51093 1 310 . 1 . 1 73 73 LEU C C 13 177.064987 0.01376674933 . . . . . . . 73 LEU C . 51093 1 311 . 1 . 1 73 73 LEU CA C 13 55.69650845 0 . . . . . . . 73 LEU CA . 51093 1 312 . 1 . 1 73 73 LEU CB C 13 42.32084398 0 . . . . . . . 73 LEU CB . 51093 1 313 . 1 . 1 73 73 LEU N N 15 122.592556 0.02443949749 . . . . . . . 73 LEU N . 51093 1 314 . 1 . 1 74 74 TYR H H 1 7.931093897 0.003721961659 . . . . . . . 74 TYR H . 51093 1 315 . 1 . 1 74 74 TYR C C 13 175.6887601 0.009525948901 . . . . . . . 74 TYR C . 51093 1 316 . 1 . 1 74 74 TYR CA C 13 58.04366492 0 . . . . . . . 74 TYR CA . 51093 1 317 . 1 . 1 74 74 TYR CB C 13 38.7092626 0.0000004768371582 . . . . . . . 74 TYR CB . 51093 1 318 . 1 . 1 74 74 TYR N N 15 120.0785487 0.01633528462 . . . . . . . 74 TYR N . 51093 1 319 . 1 . 1 75 75 PHE H H 1 7.935010268 0.004837048272 . . . . . . . 75 PHE H . 51093 1 320 . 1 . 1 75 75 PHE C C 13 175.5604126 0.00766022105 . . . . . . . 75 PHE C . 51093 1 321 . 1 . 1 75 75 PHE CB C 13 39.61360241 0 . . . . . . . 75 PHE CB . 51093 1 322 . 1 . 1 75 75 PHE N N 15 121.7300727 0.05227628387 . . . . . . . 75 PHE N . 51093 1 323 . 1 . 1 76 76 GLN H H 1 8.126486519 0.002247742293 . . . . . . . 76 GLN H . 51093 1 324 . 1 . 1 76 76 GLN C C 13 176.1895565 0.01259091759 . . . . . . . 76 GLN C . 51093 1 325 . 1 . 1 76 76 GLN N N 15 122.379324 0.02318867719 . . . . . . . 76 GLN N . 51093 1 326 . 1 . 1 77 77 GLY H H 1 7.756978044 0.007733645075 . . . . . . . 77 GLY H . 51093 1 327 . 1 . 1 77 77 GLY C C 13 174.0186004 0 . . . . . . . 77 GLY C . 51093 1 328 . 1 . 1 77 77 GLY CA C 13 45.57463096 0 . . . . . . . 77 GLY CA . 51093 1 329 . 1 . 1 77 77 GLY N N 15 109.2563718 0.0487057643 . . . . . . . 77 GLY N . 51093 1 330 . 1 . 1 80 80 ALA H H 1 8.193892923 0.003869991208 . . . . . . . 80 ALA H . 51093 1 331 . 1 . 1 80 80 ALA C C 13 177.9616673 0 . . . . . . . 80 ALA C . 51093 1 332 . 1 . 1 80 80 ALA CA C 13 52.99214746 0 . . . . . . . 80 ALA CA . 51093 1 333 . 1 . 1 80 80 ALA CB C 13 19.25656263 0 . . . . . . . 80 ALA CB . 51093 1 334 . 1 . 1 80 80 ALA N N 15 125.4712572 0.05039925691 . . . . . . . 80 ALA N . 51093 1 335 . 1 . 1 84 84 VAL H H 1 7.926032625 0.001807294489 . . . . . . . 84 VAL H . 51093 1 336 . 1 . 1 84 84 VAL C C 13 176.57911 0.009763698649 . . . . . . . 84 VAL C . 51093 1 337 . 1 . 1 84 84 VAL CA C 13 63.08731393 0 . . . . . . . 84 VAL CA . 51093 1 338 . 1 . 1 84 84 VAL CB C 13 32.57862787 0 . . . . . . . 84 VAL CB . 51093 1 339 . 1 . 1 84 84 VAL N N 15 122.0166499 0.06247868338 . . . . . . . 84 VAL N . 51093 1 340 . 1 . 1 85 85 LEU H H 1 8.133623402 0.003250272875 . . . . . . . 85 LEU H . 51093 1 341 . 1 . 1 85 85 LEU C C 13 177.5289903 0.01169774102 . . . . . . . 85 LEU C . 51093 1 342 . 1 . 1 85 85 LEU CA C 13 55.67125647 0 . . . . . . . 85 LEU CA . 51093 1 343 . 1 . 1 85 85 LEU CB C 13 42.28401757 0 . . . . . . . 85 LEU CB . 51093 1 344 . 1 . 1 85 85 LEU N N 15 125.9414614 0.05307606379 . . . . . . . 85 LEU N . 51093 1 345 . 1 . 1 86 86 ALA H H 1 8.184761406 0.0000002064765462 . . . . . . . 86 ALA H . 51093 1 346 . 1 . 1 86 86 ALA C C 13 178.9437537 0.000001907348633 . . . . . . . 86 ALA C . 51093 1 347 . 1 . 1 86 86 ALA CA C 13 53.33131188 0 . . . . . . . 86 ALA CA . 51093 1 348 . 1 . 1 86 86 ALA CB C 13 19.05325865 0.0000002384185791 . . . . . . . 86 ALA CB . 51093 1 349 . 1 . 1 86 86 ALA N N 15 124.8741199 0.000003015782986 . . . . . . . 86 ALA N . 51093 1 350 . 1 . 1 87 87 SER H H 1 8.026108896 0.0000002064765462 . . . . . . . 87 SER H . 51093 1 351 . 1 . 1 87 87 SER C C 13 175.3584404 0 . . . . . . . 87 SER C . 51093 1 352 . 1 . 1 87 87 SER CA C 13 59.40550641 0 . . . . . . . 87 SER CA . 51093 1 353 . 1 . 1 87 87 SER CB C 13 63.46363722 0 . . . . . . . 87 SER CB . 51093 1 354 . 1 . 1 87 87 SER N N 15 114.5936917 0.000002336015456 . . . . . . . 87 SER N . 51093 1 355 . 1 . 1 89 89 LEU H H 1 7.998464913 0.001473996507 . . . . . . . 89 LEU H . 51093 1 356 . 1 . 1 89 89 LEU C C 13 177.9479073 0.01461751115 . . . . . . . 89 LEU C . 51093 1 357 . 1 . 1 89 89 LEU CA C 13 55.86904733 0 . . . . . . . 89 LEU CA . 51093 1 358 . 1 . 1 89 89 LEU CB C 13 42.22182245 0 . . . . . . . 89 LEU CB . 51093 1 359 . 1 . 1 89 89 LEU N N 15 122.5049226 0.03232666323 . . . . . . . 89 LEU N . 51093 1 360 . 1 . 1 90 90 ALA H H 1 8.116791148 0 . . . . . . . 90 ALA H . 51093 1 361 . 1 . 1 90 90 ALA C C 13 178.5817494 0 . . . . . . . 90 ALA C . 51093 1 362 . 1 . 1 90 90 ALA CA C 13 53.64996663 0 . . . . . . . 90 ALA CA . 51093 1 363 . 1 . 1 90 90 ALA CB C 13 18.84165115 0 . . . . . . . 90 ALA CB . 51093 1 364 . 1 . 1 90 90 ALA N N 15 124.3588873 0.000002336015456 . . . . . . . 90 ALA N . 51093 1 365 . 1 . 1 91 91 SER H H 1 8.062669276 0.002080106272 . . . . . . . 91 SER H . 51093 1 366 . 1 . 1 91 91 SER C C 13 175.3391095 0.04594102349 . . . . . . . 91 SER C . 51093 1 367 . 1 . 1 91 91 SER CA C 13 59.11207277 0 . . . . . . . 91 SER CA . 51093 1 368 . 1 . 1 91 91 SER CB C 13 63.60109932 0 . . . . . . . 91 SER CB . 51093 1 369 . 1 . 1 91 91 SER N N 15 115.1642156 0.003118447353 . . . . . . . 91 SER N . 51093 1 370 . 1 . 1 92 92 GLN H H 1 8.063259259 0.000000168587394 . . . . . . . 92 GLN H . 51093 1 371 . 1 . 1 92 92 GLN C C 13 176.7644927 0.01456405405 . . . . . . . 92 GLN C . 51093 1 372 . 1 . 1 92 92 GLN CA C 13 56.69308312 0 . . . . . . . 92 GLN CA . 51093 1 373 . 1 . 1 92 92 GLN CB C 13 29.20580049 0.0000003371747881 . . . . . . . 92 GLN CB . 51093 1 374 . 1 . 1 92 92 GLN N N 15 122.4011786 0.000003015782986 . . . . . . . 92 GLN N . 51093 1 375 . 1 . 1 93 93 MET H H 1 8.094399371 0.0006014145874 . . . . . . . 93 MET H . 51093 1 376 . 1 . 1 93 93 MET C C 13 176.6608655 0 . . . . . . . 93 MET C . 51093 1 377 . 1 . 1 93 93 MET CA C 13 56.21864187 0 . . . . . . . 93 MET CA . 51093 1 378 . 1 . 1 93 93 MET CB C 13 32.88956802 0 . . . . . . . 93 MET CB . 51093 1 379 . 1 . 1 93 93 MET N N 15 120.9831953 0.02783867383 . . . . . . . 93 MET N . 51093 1 380 . 1 . 1 94 94 ALA H H 1 8.041868434 0.00241051513 . . . . . . . 94 ALA H . 51093 1 381 . 1 . 1 94 94 ALA C C 13 178.0539802 0.0004887429677 . . . . . . . 94 ALA C . 51093 1 382 . 1 . 1 94 94 ALA CA C 13 53.04464181 0 . . . . . . . 94 ALA CA . 51093 1 383 . 1 . 1 94 94 ALA CB C 13 19.01928005 0 . . . . . . . 94 ALA CB . 51093 1 384 . 1 . 1 94 94 ALA N N 15 124.9719302 0.05671186964 . . . . . . . 94 ALA N . 51093 1 385 . 1 . 1 95 95 ALA H H 1 8.048374146 0.003041353764 . . . . . . . 95 ALA H . 51093 1 386 . 1 . 1 95 95 ALA C C 13 178.3585286 0.007414192161 . . . . . . . 95 ALA C . 51093 1 387 . 1 . 1 95 95 ALA CA C 13 53.11570419 0 . . . . . . . 95 ALA CA . 51093 1 388 . 1 . 1 95 95 ALA CB C 13 19.07408432 0 . . . . . . . 95 ALA CB . 51093 1 389 . 1 . 1 95 95 ALA N N 15 123.2044031 0.05893731609 . . . . . . . 95 ALA N . 51093 1 390 . 1 . 1 96 96 SER H H 1 7.98077265 0.00119742301 . . . . . . . 96 SER H . 51093 1 391 . 1 . 1 96 96 SER C C 13 174.5055119 0.009257303965 . . . . . . . 96 SER C . 51093 1 392 . 1 . 1 96 96 SER CA C 13 58.6629231 0 . . . . . . . 96 SER CA . 51093 1 393 . 1 . 1 96 96 SER CB C 13 63.78766713 0 . . . . . . . 96 SER CB . 51093 1 394 . 1 . 1 96 96 SER N N 15 114.6948229 0.01620849471 . . . . . . . 96 SER N . 51093 1 395 . 1 . 1 97 97 ALA H H 1 7.977902715 0.005376989201 . . . . . . . 97 ALA H . 51093 1 396 . 1 . 1 97 97 ALA C C 13 177.6868221 0.006824470752 . . . . . . . 97 ALA C . 51093 1 397 . 1 . 1 97 97 ALA CA C 13 52.76843555 0 . . . . . . . 97 ALA CA . 51093 1 398 . 1 . 1 97 97 ALA CB C 13 19.30055923 0.0000002384185791 . . . . . . . 97 ALA CB . 51093 1 399 . 1 . 1 97 97 ALA N N 15 125.9440831 0.0347563922 . . . . . . . 97 ALA N . 51093 1 400 . 1 . 1 98 98 LYS H H 1 7.991978323 0.003824802986 . . . . . . . 98 LYS H . 51093 1 401 . 1 . 1 98 98 LYS C C 13 176.4950044 0.01160178746 . . . . . . . 98 LYS C . 51093 1 402 . 1 . 1 98 98 LYS CA C 13 56.44557474 0 . . . . . . . 98 LYS CA . 51093 1 403 . 1 . 1 98 98 LYS CB C 13 32.98019399 0.0000006743495762 . . . . . . . 98 LYS CB . 51093 1 404 . 1 . 1 98 98 LYS N N 15 120.6005482 0.01635438759 . . . . . . . 98 LYS N . 51093 1 405 . 1 . 1 99 99 VAL H H 1 7.807086372 0.0000001884864366 . . . . . . . 99 VAL H . 51093 1 406 . 1 . 1 99 99 VAL C C 13 175.5780177 0.01062712527 . . . . . . . 99 VAL C . 51093 1 407 . 1 . 1 99 99 VAL CA C 13 61.98994394 0 . . . . . . . 99 VAL CA . 51093 1 408 . 1 . 1 99 99 VAL CB C 13 32.98658231 0 . . . . . . . 99 VAL CB . 51093 1 409 . 1 . 1 99 99 VAL N N 15 121.2960686 0.000002697398305 . . . . . . . 99 VAL N . 51093 1 410 . 1 . 1 100 100 ALA H H 1 8.216579767 0.004933125626 . . . . . . . 100 ALA H . 51093 1 411 . 1 . 1 100 100 ALA C C 13 177.1833631 0.009015608661 . . . . . . . 100 ALA C . 51093 1 412 . 1 . 1 100 100 ALA CA C 13 52.35955148 0.0000009536743164 . . . . . . . 100 ALA CA . 51093 1 413 . 1 . 1 100 100 ALA CB C 13 19.34245245 0.0000002384185791 . . . . . . . 100 ALA CB . 51093 1 414 . 1 . 1 100 100 ALA N N 15 128.8233072 0.03232456163 . . . . . . . 100 ALA N . 51093 1 415 . 1 . 1 101 101 ARG H H 1 8.152407199 0.008667462258 . . . . . . . 101 ARG H . 51093 1 416 . 1 . 1 101 101 ARG C C 13 174.04531 0.0002288818359 . . . . . . . 101 ARG C . 51093 1 417 . 1 . 1 101 101 ARG CA C 13 53.81069931 0 . . . . . . . 101 ARG CA . 51093 1 418 . 1 . 1 101 101 ARG CB C 13 30.30783806 0 . . . . . . . 101 ARG CB . 51093 1 419 . 1 . 1 101 101 ARG N N 15 122.2512807 0.02631147463 . . . . . . . 101 ARG N . 51093 1 420 . 1 . 1 103 103 ALA H H 1 8.277661722 0.006179623293 . . . . . . . 103 ALA H . 51093 1 421 . 1 . 1 103 103 ALA C C 13 177.6891862 0.008501573435 . . . . . . . 103 ALA C . 51093 1 422 . 1 . 1 103 103 ALA CA C 13 52.40195772 0 . . . . . . . 103 ALA CA . 51093 1 423 . 1 . 1 103 103 ALA CB C 13 19.27092801 0 . . . . . . . 103 ALA CB . 51093 1 424 . 1 . 1 103 103 ALA N N 15 125.2080335 0.01418578105 . . . . . . . 103 ALA N . 51093 1 425 . 1 . 1 104 104 VAL H H 1 7.965256766 0.007688668355 . . . . . . . 104 VAL H . 51093 1 426 . 1 . 1 104 104 VAL C C 13 175.9372437 0.008099995178 . . . . . . . 104 VAL C . 51093 1 427 . 1 . 1 104 104 VAL CA C 13 62.25205596 0 . . . . . . . 104 VAL CA . 51093 1 428 . 1 . 1 104 104 VAL CB C 13 32.9276784 0 . . . . . . . 104 VAL CB . 51093 1 429 . 1 . 1 104 104 VAL N N 15 120.406168 0.05390943497 . . . . . . . 104 VAL N . 51093 1 430 . 1 . 1 105 105 ARG H H 1 8.285258703 0.005678774009 . . . . . . . 105 ARG H . 51093 1 431 . 1 . 1 105 105 ARG C C 13 175.9726925 0.01394735004 . . . . . . . 105 ARG C . 51093 1 432 . 1 . 1 105 105 ARG CA C 13 55.94940553 0 . . . . . . . 105 ARG CA . 51093 1 433 . 1 . 1 105 105 ARG CB C 13 30.97856318 0 . . . . . . . 105 ARG CB . 51093 1 434 . 1 . 1 105 105 ARG N N 15 126.0838909 0.05792171785 . . . . . . . 105 ARG N . 51093 1 435 . 1 . 1 106 106 VAL H H 1 8.085107514 0.01012009593 . . . . . . . 106 VAL H . 51093 1 436 . 1 . 1 106 106 VAL C C 13 175.7109377 0.0001734324329 . . . . . . . 106 VAL C . 51093 1 437 . 1 . 1 106 106 VAL CA C 13 62.14955251 0 . . . . . . . 106 VAL CA . 51093 1 438 . 1 . 1 106 106 VAL CB C 13 32.955046 0 . . . . . . . 106 VAL CB . 51093 1 439 . 1 . 1 106 106 VAL N N 15 122.9298246 0.06307459417 . . . . . . . 106 VAL N . 51093 1 440 . 1 . 1 107 107 ALA H H 1 8.280785347 0.006815432958 . . . . . . . 107 ALA H . 51093 1 441 . 1 . 1 107 107 ALA C C 13 177.4280371 0.008504879317 . . . . . . . 107 ALA C . 51093 1 442 . 1 . 1 107 107 ALA CA C 13 52.4898467 0 . . . . . . . 107 ALA CA . 51093 1 443 . 1 . 1 107 107 ALA CB C 13 19.35346437 0 . . . . . . . 107 ALA CB . 51093 1 444 . 1 . 1 107 107 ALA N N 15 128.6719513 0.05293162083 . . . . . . . 107 ALA N . 51093 1 445 . 1 . 1 108 108 GLN H H 1 8.236171706 0.007493530235 . . . . . . . 108 GLN H . 51093 1 446 . 1 . 1 108 108 GLN C C 13 175.9491536 0.002698198639 . . . . . . . 108 GLN C . 51093 1 447 . 1 . 1 108 108 GLN CA C 13 55.75553535 0 . . . . . . . 108 GLN CA . 51093 1 448 . 1 . 1 108 108 GLN CB C 13 29.65630154 0 . . . . . . . 108 GLN CB . 51093 1 449 . 1 . 1 108 108 GLN N N 15 120.9480935 0.04127578369 . . . . . . . 108 GLN N . 51093 1 450 . 1 . 1 109 109 VAL H H 1 8.108139881 0 . . . . . . . 109 VAL H . 51093 1 451 . 1 . 1 109 109 VAL C C 13 176.1015094 0 . . . . . . . 109 VAL C . 51093 1 452 . 1 . 1 109 109 VAL CA C 13 62.36672162 0 . . . . . . . 109 VAL CA . 51093 1 453 . 1 . 1 109 109 VAL CB C 13 32.93074657 0 . . . . . . . 109 VAL CB . 51093 1 454 . 1 . 1 109 109 VAL N N 15 122.3267108 0 . . . . . . . 109 VAL N . 51093 1 455 . 1 . 1 113 113 THR H H 1 8.121581772 0.006680287489 . . . . . . . 113 THR H . 51093 1 456 . 1 . 1 113 113 THR C C 13 174.334885 0.001749161411 . . . . . . . 113 THR C . 51093 1 457 . 1 . 1 113 113 THR CA C 13 62.03016361 0 . . . . . . . 113 THR CA . 51093 1 458 . 1 . 1 113 113 THR CB C 13 69.92883047 0 . . . . . . . 113 THR CB . 51093 1 459 . 1 . 1 113 113 THR N N 15 117.2899978 0.03687048451 . . . . . . . 113 THR N . 51093 1 460 . 1 . 1 114 114 ILE H H 1 8.095100941 0.0000001192092896 . . . . . . . 114 ILE H . 51093 1 461 . 1 . 1 114 114 ILE C C 13 175.9925608 0.01056058582 . . . . . . . 114 ILE C . 51093 1 462 . 1 . 1 114 114 ILE CA C 13 61.1297185 0 . . . . . . . 114 ILE CA . 51093 1 463 . 1 . 1 114 114 ILE CB C 13 38.85751455 0 . . . . . . . 114 ILE CB . 51093 1 464 . 1 . 1 114 114 ILE N N 15 124.246825 0.000002697398305 . . . . . . . 114 ILE N . 51093 1 465 . 1 . 1 115 115 GLN H H 1 8.402269595 0.00614983791 . . . . . . . 115 GLN H . 51093 1 466 . 1 . 1 115 115 GLN C C 13 175.9713448 0.007603429719 . . . . . . . 115 GLN C . 51093 1 467 . 1 . 1 115 115 GLN CA C 13 55.79951736 0 . . . . . . . 115 GLN CA . 51093 1 468 . 1 . 1 115 115 GLN CB C 13 29.52008049 0 . . . . . . . 115 GLN CB . 51093 1 469 . 1 . 1 115 115 GLN N N 15 125.5842175 0.0453775796 . . . . . . . 115 GLN N . 51093 1 470 . 1 . 1 116 116 THR H H 1 8.129467558 0.008082413242 . . . . . . . 116 THR H . 51093 1 471 . 1 . 1 116 116 THR C C 13 174.9493726 0 . . . . . . . 116 THR C . 51093 1 472 . 1 . 1 116 116 THR CA C 13 61.92675731 0 . . . . . . . 116 THR CA . 51093 1 473 . 1 . 1 116 116 THR CB C 13 69.01784912 0 . . . . . . . 116 THR CB . 51093 1 474 . 1 . 1 116 116 THR N N 15 116.4676226 0.03004019022 . . . . . . . 116 THR N . 51093 1 475 . 1 . 1 117 117 GLY H H 1 8.305183004 0.003808869291 . . . . . . . 117 GLY H . 51093 1 476 . 1 . 1 117 117 GLY C C 13 173.7299985 0 . . . . . . . 117 GLY C . 51093 1 477 . 1 . 1 117 117 GLY CA C 13 45.03946409 0 . . . . . . . 117 GLY CA . 51093 1 478 . 1 . 1 117 117 GLY N N 15 111.7805043 0.03450786633 . . . . . . . 117 GLY N . 51093 1 479 . 1 . 1 120 120 LEU H H 1 8.105792115 0.005594032559 . . . . . . . 120 LEU H . 51093 1 480 . 1 . 1 120 120 LEU C C 13 177.6361611 0.009330890456 . . . . . . . 120 LEU C . 51093 1 481 . 1 . 1 120 120 LEU CA C 13 55.66722533 0 . . . . . . . 120 LEU CA . 51093 1 482 . 1 . 1 120 120 LEU CB C 13 42.20737369 0 . . . . . . . 120 LEU CB . 51093 1 483 . 1 . 1 120 120 LEU N N 15 121.9576198 0.05167979071 . . . . . . . 120 LEU N . 51093 1 484 . 1 . 1 121 121 GLN H H 1 8.158027025 0.0000001192092896 . . . . . . . 121 GLN H . 51093 1 485 . 1 . 1 121 121 GLN C C 13 176.184327 0.009131228741 . . . . . . . 121 GLN C . 51093 1 486 . 1 . 1 121 121 GLN CA C 13 56.09315943 0 . . . . . . . 121 GLN CA . 51093 1 487 . 1 . 1 121 121 GLN CB C 13 29.53249492 0.0000003371747881 . . . . . . . 121 GLN CB . 51093 1 488 . 1 . 1 121 121 GLN N N 15 121.2689759 0.000002336015456 . . . . . . . 121 GLN N . 51093 1 489 . 1 . 1 122 122 THR H H 1 7.974838633 0.0000001884864366 . . . . . . . 122 THR H . 51093 1 490 . 1 . 1 122 122 THR C C 13 174.4978122 0.002835041329 . . . . . . . 122 THR C . 51093 1 491 . 1 . 1 122 122 THR CA C 13 62.27772793 0 . . . . . . . 122 THR CA . 51093 1 492 . 1 . 1 122 122 THR CB C 13 69.75884702 0 . . . . . . . 122 THR CB . 51093 1 493 . 1 . 1 122 122 THR N N 15 115.8914109 0.000001348699152 . . . . . . . 122 THR N . 51093 1 494 . 1 . 1 123 123 LEU H H 1 8.037627176 0.0000002384185791 . . . . . . . 123 LEU H . 51093 1 495 . 1 . 1 123 123 LEU C C 13 177.2314811 0.004804970098 . . . . . . . 123 LEU C . 51093 1 496 . 1 . 1 123 123 LEU CA C 13 55.49587037 0 . . . . . . . 123 LEU CA . 51093 1 497 . 1 . 1 123 123 LEU CB C 13 42.44496533 0 . . . . . . . 123 LEU CB . 51093 1 498 . 1 . 1 123 123 LEU N N 15 125.1042978 0 . . . . . . . 123 LEU N . 51093 1 499 . 1 . 1 124 124 LYS H H 1 8.148861623 0.009295164978 . . . . . . . 124 LYS H . 51093 1 500 . 1 . 1 124 124 LYS C C 13 176.6201392 0 . . . . . . . 124 LYS C . 51093 1 501 . 1 . 1 124 124 LYS CA C 13 56.43755559 0 . . . . . . . 124 LYS CA . 51093 1 502 . 1 . 1 124 124 LYS CB C 13 30.9475688 0 . . . . . . . 124 LYS CB . 51093 1 503 . 1 . 1 124 124 LYS N N 15 122.9397438 0.04335741839 . . . . . . . 124 LYS N . 51093 1 504 . 1 . 1 131 131 ILE H H 1 8.044835783 0.004707961243 . . . . . . . 131 ILE H . 51093 1 505 . 1 . 1 131 131 ILE C C 13 176.2935644 0.01143798681 . . . . . . . 131 ILE C . 51093 1 506 . 1 . 1 131 131 ILE CA C 13 61.4188271 0 . . . . . . . 131 ILE CA . 51093 1 507 . 1 . 1 131 131 ILE CB C 13 38.6582709 0 . . . . . . . 131 ILE CB . 51093 1 508 . 1 . 1 131 131 ILE N N 15 123.4808579 0.03920878587 . . . . . . . 131 ILE N . 51093 1 509 . 1 . 1 132 132 VAL H H 1 8.031551889 0.000000168587394 . . . . . . . 132 VAL H . 51093 1 510 . 1 . 1 132 132 VAL C C 13 175.8216486 0.0002288818359 . . . . . . . 132 VAL C . 51093 1 511 . 1 . 1 132 132 VAL CA C 13 62.59187487 0 . . . . . . . 132 VAL CA . 51093 1 512 . 1 . 1 132 132 VAL CB C 13 32.74472191 0 . . . . . . . 132 VAL CB . 51093 1 513 . 1 . 1 132 132 VAL N N 15 124.643279 0.000002336015456 . . . . . . . 132 VAL N . 51093 1 514 . 1 . 1 133 133 ASN H H 1 8.327091051 0.00666527664 . . . . . . . 133 ASN H . 51093 1 515 . 1 . 1 133 133 ASN C C 13 174.9889701 0.01905186018 . . . . . . . 133 ASN C . 51093 1 516 . 1 . 1 133 133 ASN CA C 13 53.23927058 0.0000006743495762 . . . . . . . 133 ASN CA . 51093 1 517 . 1 . 1 133 133 ASN CB C 13 39.0069921 0.0000004768371582 . . . . . . . 133 ASN CB . 51093 1 518 . 1 . 1 133 133 ASN N N 15 123.1717462 0.02807964221 . . . . . . . 133 ASN N . 51093 1 519 . 1 . 1 134 134 ALA H H 1 8.214597981 0.03302625291 . . . . . . . 134 ALA H . 51093 1 520 . 1 . 1 134 134 ALA C C 13 178.1934012 0.03572900667 . . . . . . . 134 ALA C . 51093 1 521 . 1 . 1 134 134 ALA CA C 13 53.26754099 0 . . . . . . . 134 ALA CA . 51093 1 522 . 1 . 1 134 134 ALA CB C 13 19.28564548 0.0000002384185791 . . . . . . . 134 ALA CB . 51093 1 523 . 1 . 1 134 134 ALA N N 15 125.0039424 0.02887293416 . . . . . . . 134 ALA N . 51093 1 524 . 1 . 1 135 135 THR H H 1 8.076137976 0.002091406679 . . . . . . . 135 THR H . 51093 1 525 . 1 . 1 135 135 THR C C 13 175.1305023 0.009861767515 . . . . . . . 135 THR C . 51093 1 526 . 1 . 1 135 135 THR CA C 13 62.55787797 0 . . . . . . . 135 THR CA . 51093 1 527 . 1 . 1 135 135 THR CB C 13 69.61959011 0 . . . . . . . 135 THR CB . 51093 1 528 . 1 . 1 135 135 THR N N 15 113.215251 0.02835067019 . . . . . . . 135 THR N . 51093 1 529 . 1 . 1 136 136 THR H H 1 7.91054753 0.001283529656 . . . . . . . 136 THR H . 51093 1 530 . 1 . 1 136 136 THR C C 13 174.7157932 0.005225629156 . . . . . . . 136 THR C . 51093 1 531 . 1 . 1 136 136 THR CA C 13 62.31869492 0 . . . . . . . 136 THR CA . 51093 1 532 . 1 . 1 136 136 THR CB C 13 69.71152431 0 . . . . . . . 136 THR CB . 51093 1 533 . 1 . 1 136 136 THR N N 15 116.7556947 0.04277777057 . . . . . . . 136 THR N . 51093 1 534 . 1 . 1 137 137 ARG H H 1 8.157050401 0.002902006093 . . . . . . . 137 ARG H . 51093 1 535 . 1 . 1 137 137 ARG C C 13 176.4482782 0.01350751632 . . . . . . . 137 ARG C . 51093 1 536 . 1 . 1 137 137 ARG CA C 13 56.62069133 0 . . . . . . . 137 ARG CA . 51093 1 537 . 1 . 1 137 137 ARG CB C 13 30.59949375 0 . . . . . . . 137 ARG CB . 51093 1 538 . 1 . 1 137 137 ARG N N 15 123.5952826 0.04499670538 . . . . . . . 137 ARG N . 51093 1 539 . 1 . 1 138 138 GLN H H 1 8.185677433 0.001749918939 . . . . . . . 138 GLN H . 51093 1 540 . 1 . 1 138 138 GLN C C 13 175.8814527 0.008931960912 . . . . . . . 138 GLN C . 51093 1 541 . 1 . 1 138 138 GLN CA C 13 56.33752315 0 . . . . . . . 138 GLN CA . 51093 1 542 . 1 . 1 138 138 GLN CB C 13 29.44148357 0 . . . . . . . 138 GLN CB . 51093 1 543 . 1 . 1 138 138 GLN N N 15 121.8112417 0.01854730775 . . . . . . . 138 GLN N . 51093 1 544 . 1 . 1 139 139 ALA H H 1 8.115376464 0.000000168587394 . . . . . . . 139 ALA H . 51093 1 545 . 1 . 1 139 139 ALA C C 13 177.6052169 0.01507110975 . . . . . . . 139 ALA C . 51093 1 546 . 1 . 1 139 139 ALA CA C 13 52.87268881 0.0000006743495762 . . . . . . . 139 ALA CA . 51093 1 547 . 1 . 1 139 139 ALA CB C 13 19.16423397 0.0000002384185791 . . . . . . . 139 ALA CB . 51093 1 548 . 1 . 1 139 139 ALA N N 15 125.2123756 0.000001907348633 . . . . . . . 139 ALA N . 51093 1 549 . 1 . 1 140 140 PHE H H 1 7.960329164 0.003749027885 . . . . . . . 140 PHE H . 51093 1 550 . 1 . 1 140 140 PHE C C 13 175.73267 0.01215932225 . . . . . . . 140 PHE C . 51093 1 551 . 1 . 1 140 140 PHE CA C 13 57.94897885 0 . . . . . . . 140 PHE CA . 51093 1 552 . 1 . 1 140 140 PHE CB C 13 39.46630092 0 . . . . . . . 140 PHE CB . 51093 1 553 . 1 . 1 140 140 PHE N N 15 119.3556066 0.02410802564 . . . . . . . 140 PHE N . 51093 1 554 . 1 . 1 141 141 GLN H H 1 8.008251557 0.003152005395 . . . . . . . 141 GLN H . 51093 1 555 . 1 . 1 141 141 GLN C C 13 175.5075775 0.008393834804 . . . . . . . 141 GLN C . 51093 1 556 . 1 . 1 141 141 GLN CA C 13 55.83815394 0 . . . . . . . 141 GLN CA . 51093 1 557 . 1 . 1 141 141 GLN CB C 13 29.63625836 0.0000004768371582 . . . . . . . 141 GLN CB . 51093 1 558 . 1 . 1 141 141 GLN N N 15 122.272219 0.02688541944 . . . . . . . 141 GLN N . 51093 1 559 . 1 . 1 142 142 LYS H H 1 8.116363952 0.001623076268 . . . . . . . 142 LYS H . 51093 1 560 . 1 . 1 142 142 LYS C C 13 176.365981 0.02596422286 . . . . . . . 142 LYS C . 51093 1 561 . 1 . 1 142 142 LYS CA C 13 56.62586144 0 . . . . . . . 142 LYS CA . 51093 1 562 . 1 . 1 142 142 LYS CB C 13 32.97899921 0 . . . . . . . 142 LYS CB . 51093 1 563 . 1 . 1 142 142 LYS N N 15 123.2463973 0.02354156005 . . . . . . . 142 LYS N . 51093 1 564 . 1 . 1 143 143 ARG H H 1 8.216366562 0.003725368869 . . . . . . . 143 ARG H . 51093 1 565 . 1 . 1 143 143 ARG C C 13 175.7280373 0.0119744611 . . . . . . . 143 ARG C . 51093 1 566 . 1 . 1 143 143 ARG CA C 13 55.9957203 0 . . . . . . . 143 ARG CA . 51093 1 567 . 1 . 1 143 143 ARG CB C 13 31.00707718 0 . . . . . . . 143 ARG CB . 51093 1 568 . 1 . 1 143 143 ARG N N 15 122.9571341 0.02984758462 . . . . . . . 143 ARG N . 51093 1 569 . 1 . 1 144 144 ALA H H 1 8.178055707 0.004841570511 . . . . . . . 144 ALA H . 51093 1 570 . 1 . 1 144 144 ALA C C 13 177.2447406 0.0003858222607 . . . . . . . 144 ALA C . 51093 1 571 . 1 . 1 144 144 ALA CA C 13 52.45220113 0 . . . . . . . 144 ALA CA . 51093 1 572 . 1 . 1 144 144 ALA CB C 13 19.32146532 0 . . . . . . . 144 ALA CB . 51093 1 573 . 1 . 1 144 144 ALA N N 15 125.800006 0.01920325945 . . . . . . . 144 ALA N . 51093 1 574 . 1 . 1 145 145 TYR H H 1 7.992372801 0.005854334722 . . . . . . . 145 TYR H . 51093 1 575 . 1 . 1 145 145 TYR C C 13 175.71715 0.005861813316 . . . . . . . 145 TYR C . 51093 1 576 . 1 . 1 145 145 TYR CA C 13 57.95821255 0 . . . . . . . 145 TYR CA . 51093 1 577 . 1 . 1 145 145 TYR CB C 13 38.88632453 0 . . . . . . . 145 TYR CB . 51093 1 578 . 1 . 1 145 145 TYR N N 15 119.8647236 0.04142735628 . . . . . . . 145 TYR N . 51093 1 579 . 1 . 1 146 146 SER H H 1 8.013247978 0.004309899432 . . . . . . . 146 SER H . 51093 1 580 . 1 . 1 146 146 SER C C 13 174.1232684 0.006200498224 . . . . . . . 146 SER C . 51093 1 581 . 1 . 1 146 146 SER CB C 13 64.06497024 0 . . . . . . . 146 SER CB . 51093 1 582 . 1 . 1 146 146 SER N N 15 117.6799108 0.01994894098 . . . . . . . 146 SER N . 51093 1 583 . 1 . 1 147 147 SER H H 1 8.152823361 0.00379392691 . . . . . . . 147 SER H . 51093 1 584 . 1 . 1 147 147 SER C C 13 174.2485244 0.00683302876 . . . . . . . 147 SER C . 51093 1 585 . 1 . 1 147 147 SER CA C 13 58.54513796 0 . . . . . . . 147 SER CA . 51093 1 586 . 1 . 1 147 147 SER CB C 13 63.79178478 0 . . . . . . . 147 SER CB . 51093 1 587 . 1 . 1 147 147 SER N N 15 118.4309322 0.01498173768 . . . . . . . 147 SER N . 51093 1 588 . 1 . 1 148 148 LEU H H 1 8.13841317 0.0009596108869 . . . . . . . 148 LEU H . 51093 1 589 . 1 . 1 148 148 LEU C C 13 176.4072558 0.005860583732 . . . . . . . 148 LEU C . 51093 1 590 . 1 . 1 148 148 LEU CA C 13 55.37722879 0 . . . . . . . 148 LEU CA . 51093 1 591 . 1 . 1 148 148 LEU CB C 13 42.44083414 0 . . . . . . . 148 LEU CB . 51093 1 592 . 1 . 1 148 148 LEU N N 15 124.629441 0.0359635063 . . . . . . . 148 LEU N . 51093 1 593 . 1 . 1 149 149 GLU H H 1 7.696994225 0.001884869676 . . . . . . . 149 GLU H . 51093 1 594 . 1 . 1 149 149 GLU C C 13 180.953792 0 . . . . . . . 149 GLU C . 51093 1 595 . 1 . 1 149 149 GLU CA C 13 58.02296517 0 . . . . . . . 149 GLU CA . 51093 1 596 . 1 . 1 149 149 GLU CB C 13 31.36637023 0 . . . . . . . 149 GLU CB . 51093 1 597 . 1 . 1 149 149 GLU N N 15 126.4633254 0.03842162764 . . . . . . . 149 GLU N . 51093 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 51093 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name PL_TROSY_GB1_pSu9(1-69) _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 1 _Spectral_peak_list.Experiment_name '2D 1H-15N TROSY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _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 ; _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 2 . . 53204548 . 8.004719776 . 129.4253098 . A 64 GLU H A 64 GLU N 1 . . . 1 2 3 . . 33121960 . 9.188757543 . 128.8891384 . A 51 TRP H A 51 TRP N 1 . . . 1 3 4 . . 84748488 . 8.21197494 . 128.7974774 . A 100 ALA H A 100 ALA N 1 . . . 1 4 5 . . 80323760 . 8.274819431 . 128.6275486 . A 107 ALA H A 107 ALA N 1 . . . 1 5 6 . . 55829124 . 8.328138101 . 127.9265716 . A 48 ASP H A 48 ASP N 1 . . . 1 6 7 . . 27960678 . 8.521007967 . 127.194362 . A 13 LEU H A 13 LEU N 1 . . . 1 7 8 . . 29542406 . 8.958926052 . 126.9588418 . A 14 ILE H A 14 ILE N 1 . . . 1 8 9 . . 34335816 . 8.607663515 . 126.5319207 . A 15 LEU H A 15 LEU N 1 . . . 1 9 10 . . 192159472 . 7.698975355 . 126.5044605 . A 149 GLU H A 149 GLU N 1 . . . 1 10 11 . . 40167988 . 8.715565083 . 126.212741 . A 16 ASN H A 16 ASN N 1 . . . 1 11 12 . . 55244836 . 8.279781301 . 126.0156945 . A 105 ARG H A 105 ARG N 1 . . . 1 12 13 . . 76261008 . 8.13105773 . 125.9884645 . A 85 LEU H A 85 LEU N 1 . . . 1 13 14 . . 24120024 . 7.982994785 . 125.9785507 . A 97 ALA H A 97 ALA N 1 . . . 1 14 15 . . 27537736 . 8.172021936 . 125.8034285 . A 144 ALA H A 144 ALA N 1 . . . 1 15 16 . . 67645688 . 8.413753038 . 125.57405 . A 55 ASP H A 55 ASP N 1 . . . 1 16 17 . . 21139568 . 8.191729184 . 125.4746569 . A 80 ALA H A 80 ALA N 1 . . . 1 17 18 . . 26077358 . 9.032190829 . 125.2186219 . A 11 TYR H A 11 TYR N 1 . . . 1 18 19 . . 96477616 . 8.271300036 . 125.199443 . A 103 ALA H A 103 ALA N 1 . . . 1 19 20 . . 31089936 . 8.115376464 . 125.2123756 . A 139 ALA H A 139 ALA N 1 . . . 1 20 21 . . 73792586.74 . 8.04278508 . 125.046976 . A 94 ALA H A 94 ALA N 1 . . . 1 21 22 . . 35631516 . 9.28234106 . 125.0441772 . A 28 ALA H A 28 ALA N 1 . . . 1 22 23 . . 29108758 . 8.184761406 . 124.8741199 . A 86 ALA H A 86 ALA N 1 . . . 1 23 24 . . 164604592 . 8.139120275 . 124.675207 . A 148 LEU H A 148 LEU N 1 . . . 1 24 25 . . 206954032 . 8.031551889 . 124.643279 . A 132 VAL H A 132 VAL N 1 . . . 1 25 26 . . 48477328 . 7.996110296 . 124.3296015 . A 21 LYS H A 21 LYS N 1 . . . 1 26 27 . . 131651224 . 8.095100941 . 124.246825 . A 114 ILE H A 114 ILE N 1 . . . 1 27 28 . . 44314428 . 7.757856089 . 124.2676312 . A 58 LYS H A 58 LYS N 1 . . . 1 28 29 . . 46895832 . 7.840663185 . 124.2001602 . A 27 GLU H A 27 GLU N 1 . . . 1 29 30 . . 39484708 . 8.220296606 . 124.0705375 . A 63 THR H A 63 THR N 1 . . . 1 30 31 . . 41551724 . 8.079981853 . 123.7771382 . A 62 VAL H A 62 VAL N 1 . . . 1 31 32 . . 17366710 . 8.155117149 . 123.5958646 . A 137 ARG H A 137 ARG N 1 . . . 1 32 33 . . 35454144 . 9.001527478 . 123.4453296 . A 39 LYS H A 39 LYS N 1 . . . 1 33 34 . . 113447464 . 8.041674498 . 123.4481065 . A 131 ILE H A 131 ILE N 1 . . . 1 34 35 . . 40193608 . 9.059288698 . 123.3163958 . A 42 ALA H A 42 ALA N 1 . . . 1 35 36 . . 30595938 . 8.115231392 . 123.242937 . A 142 LYS H A 142 LYS N 1 . . . 1 36 37 . . 58821028 . 8.053423926 . 123.2390164 . A 95 ALA H A 95 ALA N 1 . . . 1 37 38 . . 33595684 . 9.001024298 . 123.1751206 . A 12 LYS H A 12 LYS N 1 . . . 1 38 39 . . 19017486 . 8.319270216 . 123.1627234 . A 133 ASN H A 133 ASN N 1 . . . 1 39 40 . . 84928640 . 8.501246025 . 122.9878881 . A 71 GLU H A 71 GLU N 1 . . . 1 40 41 . . 73297592 . 8.14448329 . 122.9179718 . A 124 LYS H A 124 LYS N 1 . . . 1 41 42 . . 142620944 . 8.075936145 . 122.8871034 . A 106 VAL H A 106 VAL N 1 . . . 1 42 43 . . 42938552 . 8.304165474 . 122.8285091 . A 9 LYS H A 9 LYS N 1 . . . 1 43 44 . . 114257128 . 7.933530306 . 122.6154329 . A 73 LEU H A 73 LEU N 1 . . . 1 44 45 . . 85785144 . 8.000166046 . 122.5456293 . A 89 LEU H A 89 LEU N 1 . . . 1 45 46 . . 19556484 . 8.063259259 . 122.4011786 . A 92 GLN H A 92 GLN N 1 . . . 1 46 47 . . 106435312 . 8.108139881 . 122.3267108 . A 109 VAL H A 109 VAL N 1 . . . 1 47 48 . . 100301248 . 8.143808856 . 122.2402073 . A 101 ARG H A 101 ARG N 1 . . . 1 48 49 . . 36334304 . 8.011664242 . 122.2475572 . A 141 GLN H A 141 GLN N 1 . . . 1 49 50 . . 32887566 . 8.8150824 . 122.1627813 . A 44 ASP H A 44 ASP N 1 . . . 1 50 51 . . 151971488 . 8.100745314 . 121.9634714 . A 120 LEU H A 120 LEU N 1 . . . 1 51 52 . . 111314368 . 7.924351475 . 121.9673148 . A 84 VAL H A 84 VAL N 1 . . . 1 52 53 . . 50440124 . 8.12783888 . 121.8604537 . A 31 ALA H A 31 ALA N 1 . . . 1 53 54 . . 51161848 . 9.141852542 . 121.8209113 . A 18 LYS H A 18 LYS N 1 . . . 1 54 55 . . 25957166 . 8.184408678 . 121.8024346 . A 138 GLN H A 138 GLN N 1 . . . 1 55 56 . . 76412504 . 7.935281037 . 121.6977281 . A 75 PHE H A 75 PHE N 1 . . . 1 56 57 . . 34600624 . 8.117911196 . 121.55677 . A 41 TYR H A 41 TYR N 1 . . . 1 57 58 . . 55345560 . 8.014410754 . 121.4799158 . A 47 VAL H A 47 VAL N 1 . . . 1 58 59 . . 55153936 . 7.91421972 . 121.4370665 . A 50 GLU H A 50 GLU N 1 . . . 1 59 60 . . 186980128 . 7.807086372 . 121.2960686 . A 99 VAL H A 99 VAL N 1 . . . 1 60 61 . . 56968936 . 8.465805687 . 121.2778559 . A 53 TYR H A 53 TYR N 1 . . . 1 61 62 . . 32422454 . 8.344950895 . 121.2862047 . A 38 PHE H A 38 PHE N 1 . . . 1 62 63 . . 50961728 . 8.158027025 . 121.2689759 . A 121 GLN H A 121 GLN N 1 . . . 1 63 64 . . 85691176 . 7.916300047 . 121.0716757 . A 32 ALA H A 32 ALA N 1 . . . 1 64 65 . . 54498064 . 8.093777716 . 120.9928559 . A 93 MET H A 93 MET N 1 . . . 1 65 66 . . 31643600 . 8.231025327 . 120.9313399 . A 108 GLN H A 108 GLN N 1 . . . 1 66 67 . . 86413200 . 8.203283329 . 120.739792 . A 56 ALA H A 56 ALA N 1 . . . 1 67 68 . . 202582416 . 7.960000545 . 120.3610309 . A 104 VAL H A 104 VAL N 1 . . . 1 68 70 . . 67310384 . 8.269765927 . 120.1534891 . A 8 MET H A 8 MET N 1 . . . 1 69 71 . . 96728880 . 7.927210602 . 120.0796189 . A 74 TYR H A 74 TYR N 1 . . . 1 70 72 . . 65409836 . 7.988002382 . 119.8187373 . A 145 TYR H A 145 TYR N 1 . . . 1 71 73 . . 74656944 . 7.930377985 . 119.6189382 . A 10 GLN H A 10 GLN N 1 . . . 1 72 74 . . 59687368 . 8.217191627 . 119.4878933 . A 72 ASN H A 72 ASN N 1 . . . 1 73 75 . . 52574508 . 8.266815883 . 119.3743422 . A 23 GLU H A 23 GLU N 1 . . . 1 74 76 . . 90053152 . 7.956594841 . 119.3355648 . A 140 PHE H A 140 PHE N 1 . . . 1 75 77 . . 46809176 . 8.178481871 . 118.3447612 . A 43 ASN H A 43 ASN N 1 . . . 1 76 78 . . 36522064 . 8.954878013 . 117.5156393 . A 61 THR H A 61 THR N 1 . . . 1 77 79 . . 13753542 . 8.102263822 . 117.4044048 . A 66 SER H A 66 SER N 1 . . . 1 78 80 . . 42282040 . 8.243813753 . 117.3706392 . A 35 GLU H A 35 GLU N 1 . . . 1 79 81 . . 54860900 . 8.15176309 . 116.9838222 . A 33 THR H A 33 THR N 1 . . . 1 80 82 . . 43096884 . 8.656449974 . 116.7377219 . A 24 THR H A 24 THR N 1 . . . 1 81 83 . . 16661152 . 7.909926008 . 116.7228998 . A 136 THR H A 136 THR N 1 . . . 1 82 85 . . 28054242 . 8.126933657 . 116.3094065 . A 70 SER H A 70 SER N 1 . . . 1 83 86 . . 21492182 . 7.974838633 . 115.8914109 . A 122 THR H A 122 THR N 1 . . . 1 84 88 . . 52753076 . 8.620591633 . 115.7472617 . A 29 VAL H A 29 VAL N 1 . . . 1 85 89 . . 33938172 . 8.870397833 . 115.4910508 . A 26 THR H A 26 THR N 1 . . . 1 86 90 . . 36910000 . 9.128146252 . 114.9854466 . A 52 THR H A 52 THR N 1 . . . 1 87 91 . . 27687218 . 7.979839237 . 114.6991236 . A 96 SER H A 96 SER N 1 . . . 1 88 92 . . 20037350 . 8.026108896 . 114.5936917 . A 87 SER H A 87 SER N 1 . . . 1 89 93 . . 50946228 . 8.663568271 . 113.316279 . A 65 GLY H A 65 GLY N 1 . . . 1 90 94 . . 24909370 . 8.075037019 . 113.19829 . A 135 THR H A 135 THR N 1 . . . 1 91 95 . . 42284592 . 7.986583667 . 112.8212417 . A 25 THR H A 25 THR N 1 . . . 1 92 96 . . 16110253 . 8.50114139 . 112.0289576 . A 69 GLY H A 69 GLY N 1 . . . 1 93 97 . . 52056668 . 7.808412825 . 110.5925901 . A 17 GLY H A 17 GLY N 1 . . . 1 94 98 . . 45610584 . 8.286648747 . 110.096221 . A 22 GLY H A 22 GLY N 1 . . . 1 95 99 . . 38021604 . 8.708988835 . 109.457328 . A 19 THR H A 19 THR N 1 . . . 1 96 100 . . 85491656 . 7.869910601 . 108.2251386 . A 49 GLY H A 49 GLY N 1 . . . 1 97 101 . . 28029028 . 7.765196638 . 109.2982772 . A 77 GLY H A 77 GLY N 1 . . . 1 98 102 . . 39975864 . 7.692196125 . 108.8380859 . A 46 GLY H A 46 GLY N 1 . . . 1 99 103 . . 45931900 . 6.908172576 . 124.2774583 . A 34 ALA H A 34 ALA N 1 . . . 1 100 104 . . 43461460 . 7.179214394 . 121.176503 . A 37 VAL H A 37 VAL N 1 . . . 1 101 105 . . 50707556 . 7.343818885 . 120.2877194 . A 40 GLN H A 40 GLN N 1 . . . 1 102 106 . . 49462132 . 6.844642263 . 117.3060964 . A 36 LYS H A 36 LYS N 1 . . . 1 103 107 . . 22396348 . 7.26535329 . 115.9593014 . A 45 ASN H A 45 ASN N 1 . . . 1 104 108 . . 75912880 . 7.253857 . 115.7000293 . A 30 ASP H A 30 ASP N 1 . . . 1 105 109 . . 55309908 . 7.516447691 . 129.1024864 . A 54 ASP H A 54 ASP N 1 . . . 1 106 110 . . 53616440 . 7.211107587 . 125.5405286 . A 20 LEU H A 20 LEU N 1 . . . 1 107 111 . . 56728812 . 6.894276528 . 103.9880696 . A 57 THR H A 57 THR N 1 . . . 1 108 112 . . 11353681 . 8.218981672 . 122.9742689 . A 143 ARG H A 143 ARG N 1 . . . 1 109 114 . . 12619411 . 8.0620421 . 115.1650805 . A 91 SER H A 91 SER N 1 . . . 1 110 117 . . 58336738.23 . 7.995506334 . 120.6050842 . A 98 LYS H A 98 LYS N 1 . . . 1 111 119 . . 41820129.69 . 8.116791148 . 124.3588873 . A 90 ALA H A 90 ALA N 1 . . . 1 112 121 . . 31222866.28 . 8.394532474 . 125.5183157 . A 115 GLN H A 115 GLN N 1 . . . 1 113 122 . . 74905416 . 8.037627176 . 125.1042978 . A 123 LEU H A 123 LEU N 1 . . . 1 114 124 . . 60598572 . 7.25611136 . 111.7437528 . A 59 THR H A 59 THR N 1 . . . 1 115 126 . . 12262969 . 10.28815768 . 131.5736142 . A 60 PHE H A 60 PHE N 1 . . . 1 116 127 . . 52826285.44 . 8.123639113 . 122.3792517 . A 76 GLN H A 76 GLN N 1 . . . 1 117 128 . . 7708127.775 . 8.016228177 . 117.6685744 . A 146 SER H A 146 SER N 1 . . . 1 118 129 . . 10856049.17 . 8.11931855 . 117.2909176 . A 113 THR H A 113 THR N 1 . . . 1 119 130 . . 10276303.41 . 8.127198089 . 116.4518837 . A 116 THR H A 116 THR N 1 . . . 1 120 131 . . 8003745.109 . 8.298615978 . 111.7824438 . A 117 GLY H A 117 GLY N 1 . . . 1 121 132 . . 14633817.45 . 8.196743977 . 124.9867223 . A 134 ALA H A 134 ALA N 1 . . . 1 122 133 . . 5146920.311 . 8.149813655 . 118.4398693 . A 147 SER H A 147 SER N 1 . . . 1 ; 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 . aliased 5.45298 ppm . . . . . . 51093 1 2 . . N 15 N . aliased 36.0032 ppm . . . . . . 51093 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 51093 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 51093 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name PL_HNCACB_GB1_pSu9(1-69) _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 2 _Spectral_peak_list.Experiment_name '3D HNCO' _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 ; _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 1 . . 6223344.5 . 7.992800652 . 129.445866 . 174.4664335 . A 64 GLU H A 64 GLU N A 63 THR C 1 . . . 1 2 4 . . 32598342 . 8.223419484 . 128.8085238 . 175.5929809 . A 100 ALA H A 100 ALA N A 99 VAL C 1 . . . 1 3 5 . . 28980296 . 8.29260784 . 128.744441 . 175.711 . A 107 ALA H A 107 ALA N A 106 VAL C 1 . . . 1 4 6 . . 7830077 . 8.335655451 . 127.9383288 . 173.6568182 . A 48 ASP H A 48 ASP N A 47 VAL C 1 . . . 1 5 7 . . 2478246.693 . 8.93995762 . 126.842 . 174.5257992 . A 14 ILE H A 14 ILE N A 13 LEU C 1 . . . 1 6 8 . . 1826657.357 . 8.937647523 . 126.842 . 174.6145069 . A 14 ILE H A 14 ILE N A 14 ILE C 1 . . . 1 7 11 . . 1808872.214 . 8.592905702 . 126.5044558 . 174.7352984 . A 15 LEU H A 15 LEU N A 15 LEU C 1 . . . 1 8 12 . . 2802894.923 . 8.586166104 . 126.5044558 . 174.6533449 . A 15 LEU H A 15 LEU N A 14 ILE C 1 . . . 1 9 16 . . 67388320 . 7.695915739 . 126.4237711 . 176.4152574 . A 149 GLU H A 149 GLU N A 148 LEU C 1 . . . 1 10 18 . . 5064868 . 8.701712884 . 126.0828268 . 174.8922797 . A 16 ASN H A 16 ASN N A 15 LEU C 1 . . . 1 11 20 . . 16622900 . 8.293690003 . 126.1001327 . 175.9261651 . A 105 ARG H A 105 ARG N A 104 VAL C 1 . . . 1 12 22 . . 17828846 . 8.13840138 . 125.8849308 . 176.5890396 . A 85 LEU H A 85 LEU N A 84 VAL C 1 . . . 1 13 23 . . 7729586.5 . 7.971825567 . 125.9045222 . 174.5147692 . A 97 ALA H A 97 ALA N A 96 SER C 1 . . . 1 14 24 . . 9144973 . 8.183968841 . 125.7819103 . 175.7467616 . A 144 ALA H A 144 ALA N A 143 ARG C 1 . . . 1 17 28 . . 3225882.75 . 9.024861276 . 125.2285511 . 175.1021821 . A 11 TYR H A 11 TYR N A 10 GLN C 1 . . . 1 19 32 . . 9505430 . 8.115376464 . 125.2123756 . 175.8899793 . A 139 ALA H A 139 ALA N A 138 GLN C 1 . . . 1 20 33 . . 4821314 . 9.282896027 . 125.0557198 . 175.9704386 . A 28 ALA H A 28 ALA N A 27 GLU C 1 . . . 1 21 34 . . 4740144 . 8.184761406 . 124.8741199 . 177.5453483 . A 86 ALA H A 86 ALA N A 85 LEU C 1 . . . 1 22 40 . . -688844.6438 . 8.031551889 . 124.643279 . 175.8218775 . A 132 VAL H A 132 VAL N A 132 VAL C 1 . . . 1 23 41 . . 26851109.97 . 8.031551889 . 124.643279 . 176.2857064 . A 132 VAL H A 132 VAL N A 131 ILE C 1 . . . 1 24 42 . . 23245758 . 8.038739808 . 124.9032769 . 176.6608655 . A 94 ALA H A 94 ALA N A 93 MET C 1 . . . 1 25 44 . . 58434728 . 8.138590449 . 124.6000359 . 174.2553574 . A 148 LEU H A 148 LEU N A 147 SER C 1 . . . 1 26 45 . . 7613603.5 . 8.008654653 . 124.3532496 . 173.3843689 . A 21 LYS H A 21 LYS N A 20 LEU C 1 . . . 1 27 47 . . 17034506 . 8.095297383 . 120.9687638 . 176.7790567 . A 93 MET H A 93 MET N A 92 GLN C 1 . . . 1 28 48 . . 16423.95077 . 7.729390339 . 124.2676312 . 174.8691232 . A 58 LYS H A 58 LYS N A 58 LYS C 1 . . . 1 29 49 . . 5983558.699 . 7.729390339 . 124.2676312 . 175.156602 . A 58 LYS H A 58 LYS N A 57 THR C 1 . . . 1 30 50 . . 6167641.574 . 7.826273178 . 124.2001602 . 171.2318258 . A 27 GLU H A 27 GLU N A 26 THR C 1 . . . 1 31 51 . . 4039.050271 . 7.824132484 . 124.2001602 . 175.9467257 . A 27 GLU H A 27 GLU N A 27 GLU C 1 . . . 1 32 52 . . 3549608.823 . 8.201079873 . 124.071 . 173.238096 . A 63 THR H A 63 THR N A 62 VAL C 1 . . . 1 35 55 . . 17595846.47 . 8.095100941 . 124.246825 . 174.3363437 . A 114 ILE H A 114 ILE N A 113 THR C 1 . . . 1 36 56 . . 79420.97803 . 8.095100941 . 124.246825 . 175.9853234 . A 114 ILE H A 114 ILE N A 114 ILE C 1 . . . 1 37 57 . . 64149.54122 . 8.079981853 . 123.7771382 . 173.2261738 . A 62 VAL H A 62 VAL N A 62 VAL C 1 . . . 1 38 58 . . 3946506.56 . 8.079981853 . 123.7771382 . 172.586534 . A 62 VAL H A 62 VAL N A 61 THR C 1 . . . 1 39 64 . . 5514622 . 8.16014643 . 123.5953407 . 174.7210188 . A 137 ARG H A 137 ARG N A 136 THR C 1 . . . 1 40 66 . . 5176445 . 8.983416837 . 123.3964935 . 178.2877265 . A 39 LYS H A 39 LYS N A 38 PHE C 1 . . . 1 41 72 . . 9270998 . 8.120241984 . 123.270635 . 175.5159714 . A 142 LYS H A 142 LYS N A 141 GLN C 1 . . . 1 42 75 . . 11297691 . 8.046090352 . 123.3547205 . 178.0544689 . A 95 ALA H A 95 ALA N A 94 ALA C 1 . . . 1 44 77 . . 3437983.876 . 8.98243767 . 123.171 . 174.7803486 . A 12 LYS H A 12 LYS N A 11 TYR C 1 . . . 1 45 79 . . 48865.56592 . 8.3331587 . 123.163 . 174.9701479 . A 133 ASN H A 133 ASN N A 133 ASN C 1 . . . 1 47 83 . . 26549256 . 8.498039081 . 122.8860491 . 174.7736124 . A 71 GLU H A 71 GLU N A 70 SER C 1 . . . 1 48 87 . . 17834556 . 8.157610168 . 123.003217 . 177.2342548 . A 124 LYS H A 124 LYS N A 123 LEU C 1 . . . 1 49 89 . . 192096.8219 . 8.097727055 . 122.913 . 175.7111043 . A 106 VAL H A 106 VAL N A 106 VAL C 1 . . . 1 50 90 . . 28801100.88 . 8.099928154 . 122.913 . 175.9827827 . A 106 VAL H A 106 VAL N A 105 ARG C 1 . . . 1 51 91 . . 5743011.5 . 8.304165474 . 122.8285091 . 176.0054793 . A 9 LYS H A 9 LYS N A 8 MET C 1 . . . 1 52 92 . . 29272688 . 7.942822392 . 122.5683765 . 175.1132315 . A 73 LEU H A 73 LEU N A 72 ASN C 1 . . . 1 54 94 . . 6099643 . 8.063259259 . 122.4011786 . 175.3850506 . A 92 GLN H A 92 GLN N A 91 SER C 1 . . . 1 55 96 . . 83774.24263 . 8.164073478 . 122.285 . 174.0455389 . A 101 ARG H A 101 ARG N A 101 ARG C 1 . . . 1 56 97 . . 28248504.89 . 8.164073478 . 122.285 . 177.1899656 . A 101 ARG H A 101 ARG N A 100 ALA C 1 . . . 1 57 98 . . 12027315 . 8.005024791 . 122.2795717 . 175.7448293 . A 141 GLN H A 141 GLN N A 140 PHE C 1 . . . 1 61 104 . . 7205738 . 9.129887318 . 121.7631888 . 173.3401696 . A 18 LYS H A 18 LYS N A 17 GLY C 1 . . . 1 62 105 . . 8098875 . 8.187286283 . 121.7990507 . 176.466409 . A 138 GLN H A 138 GLN N A 137 ARG C 1 . . . 1 63 106 . . 16088551 . 7.940335266 . 121.7261456 . 175.6982861 . A 75 PHE H A 75 PHE N A 74 TYR C 1 . . . 1 64 108 . . 141004.6975 . 7.996201723 . 121.477 . 173.630573 . A 47 VAL H A 47 VAL N A 47 VAL C 1 . . . 1 65 109 . . 7232249.229 . 7.992999066 . 121.477 . 174.1243644 . A 47 VAL H A 47 VAL N A 46 GLY C 1 . . . 1 66 111 . . 55281176 . 7.807086372 . 121.2960686 . 176.5108528 . A 99 VAL H A 99 VAL N A 98 LYS C 1 . . . 1 67 112 . . 2860435.178 . 8.465805687 . 121.2778559 . 172.7393063 . A 53 TYR H A 53 TYR N A 52 THR C 1 . . . 1 68 113 . . -64769.59183 . 8.465805687 . 121.2778559 . 173.1042414 . A 53 TYR H A 53 TYR N A 53 TYR C 1 . . . 1 69 114 . . 12110.08822 . 8.322960914 . 121.293 . 178.2714716 . A 38 PHE H A 38 PHE N A 38 PHE C 1 . . . 1 70 115 . . 4126833.86 . 8.322834816 . 121.293 . 179.7251938 . A 38 PHE H A 38 PHE N A 37 VAL C 1 . . . 1 71 116 . . 16990008 . 8.158027025 . 121.2689759 . 177.6489581 . A 121 GLN H A 121 GLN N A 120 LEU C 1 . . . 1 72 117 . . 12816415 . 7.920874757 . 120.9886585 . 179.165067 . A 32 ALA H A 32 ALA N A 31 ALA C 1 . . . 1 73 118 . . 10012309 . 8.248222956 . 120.9792722 . 177.4365419 . A 108 GLN H A 108 GLN N A 107 ALA C 1 . . . 1 74 119 . . 60671.76025 . 8.247814092 . 121.036 . 175.9512858 . A 108 GLN H A 108 GLN N A 108 GLN C 1 . . . 1 75 120 . . 15994174 . 8.202253777 . 120.6681043 . 178.1182759 . A 56 ALA H A 56 ALA N A 55 ASP C 1 . . . 1 77 123 . . 28153.45189 . 8.286745742 . 120.153 . 175.9861085 . A 8 MET H A 8 MET N A 8 MET C 1 . . . 1 78 124 . . 19245434 . 7.935940921 . 120.0593463 . 177.0840718 . A 74 TYR H A 74 TYR N A 73 LEU C 1 . . . 1 79 125 . . 379054.5647 . 8.00221688 . 119.948 . 175.7187152 . A 145 TYR H A 145 TYR N A 145 TYR C 1 . . . 1 80 126 . . 9857734 . 7.93539958 . 119.5470908 . 173.9950614 . A 10 GLN H A 10 GLN N A 9 LYS C 1 . . . 1 81 127 . . 17067270 . 8.217024765 . 119.4878531 . 176.2785106 . A 72 ASN H A 72 ASN N A 71 GLU C 1 . . . 1 82 128 . . 9041538 . 8.274294307 . 119.3331085 . 171.2481813 . A 23 GLU H A 23 GLU N A 22 GLY C 1 . . . 1 83 129 . . 27339126 . 7.965828952 . 119.3774924 . 177.6248842 . A 140 PHE H A 140 PHE N A 139 ALA C 1 . . . 1 84 130 . . 5179270.884 . 8.178481871 . 118.3447612 . 179.3112631 . A 43 ASN H A 43 ASN N A 42 ALA C 1 . . . 1 85 131 . . 4323587 . 8.939436716 . 117.4438605 . 174.5800848 . A 61 THR H A 61 THR N A 60 PHE C 1 . . . 1 86 133 . . 4786463.5 . 8.241332235 . 117.3109928 . 177.1056458 . A 35 GLU H A 35 GLU N A 34 ALA C 1 . . . 1 87 134 . . 5530082.146 . 8.125905478 . 116.988 . 180.8152856 . A 33 THR H A 33 THR N A 32 ALA C 1 . . . 1 88 135 . . -23365.8326 . 8.123517185 . 116.988 . 176.0819947 . A 33 THR H A 33 THR N A 33 THR C 1 . . . 1 89 136 . . 3604127.02 . 8.656449974 . 116.7377219 . 175.2389784 . A 24 THR H A 24 THR N A 23 GLU C 1 . . . 1 90 137 . . -41697.92101 . 8.656449974 . 116.7377219 . 172.0158416 . A 24 THR H A 24 THR N A 24 THR C 1 . . . 1 91 138 . . 5040337.5 . 7.911478107 . 116.7950508 . 175.1403641 . A 136 THR H A 136 THR N A 135 THR C 1 . . . 1 92 140 . . 6512490 . 8.128056973 . 116.2812021 . 174.537213 . A 70 SER H A 70 SER N A 69 GLY C 1 . . . 1 93 141 . . 5298366.5 . 7.974838633 . 115.8914109 . 176.1969034 . A 122 THR H A 122 THR N A 121 GLN C 1 . . . 1 94 144 . . 6394798.5 . 8.630420988 . 115.6174929 . 177.5379307 . A 29 VAL H A 29 VAL N A 28 ALA C 1 . . . 1 95 145 . . 4133897.031 . 8.846204977 . 115.49 . 173.9936497 . A 26 THR H A 26 THR N A 25 THR C 1 . . . 1 96 146 . . -41125.14927 . 8.8456106 . 115.49 . 171.2224706 . A 26 THR H A 26 THR N A 26 THR C 1 . . . 1 97 147 . . 5677607 . 9.120173094 . 114.8962285 . 176.9595357 . A 52 THR H A 52 THR N A 51 TRP C 1 . . . 1 98 148 . . 8700427 . 7.980637667 . 114.714375 . 178.3687906 . A 96 SER H A 96 SER N A 95 ALA C 1 . . . 1 99 150 . . 5339220.5 . 8.026108896 . 114.5936917 . 178.9437537 . A 87 SER H A 87 SER N A 86 ALA C 1 . . . 1 100 151 . . 8155201.5 . 8.675304812 . 113.3477683 . 176.1270805 . A 65 GLY H A 65 GLY N A 64 GLU C 1 . . . 1 101 152 . . 7068393 . 8.077979405 . 113.2330022 . 178.2229008 . A 135 THR H A 135 THR N A 134 ALA C 1 . . . 1 102 153 . . 106493.624 . 7.986583667 . 112.8212417 . 173.9870535 . A 25 THR H A 25 THR N A 25 THR C 1 . . . 1 103 154 . . 3772918.258 . 7.986583667 . 112.8212417 . 172.0158506 . A 25 THR H A 25 THR N A 24 THR C 1 . . . 1 105 156 . . 6531781 . 7.797528574 . 110.6096068 . 175.4057333 . A 17 GLY H A 17 GLY N A 16 ASN C 1 . . . 1 106 157 . . 6109492.5 . 8.274710833 . 110.0839884 . 176.2452959 . A 22 GLY H A 22 GLY N A 21 LYS C 1 . . . 1 107 158 . . 5711872.5 . 8.704437814 . 109.3541672 . 178.7183808 . A 19 THR H A 19 THR N A 18 LYS C 1 . . . 1 108 159 . . 111302.9725 . 7.84807788 . 108.225 . 171.7194345 . A 49 GLY H A 49 GLY N A 49 GLY C 1 . . . 1 109 160 . . 10757068.88 . 7.847995101 . 108.225 . 174.5796637 . A 49 GLY H A 49 GLY N A 48 ASP C 1 . . . 1 110 161 . . 5999077 . 7.744563557 . 109.2770866 . 176.2021474 . A 77 GLY H A 77 GLY N A 76 GLN C 1 . . . 1 111 162 . . 4201838.741 . 7.658534382 . 108.8381797 . 173.9308496 . A 46 GLY H A 46 GLY N A 45 ASN C 1 . . . 1 112 163 . . 530104.5091 . 7.66038246 . 108.8381797 . 174.1008728 . A 46 GLY H A 46 GLY N A 46 GLY C 1 . . . 1 113 164 . . 6099475.21 . 6.875077677 . 124.277 . 176.1179098 . A 34 ALA H A 34 ALA N A 33 THR C 1 . . . 1 114 165 . . 11855.31009 . 6.874449105 . 124.277 . 177.0733398 . A 34 ALA H A 34 ALA N A 34 ALA C 1 . . . 1 115 166 . . 5392293.854 . 7.133947405 . 121.177 . 179.9654461 . A 37 VAL H A 37 VAL N A 36 LYS C 1 . . . 1 116 167 . . -220037.9793 . 7.132949443 . 121.177 . 179.6940004 . A 37 VAL H A 37 VAL N A 37 VAL C 1 . . . 1 117 168 . . 94732.0414 . 7.311636466 . 120.288 . 177.004034 . A 40 GLN H A 40 GLN N A 40 GLN C 1 . . . 1 118 169 . . 6044042.15 . 7.312318081 . 120.288 . 179.4759859 . A 40 GLN H A 40 GLN N A 39 LYS C 1 . . . 1 119 170 . . 5517182.417 . 6.805583592 . 117.306 . 177.2954648 . A 36 LYS H A 36 LYS N A 35 GLU C 1 . . . 1 120 171 . . -42841.19585 . 6.805441097 . 117.306 . 179.9320985 . A 36 LYS H A 36 LYS N A 36 LYS C 1 . . . 1 121 172 . . 18878.86765 . 7.219205701 . 115.7 . 174.5359921 . A 30 ASP H A 30 ASP N A 30 ASP C 1 . . . 1 122 173 . . 9256654.318 . 7.219205701 . 115.7 . 175.049347 . A 30 ASP H A 30 ASP N A 29 VAL C 1 . . . 1 123 174 . . -25074.55956 . 7.26535329 . 115.9593014 . 173.9184417 . A 45 ASN H A 45 ASN N A 45 ASN C 1 . . . 1 124 175 . . 2951533.661 . 7.26535329 . 115.9593014 . 177.032083 . A 45 ASN H A 45 ASN N A 44 ASP C 1 . . . 1 125 176 . . 4142332.312 . 7.486023992 . 129.102 . 173.1109434 . A 54 ASP H A 54 ASP N A 53 TYR C 1 . . . 1 126 177 . . 20308.00309 . 7.486023992 . 129.102 . 174.5170831 . A 54 ASP H A 54 ASP N A 54 ASP C 1 . . . 1 127 178 . . 9667279 . 7.199154484 . 125.5629908 . 173.8042335 . A 20 LEU H A 20 LEU N A 19 THR C 1 . . . 1 128 179 . . 6546689.283 . 6.863314241 . 103.988 . 179.8258989 . A 57 THR H A 57 THR N A 56 ALA C 1 . . . 1 129 180 . . 71340.15846 . 6.863314241 . 103.988 . 175.1383239 . A 57 THR H A 57 THR N A 57 THR C 1 . . . 1 130 181 . . 2265243.023 . 8.21425747 . 122.956 . 176.3478509 . A 143 ARG H A 143 ARG N A 142 LYS C 1 . . . 1 131 182 . . -7034.698144 . 8.21425747 . 122.956 . 175.717822 . A 143 ARG H A 143 ARG N A 143 ARG C 1 . . . 1 132 183 . . 61438671.77 . 7.984154671 . 120.605 . 177.6918748 . A 98 LYS H A 98 LYS N A 97 ALA C 1 . . . 1 133 189 . . 8722061.931 . 8.116791148 . 124.3588873 . 177.9584715 . A 90 ALA H A 90 ALA N A 89 LEU C 1 . . . 1 134 190 . . -31052.18362 . 8.116791148 . 124.3588873 . 178.5817494 . A 90 ALA H A 90 ALA N A 90 ALA C 1 . . . 1 135 191 . . 9866644 . 8.409321182 . 125.6058833 . 176.0074934 . A 115 GLN H A 115 GLN N A 114 ILE C 1 . . . 1 136 192 . . 230352.0534 . 8.037627176 . 125.1042978 . 177.2270889 . A 123 LEU H A 123 LEU N A 123 LEU C 1 . . . 1 137 193 . . 20767335.22 . 8.037627176 . 125.1042978 . 174.4960408 . A 123 LEU H A 123 LEU N A 122 THR C 1 . . . 1 138 195 . . -45604.20205 . 8.117033903 . 121.862 . 179.1506343 . A 31 ALA H A 31 ALA N A 31 ALA C 1 . . . 1 139 196 . . 5264566.547 . 8.117033903 . 121.862 . 174.534399 . A 31 ALA H A 31 ALA N A 30 ASP C 1 . . . 1 140 199 . . 2339714 . 8.069568208 . 115.1529719 . 178.5817494 . A 91 SER H A 91 SER N A 90 ALA C 1 . . . 1 141 204 . . 25364532 . 8.108139881 . 122.3267108 . 175.9453469 . A 109 VAL H A 109 VAL N A 108 GLN C 1 . . . 1 142 205 . . 7683129 . 7.25611136 . 111.7437528 . 174.8907859 . A 59 THR H A 59 THR N A 58 LYS C 1 . . . 1 143 206 . . 1809952.125 . 8.008057546 . 117.7249729 . 175.723882 . A 146 SER H A 146 SER N A 145 TYR C 1 . . . 1 144 207 . . 3488553.93 . 8.105953172 . 121.5161273 . 177.0169426 . A 41 TYR H A 41 TYR N A 40 GLN C 1 . . . 1 145 208 . . 6052344 . 8.8150824 . 122.1627813 . 179.3433768 . A 44 ASP H A 44 ASP N A 43 ASN C 1 . . . 1 146 209 . . 3954668.367 . 9.20309955 . 128.8861811 . 176.894891 . A 51 TRP H A 51 TRP N A 50 GLU C 1 . . . 1 147 210 . . 47518133.41 . 7.975337476 . 120.4066983 . 177.6951977 . A 104 VAL H A 104 VAL N A 103 ALA C 1 . . . 1 149 212 . . 1535630.229 . 8.136141599 . 116.4518837 . 175.9659683 . A 116 THR H A 116 THR N A 115 GLN C 1 . . . 1 150 213 . . 2033677 . 8.310216232 . 111.7551047 . 174.9493726 . A 117 GLY H A 117 GLY N A 116 THR C 1 . . . 1 151 214 . . 3234471 . 8.210435344 . 124.9950702 . 175.0079593 . A 134 ALA H A 134 ALA N A 133 ASN C 1 . . . 1 152 215 . . 1183998.154 . 8.160399308 . 118.4398693 . 174.1294689 . A 147 SER H A 147 SER N A 146 SER C 1 . . . 1 ; 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 . aliased 4.1321 ppm . . . . . . 51093 2 2 . . N 15 N . aliased 36.0032 ppm . . . . . . 51093 2 3 . . C 13 CA/CB . aliased 69.9394 ppm . . . . . . 51093 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 51093 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 51093 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name PL_HNCO_GB1_pSu9(1-69) _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 3 _Spectral_peak_list.Experiment_name '3D HN(CA)CO' _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 ; _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 1 . . 859985.3125 . 7.991926345 . 129.4686708 . 176.1058956 . A 64 GLU H A 64 GLU N A 64 GLU C 1 . . . 1 2 2 . . 913220.25 . 9.206162509 . 128.8658276 . 176.9332403 . A 51 TRP H A 51 TRP N A 51 TRP C 1 . . . 1 3 58 . . -841633.625 . 8.220976031 . 128.7797575 . 177.4437686 . A 100 ALA H A 100 ALA N . . . . 1 . . . 1 4 59 . . 9911055 . 8.222385501 . 128.8297402 . 177.1706158 . A 100 ALA H A 100 ALA N A 100 ALA C 1 . . . 1 5 60 . . 4336294.5 . 8.221850941 . 128.8338197 . 175.5717535 . A 100 ALA H A 100 ALA N A 99 VAL C 1 . . . 1 6 62 . . 8466854 . 8.288958695 . 128.7141827 . 177.4195322 . A 107 ALA H A 107 ALA N A 107 ALA C 1 . . . 1 7 63 . . 3416101 . 8.28760784 . 128.741441 . 175.711 . A 107 ALA H A 107 ALA N A 106 VAL C 1 . . . 1 8 64 . . 652913.5 . 8.334538923 . 127.9363785 . 174.5786872 . A 48 ASP H A 48 ASP N A 48 ASP C 1 . . . 1 9 65 . . 498773.875 . 8.335148774 . 127.9695867 . 173.6467441 . A 48 ASP H A 48 ASP N A 47 VAL C 1 . . . 1 10 67 . . 221910.2174 . 8.93995762 . 126.842 . 174.5253414 . A 14 ILE H A 14 ILE N A 13 LEU C 1 . . . 1 11 68 . . 331467.2903 . 8.937647523 . 126.842 . 174.6140491 . A 14 ILE H A 14 ILE N A 14 ILE C 1 . . . 1 12 71 . . 282423.1236 . 8.592905702 . 126.5044558 . 174.7348406 . A 15 LEU H A 15 LEU N A 15 LEU C 1 . . . 1 13 72 . . 206236.6688 . 8.586166104 . 126.5044558 . 174.6528871 . A 15 LEU H A 15 LEU N A 14 ILE C 1 . . . 1 14 80 . . 26805724 . 7.69438712 . 126.4265521 . 180.953792 . A 149 GLU H A 149 GLU N A 149 GLU C 1 . . . 1 15 81 . . 7204499 . 7.694549954 . 126.4280287 . 176.405126 . A 149 GLU H A 149 GLU N A 148 LEU C 1 . . . 1 16 87 . . 650647.0625 . 8.702968008 . 126.1212703 . 175.3712635 . A 16 ASN H A 16 ASN N A 16 ASN C 1 . . . 1 17 88 . . 306887.5938 . 8.703788761 . 126.0498249 . 174.8714167 . A 16 ASN H A 16 ASN N A 15 LEU C 1 . . . 1 18 104 . . 6054356 . 8.294031481 . 126.1395555 . 175.9529697 . A 105 ARG H A 105 ARG N A 105 ARG C 1 . . . 1 19 108 . . 2666808.75 . 8.13779531 . 125.8995993 . 177.5186742 . A 85 LEU H A 85 LEU N A 85 LEU C 1 . . . 1 20 109 . . 1467866.375 . 8.136893774 . 125.9073142 . 176.5824546 . A 85 LEU H A 85 LEU N A 84 VAL C 1 . . . 1 21 110 . . 2338363.5 . 7.971232104 . 125.9191408 . 177.6771745 . A 97 ALA H A 97 ALA N A 97 ALA C 1 . . . 1 22 111 . . 2472901 . 8.182916668 . 125.80635 . 177.2451264 . A 144 ALA H A 144 ALA N A 144 ALA C 1 . . . 1 23 112 . . 966781.1875 . 8.182626039 . 125.7914278 . 175.7302013 . A 144 ALA H A 144 ALA N A 143 ARG C 1 . . . 1 24 113 . . 655618.6875 . 8.416064496 . 125.4964159 . 178.0911158 . A 55 ASP H A 55 ASP N A 55 ASP C 1 . . . 1 26 118 . . 1306080.75 . 8.196180369 . 125.4345858 . 177.9616673 . A 80 ALA H A 80 ALA N A 80 ALA C 1 . . . 1 27 121 . . 270001.0625 . 9.028305828 . 125.255214 . 175.0943889 . A 11 TYR H A 11 TYR N A 10 GLN C 1 . . . 1 28 122 . . 241676.125 . 9.023924033 . 125.2112467 . 174.7746713 . A 11 TYR H A 11 TYR N A 11 TYR C 1 . . . 1 29 123 . . 129560.2266 . 9.026450235 . 125.1416902 . 169.8714618 . A 11 TYR H A 11 TYR N . . . . 1 . . . 1 30 168 . . 9278011 . 8.28375682 . 125.2216135 . 177.6771631 . A 103 ALA H A 103 ALA N A 103 ALA C 1 . . . 1 32 171 . . 2772202.25 . 8.115376464 . 125.2123756 . 177.5882695 . A 139 ALA H A 139 ALA N A 139 ALA C 1 . . . 1 33 172 . . 1144372.125 . 8.115376464 . 125.2123756 . 175.8852604 . A 139 ALA H A 139 ALA N A 138 GLN C 1 . . . 1 34 174 . . 785297.625 . 9.282727204 . 125.0806635 . 177.5109208 . A 28 ALA H A 28 ALA N A 28 ALA C 1 . . . 1 35 175 . . 262877.6875 . 9.286865338 . 125.0930601 . 175.9649789 . A 28 ALA H A 28 ALA N A 27 GLU C 1 . . . 1 36 176 . . 1024608.562 . 8.184761406 . 124.8741199 . 178.9437537 . A 86 ALA H A 86 ALA N A 86 ALA C 1 . . . 1 37 177 . . 285947.4375 . 8.184761406 . 124.8741199 . 177.5229484 . A 86 ALA H A 86 ALA N A 85 LEU C 1 . . . 1 38 196 . . 6654855.526 . 8.031551889 . 124.643279 . 175.8214197 . A 132 VAL H A 132 VAL N A 132 VAL C 1 . . . 1 39 197 . . 927501.636 . 8.031551889 . 124.643279 . 176.2852487 . A 132 VAL H A 132 VAL N A 131 ILE C 1 . . . 1 40 198 . . 6906593.5 . 8.038006805 . 124.8754343 . 178.0534914 . A 94 ALA H A 94 ALA N A 94 ALA C 1 . . . 1 42 201 . . 12751092 . 8.138073616 . 124.5969997 . 176.401384 . A 148 LEU H A 148 LEU N A 148 LEU C 1 . . . 1 44 203 . . 1082469.75 . 8.009450047 . 124.3497725 . 176.2305546 . A 21 LYS H A 21 LYS N A 21 LYS C 1 . . . 1 45 204 . . 371816.875 . 8.007248802 . 124.3539883 . 173.3716214 . A 21 LYS H A 21 LYS N A 20 LEU C 1 . . . 1 46 213 . . 5043390.5 . 8.094363179 . 120.9702731 . 176.6694987 . A 93 MET H A 93 MET N . . . . 1 . . . 1 47 214 . . 904015.1387 . 7.729390339 . 124.2676312 . 174.8686655 . A 58 LYS H A 58 LYS N A 58 LYS C 1 . . . 1 48 215 . . 52052.7975 . 7.729390339 . 124.2676312 . 175.1561442 . A 58 LYS H A 58 LYS N A 57 THR C 1 . . . 1 49 216 . . 201220.8402 . 7.826273178 . 124.2001602 . 171.231368 . A 27 GLU H A 27 GLU N A 26 THR C 1 . . . 1 50 217 . . 953520.0094 . 7.824132484 . 124.2001602 . 175.9462679 . A 27 GLU H A 27 GLU N A 27 GLU C 1 . . . 1 51 218 . . 213791.6752 . 8.201079873 . 124.071 . 173.2376383 . A 63 THR H A 63 THR N A 62 VAL C 1 . . . 1 52 219 . . 302488.0811 . 8.198459518 . 124.071 . 174.4255328 . A 63 THR H A 63 THR N A 63 THR C 1 . . . 1 53 220 . . 6266454 . 8.052119511 . 123.5323329 . 176.309738 . A 131 ILE H A 131 ILE N A 131 ILE C 1 . . . 1 54 223 . . 900848.0655 . 8.095100941 . 124.246825 . 174.3358859 . A 114 ILE H A 114 ILE N A 113 THR C 1 . . . 1 55 224 . . 3900515.693 . 8.095100941 . 124.246825 . 175.9848656 . A 114 ILE H A 114 ILE N A 114 ILE C 1 . . . 1 56 225 . . 406907.803 . 8.079981853 . 123.7771382 . 173.2257161 . A 62 VAL H A 62 VAL N A 62 VAL C 1 . . . 1 57 226 . . 185737.1913 . 8.079981853 . 123.7771382 . 172.5860763 . A 62 VAL H A 62 VAL N A 61 THR C 1 . . . 1 58 241 . . 1696550 . 8.153966644 . 123.6701493 . 176.4340037 . A 137 ARG H A 137 ARG N A 137 ARG C 1 . . . 1 59 243 . . 512243.5 . 8.984621819 . 123.4168102 . 179.4609531 . A 39 LYS H A 39 LYS N A 39 LYS C 1 . . . 1 60 251 . . 759054.6875 . 9.044243204 . 123.2774443 . 179.2697575 . A 42 ALA H A 42 ALA N A 42 ALA C 1 . . . 1 61 252 . . 302634 . 9.045565409 . 123.220018 . 178.9370993 . A 42 ALA H A 42 ALA N A 41 TYR C 1 . . . 1 62 268 . . 2645410 . 8.118115497 . 123.2351688 . 176.402699 . A 142 LYS H A 142 LYS N A 142 LYS C 1 . . . 1 63 271 . . 4784848 . 8.046147994 . 123.1835158 . 178.3515337 . A 95 ALA H A 95 ALA N A 95 ALA C 1 . . . 1 64 275 . . 490749.7249 . 8.982070748 . 123.171 . 172.7905523 . A 12 LYS H A 12 LYS N A 12 LYS C 1 . . . 1 65 276 . . 145055.9389 . 8.98243767 . 123.171 . 174.7798908 . A 12 LYS H A 12 LYS N A 11 TYR C 1 . . . 1 66 280 . . 1229359.378 . 8.3331587 . 123.163 . 174.9696901 . A 133 ASN H A 133 ASN N A 133 ASN C 1 . . . 1 68 301 . . 7102972 . 8.495184283 . 122.9297609 . 176.2595788 . A 71 GLU H A 71 GLU N A 71 GLU C 1 . . . 1 69 302 . . 980073 . 8.493039081 . 122.8830491 . 174.7737775 . A 71 GLU H A 71 GLU N A 70 SER C 1 . . . 1 70 309 . . 1257038.25 . 8.156998728 . 122.9513194 . 177.2379497 . A 124 LYS H A 124 LYS N A 123 LEU C 1 . . . 1 71 310 . . 5056663.5 . 8.15881349 . 122.9156833 . 176.6201392 . A 124 LYS H A 124 LYS N A 124 LYS C 1 . . . 1 72 313 . . 6914113.507 . 8.097727055 . 122.913 . 175.7106465 . A 106 VAL H A 106 VAL N A 106 VAL C 1 . . . 1 73 314 . . 3237502.362 . 8.099928154 . 122.913 . 175.982325 . A 106 VAL H A 106 VAL N A 105 ARG C 1 . . . 1 74 315 . . 459378.4062 . 8.304165474 . 122.8285091 . 175.9908617 . A 9 LYS H A 9 LYS N A 8 MET C 1 . . . 1 75 316 . . 886216.5625 . 8.304165474 . 122.8285091 . 173.9810117 . A 9 LYS H A 9 LYS N A 9 LYS C 1 . . . 1 76 317 . . 4646773.5 . 7.942107383 . 122.5526405 . 177.0587782 . A 73 LEU H A 73 LEU N A 73 LEU C 1 . . . 1 77 319 . . 3413419.5 . 7.941374402 . 122.5563281 . 175.1061979 . A 73 LEU H A 73 LEU N A 72 ASN C 1 . . . 1 78 320 . . 3377770.5 . 7.996833448 . 122.4616546 . 177.9272367 . A 89 LEU H A 89 LEU N A 89 LEU C 1 . . . 1 80 323 . . 1301076.375 . 8.063259259 . 122.4011786 . 176.7499286 . A 92 GLN H A 92 GLN N A 92 GLN C 1 . . . 1 81 331 . . 8088446.115 . 8.164073478 . 122.285 . 174.0450811 . A 101 ARG H A 101 ARG N A 101 ARG C 1 . . . 1 82 332 . . 4109358.85 . 8.164073478 . 122.285 . 177.1895078 . A 101 ARG H A 101 ARG N A 100 ALA C 1 . . . 1 83 333 . . 3112734.5 . 8.004178099 . 122.2760169 . 175.4991837 . A 141 GLN H A 141 GLN N A 141 GLN C 1 . . . 1 84 334 . . 789424.875 . 8.8150824 . 122.1627813 . 177.035364 . A 44 ASP H A 44 ASP N A 44 ASP C 1 . . . 1 85 343 . . 10060371 . 8.111644792 . 121.9825501 . 177.6269742 . A 120 LEU H A 120 LEU N A 120 LEU C 1 . . . 1 87 345 . . 8409954 . 7.927734399 . 122.0809039 . 176.5658357 . A 84 VAL H A 84 VAL N A 84 VAL C 1 . . . 1 88 348 . . 777835.1875 . 9.130984678 . 121.7766237 . 178.6961623 . A 18 LYS H A 18 LYS N A 18 LYS C 1 . . . 1 89 349 . . 900132.375 . 8.186916114 . 121.8274685 . 176.4444219 . A 138 GLN H A 138 GLN N A 137 ARG C 1 . . . 1 90 350 . . 2444551.25 . 8.18725792 . 121.8221239 . 175.8691183 . A 138 GLN H A 138 GLN N A 138 GLN C 1 . . . 1 91 355 . . 4273602 . 7.938536823 . 121.7145157 . 175.5527524 . A 75 PHE H A 75 PHE N A 75 PHE C 1 . . . 1 92 384 . . 855156.8069 . 7.996201723 . 121.477 . 173.6301152 . A 47 VAL H A 47 VAL N A 47 VAL C 1 . . . 1 93 385 . . 126566.1783 . 7.992999066 . 121.477 . 174.1239067 . A 47 VAL H A 47 VAL N A 46 GLY C 1 . . . 1 94 394 . . 7213166.5 . 7.807086372 . 121.2960686 . 176.4907579 . A 99 VAL H A 99 VAL N A 98 LYS C 1 . . . 1 95 396 . . 17067212 . 7.807086372 . 121.2960686 . 175.5693188 . A 99 VAL H A 99 VAL N A 99 VAL C 1 . . . 1 96 397 . . 159833.0488 . 8.465805687 . 121.2778559 . 172.7388485 . A 53 TYR H A 53 TYR N A 52 THR C 1 . . . 1 97 398 . . 288618.9785 . 8.465805687 . 121.2778559 . 173.1037837 . A 53 TYR H A 53 TYR N A 53 TYR C 1 . . . 1 98 401 . . 556597.0141 . 8.322960914 . 121.293 . 178.2710138 . A 38 PHE H A 38 PHE N A 38 PHE C 1 . . . 1 99 402 . . 111021.7754 . 8.322834816 . 121.293 . 179.724736 . A 38 PHE H A 38 PHE N A 37 VAL C 1 . . . 1 100 403 . . 1218385.625 . 8.158027025 . 121.2689759 . 177.632551 . A 121 GLN H A 121 GLN N A 120 LEU C 1 . . . 1 101 407 . . 4134756.75 . 8.158027025 . 121.2689759 . 176.1805772 . A 121 GLN H A 121 GLN N A 121 GLN C 1 . . . 1 102 408 . . 318160.5 . 8.158027025 . 121.2689759 . 174.0129063 . A 121 GLN H A 121 GLN N . . . . 1 . . . 1 103 409 . . 1546011.625 . 7.920242954 . 121.0106942 . 180.797399 . A 32 ALA H A 32 ALA N A 32 ALA C 1 . . . 1 104 410 . . 572688.125 . 7.917755729 . 120.9795535 . 179.1355133 . A 32 ALA H A 32 ALA N A 31 ALA C 1 . . . 1 105 412 . . 2303606.898 . 8.247814092 . 121.036 . 175.950828 . A 108 GLN H A 108 GLN N A 108 GLN C 1 . . . 1 106 413 . . 1940246.75 . 8.202027392 . 120.6742119 . 179.7986565 . A 56 ALA H A 56 ALA N A 56 ALA C 1 . . . 1 107 414 . . 635778 . 8.201665591 . 120.6888944 . 178.0926288 . A 56 ALA H A 56 ALA N A 55 ASP C 1 . . . 1 109 419 . . 1741388.915 . 8.286745742 . 120.153 . 175.9856507 . A 8 MET H A 8 MET N A 8 MET C 1 . . . 1 110 420 . . 1170354.875 . 7.933707546 . 120.0968773 . 177.052111 . A 74 TYR H A 74 TYR N A 73 LEU C 1 . . . 1 111 421 . . 3816632 . 7.935175578 . 120.0774043 . 175.6792342 . A 74 TYR H A 74 TYR N A 74 TYR C 1 . . . 1 112 423 . . 2659555 . 8.002439174 . 119.9135237 . 177.2443547 . A 145 TYR H A 145 TYR N A 144 ALA C 1 . . . 1 113 424 . . 5586129.354 . 8.00221688 . 119.948 . 175.7182574 . A 145 TYR H A 145 TYR N A 145 TYR C 1 . . . 1 114 426 . . 990616.1875 . 7.935174113 . 119.5604098 . 175.0773029 . A 10 GLN H A 10 GLN N A 10 GLN C 1 . . . 1 115 427 . . 775123.375 . 7.934541953 . 119.525889 . 173.9908638 . A 10 GLN H A 10 GLN N A 9 LYS C 1 . . . 1 116 428 . . 1885587.25 . 8.216082123 . 119.488304 . 176.2646449 . A 72 ASN H A 72 ASN N A 71 GLU C 1 . . . 1 117 429 . . 4164027 . 8.216203983 . 119.4880757 . 175.0925286 . A 72 ASN H A 72 ASN N A 72 ASN C 1 . . . 1 118 430 . . 1290356.5 . 8.27403356 . 119.327551 . 175.2262955 . A 23 GLU H A 23 GLU N A 23 GLU C 1 . . . 1 119 431 . . 3610363 . 7.963463375 . 119.3804241 . 177.6024971 . A 140 PHE H A 140 PHE N A 139 ALA C 1 . . . 1 120 432 . . 9529859 . 7.964443123 . 119.3756963 . 175.7205107 . A 140 PHE H A 140 PHE N A 140 PHE C 1 . . . 1 121 433 . . 980298 . 8.178481871 . 118.3447612 . 179.3036863 . A 43 ASN H A 43 ASN N A 43 ASN C 1 . . . 1 122 434 . . 198497.1719 . 8.942762304 . 117.422707 . 174.5986966 . A 61 THR H A 61 THR N A 60 PHE C 1 . . . 1 123 435 . . 335425.6562 . 8.938587954 . 117.4184274 . 172.5689773 . A 61 THR H A 61 THR N A 61 THR C 1 . . . 1 124 436 . . 212984.3438 . 8.106197664 . 117.448736 . 173.6910316 . A 66 SER H A 66 SER N A 65 GLY C 1 . . . 1 125 437 . . 322640.5312 . 8.108094624 . 117.3909554 . 173.0599015 . A 66 SER H A 66 SER N A 66 SER C 1 . . . 1 126 438 . . 687710.6875 . 8.24093961 . 117.2972211 . 177.261452 . A 35 GLU H A 35 GLU N A 35 GLU C 1 . . . 1 127 439 . . 198961.0218 . 8.125905478 . 116.988 . 180.8148279 . A 33 THR H A 33 THR N A 32 ALA C 1 . . . 1 128 440 . . 214789.4569 . 8.123517185 . 116.988 . 176.0815369 . A 33 THR H A 33 THR N A 33 THR C 1 . . . 1 129 441 . . 246378.7231 . 8.656449974 . 116.7377219 . 175.2385207 . A 24 THR H A 24 THR N A 23 GLU C 1 . . . 1 130 442 . . 254500.1818 . 8.656449974 . 116.7377219 . 172.0153839 . A 24 THR H A 24 THR N A 24 THR C 1 . . . 1 131 444 . . 829839.8125 . 7.910516585 . 116.7885996 . 174.7105676 . A 136 THR H A 136 THR N A 136 THR C 1 . . . 1 132 445 . . 483316.0312 . 8.129226068 . 116.277943 . 174.7693728 . A 70 SER H A 70 SER N A 70 SER C 1 . . . 1 133 446 . . 522689.6562 . 7.974838633 . 115.8914109 . 176.1755004 . A 122 THR H A 122 THR N A 121 GLN C 1 . . . 1 134 447 . . 704137.625 . 7.974838633 . 115.8914109 . 174.5018129 . A 122 THR H A 122 THR N A 122 THR C 1 . . . 1 135 451 . . 520316.7188 . 8.628770961 . 115.5962194 . 177.5251895 . A 29 VAL H A 29 VAL N A 28 ALA C 1 . . . 1 136 452 . . 737222.25 . 8.628560564 . 115.5844671 . 175.0241621 . A 29 VAL H A 29 VAL N A 29 VAL C 1 . . . 1 137 453 . . 228377.1175 . 8.846204977 . 115.49 . 173.9931919 . A 26 THR H A 26 THR N A 25 THR C 1 . . . 1 138 454 . . 318375.6979 . 8.8456106 . 115.49 . 171.2220129 . A 26 THR H A 26 THR N A 26 THR C 1 . . . 1 139 455 . . 287056.1875 . 9.120490345 . 114.8693309 . 176.9359956 . A 52 THR H A 52 THR N A 51 TRP C 1 . . . 1 140 456 . . 671462.0625 . 9.119315955 . 114.8913532 . 172.7430846 . A 52 THR H A 52 THR N A 52 THR C 1 . . . 1 141 457 . . 835158.9375 . 7.979447265 . 114.6961675 . 178.3552615 . A 96 SER H A 96 SER N A 95 ALA C 1 . . . 1 142 458 . . 774950.625 . 7.980268604 . 114.687738 . 174.4962546 . A 96 SER H A 96 SER N A 96 SER C 1 . . . 1 143 461 . . 427615.25 . 8.026108896 . 114.5936917 . 178.9437537 . A 87 SER H A 87 SER N A 86 ALA C 1 . . . 1 144 462 . . 433370.9688 . 8.026108896 . 114.5936917 . 175.3584404 . A 87 SER H A 87 SER N A 87 SER C 1 . . . 1 145 463 . . 463545.8125 . 8.673287359 . 113.3048217 . 176.1269632 . A 65 GLY H A 65 GLY N A 64 GLU C 1 . . . 1 146 464 . . 1068133.375 . 8.674765177 . 113.3349413 . 173.7912307 . A 65 GLY H A 65 GLY N A 65 GLY C 1 . . . 1 147 465 . . 676951.125 . 8.075185724 . 113.1958573 . 178.2141785 . A 135 THR H A 135 THR N A 134 ALA C 1 . . . 1 148 466 . . 962162.4375 . 8.077253507 . 113.2171674 . 175.1206406 . A 135 THR H A 135 THR N A 135 THR C 1 . . . 1 149 467 . . 537683.279 . 7.986583667 . 112.8212417 . 173.9865957 . A 25 THR H A 25 THR N A 25 THR C 1 . . . 1 150 468 . . 74091.03254 . 7.986583667 . 112.8212417 . 172.0153928 . A 25 THR H A 25 THR N A 24 THR C 1 . . . 1 151 470 . . 607448.9375 . 8.50493842 . 112.0047826 . 174.5117818 . A 69 GLY H A 69 GLY N A 69 GLY C 1 . . . 1 152 472 . . 289979.125 . 7.794350943 . 110.5946701 . 175.3915684 . A 17 GLY H A 17 GLY N A 16 ASN C 1 . . . 1 153 473 . . 391708.125 . 7.797935918 . 110.5712455 . 173.3408137 . A 17 GLY H A 17 GLY N A 17 GLY C 1 . . . 1 154 474 . . 337392.0312 . 8.276412777 . 110.0260589 . 176.2213442 . A 22 GLY H A 22 GLY N A 21 LYS C 1 . . . 1 155 475 . . 511761.7812 . 8.274300754 . 110.0466915 . 171.2468073 . A 22 GLY H A 22 GLY N A 22 GLY C 1 . . . 1 156 477 . . 263171.2188 . 8.699936878 . 109.3575818 . 178.7016371 . A 19 THR H A 19 THR N A 18 LYS C 1 . . . 1 157 479 . . 546549.8125 . 8.704679425 . 109.372675 . 173.8075969 . A 19 THR H A 19 THR N A 19 THR C 1 . . . 1 158 482 . . 766250.0867 . 7.84807788 . 108.225 . 171.7189767 . A 49 GLY H A 49 GLY N A 49 GLY C 1 . . . 1 159 483 . . 254281.2679 . 7.847995101 . 108.225 . 174.5792059 . A 49 GLY H A 49 GLY N A 48 ASP C 1 . . . 1 160 484 . . 502768.6562 . 7.748345108 . 109.2651171 . 176.1769656 . A 77 GLY H A 77 GLY N A 76 GLN C 1 . . . 1 161 486 . . 737466.875 . 7.74818382 . 109.2577609 . 174.0186004 . A 77 GLY H A 77 GLY N A 77 GLY C 1 . . . 1 162 487 . . 287980.1306 . 7.658534382 . 108.8381797 . 173.9303919 . A 46 GLY H A 46 GLY N A 45 ASN C 1 . . . 1 163 488 . . 434719.6816 . 7.66038246 . 108.8381797 . 174.100415 . A 46 GLY H A 46 GLY N A 46 GLY C 1 . . . 1 164 489 . . 93466.01946 . 6.875077677 . 124.277 . 176.117452 . A 34 ALA H A 34 ALA N A 33 THR C 1 . . . 1 165 490 . . 855415.5702 . 6.874449105 . 124.277 . 177.072882 . A 34 ALA H A 34 ALA N A 34 ALA C 1 . . . 1 166 491 . . 212115.0156 . 7.133947405 . 121.177 . 179.9649883 . A 37 VAL H A 37 VAL N A 36 LYS C 1 . . . 1 167 492 . . 794797.0742 . 7.132949443 . 121.177 . 179.6935427 . A 37 VAL H A 37 VAL N A 37 VAL C 1 . . . 1 168 493 . . 665714.3295 . 7.311636466 . 120.288 . 177.0035762 . A 40 GLN H A 40 GLN N A 40 GLN C 1 . . . 1 169 494 . . 166143.9166 . 7.312318081 . 120.288 . 179.4755281 . A 40 GLN H A 40 GLN N A 39 LYS C 1 . . . 1 170 495 . . 262100.1139 . 6.805583592 . 117.306 . 177.2950071 . A 36 LYS H A 36 LYS N A 35 GLU C 1 . . . 1 171 496 . . 640365.819 . 6.805441097 . 117.306 . 179.9316407 . A 36 LYS H A 36 LYS N A 36 LYS C 1 . . . 1 172 497 . . 1592623.809 . 7.219205701 . 115.7 . 174.5355344 . A 30 ASP H A 30 ASP N A 30 ASP C 1 . . . 1 173 498 . . 248008.3343 . 7.219205701 . 115.7 . 175.0488893 . A 30 ASP H A 30 ASP N A 29 VAL C 1 . . . 1 174 499 . . 493780.8168 . 7.26535329 . 115.9593014 . 173.9179839 . A 45 ASN H A 45 ASN N A 45 ASN C 1 . . . 1 175 500 . . 145763.3622 . 7.26535329 . 115.9593014 . 177.0316252 . A 45 ASN H A 45 ASN N A 44 ASP C 1 . . . 1 176 501 . . 259414.3329 . 7.486023992 . 129.102 . 173.1104856 . A 54 ASP H A 54 ASP N A 53 TYR C 1 . . . 1 177 502 . . 294003.0739 . 7.486023992 . 129.102 . 174.5166253 . A 54 ASP H A 54 ASP N A 54 ASP C 1 . . . 1 178 504 . . 164656.1406 . 7.200997956 . 125.6253261 . 173.7824666 . A 20 LEU H A 20 LEU N A 19 THR C 1 . . . 1 179 505 . . 943014.9375 . 7.199638016 . 125.584336 . 173.3717692 . A 20 LEU H A 20 LEU N A 20 LEU C 1 . . . 1 180 506 . . 203989.7991 . 6.863314241 . 103.988 . 179.8254412 . A 57 THR H A 57 THR N A 56 ALA C 1 . . . 1 181 507 . . 459017.8575 . 6.863314241 . 103.988 . 175.1378661 . A 57 THR H A 57 THR N A 57 THR C 1 . . . 1 182 508 . . 850861.2106 . 8.21425747 . 122.956 . 176.3473932 . A 143 ARG H A 143 ARG N A 142 LYS C 1 . . . 1 183 509 . . 143199.4699 . 8.21425747 . 122.956 . 175.7173642 . A 143 ARG H A 143 ARG N A 143 ARG C 1 . . . 1 184 510 . . 7165891.32 . 7.984154671 . 120.605 . 177.691417 . A 98 LYS H A 98 LYS N A 97 ALA C 1 . . . 1 185 511 . . 5575200.187 . 7.984005253 . 120.605 . 176.4834026 . A 98 LYS H A 98 LYS N A 98 LYS C 1 . . . 1 186 521 . . 456891.6566 . 8.116791148 . 124.3588873 . 177.9580137 . A 90 ALA H A 90 ALA N A 89 LEU C 1 . . . 1 187 522 . . 2179742.424 . 8.116791148 . 124.3588873 . 178.5817494 . A 90 ALA H A 90 ALA N A 90 ALA C 1 . . . 1 188 529 . . 3689853.25 . 8.408304446 . 125.6171569 . 175.9820976 . A 115 GLN H A 115 GLN N A 115 GLN C 1 . . . 1 189 541 . . 3790716.564 . 8.037627176 . 125.1042978 . 177.2266311 . A 123 LEU H A 123 LEU N A 123 LEU C 1 . . . 1 190 542 . . 1285851.789 . 8.037627176 . 125.1042978 . 174.495583 . A 123 LEU H A 123 LEU N A 122 THR C 1 . . . 1 191 550 . . 635056.8413 . 8.117033903 . 121.862 . 179.1501765 . A 31 ALA H A 31 ALA N A 31 ALA C 1 . . . 1 192 551 . . 294464.201 . 8.117033903 . 121.862 . 174.5339412 . A 31 ALA H A 31 ALA N A 30 ASP C 1 . . . 1 193 562 . . 14223369 . 7.982395712 . 120.5396924 . 175.9453056 . A 104 VAL H A 104 VAL N A 104 VAL C 1 . . . 1 194 563 . . 8871055 . 8.108139881 . 122.3267108 . 176.1015094 . A 109 VAL H A 109 VAL N A 109 VAL C 1 . . . 1 195 564 . . 1025040 . 7.25611136 . 111.7437528 . 174.7737775 . A 59 THR H A 59 THR N A 59 THR C 1 . . . 1 196 565 . . 917955.6397 . 8.125033899 . 122.4143778 . 175.5680729 . A 76 GLN H A 76 GLN N A 75 PHE C 1 . . . 1 197 566 . . 222489.5469 . 8.004401615 . 117.69722 . 175.7077454 . A 146 SER H A 146 SER N A 145 TYR C 1 . . . 1 198 567 . . 217556.1094 . 8.004424792 . 117.7122223 . 174.1170679 . A 146 SER H A 146 SER N A 146 SER C 1 . . . 1 199 568 . . 434441.8998 . 8.104706472 . 121.5161273 . 178.9245441 . A 41 TYR H A 41 TYR N A 41 TYR C 1 . . . 1 200 569 . . 193514 . 8.8150824 . 122.1627813 . 179.3036863 . A 44 ASP H A 44 ASP N A 43 ASN C 1 . . . 1 201 570 . . 789027 . 8.8150824 . 122.1627813 . 177.0387319 . A 44 ASP H A 44 ASP N A 44 ASP C 1 . . . 1 202 571 . . 97764.40755 . 8.0620421 . 115.1650805 . 175.2931685 . A 91 SER H A 91 SER N A 91 SER C 1 . . . 1 203 572 . . 5845673.974 . 7.975337476 . 120.4066983 . 177.6951977 . A 104 VAL H A 104 VAL N A 103 ALA C 1 . . . 1 204 573 . . 4300647.519 . 7.966861241 . 120.4071622 . 175.9402604 . A 104 VAL H A 104 VAL N A 104 VAL C 1 . . . 1 205 574 . . 187577.9002 . 8.117415537 . 117.2960966 . 174.3324255 . A 113 THR H A 113 THR N A 113 THR C 1 . . . 1 207 576 . . 108754.4923 . 8.136141599 . 116.4518837 . 175.9659683 . A 116 THR H A 116 THR N A 115 GLN C 1 . . . 1 208 577 . . 119097 . 8.305216232 . 111.8692725 . 174.9493726 . A 117 GLY H A 117 GLY N A 116 THR C 1 . . . 1 209 578 . . 250970.0775 . 8.302575469 . 111.7824438 . 173.7299985 . A 117 GLY H A 117 GLY N A 117 GLY C 1 . . . 1 210 579 . . 262577.8137 . 8.126788952 . 116.4610392 . 174.9493726 . A 116 THR H A 116 THR N A 116 THR C 1 . . . 1 211 580 . . 356372 . 8.205435344 . 124.9920702 . 175.0080831 . A 134 ALA H A 134 ALA N A 133 ASN C 1 . . . 1 212 581 . . 582027.6818 . 8.200211245 . 125.0095722 . 178.1431243 . A 134 ALA H A 134 ALA N A 134 ALA C 1 . . . 1 213 582 . . 171679.079 . 8.151047442 . 118.4398693 . 174.2416913 . A 147 SER H A 147 SER N A 147 SER C 1 . . . 1 ; 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 . aliased 3.85037 ppm . . . . . . 51093 3 2 . . N 15 N . aliased 29.995 ppm . . . . . . 51093 3 3 . . C 13 CO . aliased 14.9982 ppm . . . . . . 51093 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 51093 3 stop_ save_ save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 51093 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name PL_HNCA_GB1_pSu9(1-69) _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 4 _Spectral_peak_list.Experiment_name '3D HN(CO)CACB' _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 ; _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 1 . . 348540.4375 . 7.992913126 . 129.5039642 . 60.97490292 . A 64 GLU H A 64 GLU N A 63 THR CA 1 . . . 1 3 3 . . 5489664 . 8.22265947 . 128.8468379 . 61.98994394 . A 100 ALA H A 100 ALA N A 99 VAL CA 1 . . . 1 4 4 . . -3744651.25 . 8.222631661 . 128.844401 . 32.98658231 . A 100 ALA H A 100 ALA N A 99 VAL CB 1 . . . 1 5 5 . . 22744.81654 . 8.211589148 . 128.869 . 19.34245245 . A 100 ALA H A 100 ALA N A 100 ALA CB 1 . . . 1 6 6 . . 4100500 . 8.28860784 . 128.745441 . 62.14955251 . A 107 ALA H A 107 ALA N A 106 VAL CA 1 . . . 1 7 7 . . -2941614.25 . 8.289128055 . 128.7271254 . 32.955046 . A 107 ALA H A 107 ALA N A 106 VAL CB 1 . . . 1 8 8 . . 485360.6562 . 8.335653046 . 127.9460881 . 62.11048333 . A 48 ASP H A 48 ASP N A 47 VAL CA 1 . . . 1 9 9 . . -381634.0938 . 8.335905209 . 127.9600975 . 33.30381722 . A 48 ASP H A 48 ASP N A 47 VAL CB 1 . . . 1 10 10 . . 131753.2656 . 8.943765867 . 126.8535112 . 52.79117588 . A 14 ILE H A 14 ILE N A 13 LEU CA 1 . . . 1 11 11 . . -96320.47328 . 8.943041363 . 126.8894098 . 42.81026967 . A 14 ILE H A 14 ILE N A 13 LEU CB 1 . . . 1 12 12 . . 162.4193351 . 8.956101111 . 126.959 . 38.25508082 . A 14 ILE H A 14 ILE N A 14 ILE CB 1 . . . 1 14 29 . . 16761065 . 7.695175895 . 126.4397252 . 55.37722879 . A 149 GLU H A 149 GLU N A 148 LEU CA 1 . . . 1 16 31 . . 246548.5625 . 8.700606992 . 126.1190553 . 54.53913609 . A 16 ASN H A 16 ASN N A 15 LEU CA 1 . . . 1 17 32 . . -274562.1562 . 8.700881384 . 126.1471241 . 42.38664712 . A 16 ASN H A 16 ASN N A 15 LEU CB 1 . . . 1 18 33 . . 2290157.5 . 8.293694276 . 126.1515306 . 62.25205596 . A 105 ARG H A 105 ARG N A 104 VAL CA 1 . . . 1 20 38 . . 2666116 . 8.137970073 . 125.9139926 . 63.08731393 . A 85 LEU H A 85 LEU N A 84 VAL CA 1 . . . 1 22 41 . . -933615.3125 . 7.971017613 . 125.924633 . 63.78766713 . A 97 ALA H A 97 ALA N A 96 SER CB 1 . . . 1 23 42 . . 842284.875 . 7.973371503 . 125.9195244 . 58.6629231 . A 97 ALA H A 97 ALA N A 96 SER CA 1 . . . 1 24 43 . . 1182047.875 . 8.183608905 . 125.7753455 . 55.9957203 . A 144 ALA H A 144 ALA N A 143 ARG CA 1 . . . 1 25 44 . . -826160.3125 . 8.183288247 . 125.8294901 . 31.00707718 . A 144 ALA H A 144 ALA N A 143 ARG CB 1 . . . 1 26 50 . . 294447.6562 . 8.416388824 . 125.5174501 . 51.8809832 . A 55 ASP H A 55 ASP N A 54 ASP CA 1 . . . 1 27 51 . . -303824.2188 . 8.416743194 . 125.4914341 . 43.08522341 . A 55 ASP H A 55 ASP N A 54 ASP CB 1 . . . 1 29 54 . . 208255.7344 . 9.027005137 . 125.227463 . 55.57761258 . A 11 TYR H A 11 TYR N A 10 GLN CA 1 . . . 1 30 55 . . -204497.5625 . 9.026942898 . 125.2826556 . 30.79428104 . A 11 TYR H A 11 TYR N A 10 GLN CB 1 . . . 1 31 56 . . 7621269 . 8.284384646 . 125.2275388 . 63.00214086 . A 103 ALA H A 103 ALA N . . . . 1 . . . 1 33 61 . . 1128404.75 . 8.115376464 . 125.2123756 . 56.33752315 . A 139 ALA H A 139 ALA N A 138 GLN CA 1 . . . 1 34 62 . . -881218 . 8.115376464 . 125.2123756 . 29.44148357 . A 139 ALA H A 139 ALA N A 138 GLN CB 1 . . . 1 35 69 . . 293650.1562 . 9.281225452 . 125.0786109 . 54.82155808 . A 28 ALA H A 28 ALA N A 27 GLU CA 1 . . . 1 36 70 . . -209073.6406 . 9.284130247 . 125.100318 . 31.7693389 . A 28 ALA H A 28 ALA N A 27 GLU CB 1 . . . 1 37 71 . . 537717 . 8.184761406 . 124.8741199 . 42.28401757 . A 86 ALA H A 86 ALA N A 85 LEU CB 1 . . . 1 38 72 . . -390900 . 8.184761406 . 124.8741199 . 42.28401757 . A 86 ALA H A 86 ALA N A 85 LEU CB 1 . . . 1 40 81 . . 2653379.267 . 8.043309532 . 125.015 . 56.21864187 . A 94 ALA H A 94 ALA N A 93 MET CA 1 . . . 1 41 82 . . -92323.1026 . 8.04327607 . 125.015 . 53.04464181 . A 94 ALA H A 94 ALA N A 94 ALA CA 1 . . . 1 43 84 . . 10451472 . 8.138222625 . 124.6209149 . 58.54513796 . A 148 LEU H A 148 LEU N A 147 SER CA 1 . . . 1 44 85 . . 565755.5 . 8.007512987 . 124.400441 . 55.23431905 . A 21 LYS H A 21 LYS N A 20 LEU CA 1 . . . 1 45 86 . . -372763.0938 . 8.008070958 . 124.3952699 . 43.76165757 . A 21 LYS H A 21 LYS N A 20 LEU CB 1 . . . 1 47 94 . . -4514115.184 . 8.031551889 . 124.643279 . 38.6582709 . A 132 VAL H A 132 VAL N A 131 ILE CB 1 . . . 1 48 95 . . -56594.44157 . 8.079981853 . 123.7771382 . 71.09121935 . A 62 VAL H A 62 VAL N A 61 THR CB 1 . . . 1 50 97 . . -563184.8125 . 8.160611522 . 123.6290252 . 69.71152431 . A 137 ARG H A 137 ARG N A 136 THR CB 1 . . . 1 51 99 . . 502230.8438 . 8.161390961 . 123.6072239 . 62.31869492 . A 137 ARG H A 137 ARG N A 136 THR CA 1 . . . 1 52 105 . . 260077.75 . 8.986112302 . 123.325298 . 56.67336302 . A 39 LYS H A 39 LYS N A 38 PHE CA 1 . . . 1 55 111 . . 377034.5938 . 9.043571217 . 123.2736975 . 61.91054767 . A 42 ALA H A 42 ALA N A 41 TYR CA 1 . . . 1 58 150 . . 2578703.055 . 8.501177996 . 122.988 . 58.7259603 . A 71 GLU H A 71 GLU N A 70 SER CA 1 . . . 1 59 151 . . 67526.24004 . 8.500983691 . 122.988 . 57.22862926 . A 71 GLU H A 71 GLU N A 71 GLU CA 1 . . . 1 60 152 . . -2747132.084 . 8.501111607 . 122.988 . 63.86814518 . A 71 GLU H A 71 GLU N A 70 SER CB 1 . . . 1 62 162 . . 1976784.75 . 8.135444198 . 122.9997307 . 56.43755559 . A 124 LYS H A 124 LYS N A 124 LYS CA 1 . . . 1 63 163 . . 2528669.5 . 8.15924598 . 122.9319761 . 55.49587037 . A 124 LYS H A 124 LYS N A 123 LEU CA 1 . . . 1 65 167 . . 475504.0938 . 8.304165474 . 122.8285091 . 55.1991768 . A 9 LYS H A 9 LYS N A 8 MET CA 1 . . . 1 66 172 . . 4336130.5 . 7.942978916 . 122.5953066 . 53.47457388 . A 73 LEU H A 73 LEU N A 72 ASN CA 1 . . . 1 67 173 . . -5053487.5 . 7.942550461 . 122.5925888 . 38.86854497 . A 73 LEU H A 73 LEU N A 72 ASN CB 1 . . . 1 70 176 . . -404301.2554 . 8.063259259 . 122.4011786 . 63.60109932 . A 92 GLN H A 92 GLN N A 91 SER CB 1 . . . 1 72 182 . . 402146.2812 . 8.8150824 . 122.1627813 . 57.02472302 . A 44 ASP H A 44 ASP N A 43 ASN CA 1 . . . 1 73 183 . . -357143.7188 . 8.8150824 . 122.1627813 . 38.94585375 . A 44 ASP H A 44 ASP N A 43 ASN CB 1 . . . 1 78 188 . . 605149 . 9.128612433 . 121.7619212 . 44.83409448 . A 18 LYS H A 18 LYS N A 17 GLY CA 1 . . . 1 79 189 . . 1264556.25 . 8.188243568 . 121.8330482 . 56.62069133 . A 138 GLN H A 138 GLN N A 137 ARG CA 1 . . . 1 81 191 . . 1822744 . 7.939706775 . 121.7590388 . 58.04366492 . A 75 PHE H A 75 PHE N A 74 TYR CA 1 . . . 1 84 194 . . 22191.29708 . 8.118408283 . 121.486 . 38.74337304 . A 41 TYR H A 41 TYR N A 41 TYR CB 1 . . . 1 85 196 . . 10095435 . 7.807086372 . 121.2960686 . 56.44557474 . A 99 VAL H A 99 VAL N A 98 LYS CA 1 . . . 1 86 198 . . -7941491 . 7.807086372 . 121.2960686 . 32.98019399 . A 99 VAL H A 99 VAL N A 98 LYS CB 1 . . . 1 87 199 . . 2777121 . 8.158027025 . 121.2689759 . 55.66722533 . A 121 GLN H A 121 GLN N A 120 LEU CA 1 . . . 1 88 200 . . -2225204.75 . 8.158027025 . 121.2689759 . 42.20737369 . A 121 GLN H A 121 GLN N A 120 LEU CB 1 . . . 1 89 203 . . 2397654.5 . 8.094751601 . 120.982484 . 56.69308312 . A 93 MET H A 93 MET N A 92 GLN CA 1 . . . 1 91 205 . . 1216669.75 . 8.203084509 . 120.692278 . 56.34956448 . A 56 ALA H A 56 ALA N A 55 ASP CA 1 . . . 1 93 210 . . 2463268.5 . 7.935970312 . 120.0796864 . 55.69650845 . A 74 TYR H A 74 TYR N A 73 LEU CA 1 . . . 1 95 224 . . -679490 . 7.93644 . 119.6063497 . 34.90898025 . A 10 GLN H A 10 GLN N A 9 LYS CB 1 . . . 1 97 227 . . 872900.5 . 7.93408348 . 119.5383402 . 54.83489171 . A 10 GLN H A 10 GLN N A 9 LYS CA 1 . . . 1 98 230 . . 2383210.25 . 8.216327332 . 119.490789 . 57.22862926 . A 72 ASN H A 72 ASN N A 71 GLU CA 1 . . . 1 100 232 . . 1074743 . 8.273893114 . 119.3380552 . 45.25953251 . A 23 GLU H A 23 GLU N A 22 GLY CA 1 . . . 1 101 233 . . 5225867.5 . 7.965278569 . 119.3866748 . 52.87268881 . A 140 PHE H A 140 PHE N A 139 ALA CA 1 . . . 1 102 235 . . -4800060.5 . 7.964956193 . 119.3884911 . 19.16423397 . A 140 PHE H A 140 PHE N A 139 ALA CB 1 . . . 1 103 237 . . 238005 . 8.938544922 . 117.4500535 . 57.25503609 . A 61 THR H A 61 THR N A 60 PHE CA 1 . . . 1 104 238 . . 833941.375 . 8.110049716 . 117.4024895 . 45.36493217 . A 66 SER H A 66 SER N A 65 GLY CA 1 . . . 1 105 239 . . 270000.0312 . 8.241965716 . 117.3355604 . 54.96947445 . A 35 GLU H A 35 GLU N A 34 ALA CA 1 . . . 1 106 240 . . -281357.6875 . 8.240942831 . 117.2956861 . 17.47193649 . A 35 GLU H A 35 GLU N A 34 ALA CB 1 . . . 1 107 241 . . -565194.875 . 7.910895776 . 116.7906126 . 69.61959011 . A 136 THR H A 136 THR N A 135 THR CB 1 . . . 1 108 242 . . 615469.8125 . 7.911702857 . 116.7986512 . 62.55787797 . A 136 THR H A 136 THR N A 135 THR CA 1 . . . 1 109 245 . . 1498092.25 . 8.127731717 . 116.2795912 . 45.61988651 . A 70 SER H A 70 SER N A 69 GLY CA 1 . . . 1 110 248 . . -568373.9375 . 7.974838633 . 115.8914109 . 29.53249492 . A 122 THR H A 122 THR N A 121 GLN CB 1 . . . 1 111 252 . . 423512.9375 . 8.630517221 . 115.6156186 . 51.47996133 . A 29 VAL H A 29 VAL N A 28 ALA CA 1 . . . 1 112 253 . . -423684.9062 . 8.630377862 . 115.6106409 . 23.61769532 . A 29 VAL H A 29 VAL N A 28 ALA CB 1 . . . 1 113 254 . . 387290.875 . 9.120764034 . 114.9110304 . 57.83260297 . A 52 THR H A 52 THR N A 51 TRP CA 1 . . . 1 114 255 . . -208701.0625 . 9.118325606 . 114.9261927 . 30.74816257 . A 52 THR H A 52 THR N A 51 TRP CB 1 . . . 1 115 257 . . 1339613.25 . 7.980640045 . 114.6950469 . 53.11570419 . A 96 SER H A 96 SER N A 95 ALA CA 1 . . . 1 117 259 . . 634149.125 . 8.026108896 . 114.5936917 . 53.33131188 . A 87 SER H A 87 SER N A 86 ALA CA 1 . . . 1 118 260 . . -607753.1875 . 8.026108896 . 114.5936917 . 19.05325865 . A 87 SER H A 87 SER N A 86 ALA CB 1 . . . 1 119 261 . . 471645.7188 . 8.67459193 . 113.3554462 . 56.49721613 . A 65 GLY H A 65 GLY N A 64 GLU CA 1 . . . 1 120 262 . . -350629 . 8.675992465 . 113.3964544 . 31.96979564 . A 65 GLY H A 65 GLY N A 64 GLU CB 1 . . . 1 121 263 . . 895675.1875 . 8.079452659 . 113.2431815 . 53.26754099 . A 135 THR H A 135 THR N A 134 ALA CA 1 . . . 1 122 264 . . -816633.25 . 8.078048083 . 113.2402344 . 19.28564548 . A 135 THR H A 135 THR N A 134 ALA CB 1 . . . 1 125 267 . . 420600.0312 . 7.796128684 . 110.626366 . 51.29460575 . A 17 GLY H A 17 GLY N A 16 ASN CA 1 . . . 1 126 268 . . -690868.6875 . 7.797964915 . 110.6153344 . 38.28234051 . A 17 GLY H A 17 GLY N A 16 ASN CB 1 . . . 1 127 269 . . 401027.6562 . 8.273956531 . 110.0744865 . 54.05191982 . A 22 GLY H A 22 GLY N A 21 LYS CA 1 . . . 1 128 270 . . -370786.875 . 8.273323887 . 110.0665127 . 35.03981115 . A 22 GLY H A 22 GLY N A 21 LYS CB 1 . . . 1 129 271 . . 391180.4375 . 8.7055173 . 109.3555884 . 59.2376094 . A 19 THR H A 19 THR N A 18 LYS CA 1 . . . 1 130 272 . . -328000.5625 . 8.707181531 . 109.3476662 . 32.6910539 . A 19 THR H A 19 THR N A 18 LYS CB 1 . . . 1 131 273 . . -836671.25 . 7.198612411 . 125.5895304 . 69.77665211 . A 20 LEU H A 20 LEU N A 19 THR CB 1 . . . 1 132 274 . . 768780.75 . 7.199254974 . 125.5854761 . 62.08448515 . A 20 LEU H A 20 LEU N A 19 THR CA 1 . . . 1 133 275 . . 483051.2188 . 8.219225722 . 122.9822972 . 56.62586144 . A 143 ARG H A 143 ARG N A 142 LYS CA 1 . . . 1 134 276 . . -436281.7188 . 8.223860902 . 122.9902281 . 32.97899921 . A 143 ARG H A 143 ARG N A 142 LYS CB 1 . . . 1 135 279 . . 292919.4375 . 8.0620421 . 115.1650805 . 53.64996663 . A 91 SER H A 91 SER N A 90 ALA CA 1 . . . 1 136 280 . . -250069.5469 . 8.0620421 . 115.1650805 . 18.84165115 . A 91 SER H A 91 SER N A 90 ALA CB 1 . . . 1 137 281 . . -2311.549525 . 8.0620421 . 115.1650805 . 63.60109932 . A 91 SER H A 91 SER N A 91 SER CB 1 . . . 1 138 282 . . 78633.39936 . 7.994968389 . 120.605 . 56.44557474 . A 98 LYS H A 98 LYS N A 98 LYS CA 1 . . . 1 139 283 . . 5152740.176 . 7.995465311 . 120.605 . 52.76843555 . A 98 LYS H A 98 LYS N A 97 ALA CA 1 . . . 1 140 284 . . -81884.46092 . 7.992588481 . 120.605 . 32.98019399 . A 98 LYS H A 98 LYS N A 98 LYS CB 1 . . . 1 141 285 . . -9037557.112 . 7.991581453 . 120.605 . 19.30055923 . A 98 LYS H A 98 LYS N A 97 ALA CB 1 . . . 1 142 289 . . 1030169.897 . 8.116791148 . 124.3588873 . 55.86904733 . A 90 ALA H A 90 ALA N A 89 LEU CA 1 . . . 1 143 290 . . -55861.3704 . 8.116791148 . 124.3588873 . 53.64996663 . A 90 ALA H A 90 ALA N A 90 ALA CA 1 . . . 1 144 291 . . -820675.3761 . 8.116791148 . 124.3588873 . 42.22182245 . A 90 ALA H A 90 ALA N A 89 LEU CB 1 . . . 1 146 293 . . 1133567.375 . 8.40830602 . 125.6313795 . 61.1297185 . A 115 GLN H A 115 GLN N A 114 ILE CA 1 . . . 1 147 294 . . -821257.875 . 8.408334693 . 125.636207 . 38.85751455 . A 115 GLN H A 115 GLN N A 114 ILE CB 1 . . . 1 148 295 . . -2503836.5 . 8.037627176 . 125.1042978 . 69.75884702 . A 123 LEU H A 123 LEU N A 122 THR CB 1 . . . 1 149 302 . . 1093987.5 . 7.919963385 . 121.0089973 . 54.54815511 . A 32 ALA H A 32 ALA N A 31 ALA CA 1 . . . 1 151 304 . . -458504 . 8.335563552 . 123.2385526 . 32.74472191 . A 133 ASN H A 133 ASN N A 132 VAL CB 1 . . . 1 152 307 . . 184820.8383 . 8.016375311 . 117.6685744 . 57.95821255 . A 146 SER H A 146 SER N A 145 TYR CA 1 . . . 1 154 309 . . -85422.69642 . 8.995124364 . 123.1707331 . 43.45532177 . A 12 LYS H A 12 LYS N A 11 TYR CB 1 . . . 1 155 310 . . -217722.1012 . 8.8150824 . 122.1627813 . 38.94585375 . A 44 ASP H A 44 ASP N A 43 ASN CB 1 . . . 1 156 311 . . -2408529.58 . 8.04573478 . 123.2382092 . 19.01928005 . A 95 ALA H A 95 ALA N A 94 ALA CB 1 . . . 1 159 314 . . 180289.5307 . 8.124893512 . 116.4518837 . 55.79951736 . A 116 THR H A 116 THR N A 115 GLN CA 1 . . . 1 161 317 . . 191625.7462 . 8.305967998 . 111.7824438 . 61.92675731 . A 117 GLY H A 117 GLY N A 116 THR CA 1 . . . 1 163 320 . . -418096.1402 . 8.205249066 . 124.9867223 . 39.0069921 . A 134 ALA H A 134 ALA N A 133 ASN CB 1 . . . 1 164 321 . . 416025 . 8.212304808 . 124.9960702 . 53.23927058 . A 134 ALA H A 134 ALA N A 133 ASN CA 1 . . . 1 ; 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 . aliased 5.0763 ppm . . . . . . 51093 4 2 . . N 15 N . aliased 26.0015 ppm . . . . . . 51093 4 3 . . C 13 CA . aliased 29.9935 ppm . . . . . . 51093 4 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 51093 4 stop_ save_ save_spectral_peak_list_5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_5 _Spectral_peak_list.Entry_ID 51093 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name PL_HNCACO_GB1_pSu9(1-69) _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '3D HNCA' _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 ; _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 1 . . 8654423 . 7.99918596 . 129.4622827 . 56.40312485 . A 64 GLU H A 64 GLU N A 64 GLU CA 1 . . . 1 2 2 . . 6226788.5 . 9.193374596 . 128.8879913 . 57.8735421 . A 51 TRP H A 51 TRP N A 51 TRP CA 1 . . . 1 5 5 . . 19754824 . 8.213811409 . 128.8217621 . 52.34424512 . A 100 ALA H A 100 ALA N A 100 ALA CA 1 . . . 1 7 7 . . 20184094 . 8.27795046 . 128.6726756 . 52.46172897 . A 107 ALA H A 107 ALA N A 107 ALA CA 1 . . . 1 9 9 . . 8599786 . 8.328712162 . 127.9508739 . 52.60022247 . A 48 ASP H A 48 ASP N A 48 ASP CA 1 . . . 1 11 13 . . 3285214.5 . 8.51055267 . 127.1664889 . 52.72035577 . A 13 LEU H A 13 LEU N A 13 LEU CA 1 . . . 1 12 14 . . 3192559.75 . 8.950415472 . 126.9437483 . 60.18779664 . A 14 ILE H A 14 ILE N A 14 ILE CA 1 . . . 1 15 18 . . 4164996 . 8.600281313 . 126.4873036 . 54.43744781 . A 15 LEU H A 15 LEU N A 15 LEU CA 1 . . . 1 16 34 . . 49271104 . 7.692950363 . 126.5346271 . 58.14304468 . A 149 GLU H A 149 GLU N A 149 GLU CA 1 . . . 1 19 39 . . 4061057.25 . 8.709606383 . 126.2063688 . 51.20876751 . A 16 ASN H A 16 ASN N A 16 ASN CA 1 . . . 1 21 41 . . 12058385 . 8.281672308 . 126.0594884 . 56.00244871 . A 105 ARG H A 105 ARG N A 105 ARG CA 1 . . . 1 24 47 . . 14662630.59 . 8.130009737 . 125.988 . 55.64517961 . A 85 LEU H A 85 LEU N A 85 LEU CA 1 . . . 1 26 50 . . 4312468 . 7.97979563 . 125.9824899 . 52.65832438 . A 97 ALA H A 97 ALA N A 97 ALA CA 1 . . . 1 27 51 . . 4153869.25 . 7.981566472 . 125.9903343 . 52.84790645 . A 97 ALA H A 97 ALA N A 97 ALA CA 1 . . . 1 29 53 . . 4574963 . 8.173485087 . 125.8097519 . 52.39854984 . A 144 ALA H A 144 ALA N A 144 ALA CA 1 . . . 1 30 60 . . 6707272.811 . 8.412419789 . 125.574 . 56.39517213 . A 55 ASP H A 55 ASP N A 55 ASP CA 1 . . . 1 33 64 . . 3940135.75 . 8.192312686 . 125.4871688 . 52.94851572 . A 80 ALA H A 80 ALA N A 80 ALA CA 1 . . . 1 34 66 . . 4530008.5 . 9.030432584 . 125.2536455 . 57.24567318 . A 11 TYR H A 11 TYR N A 11 TYR CA 1 . . . 1 36 69 . . 24137946 . 8.274062437 . 125.2155819 . 52.47855349 . A 103 ALA H A 103 ALA N A 103 ALA CA 1 . . . 1 37 70 . . 24349236 . 8.273338915 . 125.2163669 . 52.30246537 . A 103 ALA H A 103 ALA N A 103 ALA CA 1 . . . 1 39 73 . . 6022873.5 . 8.115289905 . 125.211174 . 52.79613497 . A 139 ALA H A 139 ALA N A 139 ALA CA 1 . . . 1 41 75 . . 6761305.5 . 9.280667113 . 125.0776047 . 51.47051036 . A 28 ALA H A 28 ALA N A 28 ALA CA 1 . . . 1 43 77 . . 7258773 . 8.187747844 . 124.8846533 . 53.31083209 . A 86 ALA H A 86 ALA N A 86 ALA CA 1 . . . 1 46 80 . . 40534620 . 8.137203055 . 124.6713603 . 55.42467794 . A 148 LEU H A 148 LEU N A 148 LEU CA 1 . . . 1 47 81 . . 40496960 . 8.137836364 . 124.6677573 . 55.24036795 . A 148 LEU H A 148 LEU N A 148 LEU CA 1 . . . 1 49 89 . . 16573074 . 8.039595695 . 125.0111016 . 53.10507624 . A 95 ALA H A 95 ALA N A 95 ALA CA 1 . . . 1 50 95 . . 18185611.93 . 8.033329813 . 124.573 . 62.56679845 . A 132 VAL H A 132 VAL N A 132 VAL CA 1 . . . 1 54 101 . . 26583694 . 8.099602001 . 124.2980601 . 61.06480119 . A 114 ILE H A 114 ILE N A 114 ILE CA 1 . . . 1 58 109 . . 5253714 . 8.212115456 . 124.070655 . 61.05861914 . A 63 THR H A 63 THR N A 63 THR CA 1 . . . 1 59 110 . . 5146180.5 . 8.211810857 . 124.0649693 . 60.8374207 . A 63 THR H A 63 THR N A 63 THR CA 1 . . . 1 61 115 . . 4784920 . 8.069444017 . 123.747214 . 58.03820828 . A 62 VAL H A 62 VAL N A 62 VAL CA 1 . . . 1 62 116 . . 6885938.642 . 7.997964067 . 124.349 . 54.02245497 . A 21 LYS H A 21 LYS N A 21 LYS CA 1 . . . 1 66 126 . . 2197263.5 . 8.159044429 . 123.6202718 . 56.63463683 . A 137 ARG H A 137 ARG N A 137 ARG CA 1 . . . 1 67 129 . . 5335770.5 . 8.994321896 . 123.4474442 . 59.90499855 . A 39 LYS H A 39 LYS N A 39 LYS CA 1 . . . 1 69 132 . . 21174786 . 8.043435337 . 123.4827902 . 61.33643656 . A 131 ILE H A 131 ILE N A 131 ILE CA 1 . . . 1 72 137 . . 6611160.5 . 9.050899182 . 123.3057938 . 56.34286334 . A 42 ALA H A 42 ALA N A 42 ALA CA 1 . . . 1 73 138 . . 4721269.5 . 8.112605363 . 123.2658475 . 56.54517777 . A 142 LYS H A 142 LYS N A 142 LYS CA 1 . . . 1 75 162 . . 3581230.956 . 8.042927266 . 123.5342328 . 56.83299605 . A 146 SER H A 146 SER N A 146 SER CA 1 . . . 1 78 171 . . 2881211.5 . 8.320063881 . 123.1929918 . 53.2834062 . A 133 ASN H A 133 ASN N A 133 ASN CA 1 . . . 1 80 178 . . 15927267 . 8.500983691 . 122.988 . 57.22866582 . A 71 GLU H A 71 GLU N A 71 GLU CA 1 . . . 1 81 188 . . 31699502 . 8.081177087 . 122.9602078 . 62.21034741 . A 106 VAL H A 106 VAL N A 106 VAL CA 1 . . . 1 82 189 . . 31365778 . 8.081641087 . 122.9545546 . 62.03072401 . A 106 VAL H A 106 VAL N A 106 VAL CA 1 . . . 1 86 198 . . 24084516 . 7.933993662 . 122.6229496 . 55.60795997 . A 73 LEU H A 73 LEU N A 73 LEU CA 1 . . . 1 90 202 . . 18705880 . 7.997148361 . 122.5333475 . 55.83517062 . A 89 LEU H A 89 LEU N A 89 LEU CA 1 . . . 1 92 204 . . 3255138.25 . 8.060577906 . 122.398061 . 56.63813189 . A 92 GLN H A 92 GLN N A 92 GLN CA 1 . . . 1 96 218 . . 7691102 . 8.810564777 . 122.1438254 . 57.0034481 . A 44 ASP H A 44 ASP N A 44 ASP CA 1 . . . 1 98 222 . . 34874548 . 8.102753931 . 121.9775872 . 55.60272723 . A 120 LEU H A 120 LEU N A 120 LEU CA 1 . . . 1 99 223 . . 20300826 . 7.923400298 . 122.0148748 . 63.14988391 . A 84 VAL H A 84 VAL N A 84 VAL CA 1 . . . 1 101 226 . . 6410542 . 8.125074343 . 121.855386 . 54.54728724 . A 31 ALA H A 31 ALA N A 31 ALA CA 1 . . . 1 103 228 . . 6211077 . 9.138386223 . 121.8142298 . 59.1843525 . A 18 LYS H A 18 LYS N A 18 LYS CA 1 . . . 1 105 230 . . 4289057.5 . 8.183646492 . 121.8310862 . 56.34808893 . A 138 GLN H A 138 GLN N A 138 GLN CA 1 . . . 1 107 235 . . 5080038.5 . 8.110788142 . 121.5695146 . 61.9014401 . A 41 TYR H A 41 TYR N A 41 TYR CA 1 . . . 1 109 241 . . 9901547 . 8.005357201 . 121.4729947 . 62.02165832 . A 47 VAL H A 47 VAL N A 47 VAL CA 1 . . . 1 111 244 . . 44803588 . 7.808821083 . 121.3495208 . 61.90674883 . A 99 VAL H A 99 VAL N A 99 VAL CA 1 . . . 1 114 247 . . 7701765.5 . 8.464452454 . 121.2202607 . 57.0291354 . A 53 TYR H A 53 TYR N A 53 TYR CA 1 . . . 1 116 249 . . 5412329.5 . 8.336143511 . 121.2898228 . 56.6509304 . A 38 PHE H A 38 PHE N A 38 PHE CA 1 . . . 1 119 257 . . 12689171 . 8.092473797 . 121.0499356 . 56.15128972 . A 93 MET H A 93 MET N A 93 MET CA 1 . . . 1 120 258 . . 5059106 . 8.232705325 . 120.9517945 . 55.78415893 . A 108 GLN H A 108 GLN N A 108 GLN CA 1 . . . 1 123 263 . . 17958646 . 8.201731286 . 120.735657 . 55.17556734 . A 56 ALA H A 56 ALA N A 56 ALA CA 1 . . . 1 124 264 . . 43802068 . 7.964792299 . 120.421081 . 62.32580395 . A 104 VAL H A 104 VAL N A 104 VAL CA 1 . . . 1 126 267 . . 14920485 . 8.274353816 . 120.1386274 . 55.12485241 . A 8 MET H A 8 MET N A 8 MET CA 1 . . . 1 127 268 . . 22243618 . 7.929228423 . 120.0939409 . 57.94144982 . A 74 TYR H A 74 TYR N A 74 TYR CA 1 . . . 1 129 273 . . 12812447 . 7.99280033 . 119.8500439 . 57.89781171 . A 145 TYR H A 145 TYR N A 145 TYR CA 1 . . . 1 133 278 . . 10928075 . 8.214344062 . 119.5050995 . 53.35045759 . A 72 ASN H A 72 ASN N A 72 ASN CA 1 . . . 1 134 279 . . 8595659 . 8.266510032 . 119.3769774 . 54.69383813 . A 23 GLU H A 23 GLU N A 23 GLU CA 1 . . . 1 136 282 . . 19944386 . 7.957317137 . 119.3548667 . 57.83274025 . A 140 PHE H A 140 PHE N A 140 PHE CA 1 . . . 1 138 284 . . 5240599 . 8.948523503 . 117.5106291 . 61.62980116 . A 61 THR H A 61 THR N A 61 THR CA 1 . . . 1 140 287 . . 1551326.25 . 8.101025706 . 117.4000709 . 56.29656595 . A 66 SER H A 66 SER N A 66 SER CA 1 . . . 1 142 289 . . 6010131 . 8.243963651 . 117.372936 . 59.6901645 . A 35 GLU H A 35 GLU N A 35 GLU CA 1 . . . 1 144 293 . . 6204164 . 8.14227062 . 116.9793455 . 67.00231192 . A 33 THR H A 33 THR N A 33 THR CA 1 . . . 1 146 297 . . 6523023 . 8.645405262 . 116.7027352 . 60.5055104 . A 24 THR H A 24 THR N A 24 THR CA 1 . . . 1 149 302 . . 3624994.5 . 8.126540512 . 116.3096388 . 58.62529233 . A 70 SER H A 70 SER N A 70 SER CA 1 . . . 1 152 308 . . 2025042.875 . 8.043049449 . 115.8499718 . 62.21876503 . A 113 THR H A 113 THR N A 113 THR CA 1 . . . 1 153 310 . . 6477929 . 8.620931985 . 115.7047691 . 63.34568914 . A 29 VAL H A 29 VAL N A 29 VAL CA 1 . . . 1 155 313 . . 5658922 . 8.859862854 . 115.4804644 . 62.27445169 . A 26 THR H A 26 THR N A 26 THR CA 1 . . . 1 157 316 . . 5940694 . 9.124128203 . 114.981363 . 60.57132467 . A 52 THR H A 52 THR N A 52 THR CA 1 . . . 1 159 319 . . 4621221.5 . 7.979516935 . 114.7237473 . 58.71521621 . A 96 SER H A 96 SER N A 96 SER CA 1 . . . 1 161 321 . . 2852339.5 . 8.026341521 . 114.5954372 . 59.52282563 . A 87 SER H A 87 SER N A 87 SER CA 1 . . . 1 164 325 . . 14637915 . 8.664385826 . 113.3418425 . 45.35700582 . A 65 GLY H A 65 GLY N A 65 GLY CA 1 . . . 1 165 328 . . 3502684.25 . 8.073092884 . 113.2205406 . 62.4897586 . A 135 THR H A 135 THR N A 135 THR CA 1 . . . 1 168 331 . . 3783732.75 . 8.498901014 . 112.0331258 . 45.59829143 . A 69 GLY H A 69 GLY N A 69 GLY CA 1 . . . 1 170 334 . . 14580684 . 7.802354725 . 110.6062138 . 44.81004873 . A 17 GLY H A 17 GLY N A 17 GLY CA 1 . . . 1 172 336 . . 13450741 . 8.280979043 . 110.1079278 . 45.2436767 . A 22 GLY H A 22 GLY N A 22 GLY CA 1 . . . 1 173 337 . . 6200686.5 . 8.708017877 . 109.4312226 . 61.93775737 . A 19 THR H A 19 THR N A 19 THR CA 1 . . . 1 176 340 . . 22262378 . 7.861896977 . 108.2259185 . 45.63426993 . A 49 GLY H A 49 GLY N A 49 GLY CA 1 . . . 1 178 342 . . 7403045 . 7.755449099 . 109.3085557 . 45.56808202 . A 77 GLY H A 77 GLY N A 77 GLY CA 1 . . . 1 180 344 . . 8323442.5 . 7.680729815 . 108.831705 . 46.93215936 . A 46 GLY H A 46 GLY N A 46 GLY CA 1 . . . 1 182 348 . . 8802749 . 6.895038281 . 124.2921389 . 54.90926751 . A 34 ALA H A 34 ALA N A 34 ALA CA 1 . . . 1 184 350 . . 7016846.5 . 7.331992081 . 120.2899378 . 58.79766014 . A 40 GLN H A 40 GLN N A 40 GLN CA 1 . . . 1 188 357 . . 6623540 . 7.504590493 . 129.078621 . 51.92826404 . A 54 ASP H A 54 ASP N A 54 ASP CA 1 . . . 1 191 379 . . 1667581 . 8.062472224 . 115.1882126 . 59.10027814 . A 91 SER H A 91 SER N A 91 SER CA 1 . . . 1 194 400 . . 9004236.763 . 8.116455283 . 124.3588873 . 53.65000319 . A 90 ALA H A 90 ALA N A 90 ALA CA 1 . . . 1 196 404 . . 4823604 . 8.401102709 . 125.584585 . 55.69424399 . A 115 GLN H A 115 GLN N A 115 GLN CA 1 . . . 1 198 408 . . 10447887 . 6.829274704 . 117.2919062 . 59.66615142 . A 36 LYS H A 36 LYS N A 36 LYS CA 1 . . . 1 199 409 . . 17027344 . 7.91468055 . 121.0619123 . 54.75390121 . A 32 ALA H A 32 ALA N A 32 ALA CA 1 . . . 1 200 412 . . 4831069.779 . 8.009805845 . 122.2663732 . 55.78491745 . A 141 GLN H A 141 GLN N A 141 GLN CA 1 . . . 1 201 416 . . 2541666.101 . 7.909123793 . 116.773 . 62.22604083 . A 136 THR H A 136 THR N A 136 THR CA 1 . . . 1 202 417 . . 1032911.259 . 8.212945073 . 122.9558155 . 56.0323555 . A 143 ARG H A 143 ARG N A 143 ARG CA 1 . . . 1 203 418 . . 11726277 . 7.244134702 . 111.7093386 . 62.25854965 . A 59 THR H A 59 THR N A 59 THR CA 1 . . . 1 205 425 . . 2131183.268 . 10.2873663 . 131.574 . 57.15671771 . A 60 PHE H A 60 PHE N A 60 PHE CA 1 . . . 1 206 426 . . 7960724.939 . 8.12853552 . 122.379 . 56.0773214 . A 76 GLN H A 76 GLN N A 76 GLN CA 1 . . . 1 208 428 . . 8031225.198 . 7.834221201 . 124.223 . 54.77377034 . A 27 GLU H A 27 GLU N A 27 GLU CA 1 . . . 1 ; 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 . aliased 3.85037 ppm . . . . . . 51093 5 2 . . N 15 N . aliased 29.995 ppm . . . . . . 51093 5 3 . . C 13 CO . aliased 19.9941 ppm . . . . . . 51093 5 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 51093 5 stop_ save_ save_spectral_peak_list_6 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_6 _Spectral_peak_list.Entry_ID 51093 _Spectral_peak_list.ID 6 _Spectral_peak_list.Name PL_HN(CO)CACB_GB1_pSu9(1-69) _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 3 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_3 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 6 _Spectral_peak_list.Experiment_name '3D HNCACB' _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 ; _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 1 . . -2091137.625 . 8.003837493 . 129.4339135 . 70.56085533 . A 64 GLU H A 64 GLU N A 63 THR CB 1 . . . 1 2 2 . . 1971905.875 . 8.003173224 . 129.4561596 . 60.97490292 . A 64 GLU H A 64 GLU N A 63 THR CA 1 . . . 1 3 3 . . 7213073.5 . 8.004088742 . 129.4237281 . 56.49721613 . A 64 GLU H A 64 GLU N A 64 GLU CA 1 . . . 1 4 4 . . -4249798 . 8.004393718 . 129.4203814 . 31.96979564 . A 64 GLU H A 64 GLU N A 64 GLU CB 1 . . . 1 5 5 . . 5110964 . 9.190854584 . 128.8954851 . 57.83260297 . A 51 TRP H A 51 TRP N A 51 TRP CA 1 . . . 1 6 6 . . 2090460 . 9.191375473 . 128.8801928 . 55.70614443 . A 51 TRP H A 51 TRP N A 50 GLU CA 1 . . . 1 7 7 . . -3102523.5 . 9.19059882 . 128.8886966 . 30.74816257 . A 51 TRP H A 51 TRP N A 51 TRP CB 1 . . . 1 9 9 . . 8425136 . 8.211086348 . 128.8023101 . 61.98994394 . A 100 ALA H A 100 ALA N A 99 VAL CA 1 . . . 1 10 10 . . 22018238 . 8.211571336 . 128.7948013 . 52.35955148 . A 100 ALA H A 100 ALA N A 100 ALA CA 1 . . . 1 11 11 . . -5447698 . 8.211866234 . 128.7994009 . 32.98658231 . A 100 ALA H A 100 ALA N A 99 VAL CB 1 . . . 1 13 14 . . 7769004 . 8.27372031 . 128.633413 . 62.14955251 . A 107 ALA H A 107 ALA N A 106 VAL CA 1 . . . 1 14 15 . . 20748332 . 8.274720716 . 128.6325457 . 52.4898467 . A 107 ALA H A 107 ALA N A 107 ALA CA 1 . . . 1 15 16 . . -4932209.5 . 8.274566709 . 128.6270309 . 32.955046 . A 107 ALA H A 107 ALA N A 106 VAL CB 1 . . . 1 17 18 . . 2917505.25 . 8.329349849 . 127.9172622 . 62.11048333 . A 48 ASP H A 48 ASP N A 47 VAL CA 1 . . . 1 18 19 . . 5827899.5 . 8.327688457 . 127.9295203 . 52.55097462 . A 48 ASP H A 48 ASP N A 48 ASP CA 1 . . . 1 19 20 . . -6224502 . 8.327534124 . 127.9235779 . 43.37217261 . A 48 ASP H A 48 ASP N A 48 ASP CB 1 . . . 1 20 22 . . 3316401 . 8.521226487 . 127.2026183 . 52.79117588 . A 13 LEU H A 13 LEU N A 13 LEU CA 1 . . . 1 24 28 . . 2491724 . 8.605511773 . 126.5226259 . 60.39521172 . A 15 LEU H A 15 LEU N A 14 ILE CA 1 . . . 1 25 29 . . 3466728.25 . 8.604470486 . 126.5363498 . 54.53913609 . A 15 LEU H A 15 LEU N A 15 LEU CA 1 . . . 1 26 30 . . -2732123.5 . 8.608009979 . 126.5333813 . 42.38664712 . A 15 LEU H A 15 LEU N A 15 LEU CB 1 . . . 1 28 34 . . -805671.9168 . 8.582272265 . 126.532 . 38.25508082 . A 15 LEU H A 15 LEU N A 14 ILE CB 1 . . . 1 29 39 . . 60253080 . 7.698747547 . 126.5027683 . 58.02296517 . A 149 GLU H A 149 GLU N A 149 GLU CA 1 . . . 1 30 40 . . 21263472 . 7.6985353 . 126.5080257 . 55.37722879 . A 149 GLU H A 149 GLU N A 148 LEU CA 1 . . . 1 31 41 . . -41778632 . 7.698790228 . 126.5042162 . 31.36637023 . A 149 GLU H A 149 GLU N A 149 GLU CB 1 . . . 1 32 42 . . 2579398.25 . 8.718206985 . 126.2367814 . 54.53913609 . A 16 ASN H A 16 ASN N A 15 LEU CA 1 . . . 1 33 43 . . 2730490 . 8.716508181 . 126.2276639 . 51.29460575 . A 16 ASN H A 16 ASN N A 16 ASN CA 1 . . . 1 34 44 . . -2522581.5 . 8.718243739 . 126.2095017 . 42.38664712 . A 16 ASN H A 16 ASN N A 15 LEU CB 1 . . . 1 35 45 . . -3985832.75 . 8.718139327 . 126.2056748 . 38.28234051 . A 16 ASN H A 16 ASN N A 16 ASN CB 1 . . . 1 37 47 . . 11140719 . 8.280402364 . 126.0223493 . 55.94940553 . A 105 ARG H A 105 ARG N A 105 ARG CA 1 . . . 1 38 48 . . -3196150.5 . 8.282576307 . 126.0237069 . 32.9276784 . A 105 ARG H A 105 ARG N A 104 VAL CB 1 . . . 1 39 49 . . -7357825.5 . 8.279902432 . 126.0131435 . 30.97856318 . A 105 ARG H A 105 ARG N A 105 ARG CB 1 . . . 1 40 54 . . 6832283.5 . 8.130426045 . 125.9937682 . 63.08731393 . A 85 LEU H A 85 LEU N A 84 VAL CA 1 . . . 1 41 55 . . 17274648 . 8.131317989 . 125.9877976 . 55.67125647 . A 85 LEU H A 85 LEU N A 85 LEU CA 1 . . . 1 43 57 . . -4365298 . 8.130526486 . 125.9896361 . 32.57862787 . A 85 LEU H A 85 LEU N A 84 VAL CB 1 . . . 1 44 58 . . 3838971.5 . 7.984134918 . 125.9793353 . 52.76843555 . A 97 ALA H A 97 ALA N A 97 ALA CA 1 . . . 1 45 59 . . -2777144 . 7.982018513 . 125.9901042 . 19.30055923 . A 97 ALA H A 97 ALA N A 97 ALA CB 1 . . . 1 46 60 . . 4568399.5 . 8.171927786 . 125.801074 . 52.45220113 . A 144 ALA H A 144 ALA N A 144 ALA CA 1 . . . 1 47 61 . . -3594512.25 . 8.17195961 . 125.7785935 . 19.32146532 . A 144 ALA H A 144 ALA N A 144 ALA CB 1 . . . 1 48 67 . . 6472999.5 . 8.418041407 . 125.5827193 . 56.34956448 . A 55 ASP H A 55 ASP N A 55 ASP CA 1 . . . 1 49 68 . . 3367735.75 . 8.417833674 . 125.581393 . 51.8809832 . A 55 ASP H A 55 ASP N A 54 ASP CA 1 . . . 1 50 69 . . -3096683.75 . 8.416755919 . 125.5702198 . 43.08522341 . A 55 ASP H A 55 ASP N A 54 ASP CB 1 . . . 1 51 70 . . -4540244 . 8.417693836 . 125.5807958 . 42.17922862 . A 55 ASP H A 55 ASP N A 55 ASP CB 1 . . . 1 52 73 . . 3906575.75 . 8.19064165 . 125.4757467 . 52.99214746 . A 80 ALA H A 80 ALA N A 80 ALA CA 1 . . . 1 53 74 . . -3165823.5 . 8.189225919 . 125.5311093 . 19.25656263 . A 80 ALA H A 80 ALA N A 80 ALA CB 1 . . . 1 54 75 . . 3836388 . 9.034908485 . 125.2256474 . 57.31149922 . A 11 TYR H A 11 TYR N A 11 TYR CA 1 . . . 1 55 76 . . 1993120.75 . 9.03214688 . 125.2728347 . 55.57761258 . A 11 TYR H A 11 TYR N A 10 GLN CA 1 . . . 1 56 77 . . -2804311 . 9.028846018 . 125.2503933 . 43.45532177 . A 11 TYR H A 11 TYR N A 11 TYR CB 1 . . . 1 58 80 . . 23022058 . 8.270935677 . 125.2036483 . 52.40195772 . A 103 ALA H A 103 ALA N A 103 ALA CA 1 . . . 1 61 83 . . 5271306 . 8.115376464 . 125.2123756 . 52.87268881 . A 139 ALA H A 139 ALA N A 139 ALA CA 1 . . . 1 62 84 . . -4437437.5 . 8.115376464 . 125.2123756 . 19.16423397 . A 139 ALA H A 139 ALA N A 139 ALA CB 1 . . . 1 63 87 . . 1871735.375 . 9.282481499 . 125.0594643 . 54.82155808 . A 28 ALA H A 28 ALA N A 27 GLU CA 1 . . . 1 64 88 . . 5306170 . 9.281503567 . 125.0491418 . 51.5066932 . A 28 ALA H A 28 ALA N A 28 ALA CA 1 . . . 1 66 90 . . -4288694.5 . 9.281760628 . 125.0529527 . 23.61769532 . A 28 ALA H A 28 ALA N A 28 ALA CB 1 . . . 1 67 91 . . 6908054 . 8.184761406 . 124.8741199 . 53.33131188 . A 86 ALA H A 86 ALA N A 86 ALA CA 1 . . . 1 68 92 . . -4848819.5 . 8.184761406 . 124.8741199 . 19.05325865 . A 86 ALA H A 86 ALA N A 86 ALA CB 1 . . . 1 69 93 . . 54027512 . 8.031551889 . 124.643279 . 62.59187487 . A 132 VAL H A 132 VAL N A 132 VAL CA 1 . . . 1 70 94 . . 19889260 . 8.031551889 . 124.643279 . 61.4188271 . A 132 VAL H A 132 VAL N A 131 ILE CA 1 . . . 1 72 96 . . -28389492 . 8.031551889 . 124.643279 . 32.74472191 . A 132 VAL H A 132 VAL N A 132 VAL CB 1 . . . 1 74 107 . . 15438679.96 . 8.04327607 . 125.015 . 53.04464181 . A 94 ALA H A 94 ALA N A 94 ALA CA 1 . . . 1 75 110 . . 45740552 . 8.13887434 . 124.6743808 . 55.37722879 . A 148 LEU H A 148 LEU N A 148 LEU CA 1 . . . 1 76 111 . . -32951650 . 8.138771092 . 124.6748203 . 42.44083414 . A 148 LEU H A 148 LEU N A 148 LEU CB 1 . . . 1 77 112 . . 4183526 . 7.995810883 . 124.3308774 . 55.23431905 . A 21 LYS H A 21 LYS N A 20 LEU CA 1 . . . 1 78 113 . . 6530461.5 . 7.996630776 . 124.3244332 . 54.05191982 . A 21 LYS H A 21 LYS N A 21 LYS CA 1 . . . 1 79 114 . . -2720830.25 . 7.998763937 . 124.3453741 . 43.76165757 . A 21 LYS H A 21 LYS N A 20 LEU CB 1 . . . 1 80 115 . . -4776257.5 . 7.996017975 . 124.3344662 . 35.03981115 . A 21 LYS H A 21 LYS N A 21 LYS CB 1 . . . 1 81 116 . . -8499316 . 8.095100941 . 124.246825 . 69.92883047 . A 114 ILE H A 114 ILE N A 113 THR CB 1 . . . 1 82 117 . . 9848933 . 8.095100941 . 124.246825 . 62.03016361 . A 114 ILE H A 114 ILE N A 113 THR CA 1 . . . 1 83 118 . . 26550398 . 8.095100941 . 124.246825 . 61.1297185 . A 114 ILE H A 114 ILE N A 114 ILE CA 1 . . . 1 86 121 . . 1341037.625 . 7.752587231 . 124.2816587 . 60.5299428 . A 58 LYS H A 58 LYS N A 57 THR CA 1 . . . 1 87 122 . . 5681713 . 7.759009364 . 124.2675858 . 57.30896465 . A 58 LYS H A 58 LYS N A 58 LYS CA 1 . . . 1 88 123 . . -5664363.5 . 7.758841365 . 124.2603192 . 29.84115062 . A 58 LYS H A 58 LYS N A 58 LYS CB 1 . . . 1 89 126 . . -2029630.375 . 7.838474558 . 124.2358261 . 70.03708153 . A 27 GLU H A 27 GLU N A 26 THR CB 1 . . . 1 90 127 . . 2509967.75 . 7.844015405 . 124.1962382 . 62.34815418 . A 27 GLU H A 27 GLU N A 26 THR CA 1 . . . 1 91 128 . . 7537782.5 . 7.839947691 . 124.2209709 . 54.82155808 . A 27 GLU H A 27 GLU N A 27 GLU CA 1 . . . 1 92 129 . . -5487981 . 7.841449691 . 124.2143034 . 31.7693389 . A 27 GLU H A 27 GLU N A 27 GLU CB 1 . . . 1 93 132 . . -3446304.5 . 8.220911426 . 124.0780335 . 70.56085533 . A 63 THR H A 63 THR N A 63 THR CB 1 . . . 1 94 133 . . 3748287.75 . 8.221456051 . 124.0821329 . 60.97490292 . A 63 THR H A 63 THR N A 63 THR CA 1 . . . 1 95 134 . . 2404789 . 8.220504552 . 124.0640075 . 58.11604519 . A 63 THR H A 63 THR N A 62 VAL CA 1 . . . 1 97 136 . . -634475.9835 . 8.201525038 . 124.071 . 32.47962075 . A 63 THR H A 63 THR N A 62 VAL CB 1 . . . 1 99 139 . . -2806684.784 . 8.079981853 . 123.7771382 . 32.47962075 . A 62 VAL H A 62 VAL N A 62 VAL CB 1 . . . 1 100 145 . . 1052397.625 . 8.160564004 . 123.6548743 . 62.31869492 . A 137 ARG H A 137 ARG N A 136 THR CA 1 . . . 1 101 148 . . 3415243.25 . 8.153633025 . 123.5085506 . 56.62069133 . A 137 ARG H A 137 ARG N A 137 ARG CA 1 . . . 1 103 150 . . 4104525.5 . 9.001754809 . 123.4583379 . 59.91560162 . A 39 LYS H A 39 LYS N A 39 LYS CA 1 . . . 1 104 151 . . 1566194.5 . 9.007768923 . 123.4281961 . 56.67336302 . A 39 LYS H A 39 LYS N A 38 PHE CA 1 . . . 1 106 153 . . -2501547.5 . 9.000242219 . 123.4454793 . 31.72309119 . A 39 LYS H A 39 LYS N A 39 LYS CB 1 . . . 1 108 155 . . 20845730 . 8.040939788 . 123.4521737 . 61.4188271 . A 131 ILE H A 131 ILE N A 131 ILE CA 1 . . . 1 111 160 . . 2263033.25 . 9.059470654 . 123.3317558 . 61.91054767 . A 42 ALA H A 42 ALA N A 41 TYR CA 1 . . . 1 112 161 . . 5877604 . 9.059896533 . 123.3214272 . 56.36223737 . A 42 ALA H A 42 ALA N A 42 ALA CA 1 . . . 1 113 162 . . -938739.5916 . 9.052381022 . 123.316713 . 38.74337304 . A 42 ALA H A 42 ALA N A 41 TYR CB 1 . . . 1 114 163 . . -3973425.75 . 9.059495872 . 123.3070563 . 17.94911242 . A 42 ALA H A 42 ALA N A 42 ALA CB 1 . . . 1 116 165 . . -3509772.213 . 8.114742981 . 123.243 . 32.97899921 . A 142 LYS H A 142 LYS N A 142 LYS CB 1 . . . 1 117 192 . . 1778181.25 . 9.001491183 . 123.1895697 . 57.31149922 . A 12 LYS H A 12 LYS N A 11 TYR CA 1 . . . 1 118 193 . . 4238074 . 9.000451789 . 123.1603762 . 55.20697229 . A 12 LYS H A 12 LYS N A 12 LYS CA 1 . . . 1 119 194 . . -2702305 . 9.004008961 . 123.1695235 . 36.13945516 . A 12 LYS H A 12 LYS N A 12 LYS CB 1 . . . 1 120 199 . . 6086109.534 . 8.501177996 . 122.988 . 58.7259603 . A 71 GLU H A 71 GLU N A 70 SER CA 1 . . . 1 121 200 . . 17156705.4 . 8.500983691 . 122.988 . 57.22862926 . A 71 GLU H A 71 GLU N A 71 GLU CA 1 . . . 1 122 201 . . -5332938.085 . 8.501111607 . 122.988 . 63.86814518 . A 71 GLU H A 71 GLU N A 70 SER CB 1 . . . 1 124 210 . . 14710410 . 8.147435516 . 122.9133722 . 56.43755559 . A 124 LYS H A 124 LYS N A 124 LYS CA 1 . . . 1 125 213 . . -4309702 . 8.130353033 . 122.925306 . 30.9475688 . A 124 LYS H A 124 LYS N A 124 LYS CB 1 . . . 1 126 214 . . 32472546 . 8.075769851 . 122.8870758 . 62.14955251 . A 106 VAL H A 106 VAL N A 106 VAL CA 1 . . . 1 127 215 . . 15260195 . 8.0760562 . 122.8863261 . 55.94940553 . A 106 VAL H A 106 VAL N A 105 ARG CA 1 . . . 1 130 218 . . 9385312 . 8.304165474 . 122.8285091 . 55.1991768 . A 9 LYS H A 9 LYS N A 8 MET CA 1 . . . 1 131 219 . . -5869132.5 . 8.304165474 . 122.8285091 . 34.79208953 . A 9 LYS H A 9 LYS N A 8 MET CB 1 . . . 1 132 224 . . 24997132 . 7.933935298 . 122.6221858 . 55.69650845 . A 73 LEU H A 73 LEU N A 73 LEU CA 1 . . . 1 133 225 . . 10737787 . 7.933369042 . 122.6198154 . 53.47457388 . A 73 LEU H A 73 LEU N A 72 ASN CA 1 . . . 1 136 228 . . 19954748 . 7.999570632 . 122.5349096 . 55.86904733 . A 89 LEU H A 89 LEU N A 89 LEU CA 1 . . . 1 138 230 . . 3837046 . 8.063259259 . 122.4011786 . 56.69308312 . A 92 GLN H A 92 GLN N A 92 GLN CA 1 . . . 1 139 232 . . -533139.1739 . 8.063259259 . 122.4011786 . 63.60109932 . A 92 GLN H A 92 GLN N A 91 SER CB 1 . . . 1 140 236 . . 20803900 . 8.108139881 . 122.3267108 . 62.36672162 . A 109 VAL H A 109 VAL N A 109 VAL CA 1 . . . 1 142 238 . . -8896027 . 8.108139881 . 122.3267108 . 29.65630154 . A 109 VAL H A 109 VAL N A 108 GLN CB 1 . . . 1 143 239 . . 21066168 . 8.144883444 . 122.2386371 . 53.81069931 . A 101 ARG H A 101 ARG N A 101 ARG CA 1 . . . 1 144 240 . . 9576945 . 8.144693304 . 122.2441445 . 52.35955148 . A 101 ARG H A 101 ARG N A 100 ALA CA 1 . . . 1 146 242 . . -8095374 . 8.144153938 . 122.2460824 . 19.34245245 . A 101 ARG H A 101 ARG N A 100 ALA CB 1 . . . 1 147 243 . . -4294597.5 . 8.011357282 . 122.261093 . 29.63625836 . A 141 GLN H A 141 GLN N A 141 GLN CB 1 . . . 1 148 244 . . 6480822 . 8.8150824 . 122.1627813 . 57.07629 . A 44 ASP H A 44 ASP N A 44 ASP CA 1 . . . 1 149 245 . . -4262345 . 8.8150824 . 122.1627813 . 40.11160106 . A 44 ASP H A 44 ASP N A 44 ASP CB 1 . . . 1 150 247 . . 39879720 . 8.099860288 . 121.9680699 . 55.66722533 . A 120 LEU H A 120 LEU N A 120 LEU CA 1 . . . 1 151 248 . . -27415448 . 8.100420239 . 121.9664009 . 42.20737369 . A 120 LEU H A 120 LEU N A 120 LEU CB 1 . . . 1 153 250 . . 21731362 . 7.924327837 . 121.9624487 . 63.08731393 . A 84 VAL H A 84 VAL N A 84 VAL CA 1 . . . 1 157 254 . . 5531914 . 8.129964938 . 121.886628 . 54.54815511 . A 31 ALA H A 31 ALA N A 31 ALA CA 1 . . . 1 158 255 . . 6482094.5 . 9.142896778 . 121.8261145 . 59.2376094 . A 18 LYS H A 18 LYS N A 18 LYS CA 1 . . . 1 159 256 . . 6216155 . 9.143469565 . 121.8230531 . 44.83409448 . A 18 LYS H A 18 LYS N A 17 GLY CA 1 . . . 1 160 257 . . -3478547.5 . 9.141988041 . 121.8364222 . 32.6910539 . A 18 LYS H A 18 LYS N A 18 LYS CB 1 . . . 1 161 258 . . 4752046 . 8.183407311 . 121.8149093 . 56.33752315 . A 138 GLN H A 138 GLN N A 138 GLN CA 1 . . . 1 162 259 . . -2724718.25 . 8.182630825 . 121.8070994 . 29.44148357 . A 138 GLN H A 138 GLN N A 138 GLN CB 1 . . . 1 163 260 . . 25685456 . 7.934870759 . 121.7031512 . 58.04366492 . A 75 PHE H A 75 PHE N A 74 TYR CA 1 . . . 1 165 262 . . -4833177.5 . 7.936221548 . 121.6801481 . 38.7092626 . A 75 PHE H A 75 PHE N A 74 TYR CB 1 . . . 1 166 263 . . 4363230.5 . 8.115291001 . 121.5467101 . 61.91054767 . A 41 TYR H A 41 TYR N A 41 TYR CA 1 . . . 1 167 264 . . -2104053.528 . 8.118408283 . 121.486 . 38.74337304 . A 41 TYR H A 41 TYR N A 41 TYR CB 1 . . . 1 168 268 . . 6824501 . 8.015231168 . 121.4792976 . 62.11048333 . A 47 VAL H A 47 VAL N A 47 VAL CA 1 . . . 1 169 269 . . 3291003.25 . 8.014612838 . 121.483703 . 46.9556652 . A 47 VAL H A 47 VAL N A 46 GLY CA 1 . . . 1 170 270 . . -3953642.75 . 8.013774618 . 121.4782112 . 33.30381722 . A 47 VAL H A 47 VAL N A 47 VAL CB 1 . . . 1 171 271 . . 6740591 . 7.914994934 . 121.465191 . 55.70614443 . A 50 GLU H A 50 GLU N A 50 GLU CA 1 . . . 1 172 272 . . 6927981 . 7.914962987 . 121.4426063 . 45.65498082 . A 50 GLU H A 50 GLU N A 49 GLY CA 1 . . . 1 173 273 . . -4627656.5 . 7.914336543 . 121.4323889 . 31.60173578 . A 50 GLU H A 50 GLU N A 50 GLU CB 1 . . . 1 174 274 . . 51348572 . 7.807086372 . 121.2960686 . 61.98994394 . A 99 VAL H A 99 VAL N A 99 VAL CA 1 . . . 1 175 275 . . 19429414 . 7.807086372 . 121.2960686 . 56.44557474 . A 99 VAL H A 99 VAL N A 98 LYS CA 1 . . . 1 176 276 . . -42200212 . 7.807086372 . 121.2960686 . 32.98019399 . A 99 VAL H A 99 VAL N A 98 LYS CB 1 . . . 1 177 277 . . -2564387.5 . 8.465805687 . 121.2778559 . 72.4330247 . A 53 TYR H A 53 TYR N A 52 THR CB 1 . . . 1 178 278 . . 2685774.5 . 8.465805687 . 121.2778559 . 60.56970295 . A 53 TYR H A 53 TYR N A 52 THR CA 1 . . . 1 179 279 . . 6496761.5 . 8.465805687 . 121.2778559 . 57.01986021 . A 53 TYR H A 53 TYR N A 53 TYR CA 1 . . . 1 180 280 . . -3751745.5 . 8.465805687 . 121.2778559 . 41.60728117 . A 53 TYR H A 53 TYR N A 53 TYR CB 1 . . . 1 181 282 . . 1661600 . 8.344421004 . 121.2881579 . 66.07682533 . A 38 PHE H A 38 PHE N A 37 VAL CA 1 . . . 1 182 283 . . 4609600 . 8.345733718 . 121.2951437 . 56.67336302 . A 38 PHE H A 38 PHE N A 38 PHE CA 1 . . . 1 183 284 . . -2923175 . 8.345852518 . 121.3083649 . 37.53249322 . A 38 PHE H A 38 PHE N A 38 PHE CB 1 . . . 1 185 286 . . 11134267 . 8.158027025 . 121.2689759 . 56.09315943 . A 121 GLN H A 121 GLN N A 121 GLN CA 1 . . . 1 186 287 . . -2669762.5 . 8.158027025 . 121.2689759 . 42.20737369 . A 121 GLN H A 121 GLN N A 120 LEU CB 1 . . . 1 187 288 . . -7323403.5 . 8.158027025 . 121.2689759 . 29.53249492 . A 121 GLN H A 121 GLN N A 121 GLN CB 1 . . . 1 188 296 . . 13360298 . 8.095136249 . 121.0267023 . 56.21864187 . A 93 MET H A 93 MET N A 93 MET CA 1 . . . 1 189 297 . . -5372104.5 . 8.093492425 . 121.0193347 . 32.88956802 . A 93 MET H A 93 MET N A 93 MET CB 1 . . . 1 190 298 . . -2852089.75 . 8.094022458 . 120.9992883 . 29.20580049 . A 93 MET H A 93 MET N A 92 GLN CB 1 . . . 1 191 299 . . 4343563.5 . 8.230863152 . 120.9264993 . 55.75553535 . A 108 GLN H A 108 GLN N A 108 GLN CA 1 . . . 1 192 300 . . 2504204.75 . 8.228493609 . 120.9407437 . 52.4898467 . A 108 GLN H A 108 GLN N A 107 ALA CA 1 . . . 1 193 301 . . -3450917.75 . 8.230426815 . 120.9274357 . 29.65630154 . A 108 GLN H A 108 GLN N A 108 GLN CB 1 . . . 1 194 302 . . -2014106.25 . 8.230721171 . 120.901698 . 19.35346437 . A 108 GLN H A 108 GLN N A 107 ALA CB 1 . . . 1 195 303 . . 4694736 . 8.202939818 . 120.7237283 . 56.34956448 . A 56 ALA H A 56 ALA N A 55 ASP CA 1 . . . 1 196 304 . . 14048876 . 8.203270572 . 120.7418163 . 55.17523171 . A 56 ALA H A 56 ALA N A 56 ALA CA 1 . . . 1 197 305 . . -3592353.5 . 8.203903238 . 120.7298633 . 42.17922862 . A 56 ALA H A 56 ALA N A 55 ASP CB 1 . . . 1 199 307 . . 46970184 . 7.959256475 . 120.3590281 . 62.25205596 . A 104 VAL H A 104 VAL N A 104 VAL CA 1 . . . 1 200 308 . . 22016818 . 7.958849926 . 120.3606094 . 52.40195772 . A 104 VAL H A 104 VAL N A 103 ALA CA 1 . . . 1 201 309 . . -25869440 . 7.959658296 . 120.361018 . 32.9276784 . A 104 VAL H A 104 VAL N A 104 VAL CB 1 . . . 1 204 313 . . 12404366 . 8.269265348 . 120.1586567 . 55.1991768 . A 8 MET H A 8 MET N A 8 MET CA 1 . . . 1 205 314 . . -7383300.5 . 8.269581218 . 120.1628832 . 34.79208953 . A 8 MET H A 8 MET N A 8 MET CB 1 . . . 1 207 316 . . 23960398 . 7.9277065 . 120.0921221 . 58.04366492 . A 74 TYR H A 74 TYR N A 74 TYR CA 1 . . . 1 208 317 . . 8469458 . 7.926992428 . 120.1094042 . 55.69650845 . A 74 TYR H A 74 TYR N A 73 LEU CA 1 . . . 1 209 318 . . -5806084 . 7.926492343 . 120.0928913 . 42.32084398 . A 74 TYR H A 74 TYR N A 73 LEU CB 1 . . . 1 211 321 . . 14510177 . 7.987357629 . 119.8354526 . 57.95821255 . A 145 TYR H A 145 TYR N A 145 TYR CA 1 . . . 1 212 322 . . 5308324.5 . 7.98758601 . 119.8327791 . 52.45220113 . A 145 TYR H A 145 TYR N A 144 ALA CA 1 . . . 1 213 323 . . -9941093 . 7.987859063 . 119.8251858 . 38.88632453 . A 145 TYR H A 145 TYR N A 145 TYR CB 1 . . . 1 214 324 . . -4431196 . 7.985602328 . 119.8349938 . 19.32146532 . A 145 TYR H A 145 TYR N A 144 ALA CB 1 . . . 1 215 326 . . 8331350 . 7.930298494 . 119.6142495 . 55.57761258 . A 10 GLN H A 10 GLN N A 10 GLN CA 1 . . . 1 216 327 . . -3172989 . 7.930791254 . 119.6203291 . 34.90898025 . A 10 GLN H A 10 GLN N A 9 LYS CB 1 . . . 1 217 328 . . -5785803 . 7.93071205 . 119.6324405 . 30.79428104 . A 10 GLN H A 10 GLN N A 10 GLN CB 1 . . . 1 218 330 . . 4490421.5 . 8.21792844 . 119.4934004 . 57.22862926 . A 72 ASN H A 72 ASN N A 71 GLU CA 1 . . . 1 219 331 . . 9627819 . 8.217502988 . 119.4981982 . 53.47457388 . A 72 ASN H A 72 ASN N A 72 ASN CA 1 . . . 1 221 333 . . -2861020 . 8.217066266 . 119.4927467 . 29.9749571 . A 72 ASN H A 72 ASN N A 71 GLU CB 1 . . . 1 222 334 . . 6857365 . 8.266111683 . 119.3819453 . 54.66921454 . A 23 GLU H A 23 GLU N A 23 GLU CA 1 . . . 1 224 336 . . -4399264.5 . 8.265473356 . 119.3810978 . 34.01318214 . A 23 GLU H A 23 GLU N A 23 GLU CB 1 . . . 1 225 337 . . 20624588 . 7.956707185 . 119.3449024 . 57.94897885 . A 140 PHE H A 140 PHE N A 140 PHE CA 1 . . . 1 226 338 . . 7555950 . 7.957169128 . 119.3426736 . 52.87268881 . A 140 PHE H A 140 PHE N A 139 ALA CA 1 . . . 1 228 340 . . -6300762.5 . 7.955930797 . 119.3500558 . 19.16423397 . A 140 PHE H A 140 PHE N A 139 ALA CB 1 . . . 1 229 341 . . 6560172.5 . 8.178481871 . 118.3447612 . 57.02472302 . A 43 ASN H A 43 ASN N A 43 ASN CA 1 . . . 1 230 342 . . -4962392 . 8.178481871 . 118.3447612 . 38.94585375 . A 43 ASN H A 43 ASN N A 43 ASN CB 1 . . . 1 231 343 . . -2184002.25 . 8.178481871 . 118.3447612 . 17.94911242 . A 43 ASN H A 43 ASN N A 42 ALA CB 1 . . . 1 232 344 . . -3033719.5 . 8.954258526 . 117.5428982 . 71.09121935 . A 61 THR H A 61 THR N A 61 THR CB 1 . . . 1 233 345 . . 3975269.75 . 8.954789708 . 117.5320329 . 61.58232821 . A 61 THR H A 61 THR N A 61 THR CA 1 . . . 1 234 346 . . 2171844.75 . 8.956178407 . 117.5080404 . 57.25503609 . A 61 THR H A 61 THR N A 60 PHE CA 1 . . . 1 237 349 . . 1266186.75 . 8.1124887 . 117.4253175 . 56.47724799 . A 66 SER H A 66 SER N A 66 SER CA 1 . . . 1 238 350 . . 5085423.5 . 8.245011522 . 117.3821128 . 59.75141998 . A 35 GLU H A 35 GLU N A 35 GLU CA 1 . . . 1 239 351 . . 1933273.5 . 8.244523423 . 117.3963077 . 54.96947445 . A 35 GLU H A 35 GLU N A 34 ALA CA 1 . . . 1 240 352 . . -2777922 . 8.246249921 . 117.3705428 . 29.24462026 . A 35 GLU H A 35 GLU N A 35 GLU CB 1 . . . 1 242 354 . . -3378117 . 8.149735981 . 116.9980992 . 67.98534614 . A 33 THR H A 33 THR N A 33 THR CB 1 . . . 1 243 355 . . 4258895.5 . 8.151889857 . 117.0030218 . 66.99457588 . A 33 THR H A 33 THR N A 33 THR CA 1 . . . 1 244 356 . . 1587839 . 8.154828533 . 117.0145466 . 54.78399172 . A 33 THR H A 33 THR N A 32 ALA CA 1 . . . 1 246 358 . . -3697682 . 8.656449974 . 116.7377219 . 69.63968331 . A 24 THR H A 24 THR N A 24 THR CB 1 . . . 1 247 359 . . 4498004.5 . 8.656449974 . 116.7377219 . 60.6880423 . A 24 THR H A 24 THR N A 24 THR CA 1 . . . 1 248 360 . . 2383019 . 8.656449974 . 116.7377219 . 54.66921454 . A 24 THR H A 24 THR N A 23 GLU CA 1 . . . 1 250 362 . . -2215793 . 7.908162662 . 116.7325484 . 69.71152431 . A 136 THR H A 136 THR N A 136 THR CB 1 . . . 1 251 363 . . 2164818 . 7.911905048 . 116.7511156 . 62.55787797 . A 136 THR H A 136 THR N A 135 THR CA 1 . . . 1 252 366 . . -3377664.25 . 8.124596988 . 116.3041512 . 63.86814518 . A 70 SER H A 70 SER N A 70 SER CB 1 . . . 1 253 367 . . 3255690.5 . 8.128512906 . 116.3019618 . 58.7259603 . A 70 SER H A 70 SER N A 70 SER CA 1 . . . 1 254 368 . . 3040010 . 8.125502327 . 116.3140729 . 45.61988651 . A 70 SER H A 70 SER N A 69 GLY CA 1 . . . 1 255 370 . . -2229300 . 7.974838633 . 115.8914109 . 69.75884702 . A 122 THR H A 122 THR N A 122 THR CB 1 . . . 1 256 371 . . 1917271.375 . 7.974838633 . 115.8914109 . 62.27772793 . A 122 THR H A 122 THR N A 122 THR CA 1 . . . 1 257 373 . . -934135.3125 . 7.974838633 . 115.8914109 . 29.53249492 . A 122 THR H A 122 THR N A 121 GLN CB 1 . . . 1 258 377 . . 5817333.5 . 8.619101462 . 115.7428323 . 63.45231499 . A 29 VAL H A 29 VAL N A 29 VAL CA 1 . . . 1 259 378 . . 4718808 . 8.621951426 . 115.7353143 . 51.47996133 . A 29 VAL H A 29 VAL N A 28 ALA CA 1 . . . 1 260 380 . . -3369299.5 . 8.622575829 . 115.7471742 . 32.40420474 . A 29 VAL H A 29 VAL N A 29 VAL CB 1 . . . 1 261 381 . . -3787628 . 8.619550666 . 115.730127 . 23.61769532 . A 29 VAL H A 29 VAL N A 28 ALA CB 1 . . . 1 263 383 . . -3941205.75 . 8.87048561 . 115.5115002 . 70.03708153 . A 26 THR H A 26 THR N A 26 THR CB 1 . . . 1 264 384 . . 4655592 . 8.870598494 . 115.4957934 . 62.34815418 . A 26 THR H A 26 THR N A 26 THR CA 1 . . . 1 265 385 . . 1814521 . 8.873433624 . 115.5064406 . 60.06965538 . A 26 THR H A 26 THR N A 25 THR CA 1 . . . 1 266 387 . . -3987468.5 . 9.129310684 . 114.9955384 . 72.4330247 . A 52 THR H A 52 THR N A 52 THR CB 1 . . . 1 267 388 . . 4717813 . 9.129313691 . 115.0098166 . 60.56970295 . A 52 THR H A 52 THR N A 52 THR CA 1 . . . 1 268 389 . . 2376034.5 . 9.130558899 . 114.9935404 . 57.83260297 . A 52 THR H A 52 THR N A 51 TRP CA 1 . . . 1 270 391 . . -3871355 . 7.980691601 . 114.7129002 . 63.78766713 . A 96 SER H A 96 SER N A 96 SER CB 1 . . . 1 271 392 . . 4292008.5 . 7.98042242 . 114.6946187 . 58.6629231 . A 96 SER H A 96 SER N A 96 SER CA 1 . . . 1 272 393 . . 1722234.875 . 7.982794981 . 114.6734161 . 53.11570419 . A 96 SER H A 96 SER N A 95 ALA CA 1 . . . 1 274 396 . . -2602270.75 . 8.026108896 . 114.5936917 . 63.46363722 . A 87 SER H A 87 SER N A 87 SER CB 1 . . . 1 275 397 . . 2668616.5 . 8.026108896 . 114.5936917 . 59.40550641 . A 87 SER H A 87 SER N A 87 SER CA 1 . . . 1 276 398 . . 1587120 . 8.026108896 . 114.5936917 . 53.33131188 . A 87 SER H A 87 SER N A 86 ALA CA 1 . . . 1 278 400 . . 2636764 . 8.663960256 . 113.3291034 . 56.49721613 . A 65 GLY H A 65 GLY N A 64 GLU CA 1 . . . 1 279 401 . . 15572876 . 8.664459863 . 113.3204027 . 45.36493217 . A 65 GLY H A 65 GLY N A 65 GLY CA 1 . . . 1 280 402 . . -2108350 . 8.664474267 . 113.2916499 . 31.96979564 . A 65 GLY H A 65 GLY N A 64 GLU CB 1 . . . 1 281 403 . . -2597074.75 . 8.073317978 . 113.2170674 . 69.61959011 . A 135 THR H A 135 THR N A 135 THR CB 1 . . . 1 282 404 . . 2674659.25 . 8.074511546 . 113.2152094 . 62.55787797 . A 135 THR H A 135 THR N A 135 THR CA 1 . . . 1 283 405 . . 1182595.5 . 8.072166595 . 113.208769 . 53.26754099 . A 135 THR H A 135 THR N A 134 ALA CA 1 . . . 1 285 408 . . -5349374.5 . 7.986583667 . 112.8212417 . 73.41314624 . A 25 THR H A 25 THR N A 25 THR CB 1 . . . 1 287 410 . . 6725117 . 7.986583667 . 112.8212417 . 60.06965538 . A 25 THR H A 25 THR N A 25 THR CA 1 . . . 1 288 411 . . 3793366.75 . 8.502307148 . 112.0341692 . 45.61988651 . A 69 GLY H A 69 GLY N A 69 GLY CA 1 . . . 1 289 412 . . 12290272 . 7.810405068 . 110.5933764 . 44.83409448 . A 17 GLY H A 17 GLY N A 17 GLY CA 1 . . . 1 291 414 . . 11434136 . 8.287590086 . 110.1053396 . 45.25953251 . A 22 GLY H A 22 GLY N A 22 GLY CA 1 . . . 1 292 415 . . 1385988.875 . 8.286754647 . 110.0587398 . 54.05191982 . A 22 GLY H A 22 GLY N A 21 LYS CA 1 . . . 1 294 417 . . -3993481 . 8.710740207 . 109.4605093 . 69.77665211 . A 19 THR H A 19 THR N A 19 THR CB 1 . . . 1 295 418 . . 3986563 . 8.70933644 . 109.4645866 . 62.08448515 . A 19 THR H A 19 THR N A 19 THR CA 1 . . . 1 296 419 . . 1540644.5 . 8.707655321 . 109.4560713 . 59.2376094 . A 19 THR H A 19 THR N A 18 LYS CA 1 . . . 1 297 420 . . 2675682.25 . 7.870520239 . 108.2287761 . 52.55097462 . A 49 GLY H A 49 GLY N A 48 ASP CA 1 . . . 1 298 421 . . 17909004 . 7.871290595 . 108.2272931 . 45.65498082 . A 49 GLY H A 49 GLY N A 49 GLY CA 1 . . . 1 299 422 . . -2800939.25 . 7.870800917 . 108.2428988 . 43.37217261 . A 49 GLY H A 49 GLY N A 48 ASP CB 1 . . . 1 301 424 . . 6611207.5 . 7.763707349 . 109.3098804 . 45.57463096 . A 77 GLY H A 77 GLY N A 77 GLY CA 1 . . . 1 303 426 . . 1437218.375 . 7.69655382 . 108.7930284 . 53.87619605 . A 46 GLY H A 46 GLY N A 45 ASN CA 1 . . . 1 304 427 . . 7340740.5 . 7.693986497 . 108.8452525 . 46.9556652 . A 46 GLY H A 46 GLY N A 46 GLY CA 1 . . . 1 307 430 . . 1487004.5 . 6.909664938 . 124.2742054 . 66.99457588 . A 34 ALA H A 34 ALA N A 33 THR CA 1 . . . 1 308 431 . . 7947580.5 . 6.908924263 . 124.2861559 . 54.96947445 . A 34 ALA H A 34 ALA N A 34 ALA CA 1 . . . 1 309 432 . . -5691198.5 . 6.908054303 . 124.301862 . 17.47193649 . A 34 ALA H A 34 ALA N A 34 ALA CB 1 . . . 1 310 433 . . 5926881 . 7.1784803 . 121.1790976 . 66.07682533 . A 37 VAL H A 37 VAL N A 37 VAL CA 1 . . . 1 311 434 . . 1763584.75 . 7.179525453 . 121.1696925 . 59.77129328 . A 37 VAL H A 37 VAL N A 36 LYS CA 1 . . . 1 312 435 . . -3249141.25 . 7.178438429 . 121.1730053 . 32.32362768 . A 37 VAL H A 37 VAL N A 36 LYS CB 1 . . . 1 313 437 . . 1230323.625 . 7.34200291 . 120.3048375 . 59.91560162 . A 40 GLN H A 40 GLN N A 39 LYS CA 1 . . . 1 314 438 . . 5889408.5 . 7.343366114 . 120.2914147 . 58.8245858 . A 40 GLN H A 40 GLN N A 40 GLN CA 1 . . . 1 315 439 . . -873595.5625 . 7.342767403 . 120.281384 . 31.72309119 . A 40 GLN H A 40 GLN N A 39 LYS CB 1 . . . 1 316 440 . . -3355552.75 . 7.344784643 . 120.2800776 . 28.27681597 . A 40 GLN H A 40 GLN N A 40 GLN CB 1 . . . 1 317 441 . . 9269829 . 6.845327802 . 117.3018266 . 59.75141998 . A 36 LYS H A 36 LYS N A 35 GLU CA 1 . . . 1 318 442 . . -4265228 . 6.845427333 . 117.3004245 . 32.32362768 . A 36 LYS H A 36 LYS N A 36 LYS CB 1 . . . 1 320 444 . . 1976845.75 . 7.251117984 . 115.7221401 . 63.45231499 . A 30 ASP H A 30 ASP N A 29 VAL CA 1 . . . 1 321 445 . . 16905922 . 7.25471389 . 115.7059046 . 52.74533462 . A 30 ASP H A 30 ASP N A 30 ASP CA 1 . . . 1 324 448 . . 3513554 . 7.26535329 . 115.9593014 . 53.87619605 . A 45 ASN H A 45 ASN N A 45 ASN CA 1 . . . 1 325 449 . . -3731999.25 . 7.26535329 . 115.9593014 . 40.11160106 . A 45 ASN H A 45 ASN N A 44 ASP CB 1 . . . 1 326 450 . . 3301460.25 . 7.515809057 . 129.1036482 . 57.01986021 . A 54 ASP H A 54 ASP N A 53 TYR CA 1 . . . 1 327 451 . . 5296874.5 . 7.51869672 . 129.094703 . 51.8809832 . A 54 ASP H A 54 ASP N A 54 ASP CA 1 . . . 1 328 452 . . -4505185 . 7.517236391 . 129.0978917 . 43.08522341 . A 54 ASP H A 54 ASP N A 54 ASP CB 1 . . . 1 329 453 . . -2230266.5 . 7.517801369 . 129.0829775 . 41.60728117 . A 54 ASP H A 54 ASP N A 53 TYR CB 1 . . . 1 330 454 . . -2178792.75 . 7.210834036 . 125.5358795 . 69.77665211 . A 20 LEU H A 20 LEU N A 19 THR CB 1 . . . 1 331 455 . . 2162429.5 . 7.213021592 . 125.5360758 . 62.08448515 . A 20 LEU H A 20 LEU N A 19 THR CA 1 . . . 1 332 456 . . 9687868 . 7.212152612 . 125.5481937 . 55.23431905 . A 20 LEU H A 20 LEU N A 20 LEU CA 1 . . . 1 333 457 . . -6626105 . 7.21104618 . 125.5518064 . 43.76165757 . A 20 LEU H A 20 LEU N A 20 LEU CB 1 . . . 1 334 458 . . -7496972 . 6.895120997 . 104.0008818 . 70.2548598 . A 57 THR H A 57 THR N A 57 THR CB 1 . . . 1 335 459 . . 7112568.5 . 6.894109424 . 103.9846583 . 60.5299428 . A 57 THR H A 57 THR N A 57 THR CA 1 . . . 1 336 460 . . 2282236.5 . 6.893564727 . 103.9654213 . 55.17523171 . A 57 THR H A 57 THR N A 56 ALA CA 1 . . . 1 337 461 . . -2065570.5 . 6.896752278 . 103.9520399 . 18.40416082 . A 57 THR H A 57 THR N A 56 ALA CB 1 . . . 1 338 462 . . 1945371.568 . 8.218150128 . 122.9397244 . 55.9957203 . A 143 ARG H A 143 ARG N A 143 ARG CA 1 . . . 1 340 467 . . 1251292.75 . 8.0620421 . 115.1650805 . 59.11207277 . A 91 SER H A 91 SER N A 91 SER CA 1 . . . 1 342 469 . . 12375905.32 . 7.994968389 . 120.605 . 56.44557474 . A 98 LYS H A 98 LYS N A 98 LYS CA 1 . . . 1 343 470 . . 5145015.51 . 7.995465311 . 120.605 . 52.76843555 . A 98 LYS H A 98 LYS N A 97 ALA CA 1 . . . 1 344 471 . . -8580443.235 . 7.992588481 . 120.605 . 32.98019399 . A 98 LYS H A 98 LYS N A 98 LYS CB 1 . . . 1 345 472 . . -4352069.137 . 7.991581453 . 120.605 . 19.30055923 . A 98 LYS H A 98 LYS N A 97 ALA CB 1 . . . 1 346 476 . . 3410274.62 . 8.116791148 . 124.3588873 . 55.86904733 . A 90 ALA H A 90 ALA N A 89 LEU CA 1 . . . 1 347 477 . . 9559079.69 . 8.116791148 . 124.3588873 . 53.64996663 . A 90 ALA H A 90 ALA N A 90 ALA CA 1 . . . 1 348 478 . . -2645011.587 . 8.116791148 . 124.3588873 . 42.22182245 . A 90 ALA H A 90 ALA N A 89 LEU CB 1 . . . 1 349 479 . . -7572515.796 . 8.116791148 . 124.3588873 . 18.84165115 . A 90 ALA H A 90 ALA N A 90 ALA CB 1 . . . 1 350 480 . . 1884074 . 8.400690207 . 125.5420978 . 61.1297185 . A 115 GLN H A 115 GLN N A 114 ILE CA 1 . . . 1 351 481 . . 4310953.5 . 8.395189129 . 125.5533371 . 55.79951736 . A 115 GLN H A 115 GLN N A 115 GLN CA 1 . . . 1 352 482 . . -2865791.5 . 8.394360793 . 125.5450184 . 29.52008049 . A 115 GLN H A 115 GLN N A 115 GLN CB 1 . . . 1 353 483 . . -4104210.25 . 8.037627176 . 125.1042978 . 69.75884702 . A 123 LEU H A 123 LEU N A 122 THR CB 1 . . . 1 354 484 . . 53281680 . 8.037627176 . 125.1042978 . 62.27772793 . A 123 LEU H A 123 LEU N A 122 THR CA 1 . . . 1 355 485 . . 13871397 . 8.037627176 . 125.1042978 . 55.49587037 . A 123 LEU H A 123 LEU N A 123 LEU CA 1 . . . 1 356 486 . . -9390256 . 8.037627176 . 125.1042978 . 42.44496533 . A 123 LEU H A 123 LEU N A 123 LEU CB 1 . . . 1 358 491 . . -3592160.87 . 8.123838386 . 121.932 . 17.70375426 . A 31 ALA H A 31 ALA N A 31 ALA CB 1 . . . 1 360 493 . . 14342199 . 7.914913114 . 121.072663 . 54.78399172 . A 32 ALA H A 32 ALA N A 32 ALA CA 1 . . . 1 363 497 . . -6000524 . 7.25611136 . 111.7437528 . 72.07690795 . A 59 THR H A 59 THR N A 59 THR CB 1 . . . 1 364 498 . . 7997152 . 7.25611136 . 111.7437528 . 62.3766713 . A 59 THR H A 59 THR N A 59 THR CA 1 . . . 1 367 502 . . -2157414 . 8.130353033 . 122.3627568 . 39.61360241 . A 76 GLN H A 76 GLN N A 75 PHE CB 1 . . . 1 368 504 . . -2401126 . 8.318175885 . 123.2065807 . 39.0069921 . A 133 ASN H A 133 ASN N A 133 ASN CB 1 . . . 1 369 517 . . 847125.0825 . 8.016375311 . 117.6685744 . 57.95821255 . A 146 SER H A 146 SER N A 145 TYR CA 1 . . . 1 370 518 . . 27204.05182 . 8.012117596 . 117.6685744 . 38.88632453 . A 146 SER H A 146 SER N A 145 TYR CB 1 . . . 1 371 519 . . -626782.169 . 8.014085734 . 117.6685744 . 64.06497024 . A 146 SER H A 146 SER N A 146 SER CB 1 . . . 1 372 520 . . -797195.9637 . 8.995124364 . 123.1707331 . 43.45532177 . A 12 LYS H A 12 LYS N A 11 TYR CB 1 . . . 1 373 521 . . 1987041.367 . 8.952769792 . 126.8918082 . 60.39521172 . A 14 ILE H A 14 ILE N A 14 ILE CA 1 . . . 1 374 522 . . 3905217.197 . 8.079981853 . 123.7771382 . 58.11604519 . A 62 VAL H A 62 VAL N A 62 VAL CA 1 . . . 1 375 523 . . -2012463.615 . 8.063259259 . 122.4011786 . 29.20580049 . A 92 GLN H A 92 GLN N A 92 GLN CB 1 . . . 1 377 525 . . 14474949.2 . 8.051534339 . 123.1678906 . 53.11570419 . A 95 ALA H A 95 ALA N A 95 ALA CA 1 . . . 1 378 526 . . 7364953.109 . 8.282669779 . 126.136728 . 55.94940553 . A 105 ARG H A 105 ARG N A 105 ARG CA 1 . . . 1 379 527 . . -4947720.329 . 8.281803713 . 126.136728 . 30.97856318 . A 105 ARG H A 105 ARG N A 105 ARG CB 1 . . . 1 382 530 . . 642430.8347 . 8.127976428 . 117.281405 . 62.03016361 . A 113 THR H A 113 THR N A 113 THR CA 1 . . . 1 383 531 . . 629090.4206 . 8.113300468 . 116.4518837 . 61.92675731 . A 116 THR H A 116 THR N A 116 THR CA 1 . . . 1 385 533 . . -814874.5865 . 8.121226799 . 116.4518837 . 69.01784912 . A 116 THR H A 116 THR N A 116 THR CB 1 . . . 1 386 534 . . 1263902.699 . 8.303237509 . 111.7824438 . 45.03946409 . A 117 GLY H A 117 GLY N A 117 GLY CA 1 . . . 1 387 535 . . 2625186.787 . 8.319550705 . 123.1741769 . 53.23927058 . A 133 ASN H A 133 ASN N A 133 ASN CA 1 . . . 1 388 536 . . -458123.8735 . 8.205249066 . 124.9867223 . 39.0069921 . A 134 ALA H A 134 ALA N A 133 ASN CB 1 . . . 1 389 537 . . 3481585.021 . 8.207749661 . 124.9867223 . 53.23927058 . A 134 ALA H A 134 ALA N A 133 ASN CA 1 . . . 1 390 538 . . -3089491.426 . 8.188028645 . 124.9867223 . 19.28564548 . A 134 ALA H A 134 ALA N A 134 ALA CB 1 . . . 1 391 539 . . 4967073.652 . 8.117334421 . 123.2480181 . 56.62586144 . A 142 LYS H A 142 LYS N A 142 LYS CA 1 . . . 1 392 541 . . 720799.4864 . 8.15246056 . 118.4295793 . 58.54513796 . A 147 SER H A 147 SER N A 147 SER CA 1 . . . 1 ; 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 . aliased 3.85037 ppm . . . . . . 51093 6 2 . . N 15 N . aliased 29.995 ppm . . . . . . 51093 6 3 . . C 13 CA/CB . aliased 69.9394 ppm . . . . . . 51093 6 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 51093 6 stop_ save_ save_spectral_peak_list_7 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_7 _Spectral_peak_list.Entry_ID 51093 _Spectral_peak_list.ID 7 _Spectral_peak_list.Name PL_HN(CO)CA_GB1_pSu9(1-69) _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 3 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_3 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name '3D HN(CO)CA' _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 ; _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 1 . . 14691067 . 8.006140493 . 129.4030412 . 60.97490292 . A 64 GLU H A 64 GLU N A 63 THR CA 1 . . . 1 2 2 . . 12720561 . 9.191028863 . 128.8719354 . 55.70614443 . A 51 TRP H A 51 TRP N A 50 GLU CA 1 . . . 1 3 4 . . 47273664 . 8.212699039 . 128.7782748 . 61.98994394 . A 100 ALA H A 100 ALA N A 99 VAL CA 1 . . . 1 4 6 . . -4221227 . 8.274924122 . 128.6054011 . 62.74237873 . A 107 ALA H A 107 ALA N . . . . 1 . . . 1 5 7 . . 43270928 . 8.275208043 . 128.6061182 . 62.14955251 . A 107 ALA H A 107 ALA N A 106 VAL CA 1 . . . 1 6 8 . . 16176698 . 8.328950487 . 127.9080461 . 62.11048333 . A 48 ASP H A 48 ASP N A 47 VAL CA 1 . . . 1 7 9 . . 7602338 . 8.522182318 . 127.1849365 . 55.22730387 . A 13 LEU H A 13 LEU N A 12 LYS CA 1 . . . 1 8 11 . . 9690208 . 8.607039124 . 126.5116208 . 60.39521172 . A 15 LEU H A 15 LEU N A 14 ILE CA 1 . . . 1 9 16 . . 179170256 . 7.700212695 . 126.4861568 . 55.37722879 . A 149 GLU H A 149 GLU N A 148 LEU CA 1 . . . 1 10 17 . . 11062017 . 8.718347647 . 126.2000824 . 54.53913609 . A 16 ASN H A 16 ASN N A 15 LEU CA 1 . . . 1 12 21 . . 38971364 . 8.131534816 . 125.9654417 . 63.08731393 . A 85 LEU H A 85 LEU N A 84 VAL CA 1 . . . 1 13 22 . . -52246.03964 . 8.130009737 . 125.988 . 55.67125647 . A 85 LEU H A 85 LEU N A 85 LEU CA 1 . . . 1 14 23 . . 6309383 . 7.985478057 . 125.9607122 . 58.6629231 . A 97 ALA H A 97 ALA N A 96 SER CA 1 . . . 1 15 24 . . 7200830 . 8.172519383 . 125.7772566 . 55.9957203 . A 144 ALA H A 144 ALA N A 143 ARG CA 1 . . . 1 16 28 . . 13833285 . 8.419027792 . 125.5623556 . 51.8809832 . A 55 ASP H A 55 ASP N A 54 ASP CA 1 . . . 1 18 30 . . 8210754 . 9.034610779 . 125.204831 . 55.57761258 . A 11 TYR H A 11 TYR N A 10 GLN CA 1 . . . 1 20 34 . . 1913403.5 . 8.115376464 . 125.2123756 . 63.07297616 . A 139 ALA H A 139 ALA N . . . . 1 . . . 1 21 35 . . -1850942 . 8.115376464 . 125.2123756 . 58.46554529 . A 139 ALA H A 139 ALA N . . . . 1 . . . 1 22 36 . . -5216615.5 . 8.115376464 . 125.2123756 . 58.43515504 . A 139 ALA H A 139 ALA N . . . . 1 . . . 1 24 38 . . 10626440 . 9.2832526 . 125.0307915 . 54.82155808 . A 28 ALA H A 28 ALA N A 27 GLU CA 1 . . . 1 25 39 . . 10574200 . 8.184761406 . 124.8741199 . 42.28401757 . A 86 ALA H A 86 ALA N A 85 LEU CB 1 . . . 1 26 42 . . 107191352 . 8.140225008 . 124.6596424 . 58.54513796 . A 148 LEU H A 148 LEU N A 147 SER CA 1 . . . 1 28 50 . . 134739232 . 8.031551889 . 124.643279 . 61.4188271 . A 132 VAL H A 132 VAL N A 131 ILE CA 1 . . . 1 30 54 . . 310677.4043 . 8.04327607 . 125.015 . 53.04464181 . A 94 ALA H A 94 ALA N A 94 ALA CA 1 . . . 1 31 55 . . 17319650 . 7.997705685 . 124.3216229 . 55.23431905 . A 21 LYS H A 21 LYS N A 20 LEU CA 1 . . . 1 33 58 . . 19279608 . 7.759599369 . 124.2493363 . 60.5299428 . A 58 LYS H A 58 LYS N A 57 THR CA 1 . . . 1 34 61 . . 16473004 . 7.841959215 . 124.1981699 . 62.34815418 . A 27 GLU H A 27 GLU N A 26 THR CA 1 . . . 1 36 64 . . 11003206 . 8.222114901 . 124.0539907 . 58.11604519 . A 63 THR H A 63 THR N A 62 VAL CA 1 . . . 1 37 65 . . 27388188.28 . 8.201525038 . 124.071 . 32.47962075 . A 63 THR H A 63 THR N A 62 VAL CB 1 . . . 1 38 67 . . 11058641 . 8.079981853 . 123.7771382 . 61.58232821 . A 62 VAL H A 62 VAL N A 61 THR CA 1 . . . 1 40 70 . . 11420024 . 9.002883324 . 123.4370343 . 56.67336302 . A 39 LYS H A 39 LYS N A 38 PHE CA 1 . . . 1 42 72 . . 14091603 . 9.061190501 . 123.2987633 . 61.91054767 . A 42 ALA H A 42 ALA N A 41 TYR CA 1 . . . 1 43 73 . . 8307903 . 8.115246141 . 123.2599893 . 55.83815394 . A 142 LYS H A 142 LYS N A 141 GLN CA 1 . . . 1 44 99 . . 25496332 . 8.052168417 . 123.1915811 . 53.04464181 . A 95 ALA H A 95 ALA N A 94 ALA CA 1 . . . 1 45 105 . . 9208518 . 9.003729771 . 123.1581828 . 57.31149922 . A 12 LYS H A 12 LYS N A 11 TYR CA 1 . . . 1 46 106 . . 4529260.5 . 8.319062626 . 123.1309209 . 62.59187487 . A 133 ASN H A 133 ASN N A 132 VAL CA 1 . . . 1 47 110 . . 34931601.03 . 8.501177996 . 122.988 . 58.7259603 . A 71 GLU H A 71 GLU N A 70 SER CA 1 . . . 1 48 111 . . 29887.53803 . 8.500983691 . 122.988 . 57.22862926 . A 71 GLU H A 71 GLU N A 71 GLU CA 1 . . . 1 49 112 . . 121685.7076 . 8.501111607 . 122.988 . 63.86814518 . A 71 GLU H A 71 GLU N A 70 SER CB 1 . . . 1 50 113 . . -20427038.98 . 8.501054736 . 122.988 . 29.9749571 . A 71 GLU H A 71 GLU N A 71 GLU CB 1 . . . 1 51 120 . . 25744732 . 8.151063476 . 122.8940028 . 55.49587037 . A 124 LYS H A 124 LYS N A 123 LEU CA 1 . . . 1 52 122 . . 76099568 . 8.076966882 . 122.8708758 . 55.94940553 . A 106 VAL H A 106 VAL N A 105 ARG CA 1 . . . 1 53 123 . . 16616283 . 8.304165474 . 122.8285091 . 55.1991768 . A 9 LYS H A 9 LYS N A 8 MET CA 1 . . . 1 54 130 . . 64695972 . 7.934899926 . 122.5972592 . 53.47457388 . A 73 LEU H A 73 LEU N A 72 ASN CA 1 . . . 1 56 133 . . 2372649.244 . 8.063259259 . 122.4011786 . 59.11207277 . A 92 GLN H A 92 GLN N A 91 SER CA 1 . . . 1 57 134 . . 327517.4022 . 8.063259259 . 122.4011786 . 63.60109932 . A 92 GLN H A 92 GLN N A 91 SER CB 1 . . . 1 58 148 . . 2000633.625 . 8.108139881 . 122.3267108 . 63.50146772 . A 109 VAL H A 109 VAL N . . . . 1 . . . 1 59 150 . . 43403452 . 8.108139881 . 122.3267108 . 55.75553535 . A 109 VAL H A 109 VAL N A 108 GLN CA 1 . . . 1 60 153 . . 52591196 . 8.146040164 . 122.2193635 . 52.35955148 . A 101 ARG H A 101 ARG N A 100 ALA CA 1 . . . 1 61 155 . . 11366336 . 8.012390629 . 122.2260347 . 57.94897885 . A 141 GLN H A 141 GLN N A 140 PHE CA 1 . . . 1 62 159 . . 13001292 . 8.8150824 . 122.1627813 . 57.02472302 . A 44 ASP H A 44 ASP N A 43 ASN CA 1 . . . 1 64 165 . . 2605218.75 . 8.101198235 . 121.801418 . 55.68166646 . A 120 LEU H A 120 LEU N . . . . 1 . . . 1 66 172 . . 13750481 . 8.129476262 . 121.8537899 . 52.74533462 . A 31 ALA H A 31 ALA N A 30 ASP CA 1 . . . 1 67 173 . . 17010254 . 9.144671556 . 121.8087944 . 44.83409448 . A 18 LYS H A 18 LYS N A 17 GLY CA 1 . . . 1 69 177 . . 37846856 . 7.936012011 . 121.6840415 . 58.04366492 . A 75 PHE H A 75 PHE N A 74 TYR CA 1 . . . 1 70 179 . . -1193329.5 . 7.924745931 . 121.84487 . 54.55174446 . A 75 PHE H A 75 PHE N . . . . 1 . . . 1 71 181 . . -1367755.75 . 7.924627417 . 121.8523757 . 53.4400729 . A 75 PHE H A 75 PHE N . . . . 1 . . . 1 72 185 . . 9843451 . 8.119613699 . 121.5468832 . 58.8245858 . A 41 TYR H A 41 TYR N A 40 GLN CA 1 . . . 1 73 186 . . -28366230.67 . 8.118408283 . 121.486 . 38.74337304 . A 41 TYR H A 41 TYR N A 41 TYR CB 1 . . . 1 74 208 . . 20142442 . 8.015225968 . 121.4666748 . 46.9556652 . A 47 VAL H A 47 VAL N A 46 GLY CA 1 . . . 1 75 212 . . -3438521.5 . 7.927292243 . 121.5761094 . 56.76950029 . A 50 GLU H A 50 GLU N . . . . 1 . . . 1 76 216 . . 21023926 . 7.916178872 . 121.4236623 . 45.65498082 . A 50 GLU H A 50 GLU N A 49 GLY CA 1 . . . 1 77 221 . . 124375056 . 7.807086372 . 121.2960686 . 56.44557474 . A 99 VAL H A 99 VAL N A 98 LYS CA 1 . . . 1 78 225 . . 14658189 . 8.465805687 . 121.2778559 . 60.56970295 . A 53 TYR H A 53 TYR N A 52 THR CA 1 . . . 1 79 230 . . 11750123 . 8.346540028 . 121.2758945 . 66.07682533 . A 38 PHE H A 38 PHE N A 37 VAL CA 1 . . . 1 81 238 . . 22573576 . 8.094764461 . 120.98689 . 56.69308312 . A 93 MET H A 93 MET N A 92 GLN CA 1 . . . 1 82 239 . . 9141503 . 8.231225435 . 120.9134438 . 52.4898467 . A 108 GLN H A 108 GLN N A 107 ALA CA 1 . . . 1 83 241 . . 44617556 . 8.204528127 . 120.7208077 . 56.34956448 . A 56 ALA H A 56 ALA N A 55 ASP CA 1 . . . 1 84 244 . . 136150096 . 7.960444696 . 120.3410602 . 52.40195772 . A 104 VAL H A 104 VAL N A 103 ALA CA 1 . . . 1 86 249 . . 55396316 . 7.92905074 . 120.0755703 . 55.69650845 . A 74 TYR H A 74 TYR N A 73 LEU CA 1 . . . 1 87 253 . . 28982950 . 7.988247034 . 119.8090015 . 52.45220113 . A 145 TYR H A 145 TYR N A 144 ALA CA 1 . . . 1 88 255 . . 22745354 . 7.931354792 . 119.6083846 . 54.98738967 . A 10 GLN H A 10 GLN N A 9 LYS CA 1 . . . 1 89 256 . . -3700378.5 . 7.932836961 . 119.6897286 . 55.57761258 . A 10 GLN H A 10 GLN N A 10 GLN CA 1 . . . 1 90 257 . . 22167054 . 8.219285701 . 119.4809753 . 57.22862926 . A 72 ASN H A 72 ASN N A 71 GLU CA 1 . . . 1 91 258 . . 17279132 . 8.267611752 . 119.3649382 . 45.25953251 . A 23 GLU H A 23 GLU N A 22 GLY CA 1 . . . 1 93 262 . . 18767590 . 8.178481871 . 118.3447612 . 56.36223737 . A 43 ASN H A 43 ASN N A 42 ALA CA 1 . . . 1 94 263 . . 10246724 . 8.955764081 . 117.5090193 . 57.25503609 . A 61 THR H A 61 THR N A 60 PHE CA 1 . . . 1 95 264 . . 1877583.625 . 8.102131719 . 117.3957092 . 45.36493217 . A 66 SER H A 66 SER N A 65 GLY CA 1 . . . 1 96 265 . . 15107829 . 8.245745969 . 117.3579908 . 54.96947445 . A 35 GLU H A 35 GLU N A 34 ALA CA 1 . . . 1 97 267 . . 19180924 . 8.153899189 . 116.9723226 . 54.78399172 . A 33 THR H A 33 THR N A 32 ALA CA 1 . . . 1 98 268 . . 12459303 . 8.656449974 . 116.7377219 . 54.66921454 . A 24 THR H A 24 THR N A 23 GLU CA 1 . . . 1 100 272 . . 6917711 . 8.127813588 . 116.2924474 . 45.61988651 . A 70 SER H A 70 SER N A 69 GLY CA 1 . . . 1 101 273 . . 3920989.25 . 7.974838633 . 115.8914109 . 56.09315943 . A 122 THR H A 122 THR N A 121 GLN CA 1 . . . 1 102 275 . . 17647236 . 8.621399537 . 115.7263123 . 51.47996133 . A 29 VAL H A 29 VAL N A 28 ALA CA 1 . . . 1 103 276 . . 10306765 . 8.871895453 . 115.4844757 . 60.06965538 . A 26 THR H A 26 THR N A 25 THR CA 1 . . . 1 104 277 . . 12258172 . 9.130204731 . 114.9913631 . 57.83260297 . A 52 THR H A 52 THR N A 51 TRP CA 1 . . . 1 105 278 . . 7548367 . 7.980332452 . 114.6808848 . 53.11570419 . A 96 SER H A 96 SER N A 95 ALA CA 1 . . . 1 106 279 . . 5034752 . 8.026108896 . 114.5936917 . 53.33131188 . A 87 SER H A 87 SER N A 86 ALA CA 1 . . . 1 107 280 . . 13869750 . 8.665321425 . 113.3004906 . 56.49721613 . A 65 GLY H A 65 GLY N A 64 GLU CA 1 . . . 1 109 282 . . 12160999 . 7.986583667 . 112.8212417 . 60.6880423 . A 25 THR H A 25 THR N A 24 THR CA 1 . . . 1 111 284 . . 14791640 . 7.809938689 . 110.5782948 . 51.29460575 . A 17 GLY H A 17 GLY N A 16 ASN CA 1 . . . 1 112 285 . . 13445214 . 8.288847759 . 110.0855215 . 54.05191982 . A 22 GLY H A 22 GLY N A 21 LYS CA 1 . . . 1 113 286 . . 10912783 . 8.711795053 . 109.4461659 . 59.2376094 . A 19 THR H A 19 THR N A 18 LYS CA 1 . . . 1 114 287 . . 28579370 . 7.871771491 . 108.2132145 . 52.55097462 . A 49 GLY H A 49 GLY N A 48 ASP CA 1 . . . 1 116 289 . . 11623205 . 7.694249287 . 108.8276585 . 53.87619605 . A 46 GLY H A 46 GLY N A 45 ASN CA 1 . . . 1 117 290 . . 12164490 . 6.909352451 . 124.2592655 . 66.99457588 . A 34 ALA H A 34 ALA N A 33 THR CA 1 . . . 1 118 291 . . 15510461 . 7.179842138 . 121.1643166 . 59.77129328 . A 37 VAL H A 37 VAL N A 36 LYS CA 1 . . . 1 119 292 . . 16647941 . 7.344871741 . 120.2760989 . 59.91560162 . A 40 GLN H A 40 GLN N A 39 LYS CA 1 . . . 1 120 294 . . 20552884 . 6.846179667 . 117.2911023 . 59.75141998 . A 36 LYS H A 36 LYS N A 35 GLU CA 1 . . . 1 121 296 . . 36919376 . 7.255437621 . 115.6863817 . 63.45231499 . A 30 ASP H A 30 ASP N A 29 VAL CA 1 . . . 1 122 298 . . 7961695 . 7.26535329 . 115.9593014 . 57.07629 . A 45 ASN H A 45 ASN N A 44 ASP CA 1 . . . 1 123 299 . . 15968977 . 7.518465491 . 129.0797157 . 57.01986021 . A 54 ASP H A 54 ASP N A 53 TYR CA 1 . . . 1 124 300 . . 19470860 . 7.213549152 . 125.5271425 . 62.08448515 . A 20 LEU H A 20 LEU N A 19 THR CA 1 . . . 1 125 302 . . 25894924 . 6.896132337 . 103.9742561 . 55.17523171 . A 57 THR H A 57 THR N A 56 ALA CA 1 . . . 1 126 303 . . 2153600.25 . 8.219248602 . 122.9163395 . 56.62586144 . A 143 ARG H A 143 ARG N A 142 LYS CA 1 . . . 1 127 305 . . 2294143.5 . 8.0620421 . 115.1650805 . 53.64996663 . A 91 SER H A 91 SER N A 90 ALA CA 1 . . . 1 128 306 . . 114527.0951 . 8.0620421 . 115.1650805 . 63.60109932 . A 91 SER H A 91 SER N A 91 SER CB 1 . . . 1 129 307 . . -214941.8689 . 7.994968389 . 120.605 . 56.44557474 . A 98 LYS H A 98 LYS N A 98 LYS CA 1 . . . 1 130 308 . . 27301644.82 . 7.995465311 . 120.605 . 52.76843555 . A 98 LYS H A 98 LYS N A 97 ALA CA 1 . . . 1 131 309 . . -45769219.11 . 7.992588481 . 120.605 . 32.98019399 . A 98 LYS H A 98 LYS N A 98 LYS CB 1 . . . 1 133 314 . . 18491639.23 . 8.116791148 . 124.3588873 . 55.86904733 . A 90 ALA H A 90 ALA N A 89 LEU CA 1 . . . 1 134 315 . . -290465.1117 . 8.116791148 . 124.3588873 . 53.64996663 . A 90 ALA H A 90 ALA N A 90 ALA CA 1 . . . 1 135 316 . . -42740.2141 . 8.116791148 . 124.3588873 . 42.22182245 . A 90 ALA H A 90 ALA N A 89 LEU CB 1 . . . 1 136 317 . . 39809549.18 . 8.116791148 . 124.3588873 . 18.84165115 . A 90 ALA H A 90 ALA N A 90 ALA CB 1 . . . 1 137 318 . . 7770486.5 . 8.396052886 . 125.5285743 . 61.1297185 . A 115 GLN H A 115 GLN N A 114 ILE CA 1 . . . 1 138 319 . . 28358412 . 8.037627176 . 125.1042978 . 62.27772793 . A 123 LEU H A 123 LEU N A 122 THR CA 1 . . . 1 139 322 . . 38267952 . 7.916025846 . 121.0581492 . 54.54815511 . A 32 ALA H A 32 ALA N A 31 ALA CA 1 . . . 1 140 325 . . 19545210 . 7.25611136 . 111.7437528 . 57.30896465 . A 59 THR H A 59 THR N A 58 LYS CA 1 . . . 1 141 326 . . 4341548.5 . 10.29160434 . 131.5526611 . 62.3766713 . A 60 PHE H A 60 PHE N A 59 THR CA 1 . . . 1 142 328 . . 830974.4387 . 8.016375311 . 117.6685744 . 57.95821255 . A 146 SER H A 146 SER N A 145 TYR CA 1 . . . 1 143 329 . . -96739.94501 . 8.995124364 . 123.1707331 . 43.45532177 . A 12 LYS H A 12 LYS N A 11 TYR CB 1 . . . 1 ; 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 . aliased 4.69557 ppm . . . . . . 51093 7 2 . . N 15 N . aliased 30.37771 ppm . . . . . . 51093 7 3 . . C 13 CA . aliased 30.0158 ppm . . . . . . 51093 7 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 51093 7 stop_ save_