data_51326 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51326 _Entry.Title ; PBRM1 Bromodomain 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-02-13 _Entry.Accession_date 2022-02-13 _Entry.Last_release_date 2022-02-14 _Entry.Original_release_date 2022-02-14 _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 Saumya 'De Silva' . M. . . 51326 2 Surbhi Sood . . . . 51326 3 Alisha Dhiman . . . . 51326 4 Kilsia Mercedes . F. . . 51326 5 Morkos Henen . A. . . 51326 6 Beat Vogeli . . . . 51326 7 Emily Dykhuizen . C. . . 51326 8 Catherine Musselman . A. . . 51326 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51326 spectral_peak_list 5 51326 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 332 51326 '15N chemical shifts' 100 51326 '1H chemical shifts' 100 51326 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 . . 2023-07-04 . original BMRB . 51326 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51329 'PBRM1 Bromodomain 4' 51326 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51326 _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 ; PBRM1 BD2 and BD4 associate with RNA to facilitate chromatin association ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _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 Saumya 'De Silva' . M. . . 51326 1 2 Surbhi Sood . . . . 51326 1 3 Alisha Dhiman . . . . 51326 1 4 Kilsia Mercedes . F. . . 51326 1 5 Morkos Henen . A. . . 51326 1 6 Beat Vogeli . . . . 51326 1 7 Emily Dykhuizen . C. . . 51326 1 8 Catherine Musselman . A. . . 51326 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51326 _Assembly.ID 1 _Assembly.Name 'PBRM1 Bromodomain 2' _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 . _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 'PBRM1 Bromodomain 2' 1 $entity_1 . . yes native no no . . . 51326 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51326 _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 ; SMSPAYLKEILEQLLEAIVV ATNPSGRLISELFQKLPSKV QYPDYYAIIKEPIDLKTIAQ RIQNGSYKSIHAMAKDIDLL AKNAKTYNEPGSQVFKDANS IKKIFYMKKAEIEHHE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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_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 1 176 SER . 51326 1 2 177 MET . 51326 1 3 178 SER . 51326 1 4 179 PRO . 51326 1 5 180 ALA . 51326 1 6 181 TYR . 51326 1 7 182 LEU . 51326 1 8 183 LYS . 51326 1 9 184 GLU . 51326 1 10 185 ILE . 51326 1 11 186 LEU . 51326 1 12 187 GLU . 51326 1 13 188 GLN . 51326 1 14 189 LEU . 51326 1 15 190 LEU . 51326 1 16 191 GLU . 51326 1 17 192 ALA . 51326 1 18 193 ILE . 51326 1 19 194 VAL . 51326 1 20 195 VAL . 51326 1 21 196 ALA . 51326 1 22 197 THR . 51326 1 23 198 ASN . 51326 1 24 199 PRO . 51326 1 25 200 SER . 51326 1 26 201 GLY . 51326 1 27 202 ARG . 51326 1 28 203 LEU . 51326 1 29 204 ILE . 51326 1 30 205 SER . 51326 1 31 206 GLU . 51326 1 32 207 LEU . 51326 1 33 208 PHE . 51326 1 34 209 GLN . 51326 1 35 210 LYS . 51326 1 36 211 LEU . 51326 1 37 212 PRO . 51326 1 38 213 SER . 51326 1 39 214 LYS . 51326 1 40 215 VAL . 51326 1 41 216 GLN . 51326 1 42 217 TYR . 51326 1 43 218 PRO . 51326 1 44 219 ASP . 51326 1 45 220 TYR . 51326 1 46 221 TYR . 51326 1 47 222 ALA . 51326 1 48 223 ILE . 51326 1 49 224 ILE . 51326 1 50 225 LYS . 51326 1 51 226 GLU . 51326 1 52 227 PRO . 51326 1 53 228 ILE . 51326 1 54 229 ASP . 51326 1 55 230 LEU . 51326 1 56 231 LYS . 51326 1 57 232 THR . 51326 1 58 233 ILE . 51326 1 59 234 ALA . 51326 1 60 235 GLN . 51326 1 61 236 ARG . 51326 1 62 237 ILE . 51326 1 63 238 GLN . 51326 1 64 239 ASN . 51326 1 65 240 GLY . 51326 1 66 241 SER . 51326 1 67 242 TYR . 51326 1 68 243 LYS . 51326 1 69 244 SER . 51326 1 70 245 ILE . 51326 1 71 246 HIS . 51326 1 72 247 ALA . 51326 1 73 248 MET . 51326 1 74 249 ALA . 51326 1 75 250 LYS . 51326 1 76 251 ASP . 51326 1 77 252 ILE . 51326 1 78 253 ASP . 51326 1 79 254 LEU . 51326 1 80 255 LEU . 51326 1 81 256 ALA . 51326 1 82 257 LYS . 51326 1 83 258 ASN . 51326 1 84 259 ALA . 51326 1 85 260 LYS . 51326 1 86 261 THR . 51326 1 87 262 TYR . 51326 1 88 263 ASN . 51326 1 89 264 GLU . 51326 1 90 265 PRO . 51326 1 91 266 GLY . 51326 1 92 267 SER . 51326 1 93 268 GLN . 51326 1 94 269 VAL . 51326 1 95 270 PHE . 51326 1 96 271 LYS . 51326 1 97 272 ASP . 51326 1 98 273 ALA . 51326 1 99 274 ASN . 51326 1 100 275 SER . 51326 1 101 276 ILE . 51326 1 102 277 LYS . 51326 1 103 278 LYS . 51326 1 104 279 ILE . 51326 1 105 280 PHE . 51326 1 106 281 TYR . 51326 1 107 282 MET . 51326 1 108 283 LYS . 51326 1 109 284 LYS . 51326 1 110 285 ALA . 51326 1 111 286 GLU . 51326 1 112 287 ILE . 51326 1 113 288 GLU . 51326 1 114 289 HIS . 51326 1 115 290 HIS . 51326 1 116 291 GLU . 51326 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 . SER 1 1 51326 1 . MET 2 2 51326 1 . SER 3 3 51326 1 . PRO 4 4 51326 1 . ALA 5 5 51326 1 . TYR 6 6 51326 1 . LEU 7 7 51326 1 . LYS 8 8 51326 1 . GLU 9 9 51326 1 . ILE 10 10 51326 1 . LEU 11 11 51326 1 . GLU 12 12 51326 1 . GLN 13 13 51326 1 . LEU 14 14 51326 1 . LEU 15 15 51326 1 . GLU 16 16 51326 1 . ALA 17 17 51326 1 . ILE 18 18 51326 1 . VAL 19 19 51326 1 . VAL 20 20 51326 1 . ALA 21 21 51326 1 . THR 22 22 51326 1 . ASN 23 23 51326 1 . PRO 24 24 51326 1 . SER 25 25 51326 1 . GLY 26 26 51326 1 . ARG 27 27 51326 1 . LEU 28 28 51326 1 . ILE 29 29 51326 1 . SER 30 30 51326 1 . GLU 31 31 51326 1 . LEU 32 32 51326 1 . PHE 33 33 51326 1 . GLN 34 34 51326 1 . LYS 35 35 51326 1 . LEU 36 36 51326 1 . PRO 37 37 51326 1 . SER 38 38 51326 1 . LYS 39 39 51326 1 . VAL 40 40 51326 1 . GLN 41 41 51326 1 . TYR 42 42 51326 1 . PRO 43 43 51326 1 . ASP 44 44 51326 1 . TYR 45 45 51326 1 . TYR 46 46 51326 1 . ALA 47 47 51326 1 . ILE 48 48 51326 1 . ILE 49 49 51326 1 . LYS 50 50 51326 1 . GLU 51 51 51326 1 . PRO 52 52 51326 1 . ILE 53 53 51326 1 . ASP 54 54 51326 1 . LEU 55 55 51326 1 . LYS 56 56 51326 1 . THR 57 57 51326 1 . ILE 58 58 51326 1 . ALA 59 59 51326 1 . GLN 60 60 51326 1 . ARG 61 61 51326 1 . ILE 62 62 51326 1 . GLN 63 63 51326 1 . ASN 64 64 51326 1 . GLY 65 65 51326 1 . SER 66 66 51326 1 . TYR 67 67 51326 1 . LYS 68 68 51326 1 . SER 69 69 51326 1 . ILE 70 70 51326 1 . HIS 71 71 51326 1 . ALA 72 72 51326 1 . MET 73 73 51326 1 . ALA 74 74 51326 1 . LYS 75 75 51326 1 . ASP 76 76 51326 1 . ILE 77 77 51326 1 . ASP 78 78 51326 1 . LEU 79 79 51326 1 . LEU 80 80 51326 1 . ALA 81 81 51326 1 . LYS 82 82 51326 1 . ASN 83 83 51326 1 . ALA 84 84 51326 1 . LYS 85 85 51326 1 . THR 86 86 51326 1 . TYR 87 87 51326 1 . ASN 88 88 51326 1 . GLU 89 89 51326 1 . PRO 90 90 51326 1 . GLY 91 91 51326 1 . SER 92 92 51326 1 . GLN 93 93 51326 1 . VAL 94 94 51326 1 . PHE 95 95 51326 1 . LYS 96 96 51326 1 . ASP 97 97 51326 1 . ALA 98 98 51326 1 . ASN 99 99 51326 1 . SER 100 100 51326 1 . ILE 101 101 51326 1 . LYS 102 102 51326 1 . LYS 103 103 51326 1 . ILE 104 104 51326 1 . PHE 105 105 51326 1 . TYR 106 106 51326 1 . MET 107 107 51326 1 . LYS 108 108 51326 1 . LYS 109 109 51326 1 . ALA 110 110 51326 1 . GLU 111 111 51326 1 . ILE 112 112 51326 1 . GLU 113 113 51326 1 . HIS 114 114 51326 1 . HIS 115 115 51326 1 . GLU 116 116 51326 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 51326 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51326 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 51326 _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 . . . plasmid . . pNIC28-Bsa4 . . . 51326 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51326 _Sample.ID 1 _Sample.Name 'PBRM1 Bromodomain 2' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PBRM1 Bromodomain 2' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 51326 1 2 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51326 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51326 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51326 1 5 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 51326 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 51326 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'PBRM1 Bromodomain 2 sample conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 51326 1 pH 7.0 . pH 51326 1 pressure 1 . atm 51326 1 temperature 298 . K 51326 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51326 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.5.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51326 1 'peak picking' . 51326 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51326 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.9 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51326 2 'data analysis' . 51326 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51326 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 51326 3 processing . 51326 3 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 51326 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 51326 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51326 1 2 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51326 1 3 '3D HNCACO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51326 1 4 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51326 1 5 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51326 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 51326 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'PBRM1 Bromodomain 2 Chemical Shifts' _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 na 'methyl carbons' . . . . ppm 0 na direct 1 . . . . . 51326 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 51326 1 N 15 na nitrogen . . . . ppm 0 na direct 1 . . . . . 51326 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 51326 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'PBRM1 Bromodomain 2' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51326 1 2 '3D HNCACB' . . . 51326 1 3 '3D HNCACO' . . . 51326 1 4 '3D HNCO' . . . 51326 1 5 '3D CBCA(CO)NH' . . . 51326 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51326 1 2 $software_2 . . 51326 1 3 $software_3 . . 51326 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 2 2 MET C C 13 175.742 0.000 . . . . . . . 177 M C . 51326 1 2 . 1 . 1 2 2 MET CA C 13 55.516 0.000 . . . . . . . 177 M CA . 51326 1 3 . 1 . 1 2 2 MET CB C 13 34.104 0.027 . . . . . . . 177 M CB . 51326 1 4 . 1 . 1 3 3 SER H H 1 8.740 0.002 . . . . . . . 178 S HN . 51326 1 5 . 1 . 1 3 3 SER C C 13 173.351 0.000 . . . . . . . 178 S C . 51326 1 6 . 1 . 1 3 3 SER CA C 13 56.564 0.000 . . . . . . . 178 S CA . 51326 1 7 . 1 . 1 3 3 SER CB C 13 63.108 0.000 . . . . . . . 178 S CB . 51326 1 8 . 1 . 1 3 3 SER N N 15 121.347 0.013 . . . . . . . 178 S N . 51326 1 9 . 1 . 1 4 4 PRO C C 13 177.404 0.000 . . . . . . . 179 P C . 51326 1 10 . 1 . 1 4 4 PRO CA C 13 58.751 0.039 . . . . . . . 179 P CA . 51326 1 11 . 1 . 1 4 4 PRO CB C 13 31.523 0.043 . . . . . . . 179 P CB . 51326 1 12 . 1 . 1 5 5 ALA H H 1 8.261 0.001 . . . . . . . 180 A HN . 51326 1 13 . 1 . 1 5 5 ALA C C 13 177.892 0.000 . . . . . . . 180 A C . 51326 1 14 . 1 . 1 5 5 ALA CA C 13 55.167 0.068 . . . . . . . 180 A CA . 51326 1 15 . 1 . 1 5 5 ALA CB C 13 17.906 0.000 . . . . . . . 180 A CB . 51326 1 16 . 1 . 1 5 5 ALA N N 15 122.110 0.021 . . . . . . . 180 A N . 51326 1 17 . 1 . 1 6 6 TYR H H 1 7.458 0.001 . . . . . . . 181 Y HN . 51326 1 18 . 1 . 1 6 6 TYR C C 13 178.750 0.000 . . . . . . . 181 Y C . 51326 1 19 . 1 . 1 6 6 TYR CA C 13 55.827 0.000 . . . . . . . 181 Y CA . 51326 1 20 . 1 . 1 6 6 TYR CB C 13 38.270 0.000 . . . . . . . 181 Y CB . 51326 1 21 . 1 . 1 6 6 TYR N N 15 114.692 0.028 . . . . . . . 181 Y N . 51326 1 22 . 1 . 1 7 7 LEU C C 13 177.762 0.015 . . . . . . . 182 L C . 51326 1 23 . 1 . 1 7 7 LEU CA C 13 57.845 0.052 . . . . . . . 182 L CA . 51326 1 24 . 1 . 1 7 7 LEU CB C 13 41.317 0.040 . . . . . . . 182 L CB . 51326 1 25 . 1 . 1 8 8 LYS H H 1 7.889 0.002 . . . . . . . 183 K HN . 51326 1 26 . 1 . 1 8 8 LYS C C 13 177.350 0.005 . . . . . . . 183 K C . 51326 1 27 . 1 . 1 8 8 LYS CA C 13 60.690 0.063 . . . . . . . 183 K CA . 51326 1 28 . 1 . 1 8 8 LYS CB C 13 32.553 0.026 . . . . . . . 183 K CB . 51326 1 29 . 1 . 1 8 8 LYS N N 15 117.651 0.019 . . . . . . . 183 K N . 51326 1 30 . 1 . 1 9 9 GLU H H 1 7.363 0.001 . . . . . . . 184 E HN . 51326 1 31 . 1 . 1 9 9 GLU C C 13 179.701 0.001 . . . . . . . 184 E C . 51326 1 32 . 1 . 1 9 9 GLU CA C 13 59.459 0.057 . . . . . . . 184 E CA . 51326 1 33 . 1 . 1 9 9 GLU CB C 13 29.497 0.012 . . . . . . . 184 E CB . 51326 1 34 . 1 . 1 9 9 GLU N N 15 116.306 0.008 . . . . . . . 184 E N . 51326 1 35 . 1 . 1 10 10 ILE H H 1 7.745 0.002 . . . . . . . 185 I HN . 51326 1 36 . 1 . 1 10 10 ILE C C 13 178.173 0.001 . . . . . . . 185 I C . 51326 1 37 . 1 . 1 10 10 ILE CA C 13 64.358 0.064 . . . . . . . 185 I CA . 51326 1 38 . 1 . 1 10 10 ILE CB C 13 37.235 0.017 . . . . . . . 185 I CB . 51326 1 39 . 1 . 1 10 10 ILE N N 15 120.061 0.013 . . . . . . . 185 I N . 51326 1 40 . 1 . 1 11 11 LEU H H 1 8.722 0.001 . . . . . . . 186 L HN . 51326 1 41 . 1 . 1 11 11 LEU C C 13 179.879 0.013 . . . . . . . 186 L C . 51326 1 42 . 1 . 1 11 11 LEU CA C 13 58.610 0.076 . . . . . . . 186 L CA . 51326 1 43 . 1 . 1 11 11 LEU CB C 13 40.892 0.018 . . . . . . . 186 L CB . 51326 1 44 . 1 . 1 11 11 LEU N N 15 119.783 0.004 . . . . . . . 186 L N . 51326 1 45 . 1 . 1 12 12 GLU H H 1 8.656 0.001 . . . . . . . 187 E HN . 51326 1 46 . 1 . 1 12 12 GLU C C 13 180.208 0.003 . . . . . . . 187 E C . 51326 1 47 . 1 . 1 12 12 GLU CA C 13 60.316 0.069 . . . . . . . 187 E CA . 51326 1 48 . 1 . 1 12 12 GLU CB C 13 29.441 0.063 . . . . . . . 187 E CB . 51326 1 49 . 1 . 1 12 12 GLU N N 15 116.892 0.011 . . . . . . . 187 E N . 51326 1 50 . 1 . 1 13 13 GLN H H 1 7.921 0.001 . . . . . . . 188 Q HN . 51326 1 51 . 1 . 1 13 13 GLN C C 13 179.743 0.003 . . . . . . . 188 Q C . 51326 1 52 . 1 . 1 13 13 GLN CA C 13 59.206 0.015 . . . . . . . 188 Q CA . 51326 1 53 . 1 . 1 13 13 GLN CB C 13 29.020 0.019 . . . . . . . 188 Q CB . 51326 1 54 . 1 . 1 13 13 GLN N N 15 120.489 0.028 . . . . . . . 188 Q N . 51326 1 55 . 1 . 1 14 14 LEU H H 1 8.110 0.001 . . . . . . . 189 L HN . 51326 1 56 . 1 . 1 14 14 LEU C C 13 177.569 0.008 . . . . . . . 189 L C . 51326 1 57 . 1 . 1 14 14 LEU CA C 13 58.580 0.100 . . . . . . . 189 L CA . 51326 1 58 . 1 . 1 14 14 LEU CB C 13 41.235 0.049 . . . . . . . 189 L CB . 51326 1 59 . 1 . 1 14 14 LEU N N 15 122.288 0.006 . . . . . . . 189 L N . 51326 1 60 . 1 . 1 15 15 LEU H H 1 8.133 0.002 . . . . . . . 190 L HN . 51326 1 61 . 1 . 1 15 15 LEU C C 13 178.452 0.015 . . . . . . . 190 L C . 51326 1 62 . 1 . 1 15 15 LEU CA C 13 57.550 0.100 . . . . . . . 190 L CA . 51326 1 63 . 1 . 1 15 15 LEU CB C 13 41.607 0.042 . . . . . . . 190 L CB . 51326 1 64 . 1 . 1 15 15 LEU N N 15 117.440 0.008 . . . . . . . 190 L N . 51326 1 65 . 1 . 1 16 16 GLU H H 1 8.448 0.001 . . . . . . . 191 E HN . 51326 1 66 . 1 . 1 16 16 GLU C C 13 177.041 0.011 . . . . . . . 191 E C . 51326 1 67 . 1 . 1 16 16 GLU CA C 13 59.225 0.042 . . . . . . . 191 E CA . 51326 1 68 . 1 . 1 16 16 GLU CB C 13 29.448 0.008 . . . . . . . 191 E CB . 51326 1 69 . 1 . 1 16 16 GLU N N 15 119.347 0.023 . . . . . . . 191 E N . 51326 1 70 . 1 . 1 17 17 ALA H H 1 7.386 0.001 . . . . . . . 192 A HN . 51326 1 71 . 1 . 1 17 17 ALA C C 13 179.838 0.004 . . . . . . . 192 A C . 51326 1 72 . 1 . 1 17 17 ALA CA C 13 54.736 0.079 . . . . . . . 192 A CA . 51326 1 73 . 1 . 1 17 17 ALA CB C 13 17.610 0.028 . . . . . . . 192 A CB . 51326 1 74 . 1 . 1 17 17 ALA N N 15 116.502 0.013 . . . . . . . 192 A N . 51326 1 75 . 1 . 1 18 18 ILE H H 1 7.212 0.001 . . . . . . . 193 I HN . 51326 1 76 . 1 . 1 18 18 ILE C C 13 178.130 0.004 . . . . . . . 193 I C . 51326 1 77 . 1 . 1 18 18 ILE CA C 13 65.047 0.075 . . . . . . . 193 I CA . 51326 1 78 . 1 . 1 18 18 ILE CB C 13 38.703 0.044 . . . . . . . 193 I CB . 51326 1 79 . 1 . 1 18 18 ILE N N 15 113.132 0.034 . . . . . . . 193 I N . 51326 1 80 . 1 . 1 19 19 VAL H H 1 8.234 0.001 . . . . . . . 194 V HN . 51326 1 81 . 1 . 1 19 19 VAL C C 13 176.865 0.004 . . . . . . . 194 V C . 51326 1 82 . 1 . 1 19 19 VAL CA C 13 65.332 0.070 . . . . . . . 194 V CA . 51326 1 83 . 1 . 1 19 19 VAL CB C 13 31.812 0.051 . . . . . . . 194 V CB . 51326 1 84 . 1 . 1 19 19 VAL N N 15 115.938 0.009 . . . . . . . 194 V N . 51326 1 85 . 1 . 1 20 20 VAL H H 1 7.739 0.001 . . . . . . . 195 V HN . 51326 1 86 . 1 . 1 20 20 VAL C C 13 177.161 0.008 . . . . . . . 195 V C . 51326 1 87 . 1 . 1 20 20 VAL CA C 13 61.005 0.044 . . . . . . . 195 V CA . 51326 1 88 . 1 . 1 20 20 VAL CB C 13 32.205 0.056 . . . . . . . 195 V CB . 51326 1 89 . 1 . 1 20 20 VAL N N 15 110.299 0.012 . . . . . . . 195 V N . 51326 1 90 . 1 . 1 21 21 ALA H H 1 6.733 0.004 . . . . . . . 196 A HN . 51326 1 91 . 1 . 1 21 21 ALA C C 13 178.194 0.008 . . . . . . . 196 A C . 51326 1 92 . 1 . 1 21 21 ALA CA C 13 53.383 0.042 . . . . . . . 196 A CA . 51326 1 93 . 1 . 1 21 21 ALA CB C 13 19.834 0.057 . . . . . . . 196 A CB . 51326 1 94 . 1 . 1 21 21 ALA N N 15 124.195 0.049 . . . . . . . 196 A N . 51326 1 95 . 1 . 1 22 22 THR H H 1 8.557 0.005 . . . . . . . 197 T HN . 51326 1 96 . 1 . 1 22 22 THR C C 13 175.018 0.008 . . . . . . . 197 T C . 51326 1 97 . 1 . 1 22 22 THR CA C 13 59.237 0.027 . . . . . . . 197 T CA . 51326 1 98 . 1 . 1 22 22 THR CB C 13 72.326 0.001 . . . . . . . 197 T CB . 51326 1 99 . 1 . 1 22 22 THR N N 15 112.591 0.010 . . . . . . . 197 T N . 51326 1 100 . 1 . 1 23 23 ASN H H 1 8.523 0.002 . . . . . . . 198 N HN . 51326 1 101 . 1 . 1 23 23 ASN C C 13 176.415 0.000 . . . . . . . 198 N C . 51326 1 102 . 1 . 1 23 23 ASN CA C 13 51.360 0.000 . . . . . . . 198 N CA . 51326 1 103 . 1 . 1 23 23 ASN CB C 13 38.456 0.000 . . . . . . . 198 N CB . 51326 1 104 . 1 . 1 23 23 ASN N N 15 120.659 0.082 . . . . . . . 198 N N . 51326 1 105 . 1 . 1 24 24 PRO C C 13 177.276 0.000 . . . . . . . 199 P C . 51326 1 106 . 1 . 1 24 24 PRO CA C 13 65.793 0.026 . . . . . . . 199 P CA . 51326 1 107 . 1 . 1 24 24 PRO CB C 13 31.613 0.068 . . . . . . . 199 P CB . 51326 1 108 . 1 . 1 25 25 SER H H 1 7.645 0.002 . . . . . . . 200 S HN . 51326 1 109 . 1 . 1 25 25 SER C C 13 174.896 0.003 . . . . . . . 200 S C . 51326 1 110 . 1 . 1 25 25 SER CA C 13 58.866 0.030 . . . . . . . 200 S CA . 51326 1 111 . 1 . 1 25 25 SER CB C 13 63.730 0.075 . . . . . . . 200 S CB . 51326 1 112 . 1 . 1 25 25 SER N N 15 110.523 0.015 . . . . . . . 200 S N . 51326 1 113 . 1 . 1 26 26 GLY H H 1 8.512 0.002 . . . . . . . 201 G HN . 51326 1 114 . 1 . 1 26 26 GLY C C 13 173.603 0.001 . . . . . . . 201 G C . 51326 1 115 . 1 . 1 26 26 GLY CA C 13 44.933 0.064 . . . . . . . 201 G CA . 51326 1 116 . 1 . 1 26 26 GLY N N 15 109.984 0.002 . . . . . . . 201 G N . 51326 1 117 . 1 . 1 27 27 ARG H H 1 7.581 0.001 . . . . . . . 202 R HN . 51326 1 118 . 1 . 1 27 27 ARG C C 13 175.788 0.006 . . . . . . . 202 R C . 51326 1 119 . 1 . 1 27 27 ARG CA C 13 55.363 0.102 . . . . . . . 202 R CA . 51326 1 120 . 1 . 1 27 27 ARG CB C 13 31.372 0.008 . . . . . . . 202 R CB . 51326 1 121 . 1 . 1 27 27 ARG N N 15 120.752 0.008 . . . . . . . 202 R N . 51326 1 122 . 1 . 1 28 28 LEU H H 1 8.814 0.001 . . . . . . . 203 L HN . 51326 1 123 . 1 . 1 28 28 LEU C C 13 178.887 0.003 . . . . . . . 203 L C . 51326 1 124 . 1 . 1 28 28 LEU CA C 13 55.050 0.050 . . . . . . . 203 L CA . 51326 1 125 . 1 . 1 28 28 LEU CB C 13 41.877 0.028 . . . . . . . 203 L CB . 51326 1 126 . 1 . 1 28 28 LEU N N 15 124.410 0.018 . . . . . . . 203 L N . 51326 1 127 . 1 . 1 29 29 ILE H H 1 7.855 0.001 . . . . . . . 204 I HN . 51326 1 128 . 1 . 1 29 29 ILE C C 13 177.077 0.016 . . . . . . . 204 I C . 51326 1 129 . 1 . 1 29 29 ILE CA C 13 64.728 0.066 . . . . . . . 204 I CA . 51326 1 130 . 1 . 1 29 29 ILE CB C 13 37.828 0.068 . . . . . . . 204 I CB . 51326 1 131 . 1 . 1 29 29 ILE N N 15 123.621 0.023 . . . . . . . 204 I N . 51326 1 132 . 1 . 1 30 30 SER H H 1 9.148 0.004 . . . . . . . 205 S HN . 51326 1 133 . 1 . 1 30 30 SER C C 13 176.524 0.001 . . . . . . . 205 S C . 51326 1 134 . 1 . 1 30 30 SER CA C 13 59.548 0.078 . . . . . . . 205 S CA . 51326 1 135 . 1 . 1 30 30 SER CB C 13 64.294 0.023 . . . . . . . 205 S CB . 51326 1 136 . 1 . 1 30 30 SER N N 15 111.877 0.036 . . . . . . . 205 S N . 51326 1 137 . 1 . 1 31 31 GLU H H 1 7.321 0.001 . . . . . . . 206 E HN . 51326 1 138 . 1 . 1 31 31 GLU C C 13 178.841 0.006 . . . . . . . 206 E C . 51326 1 139 . 1 . 1 31 31 GLU CA C 13 60.829 0.054 . . . . . . . 206 E CA . 51326 1 140 . 1 . 1 31 31 GLU CB C 13 30.397 0.011 . . . . . . . 206 E CB . 51326 1 141 . 1 . 1 31 31 GLU N N 15 123.603 0.020 . . . . . . . 206 E N . 51326 1 142 . 1 . 1 32 32 LEU H H 1 9.075 0.002 . . . . . . . 207 L HN . 51326 1 143 . 1 . 1 32 32 LEU C C 13 176.620 0.001 . . . . . . . 207 L C . 51326 1 144 . 1 . 1 32 32 LEU CA C 13 55.695 0.050 . . . . . . . 207 L CA . 51326 1 145 . 1 . 1 32 32 LEU CB C 13 39.817 0.050 . . . . . . . 207 L CB . 51326 1 146 . 1 . 1 32 32 LEU N N 15 116.511 0.015 . . . . . . . 207 L N . 51326 1 147 . 1 . 1 33 33 PHE H H 1 7.901 0.003 . . . . . . . 208 F HN . 51326 1 148 . 1 . 1 33 33 PHE C C 13 175.051 0.006 . . . . . . . 208 F C . 51326 1 149 . 1 . 1 33 33 PHE CA C 13 57.264 0.020 . . . . . . . 208 F CA . 51326 1 150 . 1 . 1 33 33 PHE CB C 13 39.992 0.039 . . . . . . . 208 F CB . 51326 1 151 . 1 . 1 33 33 PHE N N 15 115.971 0.012 . . . . . . . 208 F N . 51326 1 152 . 1 . 1 34 34 GLN H H 1 7.321 0.001 . . . . . . . 209 Q HN . 51326 1 153 . 1 . 1 34 34 GLN CA C 13 59.554 0.054 . . . . . . . 209 Q CA . 51326 1 154 . 1 . 1 34 34 GLN CB C 13 28.723 0.003 . . . . . . . 209 Q CB . 51326 1 155 . 1 . 1 34 34 GLN N N 15 120.398 0.011 . . . . . . . 209 Q N . 51326 1 156 . 1 . 1 35 35 LYS H H 1 7.825 0.002 . . . . . . . 210 K HN . 51326 1 157 . 1 . 1 35 35 LYS C C 13 176.451 0.000 . . . . . . . 210 K C . 51326 1 158 . 1 . 1 35 35 LYS CA C 13 53.686 0.000 . . . . . . . 210 K CA . 51326 1 159 . 1 . 1 35 35 LYS CB C 13 36.057 0.000 . . . . . . . 210 K CB . 51326 1 160 . 1 . 1 35 35 LYS N N 15 114.394 0.041 . . . . . . . 210 K N . 51326 1 161 . 1 . 1 37 37 PRO C C 13 176.804 0.000 . . . . . . . 212 P C . 51326 1 162 . 1 . 1 37 37 PRO CA C 13 61.869 0.063 . . . . . . . 212 P CA . 51326 1 163 . 1 . 1 37 37 PRO CB C 13 32.345 0.070 . . . . . . . 212 P CB . 51326 1 164 . 1 . 1 38 38 SER H H 1 8.967 0.003 . . . . . . . 213 S HN . 51326 1 165 . 1 . 1 38 38 SER C C 13 176.334 0.020 . . . . . . . 213 S C . 51326 1 166 . 1 . 1 38 38 SER CA C 13 57.986 0.071 . . . . . . . 213 S CA . 51326 1 167 . 1 . 1 38 38 SER CB C 13 63.743 0.069 . . . . . . . 213 S CB . 51326 1 168 . 1 . 1 38 38 SER N N 15 117.327 0.003 . . . . . . . 213 S N . 51326 1 169 . 1 . 1 39 39 LYS H H 1 8.948 0.002 . . . . . . . 214 K HN . 51326 1 170 . 1 . 1 39 39 LYS C C 13 177.313 0.013 . . . . . . . 214 K C . 51326 1 171 . 1 . 1 39 39 LYS CA C 13 59.028 0.044 . . . . . . . 214 K CA . 51326 1 172 . 1 . 1 39 39 LYS CB C 13 32.557 0.060 . . . . . . . 214 K CB . 51326 1 173 . 1 . 1 39 39 LYS N N 15 129.249 0.050 . . . . . . . 214 K N . 51326 1 174 . 1 . 1 40 40 VAL H H 1 7.585 0.002 . . . . . . . 215 V HN . 51326 1 175 . 1 . 1 40 40 VAL C C 13 176.092 0.000 . . . . . . . 215 V C . 51326 1 176 . 1 . 1 40 40 VAL CA C 13 64.466 0.042 . . . . . . . 215 V CA . 51326 1 177 . 1 . 1 40 40 VAL CB C 13 32.337 0.112 . . . . . . . 215 V CB . 51326 1 178 . 1 . 1 40 40 VAL N N 15 115.757 0.005 . . . . . . . 215 V N . 51326 1 179 . 1 . 1 41 41 GLN H H 1 7.134 0.003 . . . . . . . 216 Q HN . 51326 1 180 . 1 . 1 41 41 GLN C C 13 175.609 0.003 . . . . . . . 216 Q C . 51326 1 181 . 1 . 1 41 41 GLN CA C 13 57.143 0.029 . . . . . . . 216 Q CA . 51326 1 182 . 1 . 1 41 41 GLN CB C 13 30.439 0.008 . . . . . . . 216 Q CB . 51326 1 183 . 1 . 1 41 41 GLN N N 15 117.289 0.015 . . . . . . . 216 Q N . 51326 1 184 . 1 . 1 42 42 TYR H H 1 7.953 0.001 . . . . . . . 217 Y HN . 51326 1 185 . 1 . 1 42 42 TYR C C 13 173.350 0.000 . . . . . . . 217 Y C . 51326 1 186 . 1 . 1 42 42 TYR CA C 13 55.609 0.000 . . . . . . . 217 Y CA . 51326 1 187 . 1 . 1 42 42 TYR CB C 13 37.960 0.000 . . . . . . . 217 Y CB . 51326 1 188 . 1 . 1 42 42 TYR N N 15 115.235 0.032 . . . . . . . 217 Y N . 51326 1 189 . 1 . 1 43 43 PRO C C 13 179.801 0.006 . . . . . . . 218 P C . 51326 1 190 . 1 . 1 43 43 PRO CA C 13 65.703 0.069 . . . . . . . 218 P CA . 51326 1 191 . 1 . 1 43 43 PRO CB C 13 31.029 0.005 . . . . . . . 218 P CB . 51326 1 192 . 1 . 1 44 44 ASP H H 1 9.030 0.003 . . . . . . . 219 D HN . 51326 1 193 . 1 . 1 44 44 ASP C C 13 178.065 0.004 . . . . . . . 219 D C . 51326 1 194 . 1 . 1 44 44 ASP CA C 13 55.982 0.064 . . . . . . . 219 D CA . 51326 1 195 . 1 . 1 44 44 ASP CB C 13 39.742 0.030 . . . . . . . 219 D CB . 51326 1 196 . 1 . 1 44 44 ASP N N 15 117.106 0.023 . . . . . . . 219 D N . 51326 1 197 . 1 . 1 45 45 TYR H H 1 7.649 0.001 . . . . . . . 220 Y HN . 51326 1 198 . 1 . 1 45 45 TYR C C 13 175.837 0.013 . . . . . . . 220 Y C . 51326 1 199 . 1 . 1 45 45 TYR CA C 13 62.068 0.055 . . . . . . . 220 Y CA . 51326 1 200 . 1 . 1 45 45 TYR CB C 13 38.412 0.042 . . . . . . . 220 Y CB . 51326 1 201 . 1 . 1 45 45 TYR N N 15 121.831 0.009 . . . . . . . 220 Y N . 51326 1 202 . 1 . 1 46 46 TYR H H 1 6.901 0.003 . . . . . . . 221 Y HN . 51326 1 203 . 1 . 1 46 46 TYR CA C 13 60.344 0.079 . . . . . . . 221 Y CA . 51326 1 204 . 1 . 1 46 46 TYR CB C 13 38.093 0.046 . . . . . . . 221 Y CB . 51326 1 205 . 1 . 1 46 46 TYR N N 15 113.911 0.024 . . . . . . . 221 Y N . 51326 1 206 . 1 . 1 47 47 ALA H H 1 7.515 0.001 . . . . . . . 222 A HN . 51326 1 207 . 1 . 1 47 47 ALA C C 13 178.333 0.001 . . . . . . . 222 A C . 51326 1 208 . 1 . 1 47 47 ALA CA C 13 53.559 0.001 . . . . . . . 222 A CA . 51326 1 209 . 1 . 1 47 47 ALA CB C 13 18.794 0.009 . . . . . . . 222 A CB . 51326 1 210 . 1 . 1 47 47 ALA N N 15 121.079 0.008 . . . . . . . 222 A N . 51326 1 211 . 1 . 1 48 48 ILE H H 1 7.080 0.001 . . . . . . . 223 I HN . 51326 1 212 . 1 . 1 48 48 ILE C C 13 175.340 0.000 . . . . . . . 223 I C . 51326 1 213 . 1 . 1 48 48 ILE CA C 13 62.235 0.000 . . . . . . . 223 I CA . 51326 1 214 . 1 . 1 48 48 ILE CB C 13 40.397 0.000 . . . . . . . 223 I CB . 51326 1 215 . 1 . 1 48 48 ILE N N 15 115.740 0.014 . . . . . . . 223 I N . 51326 1 216 . 1 . 1 49 49 ILE C C 13 174.226 0.009 . . . . . . . 224 I C . 51326 1 217 . 1 . 1 49 49 ILE CA C 13 57.400 0.065 . . . . . . . 224 I CA . 51326 1 218 . 1 . 1 49 49 ILE CB C 13 33.661 0.047 . . . . . . . 224 I CB . 51326 1 219 . 1 . 1 50 50 LYS H H 1 7.870 0.002 . . . . . . . 225 K HN . 51326 1 220 . 1 . 1 50 50 LYS C C 13 177.279 0.014 . . . . . . . 225 K C . 51326 1 221 . 1 . 1 50 50 LYS CA C 13 57.283 0.004 . . . . . . . 225 K CA . 51326 1 222 . 1 . 1 50 50 LYS CB C 13 32.607 0.002 . . . . . . . 225 K CB . 51326 1 223 . 1 . 1 50 50 LYS N N 15 125.367 0.021 . . . . . . . 225 K N . 51326 1 224 . 1 . 1 51 51 GLU H H 1 8.416 0.002 . . . . . . . 226 E HN . 51326 1 225 . 1 . 1 51 51 GLU C C 13 171.454 0.000 . . . . . . . 226 E C . 51326 1 226 . 1 . 1 51 51 GLU CA C 13 53.219 0.000 . . . . . . . 226 E CA . 51326 1 227 . 1 . 1 51 51 GLU CB C 13 30.818 0.000 . . . . . . . 226 E CB . 51326 1 228 . 1 . 1 51 51 GLU N N 15 119.263 0.006 . . . . . . . 226 E N . 51326 1 229 . 1 . 1 52 52 PRO C C 13 175.773 0.012 . . . . . . . 227 P C . 51326 1 230 . 1 . 1 52 52 PRO CA C 13 62.665 0.033 . . . . . . . 227 P CA . 51326 1 231 . 1 . 1 52 52 PRO CB C 13 33.464 0.013 . . . . . . . 227 P CB . 51326 1 232 . 1 . 1 53 53 ILE H H 1 8.940 0.003 . . . . . . . 228 I HN . 51326 1 233 . 1 . 1 53 53 ILE C C 13 170.406 0.001 . . . . . . . 228 I C . 51326 1 234 . 1 . 1 53 53 ILE CA C 13 61.652 0.004 . . . . . . . 228 I CA . 51326 1 235 . 1 . 1 53 53 ILE CB C 13 41.322 0.068 . . . . . . . 228 I CB . 51326 1 236 . 1 . 1 53 53 ILE N N 15 121.144 0.026 . . . . . . . 228 I N . 51326 1 237 . 1 . 1 54 54 ASP H H 1 6.967 0.002 . . . . . . . 229 D HN . 51326 1 238 . 1 . 1 54 54 ASP C C 13 175.725 0.009 . . . . . . . 229 D C . 51326 1 239 . 1 . 1 54 54 ASP CA C 13 52.206 0.081 . . . . . . . 229 D CA . 51326 1 240 . 1 . 1 54 54 ASP CB C 13 42.817 0.001 . . . . . . . 229 D CB . 51326 1 241 . 1 . 1 54 54 ASP N N 15 121.851 0.010 . . . . . . . 229 D N . 51326 1 242 . 1 . 1 55 55 LEU H H 1 8.919 0.003 . . . . . . . 230 L HN . 51326 1 243 . 1 . 1 55 55 LEU C C 13 179.422 0.005 . . . . . . . 230 L C . 51326 1 244 . 1 . 1 55 55 LEU CA C 13 57.535 0.066 . . . . . . . 230 L CA . 51326 1 245 . 1 . 1 55 55 LEU CB C 13 41.675 0.022 . . . . . . . 230 L CB . 51326 1 246 . 1 . 1 55 55 LEU N N 15 116.051 0.039 . . . . . . . 230 L N . 51326 1 247 . 1 . 1 56 56 LYS H H 1 8.247 0.001 . . . . . . . 231 K HN . 51326 1 248 . 1 . 1 56 56 LYS C C 13 179.420 0.007 . . . . . . . 231 K C . 51326 1 249 . 1 . 1 56 56 LYS CA C 13 59.910 0.084 . . . . . . . 231 K CA . 51326 1 250 . 1 . 1 56 56 LYS CB C 13 31.560 0.013 . . . . . . . 231 K CB . 51326 1 251 . 1 . 1 56 56 LYS N N 15 122.717 0.029 . . . . . . . 231 K N . 51326 1 252 . 1 . 1 57 57 THR H H 1 8.707 0.001 . . . . . . . 232 T HN . 51326 1 253 . 1 . 1 57 57 THR C C 13 176.187 0.009 . . . . . . . 232 T C . 51326 1 254 . 1 . 1 57 57 THR CA C 13 67.221 0.048 . . . . . . . 232 T CA . 51326 1 255 . 1 . 1 57 57 THR CB C 13 68.348 0.022 . . . . . . . 232 T CB . 51326 1 256 . 1 . 1 57 57 THR N N 15 119.091 0.028 . . . . . . . 232 T N . 51326 1 257 . 1 . 1 58 58 ILE H H 1 7.463 0.002 . . . . . . . 233 I HN . 51326 1 258 . 1 . 1 58 58 ILE C C 13 177.327 0.018 . . . . . . . 233 I C . 51326 1 259 . 1 . 1 58 58 ILE CA C 13 65.686 0.087 . . . . . . . 233 I CA . 51326 1 260 . 1 . 1 58 58 ILE CB C 13 38.756 0.015 . . . . . . . 233 I CB . 51326 1 261 . 1 . 1 58 58 ILE N N 15 123.141 0.011 . . . . . . . 233 I N . 51326 1 262 . 1 . 1 59 59 ALA H H 1 8.515 0.003 . . . . . . . 234 A HN . 51326 1 263 . 1 . 1 59 59 ALA C C 13 180.628 0.003 . . . . . . . 234 A C . 51326 1 264 . 1 . 1 59 59 ALA CA C 13 55.766 0.000 . . . . . . . 234 A CA . 51326 1 265 . 1 . 1 59 59 ALA CB C 13 18.386 0.004 . . . . . . . 234 A CB . 51326 1 266 . 1 . 1 59 59 ALA N N 15 120.747 0.061 . . . . . . . 234 A N . 51326 1 267 . 1 . 1 60 60 GLN H H 1 8.053 0.002 . . . . . . . 235 Q HN . 51326 1 268 . 1 . 1 60 60 GLN C C 13 176.231 0.000 . . . . . . . 235 Q C . 51326 1 269 . 1 . 1 60 60 GLN CA C 13 58.249 0.000 . . . . . . . 235 Q CA . 51326 1 270 . 1 . 1 60 60 GLN CB C 13 31.750 0.000 . . . . . . . 235 Q CB . 51326 1 271 . 1 . 1 60 60 GLN N N 15 117.061 0.017 . . . . . . . 235 Q N . 51326 1 272 . 1 . 1 61 61 ARG H H 1 8.115 0.002 . . . . . . . 236 R HN . 51326 1 273 . 1 . 1 61 61 ARG C C 13 178.680 0.011 . . . . . . . 236 R C . 51326 1 274 . 1 . 1 61 61 ARG CA C 13 59.448 0.048 . . . . . . . 236 R CA . 51326 1 275 . 1 . 1 61 61 ARG CB C 13 29.484 0.027 . . . . . . . 236 R CB . 51326 1 276 . 1 . 1 61 61 ARG N N 15 120.873 0.037 . . . . . . . 236 R N . 51326 1 277 . 1 . 1 62 62 ILE H H 1 7.951 0.001 . . . . . . . 237 I HN . 51326 1 278 . 1 . 1 62 62 ILE C C 13 179.257 0.013 . . . . . . . 237 I C . 51326 1 279 . 1 . 1 62 62 ILE CA C 13 66.001 0.071 . . . . . . . 237 I CA . 51326 1 280 . 1 . 1 62 62 ILE CB C 13 38.918 0.021 . . . . . . . 237 I CB . 51326 1 281 . 1 . 1 62 62 ILE N N 15 119.335 0.021 . . . . . . . 237 I N . 51326 1 282 . 1 . 1 63 63 GLN H H 1 7.818 0.003 . . . . . . . 238 Q HN . 51326 1 283 . 1 . 1 63 63 GLN C C 13 177.872 0.018 . . . . . . . 238 Q C . 51326 1 284 . 1 . 1 63 63 GLN CA C 13 58.464 0.048 . . . . . . . 238 Q CA . 51326 1 285 . 1 . 1 63 63 GLN CB C 13 28.207 0.012 . . . . . . . 238 Q CB . 51326 1 286 . 1 . 1 63 63 GLN N N 15 117.692 0.029 . . . . . . . 238 Q N . 51326 1 287 . 1 . 1 64 64 ASN H H 1 8.397 0.002 . . . . . . . 239 N HN . 51326 1 288 . 1 . 1 64 64 ASN C C 13 176.684 0.009 . . . . . . . 239 N C . 51326 1 289 . 1 . 1 64 64 ASN CA C 13 52.337 0.069 . . . . . . . 239 N CA . 51326 1 290 . 1 . 1 64 64 ASN CB C 13 38.206 0.013 . . . . . . . 239 N CB . 51326 1 291 . 1 . 1 64 64 ASN N N 15 114.497 0.012 . . . . . . . 239 N N . 51326 1 292 . 1 . 1 65 65 GLY H H 1 7.574 0.001 . . . . . . . 240 G HN . 51326 1 293 . 1 . 1 65 65 GLY C C 13 175.436 0.004 . . . . . . . 240 G C . 51326 1 294 . 1 . 1 65 65 GLY CA C 13 46.643 0.004 . . . . . . . 240 G CA . 51326 1 295 . 1 . 1 65 65 GLY N N 15 107.612 0.014 . . . . . . . 240 G N . 51326 1 296 . 1 . 1 66 66 SER H H 1 8.324 0.002 . . . . . . . 241 S HN . 51326 1 297 . 1 . 1 66 66 SER C C 13 174.946 0.000 . . . . . . . 241 S C . 51326 1 298 . 1 . 1 66 66 SER CA C 13 61.293 0.033 . . . . . . . 241 S CA . 51326 1 299 . 1 . 1 66 66 SER CB C 13 63.096 0.007 . . . . . . . 241 S CB . 51326 1 300 . 1 . 1 66 66 SER N N 15 115.158 0.044 . . . . . . . 241 S N . 51326 1 301 . 1 . 1 67 67 TYR H H 1 7.995 0.002 . . . . . . . 242 Y HN . 51326 1 302 . 1 . 1 67 67 TYR C C 13 176.156 0.000 . . . . . . . 242 Y C . 51326 1 303 . 1 . 1 67 67 TYR CA C 13 55.253 0.000 . . . . . . . 242 Y CA . 51326 1 304 . 1 . 1 67 67 TYR CB C 13 38.019 0.000 . . . . . . . 242 Y CB . 51326 1 305 . 1 . 1 67 67 TYR N N 15 118.814 0.002 . . . . . . . 242 Y N . 51326 1 306 . 1 . 1 68 68 LYS C C 13 175.347 0.000 . . . . . . . 243 K C . 51326 1 307 . 1 . 1 68 68 LYS CA C 13 55.340 0.000 . . . . . . . 243 K CA . 51326 1 308 . 1 . 1 68 68 LYS CB C 13 32.003 0.057 . . . . . . . 243 K CB . 51326 1 309 . 1 . 1 69 69 SER H H 1 7.661 0.001 . . . . . . . 244 S HN . 51326 1 310 . 1 . 1 69 69 SER C C 13 173.721 0.008 . . . . . . . 244 S C . 51326 1 311 . 1 . 1 69 69 SER CA C 13 56.933 0.054 . . . . . . . 244 S CA . 51326 1 312 . 1 . 1 69 69 SER CB C 13 65.755 0.116 . . . . . . . 244 S CB . 51326 1 313 . 1 . 1 69 69 SER N N 15 110.216 0.038 . . . . . . . 244 S N . 51326 1 314 . 1 . 1 70 70 ILE H H 1 9.011 0.003 . . . . . . . 245 I HN . 51326 1 315 . 1 . 1 70 70 ILE C C 13 177.865 0.011 . . . . . . . 245 I C . 51326 1 316 . 1 . 1 70 70 ILE CA C 13 65.137 0.006 . . . . . . . 245 I CA . 51326 1 317 . 1 . 1 70 70 ILE CB C 13 37.729 0.093 . . . . . . . 245 I CB . 51326 1 318 . 1 . 1 70 70 ILE N N 15 120.019 0.015 . . . . . . . 245 I N . 51326 1 319 . 1 . 1 71 71 HIS H H 1 8.073 0.003 . . . . . . . 246 H HN . 51326 1 320 . 1 . 1 71 71 HIS CA C 13 58.983 0.060 . . . . . . . 246 H CA . 51326 1 321 . 1 . 1 71 71 HIS CB C 13 30.200 0.001 . . . . . . . 246 H CB . 51326 1 322 . 1 . 1 71 71 HIS N N 15 119.553 0.015 . . . . . . . 246 H N . 51326 1 323 . 1 . 1 72 72 ALA H H 1 7.757 0.001 . . . . . . . 247 A HN . 51326 1 324 . 1 . 1 72 72 ALA C C 13 179.378 0.004 . . . . . . . 247 A C . 51326 1 325 . 1 . 1 72 72 ALA CA C 13 55.071 0.016 . . . . . . . 247 A CA . 51326 1 326 . 1 . 1 72 72 ALA CB C 13 19.127 0.002 . . . . . . . 247 A CB . 51326 1 327 . 1 . 1 72 72 ALA N N 15 120.488 0.009 . . . . . . . 247 A N . 51326 1 328 . 1 . 1 73 73 MET H H 1 6.567 0.002 . . . . . . . 248 M HN . 51326 1 329 . 1 . 1 73 73 MET C C 13 177.404 0.000 . . . . . . . 248 M C . 51326 1 330 . 1 . 1 73 73 MET CA C 13 58.868 0.000 . . . . . . . 248 M CA . 51326 1 331 . 1 . 1 73 73 MET CB C 13 31.532 0.000 . . . . . . . 248 M CB . 51326 1 332 . 1 . 1 73 73 MET N N 15 117.565 0.030 . . . . . . . 248 M N . 51326 1 333 . 1 . 1 74 74 ALA C C 13 177.894 0.007 . . . . . . . 249 A C . 51326 1 334 . 1 . 1 74 74 ALA CA C 13 55.069 0.037 . . . . . . . 249 A CA . 51326 1 335 . 1 . 1 74 74 ALA CB C 13 17.856 0.061 . . . . . . . 249 A CB . 51326 1 336 . 1 . 1 75 75 LYS H H 1 7.596 0.001 . . . . . . . 250 K HN . 51326 1 337 . 1 . 1 75 75 LYS C C 13 179.723 0.011 . . . . . . . 250 K C . 51326 1 338 . 1 . 1 75 75 LYS CA C 13 59.337 0.042 . . . . . . . 250 K CA . 51326 1 339 . 1 . 1 75 75 LYS CB C 13 32.038 0.003 . . . . . . . 250 K CB . 51326 1 340 . 1 . 1 75 75 LYS N N 15 115.008 0.012 . . . . . . . 250 K N . 51326 1 341 . 1 . 1 76 76 ASP H H 1 6.891 0.002 . . . . . . . 251 D HN . 51326 1 342 . 1 . 1 76 76 ASP C C 13 178.020 0.001 . . . . . . . 251 D C . 51326 1 343 . 1 . 1 76 76 ASP CA C 13 56.813 0.082 . . . . . . . 251 D CA . 51326 1 344 . 1 . 1 76 76 ASP CB C 13 39.916 0.054 . . . . . . . 251 D CB . 51326 1 345 . 1 . 1 76 76 ASP N N 15 121.430 0.032 . . . . . . . 251 D N . 51326 1 346 . 1 . 1 77 77 ILE H H 1 7.639 0.002 . . . . . . . 252 I HN . 51326 1 347 . 1 . 1 77 77 ILE C C 13 177.765 0.007 . . . . . . . 252 I C . 51326 1 348 . 1 . 1 77 77 ILE CA C 13 61.210 0.052 . . . . . . . 252 I CA . 51326 1 349 . 1 . 1 77 77 ILE CB C 13 33.981 0.039 . . . . . . . 252 I CB . 51326 1 350 . 1 . 1 77 77 ILE N N 15 123.385 0.016 . . . . . . . 252 I N . 51326 1 351 . 1 . 1 78 78 ASP H H 1 8.846 0.004 . . . . . . . 253 D HN . 51326 1 352 . 1 . 1 78 78 ASP C C 13 179.824 0.013 . . . . . . . 253 D C . 51326 1 353 . 1 . 1 78 78 ASP CA C 13 57.490 0.077 . . . . . . . 253 D CA . 51326 1 354 . 1 . 1 78 78 ASP CB C 13 39.564 0.057 . . . . . . . 253 D CB . 51326 1 355 . 1 . 1 78 78 ASP N N 15 120.833 0.003 . . . . . . . 253 D N . 51326 1 356 . 1 . 1 79 79 LEU H H 1 7.655 0.001 . . . . . . . 254 L HN . 51326 1 357 . 1 . 1 79 79 LEU C C 13 176.674 0.015 . . . . . . . 254 L C . 51326 1 358 . 1 . 1 79 79 LEU CA C 13 57.965 0.066 . . . . . . . 254 L CA . 51326 1 359 . 1 . 1 79 79 LEU CB C 13 42.600 0.008 . . . . . . . 254 L CB . 51326 1 360 . 1 . 1 79 79 LEU N N 15 123.316 0.003 . . . . . . . 254 L N . 51326 1 361 . 1 . 1 80 80 LEU H H 1 8.153 0.002 . . . . . . . 255 L HN . 51326 1 362 . 1 . 1 80 80 LEU C C 13 180.287 0.000 . . . . . . . 255 L C . 51326 1 363 . 1 . 1 80 80 LEU CA C 13 57.990 0.000 . . . . . . . 255 L CA . 51326 1 364 . 1 . 1 80 80 LEU CB C 13 42.608 0.000 . . . . . . . 255 L CB . 51326 1 365 . 1 . 1 80 80 LEU N N 15 121.360 0.060 . . . . . . . 255 L N . 51326 1 366 . 1 . 1 81 81 ALA H H 1 8.390 0.002 . . . . . . . 256 A HN . 51326 1 367 . 1 . 1 81 81 ALA C C 13 178.117 0.004 . . . . . . . 256 A C . 51326 1 368 . 1 . 1 81 81 ALA CA C 13 55.101 0.119 . . . . . . . 256 A CA . 51326 1 369 . 1 . 1 81 81 ALA CB C 13 18.719 0.054 . . . . . . . 256 A CB . 51326 1 370 . 1 . 1 81 81 ALA N N 15 123.211 0.020 . . . . . . . 256 A N . 51326 1 371 . 1 . 1 82 82 LYS H H 1 8.580 0.002 . . . . . . . 257 K HN . 51326 1 372 . 1 . 1 82 82 LYS C C 13 180.214 0.008 . . . . . . . 257 K C . 51326 1 373 . 1 . 1 82 82 LYS CA C 13 59.646 0.024 . . . . . . . 257 K CA . 51326 1 374 . 1 . 1 82 82 LYS CB C 13 32.359 0.039 . . . . . . . 257 K CB . 51326 1 375 . 1 . 1 82 82 LYS N N 15 120.248 0.015 . . . . . . . 257 K N . 51326 1 376 . 1 . 1 83 83 ASN H H 1 9.135 0.003 . . . . . . . 258 N HN . 51326 1 377 . 1 . 1 83 83 ASN C C 13 177.474 0.008 . . . . . . . 258 N C . 51326 1 378 . 1 . 1 83 83 ASN CA C 13 55.376 0.056 . . . . . . . 258 N CA . 51326 1 379 . 1 . 1 83 83 ASN CB C 13 37.491 0.026 . . . . . . . 258 N CB . 51326 1 380 . 1 . 1 83 83 ASN N N 15 120.295 0.011 . . . . . . . 258 N N . 51326 1 381 . 1 . 1 84 84 ALA H H 1 7.347 0.005 . . . . . . . 259 A HN . 51326 1 382 . 1 . 1 84 84 ALA C C 13 180.635 0.000 . . . . . . . 259 A C . 51326 1 383 . 1 . 1 84 84 ALA CA C 13 55.254 0.000 . . . . . . . 259 A CA . 51326 1 384 . 1 . 1 84 84 ALA CB C 13 19.325 0.000 . . . . . . . 259 A CB . 51326 1 385 . 1 . 1 84 84 ALA N N 15 121.656 0.034 . . . . . . . 259 A N . 51326 1 386 . 1 . 1 85 85 LYS C C 13 176.226 0.000 . . . . . . . 260 K C . 51326 1 387 . 1 . 1 85 85 LYS CA C 13 58.162 0.078 . . . . . . . 260 K CA . 51326 1 388 . 1 . 1 85 85 LYS CB C 13 31.795 0.063 . . . . . . . 260 K CB . 51326 1 389 . 1 . 1 86 86 THR H H 1 7.979 0.001 . . . . . . . 261 T HN . 51326 1 390 . 1 . 1 86 86 THR C C 13 175.227 0.000 . . . . . . . 261 T C . 51326 1 391 . 1 . 1 86 86 THR CA C 13 65.279 0.000 . . . . . . . 261 T CA . 51326 1 392 . 1 . 1 86 86 THR CB C 13 69.128 0.000 . . . . . . . 261 T CB . 51326 1 393 . 1 . 1 86 86 THR N N 15 115.925 0.041 . . . . . . . 261 T N . 51326 1 394 . 1 . 1 87 87 TYR H H 1 7.775 0.008 . . . . . . . 262 Y HN . 51326 1 395 . 1 . 1 87 87 TYR C C 13 174.342 0.000 . . . . . . . 262 Y C . 51326 1 396 . 1 . 1 87 87 TYR CA C 13 60.624 0.069 . . . . . . . 262 Y CA . 51326 1 397 . 1 . 1 87 87 TYR CB C 13 40.682 0.033 . . . . . . . 262 Y CB . 51326 1 398 . 1 . 1 87 87 TYR N N 15 118.659 0.079 . . . . . . . 262 Y N . 51326 1 399 . 1 . 1 88 88 ASN H H 1 7.523 0.001 . . . . . . . 263 N HN . 51326 1 400 . 1 . 1 88 88 ASN C C 13 173.424 0.002 . . . . . . . 263 N C . 51326 1 401 . 1 . 1 88 88 ASN CA C 13 52.556 0.070 . . . . . . . 263 N CA . 51326 1 402 . 1 . 1 88 88 ASN CB C 13 41.578 0.030 . . . . . . . 263 N CB . 51326 1 403 . 1 . 1 88 88 ASN N N 15 113.379 0.013 . . . . . . . 263 N N . 51326 1 404 . 1 . 1 89 89 GLU H H 1 8.692 0.002 . . . . . . . 264 E HN . 51326 1 405 . 1 . 1 89 89 GLU C C 13 175.500 0.000 . . . . . . . 264 E C . 51326 1 406 . 1 . 1 89 89 GLU CA C 13 54.790 0.000 . . . . . . . 264 E CA . 51326 1 407 . 1 . 1 89 89 GLU CB C 13 29.315 0.000 . . . . . . . 264 E CB . 51326 1 408 . 1 . 1 89 89 GLU N N 15 118.868 0.003 . . . . . . . 264 E N . 51326 1 409 . 1 . 1 90 90 PRO C C 13 176.863 0.000 . . . . . . . 265 P C . 51326 1 410 . 1 . 1 90 90 PRO CA C 13 63.421 0.056 . . . . . . . 265 P CA . 51326 1 411 . 1 . 1 90 90 PRO CB C 13 31.336 0.019 . . . . . . . 265 P CB . 51326 1 412 . 1 . 1 91 91 GLY H H 1 7.371 0.001 . . . . . . . 266 G HN . 51326 1 413 . 1 . 1 91 91 GLY C C 13 174.271 0.011 . . . . . . . 266 G C . 51326 1 414 . 1 . 1 91 91 GLY CA C 13 45.190 0.101 . . . . . . . 266 G CA . 51326 1 415 . 1 . 1 91 91 GLY N N 15 107.103 0.018 . . . . . . . 266 G N . 51326 1 416 . 1 . 1 92 92 SER H H 1 7.921 0.001 . . . . . . . 267 S HN . 51326 1 417 . 1 . 1 92 92 SER C C 13 175.003 0.000 . . . . . . . 267 S C . 51326 1 418 . 1 . 1 92 92 SER CA C 13 58.427 0.024 . . . . . . . 267 S CA . 51326 1 419 . 1 . 1 92 92 SER CB C 13 65.458 0.061 . . . . . . . 267 S CB . 51326 1 420 . 1 . 1 92 92 SER N N 15 116.002 0.024 . . . . . . . 267 S N . 51326 1 421 . 1 . 1 93 93 GLN H H 1 9.017 0.009 . . . . . . . 268 Q HN . 51326 1 422 . 1 . 1 93 93 GLN CA C 13 58.760 0.072 . . . . . . . 268 Q CA . 51326 1 423 . 1 . 1 93 93 GLN CB C 13 29.022 0.068 . . . . . . . 268 Q CB . 51326 1 424 . 1 . 1 93 93 GLN N N 15 123.643 0.014 . . . . . . . 268 Q N . 51326 1 425 . 1 . 1 94 94 VAL H H 1 8.172 0.001 . . . . . . . 269 V HN . 51326 1 426 . 1 . 1 94 94 VAL C C 13 176.855 0.003 . . . . . . . 269 V C . 51326 1 427 . 1 . 1 94 94 VAL CA C 13 65.932 0.089 . . . . . . . 269 V CA . 51326 1 428 . 1 . 1 94 94 VAL CB C 13 31.893 0.033 . . . . . . . 269 V CB . 51326 1 429 . 1 . 1 94 94 VAL N N 15 116.569 0.035 . . . . . . . 269 V N . 51326 1 430 . 1 . 1 95 95 PHE H H 1 7.184 0.001 . . . . . . . 270 F HN . 51326 1 431 . 1 . 1 95 95 PHE C C 13 177.089 0.000 . . . . . . . 270 F C . 51326 1 432 . 1 . 1 95 95 PHE CA C 13 61.558 0.000 . . . . . . . 270 F CA . 51326 1 433 . 1 . 1 95 95 PHE CB C 13 41.030 0.000 . . . . . . . 270 F CB . 51326 1 434 . 1 . 1 95 95 PHE N N 15 121.572 0.018 . . . . . . . 270 F N . 51326 1 435 . 1 . 1 96 96 LYS H H 1 8.005 0.002 . . . . . . . 271 K HN . 51326 1 436 . 1 . 1 96 96 LYS C C 13 174.221 0.000 . . . . . . . 271 K C . 51326 1 437 . 1 . 1 96 96 LYS CA C 13 57.535 0.000 . . . . . . . 271 K CA . 51326 1 438 . 1 . 1 96 96 LYS CB C 13 33.701 0.000 . . . . . . . 271 K CB . 51326 1 439 . 1 . 1 96 96 LYS N N 15 122.401 0.011 . . . . . . . 271 K N . 51326 1 440 . 1 . 1 97 97 ASP H H 1 9.239 0.004 . . . . . . . 272 D HN . 51326 1 441 . 1 . 1 97 97 ASP C C 13 177.848 0.000 . . . . . . . 272 D C . 51326 1 442 . 1 . 1 97 97 ASP CA C 13 57.935 0.000 . . . . . . . 272 D CA . 51326 1 443 . 1 . 1 97 97 ASP CB C 13 40.220 0.000 . . . . . . . 272 D CB . 51326 1 444 . 1 . 1 97 97 ASP N N 15 122.258 0.018 . . . . . . . 272 D N . 51326 1 445 . 1 . 1 98 98 ALA H H 1 8.200 0.002 . . . . . . . 273 A HN . 51326 1 446 . 1 . 1 98 98 ALA C C 13 178.089 0.000 . . . . . . . 273 A C . 51326 1 447 . 1 . 1 98 98 ALA CA C 13 55.066 0.000 . . . . . . . 273 A CA . 51326 1 448 . 1 . 1 98 98 ALA CB C 13 18.334 0.000 . . . . . . . 273 A CB . 51326 1 449 . 1 . 1 98 98 ALA N N 15 120.084 0.023 . . . . . . . 273 A N . 51326 1 450 . 1 . 1 99 99 ASN C C 13 178.763 0.000 . . . . . . . 274 N C . 51326 1 451 . 1 . 1 99 99 ASN CA C 13 55.817 0.075 . . . . . . . 274 N CA . 51326 1 452 . 1 . 1 99 99 ASN CB C 13 38.235 0.034 . . . . . . . 274 N CB . 51326 1 453 . 1 . 1 100 100 SER H H 1 8.524 0.001 . . . . . . . 275 S HN . 51326 1 454 . 1 . 1 100 100 SER C C 13 175.318 0.020 . . . . . . . 275 S C . 51326 1 455 . 1 . 1 100 100 SER CA C 13 62.617 0.071 . . . . . . . 275 S CA . 51326 1 456 . 1 . 1 100 100 SER N N 15 118.823 0.015 . . . . . . . 275 S N . 51326 1 457 . 1 . 1 101 101 ILE H H 1 8.437 0.002 . . . . . . . 276 I HN . 51326 1 458 . 1 . 1 101 101 ILE C C 13 176.481 0.009 . . . . . . . 276 I C . 51326 1 459 . 1 . 1 101 101 ILE CA C 13 66.193 0.082 . . . . . . . 276 I CA . 51326 1 460 . 1 . 1 101 101 ILE CB C 13 37.308 0.030 . . . . . . . 276 I CB . 51326 1 461 . 1 . 1 101 101 ILE N N 15 122.535 0.020 . . . . . . . 276 I N . 51326 1 462 . 1 . 1 102 102 LYS H H 1 7.367 0.001 . . . . . . . 277 K HN . 51326 1 463 . 1 . 1 102 102 LYS C C 13 177.339 0.001 . . . . . . . 277 K C . 51326 1 464 . 1 . 1 102 102 LYS CA C 13 60.605 0.074 . . . . . . . 277 K CA . 51326 1 465 . 1 . 1 102 102 LYS CB C 13 32.791 0.036 . . . . . . . 277 K CB . 51326 1 466 . 1 . 1 102 102 LYS N N 15 118.420 0.014 . . . . . . . 277 K N . 51326 1 467 . 1 . 1 103 103 LYS H H 1 8.098 0.001 . . . . . . . 278 K HN . 51326 1 468 . 1 . 1 103 103 LYS C C 13 179.124 0.012 . . . . . . . 278 K C . 51326 1 469 . 1 . 1 103 103 LYS CA C 13 60.219 0.079 . . . . . . . 278 K CA . 51326 1 470 . 1 . 1 103 103 LYS CB C 13 32.594 0.072 . . . . . . . 278 K CB . 51326 1 471 . 1 . 1 103 103 LYS N N 15 118.642 0.051 . . . . . . . 278 K N . 51326 1 472 . 1 . 1 104 104 ILE H H 1 8.617 0.002 . . . . . . . 279 I HN . 51326 1 473 . 1 . 1 104 104 ILE C C 13 178.283 0.005 . . . . . . . 279 I C . 51326 1 474 . 1 . 1 104 104 ILE CA C 13 64.628 0.033 . . . . . . . 279 I CA . 51326 1 475 . 1 . 1 104 104 ILE CB C 13 37.861 0.068 . . . . . . . 279 I CB . 51326 1 476 . 1 . 1 104 104 ILE N N 15 119.753 0.013 . . . . . . . 279 I N . 51326 1 477 . 1 . 1 105 105 PHE H H 1 8.260 0.002 . . . . . . . 280 F HN . 51326 1 478 . 1 . 1 105 105 PHE C C 13 176.218 0.008 . . . . . . . 280 F C . 51326 1 479 . 1 . 1 105 105 PHE CA C 13 62.418 0.048 . . . . . . . 280 F CA . 51326 1 480 . 1 . 1 105 105 PHE CB C 13 39.157 0.005 . . . . . . . 280 F CB . 51326 1 481 . 1 . 1 105 105 PHE N N 15 119.533 0.008 . . . . . . . 280 F N . 51326 1 482 . 1 . 1 106 106 TYR H H 1 8.490 0.001 . . . . . . . 281 Y HN . 51326 1 483 . 1 . 1 106 106 TYR C C 13 179.702 0.001 . . . . . . . 281 Y C . 51326 1 484 . 1 . 1 106 106 TYR CA C 13 64.251 0.077 . . . . . . . 281 Y CA . 51326 1 485 . 1 . 1 106 106 TYR CB C 13 37.283 0.027 . . . . . . . 281 Y CB . 51326 1 486 . 1 . 1 106 106 TYR N N 15 116.036 0.053 . . . . . . . 281 Y N . 51326 1 487 . 1 . 1 107 107 MET H H 1 8.698 0.001 . . . . . . . 282 M HN . 51326 1 488 . 1 . 1 107 107 MET C C 13 178.249 0.067 . . . . . . . 282 M C . 51326 1 489 . 1 . 1 107 107 MET CA C 13 59.495 0.000 . . . . . . . 282 M CA . 51326 1 490 . 1 . 1 107 107 MET CB C 13 33.030 0.000 . . . . . . . 282 M CB . 51326 1 491 . 1 . 1 107 107 MET N N 15 122.187 0.033 . . . . . . . 282 M N . 51326 1 492 . 1 . 1 108 108 LYS H H 1 8.354 0.001 . . . . . . . 283 K HN . 51326 1 493 . 1 . 1 108 108 LYS C C 13 176.939 0.000 . . . . . . . 283 K C . 51326 1 494 . 1 . 1 108 108 LYS CA C 13 60.172 0.062 . . . . . . . 283 K CA . 51326 1 495 . 1 . 1 108 108 LYS CB C 13 32.952 0.023 . . . . . . . 283 K CB . 51326 1 496 . 1 . 1 108 108 LYS N N 15 120.562 0.025 . . . . . . . 283 K N . 51326 1 497 . 1 . 1 109 109 LYS H H 1 8.141 0.005 . . . . . . . 284 K HN . 51326 1 498 . 1 . 1 109 109 LYS C C 13 178.078 0.000 . . . . . . . 284 K C . 51326 1 499 . 1 . 1 109 109 LYS CA C 13 59.335 0.000 . . . . . . . 284 K CA . 51326 1 500 . 1 . 1 109 109 LYS CB C 13 32.974 0.052 . . . . . . . 284 K CB . 51326 1 501 . 1 . 1 109 109 LYS N N 15 121.241 0.023 . . . . . . . 284 K N . 51326 1 502 . 1 . 1 110 110 ALA H H 1 7.472 0.001 . . . . . . . 285 A HN . 51326 1 503 . 1 . 1 110 110 ALA C C 13 179.572 0.005 . . . . . . . 285 A C . 51326 1 504 . 1 . 1 110 110 ALA CA C 13 54.618 0.081 . . . . . . . 285 A CA . 51326 1 505 . 1 . 1 110 110 ALA CB C 13 18.022 0.031 . . . . . . . 285 A CB . 51326 1 506 . 1 . 1 110 110 ALA N N 15 118.987 0.011 . . . . . . . 285 A N . 51326 1 507 . 1 . 1 111 111 GLU H H 1 7.565 0.001 . . . . . . . 286 E HN . 51326 1 508 . 1 . 1 111 111 GLU C C 13 178.800 0.014 . . . . . . . 286 E C . 51326 1 509 . 1 . 1 111 111 GLU CA C 13 59.117 0.032 . . . . . . . 286 E CA . 51326 1 510 . 1 . 1 111 111 GLU CB C 13 30.319 0.020 . . . . . . . 286 E CB . 51326 1 511 . 1 . 1 111 111 GLU N N 15 118.036 0.012 . . . . . . . 286 E N . 51326 1 512 . 1 . 1 112 112 ILE H H 1 7.881 0.005 . . . . . . . 287 I HN . 51326 1 513 . 1 . 1 112 112 ILE C C 13 178.001 0.006 . . . . . . . 287 I C . 51326 1 514 . 1 . 1 112 112 ILE CA C 13 63.481 0.081 . . . . . . . 287 I CA . 51326 1 515 . 1 . 1 112 112 ILE CB C 13 38.843 0.050 . . . . . . . 287 I CB . 51326 1 516 . 1 . 1 112 112 ILE N N 15 117.087 0.009 . . . . . . . 287 I N . 51326 1 517 . 1 . 1 113 113 GLU H H 1 8.202 0.004 . . . . . . . 288 E HN . 51326 1 518 . 1 . 1 113 113 GLU C C 13 176.630 0.002 . . . . . . . 288 E C . 51326 1 519 . 1 . 1 113 113 GLU CA C 13 57.878 0.040 . . . . . . . 288 E CA . 51326 1 520 . 1 . 1 113 113 GLU CB C 13 29.848 0.008 . . . . . . . 288 E CB . 51326 1 521 . 1 . 1 113 113 GLU N N 15 119.270 0.010 . . . . . . . 288 E N . 51326 1 522 . 1 . 1 114 114 HIS H H 1 7.790 0.001 . . . . . . . 289 H HN . 51326 1 523 . 1 . 1 114 114 HIS CA C 13 56.342 0.000 . . . . . . . 289 H CA . 51326 1 524 . 1 . 1 114 114 HIS CB C 13 29.486 0.000 . . . . . . . 289 H CB . 51326 1 525 . 1 . 1 114 114 HIS N N 15 117.725 0.016 . . . . . . . 289 H N . 51326 1 526 . 1 . 1 115 115 HIS CA C 13 56.074 0.079 . . . . . . . 290 H CA . 51326 1 527 . 1 . 1 115 115 HIS CB C 13 30.233 0.016 . . . . . . . 290 H CB . 51326 1 528 . 1 . 1 116 116 GLU H H 1 8.123 0.002 . . . . . . . 291 E HN . 51326 1 529 . 1 . 1 116 116 GLU C C 13 181.117 0.000 . . . . . . . 291 E C . 51326 1 530 . 1 . 1 116 116 GLU CA C 13 58.213 0.000 . . . . . . . 291 E CA . 51326 1 531 . 1 . 1 116 116 GLU CB C 13 30.987 0.000 . . . . . . . 291 E CB . 51326 1 532 . 1 . 1 116 116 GLU N N 15 127.262 0.044 . . . . . . . 291 E N . 51326 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 51326 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name HSQC _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 HSQC' _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 ; Assignment w1 w2 Height Volume A285HN-A285N 7.472 118.986 1.66E+12 1.00E+13 bx G266HN-G266N 7.371 107.129 4.07E+11 2.70E+12 bx G201HN-G201N 8.512 109.984 1.25E+12 7.48E+12 bx T197HN-T197N 8.557 112.601 1.10E+12 6.98E+12 bx A196HN-A196N 6.735 124.139 1.60E+12 9.30E+12 bx A180HN-A180N 8.261 122.098 1.37E+12 8.25E+12 bx K231HN-K231N 8.248 122.695 1.47E+12 9.06E+12 bx S205HN-S205N 9.144 111.868 7.50E+11 4.59E+12 bx D219HN-D219N 9.031 117.066 1.87E+12 1.07E+13 bx G240HN-G240N 7.572 107.607 1.57E+12 9.24E+12 bx L203HN-L203N 8.815 124.439 1.24E+12 7.34E+12 bx ?-? 9.095 127.328 1.43E+12 8.25E+12 bx K225HN-K225N 7.871 125.340 1.16E+12 7.29E+12 bx I204HN-I204N 7.856 123.600 6.67E+11 4.18E+12 bx A259HN-A259N 7.350 121.687 1.50E+12 8.86E+12 bx A222HN-A222N 7.515 121.070 1.61E+12 1.01E+13 bx S200HN-S200N 7.644 110.534 3.60E+11 3.54E+12 bx K214HN-K214N 8.949 129.211 5.26E+11 3.21E+12 bx E206HN-E206N 7.322 123.592 1.81E+12 1.07E+13 bx Q268HN-Q268N 9.019 123.658 8.72E+10 5.94E+11 bx A256HN-A256N 8.390 123.182 1.47E+12 8.88E+12 bx I233HN-I233N 7.463 123.146 9.52E+11 6.24E+12 bx L189HN-L189N 8.110 122.298 1.27E+12 7.90E+12 bx K271HN-K271N 8.005 122.387 1.24E+12 7.62E+12 bx D272HN-D272N 9.239 122.240 1.34E+12 7.98E+12 bx M282HN-M282N 8.698 122.178 1.11E+12 7.09E+12 bx Y220HN-Y220N 7.649 121.818 1.30E+12 7.68E+12 bx D229HN-D229N 6.966 121.861 1.08E+12 6.59E+12 bx F270HN-F270N 7.186 121.555 1.10E+12 6.63E+12 bx S178HN-S178N 8.741 121.344 4.64E+11 2.95E+12 bx D253HN-D253N 8.848 120.842 1.39E+12 8.49E+12 bx I228HN-I228N 8.941 121.157 8.08E+11 4.88E+12 bx I193HN-I193N 7.214 113.098 1.42E+12 8.48E+12 bx A192HN-A192N 7.386 116.483 2.21E+12 1.52E+13 bx N239HN-N239N 8.396 114.476 1.91E+12 1.11E+13 bx N263HN-N263N 7.521 113.393 1.43E+12 8.78E+12 bx S244HN-S244N 7.661 110.212 1.61E+12 9.91E+12 bx Y221HN-Y221N 6.899 113.929 9.64E+11 5.99E+12 bx Y181HN-Y181N 7.455 114.696 1.39E+12 8.92E+12 bx K250HN-K250N 7.595 115.001 1.88E+12 1.09E+13 bx Y217HN-Y217N 7.953 115.253 1.60E+12 9.55E+12 bx V215HN-V215N 7.585 115.765 1.56E+12 9.87E+12 bx V269HN-V269N 8.171 116.570 1.31E+12 8.21E+12 bx L207HN-L207N 9.074 116.518 1.32E+12 7.84E+12 bx Y262HN-Y262N 7.783 118.580 1.06E+12 6.61E+12 bx V194HN-V194N 8.234 115.924 1.25E+12 7.73E+12 bx Y281HN-Y281N 8.488 116.051 1.03E+12 6.54E+12 bx T261HN-T261N 7.979 115.859 1.14E+12 7.45E+12 bx K257HN-K257N 8.580 120.242 1.46E+12 9.01E+12 bx S275HN-S275N 8.523 118.804 1.51E+12 9.21E+12 bx N258HN-N258N 9.135 120.293 1.34E+12 8.18E+12 bx K283HN-K283N 8.356 120.573 1.25E+12 7.80E+12 bx A247HN-A247N 7.758 120.463 1.57E+12 1.04E+13 bx ?-? 7.791 120.586 1.90E+12 1.17E+13 bx M248HN-M248N 6.569 117.532 1.27E+12 8.11E+12 bx D251HN-D251N 6.889 121.449 1.46E+12 8.79E+12 bx Q209HN-Q209N 7.322 120.373 1.72E+12 1.03E+13 bx Q188HN-Q188N 7.920 120.488 1.71E+12 1.03E+13 bx K277HN-K277N 7.367 118.393 1.46E+12 9.00E+12 bx E286HN-E286N 7.564 118.020 1.48E+12 8.90E+12 bx K278HN-K278N 8.099 118.671 1.28E+12 7.69E+12 bx Q216HN-Q216N 7.137 117.284 1.24E+12 8.42E+12 bx S213HN-S213N 8.968 117.332 4.23E+11 2.81E+12 bx E187HN-E187N 8.655 116.900 1.47E+12 8.72E+12 bx L230HN-L230N 8.921 116.008 7.33E+11 4.62E+12 bx L190HN-L190N 8.134 117.438 1.27E+12 7.66E+12 bx L186HN-L186N 8.722 119.774 1.10E+12 6.76E+12 bx E264HN-E264N 8.692 118.862 1.59E+12 9.81E+12 bx R202HN-R202N 7.579 120.747 1.65E+12 9.64E+12 bx A234HN-A234N 8.516 120.723 2.73E+12 1.67E+13 bx E191HN-E191N 8.446 119.341 2.37E+12 1.52E+13 bx E226HN-E226N 8.417 119.260 2.47E+12 1.55E+13 bx I237HN-I237N 7.952 119.324 1.03E+12 6.89E+12 bx R236HN-R236N 8.115 120.887 1.19E+12 7.70E+12 bx S267HN-S267N 7.922 115.987 2.09E+12 1.33E+13 bx E291HN-E291N 8.125 127.200 3.65E+12 1.96E+13 bx F280HN-F280N 8.259 119.531 1.34E+12 8.54E+12 bx L254HN-L254N 7.656 123.311 1.68E+12 1.15E+13 bx I252HN-I252N 7.641 123.368 1.77E+12 1.23E+13 bx V195HN-V195N 7.738 110.284 1.36E+12 8.81E+12 bx T232HN-T232N 8.706 119.078 1.02E+12 8.18E+12 bx I287HN-I287N 7.885 117.093 1.24E+12 8.01E+12 bx K183HN-K183N 7.890 117.626 1.78E+12 1.10E+13 bx I185HN-I185N 7.745 120.072 1.62E+12 9.94E+12 bx E184HN-E184N 7.363 116.311 2.07E+12 1.49E+13 bx H289HN-H289N 7.788 117.723 1.70E+12 1.10E+13 bx I279HN-I279N 8.615 119.756 1.19E+12 7.52E+12 bx K284HN-K284N 8.141 121.255 1.74E+12 1.22E+13 bx L255HN-L255N 8.151 121.388 1.48E+12 1.09E+13 bx ?-? 8.015 118.819 2.69E+12 1.67E+13 bx Y242HN-Y242N 7.995 118.819 2.87E+12 1.78E+13 bx N198HN-N198N 8.520 120.580 2.01E+12 1.47E+13 bx Q238HN-Q238N 7.819 117.683 1.89E+12 1.24E+13 bx K210HN-K210N 7.826 114.341 2.26E+12 1.31E+13 bx F208HN-F208N 7.900 115.963 1.82E+12 1.16E+13 bx H246HN-H246N 8.074 119.527 3.86E+11 2.76E+12 bx ?-? 8.189 119.284 1.91E+12 1.34E+13 bx ?-? 7.743 117.638 6.00E+11 4.41E+12 bx E288HN-E288N 8.204 119.263 2.18E+12 1.47E+13 bx ?-? 8.206 120.331 8.70E+11 7.67E+12 bx A273HN-A273N 8.195 120.066 1.30E+12 8.72E+12 bx ?-? 8.030 117.482 1.11E+12 7.13E+12 bx ?-? 8.002 117.605 1.16E+12 7.93E+12 bx ?-? 8.762 117.671 2.46E+11 1.67E+12 bx I245HN-I245N 9.011 120.052 5.77E+11 3.71E+12 bx I223HN-I223N 7.082 115.758 1.17E+12 7.34E+12 bx Q235HN-Q235N 8.053 117.087 1.19E+12 7.35E+12 bx S241HN-S241N 8.323 115.141 1.63E+12 9.43E+12 bx I276HN-I276N 8.435 122.504 1.12E+12 6.82E+12 bx ; 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 . . 1H 1 1H . aliased 16 ppm . . . . . . 51326 1 2 . . 15N 15 15N . aliased 30 ppm . . . . . . 51326 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 1 $software_1 . . 51326 1 2 $software_2 . . 51326 1 3 $software_3 . . 51326 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 51326 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name HNcaCO _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 HNCACO' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Height Volume A222HN-A222C-A222N 7.518 178.334 121.074 1.07E+12 1.37E+13 bx Y220HN-Y220C-Y220N 7.650 175.828 121.820 4.39E+11 5.52E+12 bx A285HN-A285C-A285N 7.475 179.580 119.000 8.57E+11 1.12E+13 bx L203HN-L203C-L203N 8.814 178.885 124.430 4.46E+11 5.34E+12 bx G201HN-G201C-G201N 8.515 173.605 109.983 2.73E+11 3.17E+12 bx S244HN-S244C-S244N 7.661 173.723 110.216 4.30E+11 6.12E+12 bx F208HN-F208C-F208N 7.904 175.053 115.957 7.28E+11 1.08E+13 bx E291HN-E291C-E291N 8.125 181.117 127.238 6.37E+12 7.18E+13 bx E184HN-E184C-E184N 7.360 179.703 116.291 1.01E+12 1.33E+13 bx R202HN-R202C-R202N 7.583 175.781 120.760 1.30E+12 1.61E+13 bx I245HN-I245C-I245N 9.011 177.864 120.030 9.81E+10 1.23E+12 bx D253HN-D253C-D253N 8.847 179.840 120.830 6.98E+11 9.23E+12 bx D251HN-D251C-D251N 6.892 178.021 121.336 3.11E+11 5.88E+12 bx E264HN-E264C-E264N 8.691 175.500 118.871 1.72E+12 1.92E+13 bx V215HN-V215C-V215N 7.587 176.092 115.759 7.84E+10 8.31E+11 bx K250HN-K250C-K250N 7.596 179.733 115.006 8.78E+11 1.29E+13 bx S241HN-S241C-S241N 8.326 174.946 115.143 5.29E+10 4.74E+11 bx D219HN-D219C-D219N 9.033 178.066 117.086 1.32E+12 1.52E+13 bx L190HN-L190C-L190N 8.133 178.432 117.451 4.90E+11 6.06E+12 bx S213HN-S213C-S213N 8.961 176.330 117.333 4.79E+10 7.81E+11 bx I223HN-I223C-I223N 7.080 175.340 115.756 6.93E+11 8.66E+12 bx Y181HN-Y181C-Y181N 7.458 178.750 114.771 6.76E+11 9.33E+12 bx A247HN-A247C-A247N 7.756 179.372 120.486 7.34E+11 9.52E+12 bx I279HN-I279C-I279N 8.620 178.277 119.758 2.98E+11 3.85E+12 bx L186HN-L186C-L186N 8.723 179.868 119.781 4.38E+11 5.55E+12 bx K257HN-K257C-K257N 8.583 180.204 120.236 8.34E+11 1.05E+13 bx I185HN-I185C-I185N 7.745 178.171 120.090 6.70E+11 8.39E+12 bx K283HN-K283C-K283N 8.355 176.939 120.586 4.96E+11 7.14E+12 bx K183HN-K183C-K183N 7.890 177.357 117.644 9.87E+11 1.21E+13 bx H289HN-H289C-H289N 7.793 174.401 117.689 7.28E+11 1.15E+13 bx S178HN-S178C-S178N 8.740 173.351 121.356 2.48E+11 3.56E+12 bx I228HN-I228C-I228N 8.942 170.404 121.171 4.10E+11 4.96E+12 bx A180HN-A180C-A180N 8.263 177.892 122.051 5.67E+11 8.14E+12 bx A196HN-A196C-A196N 6.737 178.190 124.132 1.33E+12 1.68E+13 bx D229HN-D229C-D229N 6.970 175.712 121.863 6.29E+11 7.78E+12 bx S205HN-S205C-S205N 9.151 176.522 111.872 1.32E+11 1.63E+12 bx E187HN-E187C-E187N 8.657 180.213 116.860 5.56E+11 7.65E+12 bx N258HN-N258C-N258N 9.137 177.482 120.262 6.89E+11 9.62E+12 bx D272HN-D272C-D272N 9.241 177.848 122.274 5.73E+11 7.06E+12 bx M282HN-M282C-M282N 8.698 178.341 122.274 5.08E+11 6.77E+12 bx L189HN-L189C-L189N 8.111 177.581 122.274 4.93E+11 6.00E+12 bx I204HN-I204C-I204N 7.858 177.062 123.660 1.96E+11 2.29E+12 bx E206HN-E206C-E206N 7.322 178.837 123.660 9.21E+11 1.20E+13 bx T232HN-T232C-T232N 8.709 176.188 119.063 1.43E+11 1.62E+12 bx N198HN-N198C-N198N 8.526 176.415 120.768 6.14E+11 9.02E+12 bx A234HN-A234C-A234N 8.517 180.624 120.768 8.34E+11 1.03E+13 bx R236HN-R236C-R236N 8.117 178.665 120.768 3.72E+11 5.59E+12 bx Y281HN-Y281C-Y281N 8.492 179.703 116.068 4.01E+11 5.57E+12 bx T261HN-T261C-T261N 7.979 175.227 115.931 1.88E+11 2.30E+12 bx N239HN-N239C-N239N 8.400 176.676 114.502 1.18E+12 1.56E+13 bx V194HN-V194C-V194N 8.234 176.863 115.928 4.12E+11 4.57E+12 bx E226HN-E226C-E226N 8.418 171.454 119.280 1.48E+12 1.69E+13 bx E191HN-E191C-E191N 8.450 177.025 119.280 7.58E+11 1.04E+13 bx E288HN-E288C-E288N 8.206 176.633 119.280 9.38E+11 1.22E+13 bx I237HN-I237C-I237N 7.954 179.268 119.280 2.41E+11 3.34E+12 bx Q188HN-Q188C-Q188N 7.922 179.747 120.504 1.08E+12 1.34E+13 bx A192HN-A192C-A192N 7.388 179.833 116.494 1.25E+12 1.64E+13 bx V269HN-V269C-V269N 8.173 176.852 116.494 4.81E+11 6.23E+12 bx I193HN-I193C-I193N 7.214 178.125 113.098 4.70E+11 5.09E+12 bx V195HN-V195C-V195N 7.740 177.160 110.279 8.19E+11 1.04E+13 bx T197HN-T197C-T197N 8.559 175.029 112.571 6.06E+11 8.18E+12 bx F270HN-F270C-F270N 7.182 177.089 121.570 4.52E+11 5.70E+12 bx A259HN-A259C-A259N 7.351 180.635 121.570 6.13E+11 8.55E+12 bx M248HN-M248C-M248N 6.568 177.404 117.578 4.01E+11 5.47E+12 bx K225HN-K225C-K225N 7.871 177.260 125.344 5.89E+11 8.74E+12 bx G240HN-G240C-G240N 7.574 175.439 107.576 3.87E+11 4.79E+12 bx S200HN-S200C-S200N 7.648 174.901 110.509 4.35E+10 6.13E+11 bx K278HN-K278C-K278N 8.099 179.107 118.660 5.32E+11 6.94E+12 bx F280HN-F280C-F280N 8.261 176.206 119.524 5.64E+11 6.89E+12 bx Q216HN-Q216C-Q216N 7.134 175.605 117.283 7.57E+11 1.01E+13 bx E286HN-E286C-E286N 7.568 178.787 118.052 6.71E+11 7.94E+12 bx G266HN-G266C-G266N 7.371 174.287 107.092 6.91E+10 8.27E+11 bx N263HN-N263C-N263N 7.523 173.422 113.358 7.96E+11 9.57E+12 bx Y221HN-Y220C-Y221N 6.906 175.828 113.848 3.67E+11 6.43E+12 bx I276HN-I276C-I276N 8.438 176.494 122.519 2.38E+11 3.20E+12 bx K284HN-K284C-K284N 8.138 178.078 121.302 4.55E+11 6.65E+12 bx S275HN-S275C-S275N 8.525 175.332 118.850 9.95E+10 1.40E+12 bx K214HN-K214C-K214N 8.950 177.297 129.228 2.94E+11 3.22E+12 bx Y217HN-Y217C-Y217N 7.956 173.350 115.231 8.42E+11 1.12E+13 bx L230HN-L230C-L230N 8.923 179.419 115.996 2.26E+11 2.93E+12 bx I233HN-I233C-I233N 7.464 177.309 123.162 3.04E+11 3.51E+12 bx Y242HN-Y242C-Y242N 7.997 176.156 118.814 1.47E+12 1.84E+13 bx H246HN-H246C-H246N 8.076 176.573 119.547 1.87E+11 2.26E+12 bx I252HN-I252C-I252N 7.638 177.774 123.378 4.16E+11 5.46E+12 bx K277HN-K277C-K277N 7.367 177.338 118.399 6.40E+11 8.69E+12 bx K225HN-I224C-K225N 7.870 174.235 125.392 4.39E+11 5.56E+12 bx A196HN-V195C-A196N 6.737 177.172 124.231 1.15E+11 1.55E+12 bx E206HN-S205C-E206N 7.318 176.525 123.594 8.12E+10 1.14E+12 bx K214HN-S213C-K214N 8.948 176.361 129.133 3.07E+10 5.34E+11 bx E291HN-H290C-E291N 8.126 173.901 127.295 1.39E+12 1.99E+13 bx I204HN-L203C-I204N 7.855 178.890 123.609 1.54E+11 1.54E+12 bx L254HN-L254C-L254N 7.656 176.666 123.316 2.94E+11 4.59E+12 bx L254HN-D253C-L254N 7.656 179.825 123.316 1.31E+11 2.10E+12 bx I252HN-D251C-I252N 7.639 178.019 123.393 1.55E+11 2.23E+12 bx I233HN-T232C-I233N 7.465 176.197 123.133 8.07E+10 7.73E+11 bx D229HN-I228C-D229N 6.970 170.407 121.843 2.10E+11 2.35E+12 bx Y220HN-D219C-Y220N 7.652 178.070 121.843 3.34E+11 3.67E+12 bx D251HN-K250C-D251N 6.890 179.718 121.438 2.61E+11 3.08E+12 bx F270HN-V269C-F270N 7.185 176.860 121.585 2.14E+11 2.91E+12 bx A259HN-N258C-A259N 7.347 177.464 121.671 2.23E+11 2.93E+12 bx Q209HN-F208C-Q209N 7.322 175.043 120.405 1.26E+12 1.61E+13 bx L203HN-R202C-L203N 8.815 175.786 124.398 6.00E+11 7.17E+12 bx D272HN-?-D272N 9.241 180.318 122.239 1.93E+11 2.16E+12 bx K271HN-K271C-K271N 8.005 174.221 122.399 6.90E+11 8.40E+12 bx K271HN-?-K271N 8.005 175.356 122.399 1.98E+11 2.37E+12 bx N258HN-K257C-N258N 9.139 180.224 120.299 1.65E+11 2.40E+12 bx I245HN-S244C-I245N 9.005 173.711 120.008 6.21E+10 1.02E+12 bx I228HN-P227C-I228N 8.941 175.785 121.144 2.57E+11 2.63E+12 bx D253HN-I252C-D253N 8.848 177.761 120.834 1.85E+11 2.71E+12 bx S178HN-M177C-S178N 8.737 175.742 121.340 2.34E+11 3.21E+12 bx M282HN-Y281C-M282N 8.698 179.701 122.167 1.54E+11 1.86E+12 bx I276HN-S275C-I276N 8.440 175.289 122.554 2.92E+10 5.67E+11 bx G201HN-S200C-G201N 8.511 174.894 109.984 8.23E+10 8.74E+11 bx S205HN-I204C-S205N 9.152 177.099 111.925 7.40E+10 9.79E+11 bx T197HN-A196C-T197N 8.563 178.205 112.595 2.59E+11 3.47E+12 bx L207HN-E206C-L207N 9.074 178.836 116.507 2.99E+11 3.37E+12 bx D219HN-P218C-D219N 9.031 179.795 117.125 2.62E+11 3.37E+12 bx L230HN-D229C-L230N 8.924 175.731 116.083 1.42E+11 1.87E+12 bx S213HN-P212C-S213N 8.969 176.804 117.327 1.30E+11 1.61E+12 bx E187HN-L186C-E187N 8.656 179.897 116.893 1.87E+11 2.78E+12 bx N239HN-Q238C-N239N 8.397 177.890 114.502 3.29E+11 3.77E+12 bx Y281HN-F280C-Y281N 8.490 176.224 116.063 1.75E+11 2.24E+12 bx S241HN-G240C-S241N 8.325 175.431 115.193 1.26E+11 1.29E+12 bx G266HN-P265C-G266N 7.371 176.863 107.094 9.80E+10 1.24E+12 bx G240HN-N239C-G240N 7.576 176.696 107.620 2.49E+11 3.14E+12 bx V195HN-V194C-V195N 7.741 176.871 110.309 1.81E+11 2.61E+12 bx S244HN-K243C-S244N 7.661 175.347 110.191 1.43E+11 1.92E+12 bx S200HN-P199C-S200N 7.644 177.276 110.538 5.48E+10 7.70E+11 bx M248HN-A247C-M248N 6.569 179.381 117.585 1.84E+11 2.39E+12 bx R202HN-G201C-R202N 7.581 173.603 120.750 8.37E+10 1.03E+12 bx A222HN-?-A222N 7.515 175.852 121.076 1.64E+11 2.35E+12 bx I193HN-A192C-I193N 7.213 179.841 113.160 2.98E+11 3.55E+12 bx I223HN-A222C-I223N 7.080 178.332 115.729 3.85E+11 4.49E+12 bx K277HN-I276C-K277N 7.369 176.478 118.431 1.22E+11 1.85E+12 bx N263HN-Y262C-N263N 7.523 174.342 113.374 1.80E+11 2.14E+12 bx K250HN-A249C-K250N 7.597 177.901 115.006 4.46E+11 4.93E+12 bx Q216HN-?-Q216N 7.138 177.354 117.320 1.51E+11 1.98E+12 bx V215HN-K214C-V215N 7.586 177.329 115.756 9.02E+11 1.23E+13 bx Y181HN-?-Y181N 7.460 179.220 114.674 2.96E+11 3.37E+12 bx E184HN-K183C-E184N 7.363 177.347 116.310 4.20E+11 4.50E+12 bx A192HN-E191C-A192N 7.387 177.049 116.496 3.48E+11 4.03E+12 bx E286HN-A285C-E286N 7.566 179.569 118.042 3.04E+11 3.25E+12 bx Y217HN-Q216C-Y217N 7.953 175.611 115.243 3.82E+11 4.28E+12 bx V194HN-I193C-V194N 8.233 178.133 115.946 1.33E+11 1.52E+12 bx V269HN-?-V269N 8.171 177.785 116.592 2.73E+11 3.00E+12 bx E264HN-N263C-E264N 8.693 173.426 118.868 4.03E+11 4.68E+12 bx T232HN-K231C-T232N 8.709 179.410 119.080 1.81E+11 2.33E+12 bx L186HN-I185C-L186N 8.724 178.173 119.784 1.48E+11 1.67E+12 bx S275HN-N274C-S275N 8.523 178.763 118.818 3.27E+11 3.92E+12 bx K257HN-A256C-K257N 8.581 178.121 120.265 3.91E+11 4.26E+12 bx I279HN-K278C-I279N 8.616 179.132 119.760 1.00E+11 1.63E+12 bx A180HN-P179C-A180N 8.259 177.404 122.120 2.16E+11 2.32E+12 bx K183HN-L182C-K183N 7.890 177.777 117.665 2.71E+11 3.52E+12 bx I185HN-E184C-I185N 7.745 179.700 120.051 3.75E+11 4.05E+12 bx Q188HN-E187C-Q188N 7.922 180.206 120.504 2.93E+11 3.36E+12 bx L189HN-Q188C-L189N 8.110 179.741 122.289 2.76E+11 3.18E+12 bx L190HN-L189C-L190N 8.135 177.563 117.434 2.10E+11 2.61E+12 bx E191HN-L190C-E191N 8.448 178.463 119.357 2.17E+11 2.54E+12 bx ?-?-? 8.526 176.409 120.578 7.37E+11 9.74E+12 bx ?-?-? 8.527 175.019 120.578 1.91E+11 2.47E+12 bx N198HN-T197C-N198N 8.522 175.013 120.735 1.56E+11 2.26E+12 bx L207HN-L207C-L207N 9.076 176.619 116.554 6.55E+11 8.80E+12 bx F208HN-L207C-F208N 7.904 176.620 115.988 2.04E+11 2.61E+12 bx S267HN-S267C-S267N 7.921 175.003 116.034 6.42E+11 1.06E+13 bx S267HN-G266C-S267N 7.921 174.263 116.034 2.14E+10 4.49E+11 bx K210HN-?-K210N 7.826 175.032 114.386 3.87E+11 4.70E+12 bx K210HN-K210C-K210N 7.826 176.451 114.386 1.91E+12 2.58E+13 bx E226HN-K225C-E226N 8.417 177.289 119.263 4.30E+11 5.37E+12 bx K231HN-L230C-K231N 8.249 179.418 122.713 8.52E+11 1.09E+13 bx K231HN-K231C-K231N 8.246 179.427 122.803 5.18E+11 8.58E+12 bx Q235HN-A234C-Q235N 8.054 180.630 117.047 2.37E+11 2.44E+12 bx Q235HN-Q235C-Q235N 8.051 176.231 117.047 5.35E+11 7.79E+12 bx Q238HN-Q238C-Q238N 7.819 177.877 117.692 7.59E+11 1.05E+13 bx Q238HN-I237C-Q238N 7.821 179.264 117.692 1.40E+11 2.08E+12 bx I237HN-R236C-I237N 7.952 178.688 119.346 1.66E+11 1.98E+12 bx H246HN-I245C-H246N 8.072 177.879 119.564 4.54E+10 5.61E+11 bx A247HN-H246C-A247N 7.756 176.576 120.493 2.80E+11 3.15E+12 bx L255HN-L254C-L255N 8.156 176.663 121.249 8.42E+10 1.41E+12 bx L255HN-L254C-L255N 8.153 176.703 121.400 1.62E+11 1.75E+12 bx L255HN-L255C-L255N 8.153 180.287 121.400 1.67E+11 2.86E+12 bx T261HN-K260C-T261N 7.979 176.226 115.911 1.86E+11 2.65E+12 bx K278HN-K277C-K278N 8.099 177.340 118.666 2.35E+11 2.82E+12 bx A273HN-A273C-A273N 8.201 178.089 120.094 4.43E+11 7.91E+12 bx A273HN-?-A273N 8.201 180.255 120.094 1.20E+11 1.36E+12 bx F280HN-I279C-F280N 8.262 178.287 119.523 1.32E+11 1.60E+12 bx K283HN-M282C-K283N 8.353 178.222 120.522 2.36E+10 5.48E+11 bx H289HN-E288C-H289N 7.791 176.628 117.722 3.24E+11 3.45E+12 bx E288HN-I287C-E288N 8.203 177.997 119.284 1.63E+11 2.20E+12 bx I287HN-I287C-I287N 7.885 178.010 117.098 4.53E+11 5.81E+12 bx I287HN-E286C-I287N 7.885 178.793 117.098 2.13E+11 2.62E+12 bx A285HN-?-A285N 7.471 176.958 118.966 2.80E+11 3.10E+12 bx K284HN-?-K284N 8.138 178.337 121.221 1.91E+11 2.48E+12 bx ; 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 . . 1H 1 1H . aliased 16 ppm . . . . . . 51326 2 2 . . 15N 15 15N . aliased 30 ppm . . . . . . 51326 2 3 . . 13C 13 CO . aliased 20 ppm . . . . . . 51326 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 1 $software_1 . . 51326 2 2 $software_2 . . 51326 2 3 $software_3 . . 51326 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 51326 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name HNCO _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 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 ; Assignment w1 w2 w3 Height Volume K250HN-K250C-K250N 7.596 179.733 115.006 -1.40E+10 -4.75E+11 bx K214HN-S213C-K214N 8.949 176.312 129.286 2.85E+12 3.62E+13 bx K225HN-I224C-K225N 7.870 174.217 125.392 5.79E+12 7.79E+13 bx E206HN-S205C-E206N 7.318 176.525 123.594 7.40E+12 1.07E+14 bx E291HN-H290C-E291N 8.124 173.907 127.295 1.81E+13 2.76E+14 bx L254HN-D253C-L254N 7.656 179.808 123.316 5.03E+12 7.64E+13 bx I252HN-D251C-I252N 7.640 178.020 123.393 4.46E+12 5.92E+13 bx I233HN-T232C-I233N 7.462 176.174 123.133 3.52E+12 5.44E+13 bx A196HN-V195C-A196N 6.734 177.151 124.142 6.09E+12 8.99E+13 bx D229HN-I228C-D229N 6.969 170.405 121.843 6.96E+12 9.01E+13 bx Y220HN-D219C-Y220N 7.649 178.060 121.843 6.24E+12 8.23E+13 bx D251HN-K250C-D251N 6.891 179.706 121.438 8.61E+12 1.05E+14 bx F270HN-V269C-F270N 7.184 176.854 121.585 5.32E+12 6.85E+13 bx A259HN-N258C-A259N 7.350 177.477 121.671 6.40E+12 8.57E+13 bx Q209HN-F208C-Q209N 7.323 175.057 120.405 9.56E+12 1.20E+14 bx L203HN-R202C-L203N 8.813 175.796 124.398 6.54E+12 8.98E+13 bx I204HN-L203C-I204N 7.854 178.885 123.672 3.48E+12 4.38E+13 bx N258HN-K257C-N258N 9.136 180.215 120.299 5.38E+12 7.76E+13 bx I245HN-S244C-I245N 9.011 173.730 120.008 2.63E+12 3.79E+13 bx I228HN-P227C-I228N 8.941 175.761 121.144 4.62E+12 5.95E+13 bx D253HN-I252C-D253N 8.848 177.759 120.834 6.60E+12 8.99E+13 bx S178HN-M177C-S178N 8.741 175.742 121.340 4.03E+12 4.97E+13 bx M282HN-Y281C-M282N 8.700 179.701 122.167 6.62E+12 8.59E+13 bx I276HN-S275C-I276N 8.437 175.332 122.554 4.78E+12 6.32E+13 bx G201HN-S200C-G201N 8.514 174.894 109.984 7.68E+12 9.56E+13 bx S205HN-I204C-S205N 9.152 177.069 111.925 3.82E+12 4.62E+13 bx T197HN-A196C-T197N 8.561 178.186 112.595 6.45E+12 8.31E+13 bx L207HN-E206C-L207N 9.078 178.850 116.507 6.10E+12 8.63E+13 bx D219HN-P218C-D219N 9.033 179.806 117.125 7.60E+12 1.16E+14 bx L230HN-D229C-L230N 8.918 175.731 116.083 3.11E+12 4.85E+13 bx S213HN-P212C-S213N 8.967 176.804 117.327 2.55E+12 3.26E+13 bx E187HN-L186C-E187N 8.656 179.871 116.893 7.06E+12 8.89E+13 bx N239HN-Q238C-N239N 8.397 177.848 114.502 9.48E+12 1.22E+14 bx Y281HN-F280C-Y281N 8.490 176.224 116.063 4.34E+12 6.05E+13 bx S241HN-G240C-S241N 8.324 175.439 115.193 8.68E+12 1.10E+14 bx G266HN-P265C-G266N 7.371 176.863 107.094 1.99E+12 2.57E+13 bx G240HN-N239C-G240N 7.575 176.680 107.620 6.68E+12 9.71E+13 bx V195HN-V194C-V195N 7.739 176.861 110.309 7.09E+12 9.03E+13 bx S244HN-K243C-S244N 7.661 175.347 110.191 7.94E+12 1.02E+14 bx S200HN-P199C-S200N 7.644 177.276 110.538 1.99E+12 2.44E+13 bx M248HN-A247C-M248N 6.569 179.381 117.585 3.74E+12 5.87E+13 bx R202HN-G201C-R202N 7.581 173.603 120.750 8.65E+12 1.11E+14 bx A222HN-?-A222N 7.515 175.852 121.076 6.60E+12 1.01E+14 bx Y221HN-Y220C-Y221N 6.902 175.855 113.915 4.55E+12 6.50E+13 bx I193HN-A192C-I193N 7.213 179.841 113.160 7.60E+12 9.68E+13 bx I223HN-A222C-I223N 7.080 178.332 115.729 7.92E+12 1.06E+14 bx K277HN-I276C-K277N 7.365 176.472 118.431 5.99E+12 7.83E+13 bx N263HN-Y262C-N263N 7.523 174.342 113.374 7.42E+12 9.49E+13 bx K250HN-A249C-K250N 7.596 177.887 115.006 8.23E+12 1.10E+14 bx Q216HN-?-Q216N 7.132 177.361 117.320 6.12E+12 8.72E+13 bx V215HN-K214C-V215N 7.589 177.314 115.756 8.11E+12 1.03E+14 bx Y181HN-?-Y181N 7.460 179.220 114.674 6.51E+12 8.42E+13 bx E184HN-K183C-E184N 7.363 177.347 116.310 1.02E+13 1.30E+14 bx A192HN-E191C-A192N 7.387 177.049 116.496 8.73E+12 1.16E+14 bx E286HN-A285C-E286N 7.566 179.569 118.042 5.53E+12 7.99E+13 bx Y217HN-Q216C-Y217N 7.953 175.611 115.243 9.36E+12 1.18E+14 bx V194HN-I193C-V194N 8.233 178.133 115.946 5.13E+12 6.78E+13 bx V269HN-?-V269N 8.171 177.785 116.592 5.99E+12 8.58E+13 bx E264HN-N263C-E264N 8.693 173.426 118.868 1.08E+13 1.30E+14 bx T232HN-K231C-T232N 8.705 179.422 119.080 4.47E+12 6.60E+13 bx L186HN-I185C-L186N 8.724 178.173 119.784 5.21E+12 6.97E+13 bx S275HN-N274C-S275N 8.523 178.763 118.818 6.25E+12 8.70E+13 bx K257HN-A256C-K257N 8.582 178.113 120.265 7.80E+12 1.01E+14 bx I279HN-K278C-I279N 8.618 179.132 119.760 4.05E+12 6.15E+13 bx A180HN-P179C-A180N 8.261 177.403 122.120 5.44E+12 7.18E+13 bx K183HN-L182C-K183N 7.888 177.747 117.665 7.88E+12 1.03E+14 bx I185HN-E184C-I185N 7.745 179.700 120.051 8.18E+12 1.09E+14 bx Q188HN-E187C-Q188N 7.919 180.206 120.504 9.88E+12 1.25E+14 bx L189HN-Q188C-L189N 8.110 179.741 122.289 5.80E+12 8.52E+13 bx L190HN-L189C-L190N 8.135 177.563 117.434 5.76E+12 7.38E+13 bx E191HN-L190C-E191N 8.448 178.463 119.357 6.99E+12 9.69E+13 bx N198HN-T197C-N198N 8.524 175.013 120.735 5.35E+12 7.50E+13 bx A234HN-I233C-A234N 8.517 177.345 120.735 5.60E+12 8.22E+13 bx F208HN-L207C-F208N 7.904 176.620 115.988 6.13E+12 8.90E+13 bx S267HN-G266C-S267N 7.921 174.263 116.034 5.85E+12 8.82E+13 bx K210HN-?-K210N 7.826 175.032 114.386 1.11E+13 1.64E+14 bx E226HN-K225C-E226N 8.417 177.289 119.263 1.08E+13 1.38E+14 bx K231HN-L230C-K231N 8.248 179.428 122.713 7.81E+12 9.34E+13 bx Q235HN-A234C-Q235N 8.054 180.630 117.047 5.73E+12 7.61E+13 bx R236HN-?-R236N 8.115 178.105 120.885 5.18E+12 7.08E+13 bx Q238HN-I237C-Q238N 7.818 179.239 117.692 5.01E+12 8.36E+13 bx I237HN-R236C-I237N 7.952 178.688 119.346 4.59E+12 6.41E+13 bx H246HN-I245C-H246N 8.073 177.852 119.564 1.66E+12 2.09E+13 bx A247HN-H246C-A247N 7.756 176.576 120.493 5.26E+12 7.74E+13 bx L255HN-L254C-L255N 8.156 176.663 121.249 3.19E+12 5.18E+13 bx L255HN-L254C-L255N 8.153 176.677 121.400 4.31E+12 5.96E+13 bx T261HN-K260C-T261N 7.979 176.226 115.911 6.29E+12 8.47E+13 bx K278HN-K277C-K278N 8.099 177.340 118.666 5.83E+12 7.78E+13 bx A273HN-?-A273N 8.200 180.283 120.094 4.65E+12 6.80E+13 bx F280HN-I279C-F280N 8.262 178.287 119.523 5.84E+12 7.19E+13 bx K283HN-M282C-K283N 8.352 178.184 120.522 1.01E+12 2.93E+13 bx H289HN-E288C-H289N 7.791 176.628 117.722 6.39E+12 8.26E+13 bx E288HN-I287C-E288N 8.203 177.997 119.284 5.30E+12 7.53E+13 bx I287HN-E286C-I287N 7.885 178.819 117.098 6.56E+12 8.45E+13 bx A285HN-?-A285N 7.471 176.958 118.966 6.93E+12 8.91E+13 bx K284HN-?-K284N 8.138 178.337 121.221 5.27E+12 6.90E+13 bx ; 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 . . 1H 1 1H . aliased 16 ppm . . . . . . 51326 3 2 . . 15N 15 15N . aliased 30 ppm . . . . . . 51326 3 3 . . 13C 13 CO . aliased 20 ppm . . . . . . 51326 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 1 $software_1 . . 51326 3 2 $software_2 . . 51326 3 3 $software_3 . . 51326 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 51326 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name CBCAcoNH _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 5 _Spectral_peak_list.Experiment_name '3D CBCA(CO)NH' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Height Volume K214HN-S213CA-K214N 8.944 57.887 129.286 6.47E+11 9.33E+12 bx K214HN-S213CB-K214N 8.949 63.653 129.286 1.46E+12 2.08E+13 bx K225HN-I224CB-K225N 7.865 33.614 125.392 4.18E+11 6.75E+12 bx K225HN-I224CA-K225N 7.869 57.465 125.392 7.77E+11 1.24E+13 bx A196HN-V195CA-A196N 6.731 60.951 124.231 1.41E+12 2.14E+13 bx A196HN-V195CB-A196N 6.725 32.192 124.231 5.32E+11 8.22E+12 bx E206HN-S205CB-E206N 7.323 64.271 123.594 1.62E+12 2.35E+13 bx E206HN-S205CA-E206N 7.320 59.438 123.594 1.29E+12 1.88E+13 bx E291HN-H290CB-E291N 8.123 30.217 127.295 7.17E+12 1.32E+14 bx E291HN-H290CA-E291N 8.121 55.995 127.295 3.81E+12 7.10E+13 bx I204HN-L203CB-I204N 7.855 41.839 123.609 7.47E+11 1.09E+13 bx I204HN-L203CA-I204N 7.856 54.979 123.609 6.71E+11 9.68E+12 bx L254HN-D253CA-L254N 7.655 57.413 123.316 7.14E+11 1.31E+13 bx L254HN-D253CB-L254N 7.655 39.574 123.316 1.34E+12 2.08E+13 bx I252HN-D251CA-I252N 7.640 56.697 123.370 5.79E+11 8.98E+12 bx I233HN-T232CA-I233N 7.466 67.184 123.133 6.14E+11 8.65E+12 bx I233HN-T232CB-I233N 7.464 68.379 123.133 7.51E+11 1.06E+13 bx D229HN-I228CB-D229N 6.967 41.226 121.843 6.05E+11 8.43E+12 bx D229HN-?-D229N 6.965 61.426 121.843 1.26E+12 1.76E+13 bx D251HN-K250CB-D251N 6.894 32.036 121.438 1.80E+12 2.50E+13 bx D251HN-K250CA-D251N 6.889 59.285 121.438 1.98E+12 2.72E+13 bx F270HN-V269CB-F270N 7.185 31.870 121.585 7.16E+11 1.04E+13 bx F270HN-V269CA-F270N 7.186 65.808 121.585 1.53E+12 2.20E+13 bx A259HN-N258CB-A259N 7.349 37.454 121.645 1.16E+12 1.81E+13 bx A259HN-N258CA-A259N 7.333 55.416 121.645 3.30E+11 6.30E+12 bx Q209HN-F208CB-Q209N 7.322 39.938 120.405 1.80E+12 2.46E+13 bx Q209HN-F208CA-Q209N 7.321 57.235 120.405 1.33E+12 1.90E+13 bx L203HN-R202CB-L203N 8.814 31.363 124.398 1.19E+12 1.63E+13 bx L203HN-R202CA-L203N 8.815 55.342 124.398 1.47E+12 2.08E+13 bx Q268HN-?-Q268N 9.020 58.121 123.641 2.74E+11 3.84E+12 bx Q268HN-S267CB-Q268N 9.023 65.384 123.641 4.29E+11 6.01E+12 bx N258HN-K257CB-N258N 9.130 32.331 120.299 8.00E+11 1.25E+13 bx N258HN-K257CA-N258N 9.134 59.629 120.299 9.71E+11 1.63E+13 bx I245HN-S244CA-I245N 9.015 56.856 120.008 6.62E+11 1.02E+13 bx I245HN-S244CB-I245N 9.015 65.626 120.008 8.47E+11 1.30E+13 bx I228HN-P227CB-I228N 8.941 33.452 121.144 9.56E+11 1.34E+13 bx I228HN-P227CA-I228N 8.945 62.633 121.144 1.16E+12 1.67E+13 bx D253HN-I252CB-D253N 8.848 33.926 120.834 5.68E+11 8.50E+12 bx D253HN-I252CA-D253N 8.851 61.142 120.834 1.29E+12 1.92E+13 bx S178HN-M177CA-S178N 8.741 55.516 121.340 2.63E+12 3.80E+13 bx S178HN-M177CB-S178N 8.739 34.076 121.340 2.12E+12 3.01E+13 bx M282HN-Y281CA-M282N 8.696 64.147 122.167 1.31E+12 1.88E+13 bx M282HN-Y281CB-M282N 8.699 37.246 122.167 1.16E+12 1.65E+13 bx I276HN-S275CA-I276N 8.436 62.517 122.554 8.57E+11 1.28E+13 bx A256HN-?-A256N 8.389 40.183 123.195 1.08E+12 1.58E+13 bx A256HN-?-A256N 8.391 57.753 123.195 8.65E+11 1.30E+13 bx G201HN-S200CA-G201N 8.514 58.827 109.984 1.99E+12 2.81E+13 bx G201HN-S200CB-G201N 8.513 63.640 109.984 2.74E+12 3.92E+13 bx S205HN-I204CB-S205N 9.145 37.749 111.925 4.09E+11 5.74E+12 bx T197HN-A196CB-T197N 8.553 19.753 112.595 2.49E+12 3.73E+13 bx T197HN-A196CA-T197N 8.563 53.441 112.595 1.55E+12 2.34E+13 bx L207HN-E206CA-L207N 9.077 60.754 116.507 1.92E+12 2.70E+13 bx L207HN-E206CB-L207N 9.074 30.381 116.507 1.27E+12 1.78E+13 bx D219HN-P218CA-D219N 9.029 65.635 117.125 2.40E+12 3.27E+13 bx D219HN-P218CB-D219N 9.028 31.024 117.125 1.57E+12 2.21E+13 bx L230HN-D229CA-L230N 8.918 52.094 116.083 5.45E+11 9.04E+12 bx L230HN-D229CB-L230N 8.915 42.818 116.083 8.81E+11 1.49E+13 bx S213HN-P212CA-S213N 8.968 61.806 117.327 1.16E+12 1.66E+13 bx S213HN-P212CB-S213N 8.970 32.275 117.327 1.08E+12 1.48E+13 bx E187HN-L186CB-E187N 8.655 40.868 116.893 8.54E+11 1.23E+13 bx E187HN-L186CA-E187N 8.656 58.503 116.893 1.40E+12 2.07E+13 bx N239HN-Q238CA-N239N 8.399 58.397 114.502 2.27E+12 3.16E+13 bx N239HN-Q238CB-N239N 8.395 28.215 114.502 2.11E+12 2.91E+13 bx Y281HN-F280CB-Y281N 8.490 39.160 116.063 9.18E+11 1.40E+13 bx Y281HN-F280CA-Y281N 8.490 62.352 116.063 1.23E+12 1.94E+13 bx S241HN-G240CA-S241N 8.322 46.638 115.193 2.88E+12 4.17E+13 bx G266HN-P265CA-G266N 7.371 63.365 107.094 8.55E+11 1.20E+13 bx G266HN-P265CB-G266N 7.372 31.356 107.094 7.73E+11 1.07E+13 bx G240HN-N239CB-G240N 7.574 38.197 107.620 2.65E+12 3.88E+13 bx G240HN-N239CA-G240N 7.575 52.250 107.620 1.11E+12 1.63E+13 bx V195HN-V194CA-V195N 7.738 65.247 110.309 1.07E+12 1.55E+13 bx V195HN-V194CB-V195N 7.738 31.770 110.309 7.14E+11 1.08E+13 bx S244HN-K243CB-S244N 7.661 31.946 110.191 1.86E+12 2.73E+13 bx S244HN-K243CA-S244N 7.660 55.340 110.191 1.99E+12 2.89E+13 bx S200HN-P199CA-S200N 7.643 65.767 110.538 1.15E+12 1.61E+13 bx M248HN-A247CB-M248N 6.568 19.128 117.585 1.69E+12 2.88E+13 bx M248HN-A247CA-M248N 6.569 55.060 117.585 1.27E+12 2.19E+13 bx Y220HN-D219CB-Y220N 7.650 39.708 121.836 2.09E+12 3.02E+13 bx Y220HN-D219CA-Y220N 7.650 55.895 121.836 1.56E+12 2.28E+13 bx A222HN-Y221CB-A222N 7.513 38.060 121.076 1.42E+12 2.07E+13 bx A222HN-Y221CA-A222N 7.515 60.233 121.076 1.01E+12 1.55E+13 bx Y221HN-Y220CB-Y221N 6.906 38.417 113.925 1.26E+12 1.73E+13 bx Y221HN-Y220CA-Y221N 6.902 62.001 113.925 1.24E+12 1.81E+13 bx I193HN-A192CA-I193N 7.213 54.625 113.160 2.08E+12 2.88E+13 bx I193HN-A192CB-I193N 7.212 17.590 113.160 2.75E+12 3.81E+13 bx I223HN-A222CB-I223N 7.081 18.787 115.729 2.92E+12 4.26E+13 bx I223HN-A222CA-I223N 7.078 53.559 115.729 2.05E+12 2.95E+13 bx A285HN-K284CB-A285N 7.473 32.937 118.990 1.09E+12 1.48E+13 bx A285HN-?-A285N 7.473 60.017 118.990 1.57E+12 2.15E+13 bx K277HN-I276CB-K277N 7.366 37.287 118.431 5.30E+11 7.81E+12 bx K277HN-I276CA-K277N 7.368 66.077 118.431 1.32E+12 1.99E+13 bx N263HN-Y262CA-N263N 7.525 60.555 113.374 1.96E+12 2.74E+13 bx N263HN-Y262CB-N263N 7.526 40.640 113.374 1.52E+12 2.17E+13 bx K250HN-A249CB-K250N 7.598 17.795 115.006 2.84E+12 3.96E+13 bx K250HN-A249CA-K250N 7.596 55.031 115.006 1.97E+12 2.82E+13 bx Y181HN-?-Y181N 7.457 18.886 114.686 2.13E+12 3.26E+13 bx V215HN-K214CA-V215N 7.588 58.968 115.756 2.05E+12 2.91E+13 bx Y181HN-A180CA-Y181N 7.458 55.262 114.674 1.79E+12 2.60E+13 bx E184HN-K183CB-E184N 7.364 32.535 116.310 1.30E+12 1.83E+13 bx E184HN-K183CA-E184N 7.364 60.601 116.310 2.06E+12 2.87E+13 bx A192HN-E191CB-A192N 7.384 29.453 116.496 1.26E+12 1.74E+13 bx A192HN-E191CA-A192N 7.386 59.168 116.496 1.79E+12 2.46E+13 bx E286HN-A285CB-E286N 7.564 17.999 118.042 2.56E+12 3.55E+13 bx E286HN-A285CA-E286N 7.566 54.505 118.042 1.68E+12 2.31E+13 bx Y217HN-Q216CA-Y217N 7.952 57.123 115.243 2.24E+12 3.25E+13 bx Y217HN-Q216CB-Y217N 7.954 30.433 115.243 2.13E+12 3.05E+13 bx V194HN-I193CB-V194N 8.235 38.644 115.946 4.63E+11 6.95E+12 bx V194HN-I193CA-V194N 8.232 64.972 115.946 1.09E+12 1.64E+13 bx V269HN-Q268CB-V269N 8.172 28.974 116.592 1.19E+12 1.69E+13 bx V269HN-Q268CA-V269N 8.173 58.762 116.592 1.76E+12 2.48E+13 bx E264HN-N263CB-E264N 8.694 41.536 118.868 1.77E+12 2.42E+13 bx E264HN-N263CA-E264N 8.691 52.456 118.868 1.60E+12 2.23E+13 bx T232HN-K231CB-T232N 8.708 31.551 119.080 1.54E+12 2.13E+13 bx T232HN-K231CA-T232N 8.708 59.794 119.080 1.63E+12 2.25E+13 bx L186HN-I185CB-L186N 8.720 37.224 119.784 5.30E+11 7.83E+12 bx L186HN-I185CA-L186N 8.722 64.271 119.784 1.36E+12 2.00E+13 bx S275HN-N274CA-S275N 8.524 55.742 118.818 1.33E+12 1.97E+13 bx S275HN-N274CB-S275N 8.525 38.201 118.818 2.27E+12 3.35E+13 bx K257HN-A256CA-K257N 8.580 54.969 120.265 1.85E+12 2.55E+13 bx I279HN-K278CB-I279N 8.616 32.543 119.760 8.36E+11 1.31E+13 bx I279HN-K278CA-I279N 8.617 60.122 119.760 9.79E+11 1.51E+13 bx A180HN-P179CA-A180N 8.262 58.712 122.120 1.21E+12 1.74E+13 bx A180HN-P179CB-A180N 8.262 31.567 122.120 6.18E+11 8.92E+12 bx K183HN-L182CB-K183N 7.888 41.277 117.665 1.17E+12 1.64E+13 bx K183HN-L182CA-K183N 7.890 57.793 117.665 1.80E+12 2.52E+13 bx I185HN-E184CB-I185N 7.746 29.492 120.051 1.73E+12 2.41E+13 bx I185HN-E184CA-I185N 7.748 59.428 120.051 1.49E+12 2.21E+13 bx Q188HN-E187CA-Q188N 7.922 60.219 120.504 1.50E+12 2.17E+13 bx Q188HN-E187CB-Q188N 7.922 29.485 120.504 1.28E+12 1.84E+13 bx L189HN-Q188CB-L189N 8.111 29.033 122.289 1.25E+12 1.74E+13 bx L189HN-Q188CA-L189N 8.111 59.190 122.289 1.83E+12 2.50E+13 bx L190HN-L189CA-L190N 8.134 58.447 117.434 1.28E+12 1.85E+13 bx L190HN-L189CB-L190N 8.133 41.208 117.434 8.17E+11 1.23E+13 bx E191HN-L190CB-E191N 8.447 41.636 119.357 7.97E+11 1.23E+13 bx E191HN-L190CA-E191N 8.445 57.453 119.357 1.60E+12 2.59E+13 bx N198HN-T197CA-N198N 8.524 59.246 120.578 9.88E+11 1.44E+13 bx N198HN-T197CB-N198N 8.520 72.327 120.578 1.01E+12 1.49E+13 bx S200HN-P199CB-S200N 7.645 31.681 110.509 6.36E+11 1.10E+13 bx R202HN-G201CA-R202N 7.581 44.843 120.742 2.81E+12 4.11E+13 bx S205HN-I204CA-S205N 9.149 64.662 111.831 9.72E+11 1.35E+13 bx F208HN-L207CB-F208N 7.899 39.768 115.960 1.15E+12 1.65E+13 bx F208HN-L207CA-F208N 7.903 55.625 115.960 1.48E+12 2.10E+13 bx K210HN-Q209CA-K210N 7.826 59.478 114.386 2.10E+12 2.89E+13 bx K210HN-Q209CB-K210N 7.826 28.721 114.386 1.73E+12 2.36E+13 bx V215HN-V215CB-V215N 7.587 32.504 115.743 2.17E+12 3.12E+13 bx Q216HN-V215CA-Q216N 7.136 64.409 117.280 2.31E+12 3.39E+13 bx Q216HN-V215CB-Q216N 7.136 32.193 117.280 1.09E+12 1.55E+13 bx E226HN-K225CB-E226N 8.415 32.606 119.263 1.97E+12 2.76E+13 bx E226HN-K225CA-E226N 8.417 57.280 119.263 2.38E+12 3.44E+13 bx K231HN-L230CB-K231N 8.246 41.659 122.713 9.84E+11 1.35E+13 bx K231HN-L230CA-K231N 8.247 57.450 122.713 1.31E+12 1.80E+13 bx A234HN-I233CB-A234N 8.520 38.736 120.797 5.63E+11 7.93E+12 bx A234HN-I233CA-A234N 8.518 65.566 120.797 1.06E+12 1.59E+13 bx Q235HN-?-Q235N 8.053 55.150 117.052 1.40E+12 1.97E+13 bx Q235HN-?-Q235N 8.053 19.230 117.047 1.89E+12 2.78E+13 bx R236HN-?-R236N 8.118 28.495 120.885 1.36E+12 1.96E+13 bx R236HN-?-R236N 8.115 58.897 120.885 1.79E+12 2.52E+13 bx Q238HN-I237CB-Q238N 7.814 38.921 117.711 4.57E+11 7.59E+12 bx Q238HN-I237CA-Q238N 7.821 65.903 117.711 1.31E+12 2.08E+13 bx Y242HN-S241CA-Y242N 7.996 61.270 118.814 1.06E+12 1.76E+13 bx Y242HN-S241CB-Y242N 7.992 63.101 118.814 2.87E+12 4.18E+13 bx H246HN-I245CA-H246N 8.070 65.133 119.564 7.91E+11 1.11E+13 bx H246HN-I245CB-H246N 8.076 37.597 119.564 4.24E+11 5.75E+12 bx A247HN-H246CB-A247N 7.758 30.201 120.493 1.88E+12 2.84E+13 bx A247HN-H246CA-A247N 7.759 58.931 120.493 1.48E+12 2.49E+13 bx I252HN-D251CB-I252N 7.636 39.839 123.420 1.10E+12 1.69E+13 bx L255HN-L254CA-L255N 8.156 57.873 121.386 1.09E+12 1.60E+13 bx A256HN-A256CB-A256N 8.392 18.757 123.228 7.55E+09 1.05E+11 bx K257HN-?-K257N 8.580 18.248 120.229 2.90E+12 4.05E+13 bx T261HN-K260CB-T261N 7.980 31.858 115.911 1.27E+12 1.76E+13 bx T261HN-K260CA-T261N 7.980 58.084 115.911 1.57E+12 2.20E+13 bx S267HN-G266CA-S267N 7.924 45.081 115.984 3.03E+12 4.39E+13 bx A273HN-?-A273N 8.201 42.595 120.058 8.24E+11 1.14E+13 bx A273HN-?-A273N 8.203 59.282 120.058 1.14E+12 1.61E+13 bx K278HN-K277CB-K278N 8.098 32.774 118.669 1.31E+12 1.88E+13 bx K278HN-K277CA-K278N 8.099 60.573 118.669 1.47E+12 2.15E+13 bx F280HN-I279CB-F280N 8.262 37.765 119.542 5.82E+11 8.04E+12 bx F280HN-I279CA-F280N 8.260 64.580 119.542 1.43E+12 1.97E+13 bx K283HN-?-K283N 8.352 29.911 120.560 7.57E+11 1.13E+13 bx K284HN-K283CB-K284N 8.141 32.921 121.232 4.67E+11 6.77E+12 bx K284HN-?-K284N 8.139 59.398 121.232 9.83E+11 1.48E+13 bx E288HN-I287CA-E288N 8.203 63.367 119.259 1.12E+12 1.66E+13 bx H289HN-E288CA-H289N 7.790 57.825 117.741 1.95E+12 2.75E+13 bx H289HN-E288CB-H289N 7.791 29.859 117.741 1.68E+12 2.32E+13 bx E288HN-I287CB-E288N 8.197 38.785 119.263 5.22E+11 1.19E+13 bx I287HN-E286CB-I287N 7.871 30.305 117.081 7.79E+11 1.20E+13 bx I287HN-E286CA-I287N 7.882 59.085 117.081 1.67E+12 2.31E+13 bx I237HN-R236CA-I237N 7.950 59.385 119.340 8.76E+11 1.43E+13 bx I237HN-R236CB-I237N 7.950 29.449 119.340 2.38E+11 3.98E+12 bx D272HN-?-D272N 9.245 32.298 122.283 7.54E+11 1.16E+13 bx D272HN-?-D272N 9.229 59.929 122.283 1.15E+12 1.73E+13 bx ; 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 . . 1H 1 1H . aliased 16 ppm . . . . . . 51326 4 2 . . 15N 15 15N . aliased 30 ppm . . . . . . 51326 4 3 . . 13C 13 'CA, CB' . aliased 60 ppm . . . . . . 51326 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 1 $software_1 . . 51326 4 2 $software_2 . . 51326 4 3 $software_3 . . 51326 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 51326 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name HNCACB _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 5 _Spectral_peak_list.Experiment_name '3D CBCA(CO)NH' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Height Volume A285HN-A285CB-A285N 7.473 18.066 118.991 8.22E+11 1.19E+13 bx A285HN-A285CA-A285N 7.473 54.686 119.000 -9.08E+11 -1.32E+13 bx G266HN-G266CA-G266N 7.369 45.165 107.145 -1.80E+11 -2.91E+12 bx G201HN-G201CA-G201N 8.512 44.973 109.989 -8.51E+11 -1.26E+13 bx T197HN-T197CB-T197N 8.556 72.327 112.599 4.88E+11 7.86E+12 bx K250HN-K250CB-K250N 7.596 32.043 115.012 7.84E+11 1.18E+13 bx A196HN-A196CA-A196N 6.735 53.363 124.131 -1.25E+12 -1.81E+13 bx A180HN-A180CB-A180N 8.260 17.906 122.110 6.65E+11 9.42E+12 bx A180HN-A180CA-A180N 8.261 55.106 122.118 -8.56E+11 -1.20E+13 bx K231HN-K231CB-K231N 8.246 31.578 122.699 5.36E+11 8.48E+12 bx K231HN-K231CA-K231N 8.246 59.991 122.698 -7.66E+11 -1.13E+13 bx S205HN-S205CA-S205N 9.147 59.603 111.861 -3.24E+11 -4.57E+12 bx S205HN-S205CB-S205N 9.148 64.284 111.858 5.02E+11 7.10E+12 bx G240HN-G240CA-G240N 7.573 46.648 107.601 -1.03E+12 -1.50E+13 bx L203HN-L203CB-L203N 8.812 41.886 124.443 4.25E+11 6.45E+12 bx I204HN-I204CB-I204N 7.854 37.914 123.620 1.99E+11 2.98E+12 bx I204HN-I204CA-I204N 7.854 64.794 123.620 -2.85E+11 -4.15E+12 bx A259HN-A259CB-A259N 7.349 19.325 121.692 7.10E+11 9.99E+12 bx A259HN-A259CA-A259N 7.348 55.254 121.688 -9.36E+11 -1.36E+13 bx A222HN-A222CB-A222N 7.516 18.806 121.100 8.21E+11 1.26E+13 bx A222HN-A222CA-A222N 7.516 53.561 121.089 -9.33E+11 -1.44E+13 bx K257HN-K257CB-K257N 8.580 32.414 120.250 4.57E+11 7.43E+12 bx S178HN-S178CA-S178N 8.739 56.564 121.384 -3.78E+11 -5.88E+12 bx S178HN-S178CB-S178N 8.739 63.108 121.351 6.25E+11 9.66E+12 bx S200HN-S200CA-S200N 7.644 58.899 110.497 -1.33E+11 -2.11E+12 bx S200HN-S200CB-S200N 7.644 63.725 110.524 2.51E+11 3.80E+12 bx E206HN-E206CB-E206N 7.321 30.407 123.616 7.17E+11 1.08E+13 bx Q268HN-Q268CB-Q268N 9.020 29.119 123.657 3.33E+10 7.60E+11 bx Q268HN-Q268CA-Q268N 9.022 58.670 123.657 -4.42E+10 -8.47E+11 bx A256HN-A256CA-A256N 8.387 55.257 123.247 -8.22E+11 -1.21E+13 bx I233HN-I233CB-I233N 7.459 38.771 123.160 2.21E+11 3.64E+12 bx K271HN-K271CB-K271N 8.003 33.701 122.421 4.11E+11 6.55E+12 bx K271HN-K271CA-K271N 8.008 57.535 122.400 -3.99E+11 -6.05E+12 bx D272HN-D272CB-D272N 9.240 40.220 122.263 5.69E+11 8.63E+12 bx D272HN-D272CA-D272N 9.241 57.935 122.259 -5.98E+11 -8.43E+12 bx M282HN-M282CB-M282N 8.697 33.030 122.209 2.93E+11 4.55E+12 bx M282HN-M282CA-M282N 8.697 59.495 122.204 -5.75E+11 -8.69E+12 bx Y220HN-Y220CB-Y220N 7.649 38.460 121.822 3.93E+11 6.02E+12 bx Y220HN-Y220CA-Y220N 7.649 62.135 121.823 -6.74E+11 -9.74E+12 bx D229HN-D229CB-D229N 6.967 42.816 121.867 8.38E+11 1.25E+13 bx F270HN-F270CB-F270N 7.184 41.030 121.549 3.60E+11 5.51E+12 bx F270HN-F270CA-F270N 7.182 61.558 121.535 -5.73E+11 -8.38E+12 bx I228HN-I228CB-I228N 8.937 41.372 121.173 3.29E+11 5.02E+12 bx I228HN-I228CA-I228N 8.936 61.656 121.073 -1.94E+11 -4.58E+12 bx I193HN-I193CB-I193N 7.211 38.715 113.081 4.93E+11 7.65E+12 bx I193HN-I193CA-I193N 7.211 65.123 113.085 -7.85E+11 -1.13E+13 bx A192HN-A192CB-A192N 7.386 17.650 116.521 1.03E+12 1.46E+13 bx A192HN-A192CA-A192N 7.386 54.808 116.525 -1.34E+12 -1.87E+13 bx S241HN-S241CA-S241N 8.327 61.340 115.061 -3.95E+11 -7.74E+12 bx N239HN-N239CB-N239N 8.396 38.225 114.472 1.37E+12 2.03E+13 bx N239HN-N239CA-N239N 8.394 52.419 114.511 -7.22E+11 -1.08E+13 bx K210HN-K210CB-K210N 7.820 36.057 114.511 8.18E+11 1.70E+13 bx N263HN-N263CB-N263N 7.522 41.600 113.397 6.81E+11 1.05E+13 bx N263HN-N263CA-N263N 7.522 52.606 113.400 -9.26E+11 -1.37E+13 bx S244HN-S244CA-S244N 7.660 56.966 110.290 -9.25E+11 -1.34E+13 bx S244HN-S244CB-S244N 7.662 65.733 110.290 1.06E+12 1.58E+13 bx V195HN-V195CA-V195N 7.737 61.057 110.290 -6.83E+11 -1.08E+13 bx V195HN-V195CB-V195N 7.739 32.144 110.290 6.19E+11 1.04E+13 bx Y221HN-Y221CB-Y221N 6.899 38.159 113.904 4.55E+11 7.13E+12 bx Y221HN-Y221CA-Y221N 6.899 60.404 113.904 -5.03E+11 -7.44E+12 bx Y181HN-Y181CB-Y181N 7.458 38.270 114.684 7.27E+11 1.15E+13 bx K250HN-K250CA-K250N 7.596 59.387 114.992 -9.71E+11 -1.41E+13 bx Y217HN-Y217CB-Y217N 7.954 37.960 115.143 5.63E+11 1.10E+13 bx Y217HN-Y217CA-Y217N 7.951 55.609 115.263 -7.27E+11 -1.05E+13 bx L207HN-L207CB-L207N 9.072 39.867 116.500 5.05E+11 8.04E+12 bx L207HN-L207CA-L207N 9.076 55.721 116.500 -6.73E+11 -9.87E+12 bx V194HN-V194CA-V194N 8.233 65.333 115.931 -6.88E+11 -1.05E+13 bx V194HN-V194CB-V194N 8.234 31.782 115.931 3.70E+11 5.95E+12 bx Y281HN-Y281CB-Y281N 8.491 37.295 115.931 3.74E+11 6.30E+12 bx Y281HN-Y281CA-Y281N 8.490 64.277 115.931 -4.72E+11 -7.99E+12 bx T261HN-T261CA-T261N 7.978 65.279 116.000 -4.20E+11 -6.78E+12 bx T261HN-T261CB-T261N 7.978 69.128 116.000 4.17E+11 7.54E+12 bx L230HN-L230CA-L230N 8.917 57.545 116.000 -3.02E+11 -4.56E+12 bx N258HN-N258CB-N258N 9.137 37.504 120.300 6.65E+11 1.02E+13 bx N258HN-N258CA-N258N 9.134 55.415 120.299 -5.49E+11 -8.27E+12 bx M248HN-M248CB-M248N 6.563 31.532 117.514 2.11E+11 3.46E+12 bx M248HN-M248CA-M248N 6.563 58.868 117.514 -4.47E+11 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-1.54E+11 -2.27E+12 bx G201HN-S200CA-G201N 8.510 58.871 109.984 -1.39E+11 -2.14E+12 bx G201HN-S200CB-G201N 8.510 63.824 109.984 1.86E+11 2.85E+12 bx T197HN-A196CB-T197N 8.545 19.870 112.595 1.48E+11 2.43E+12 bx T197HN-A196CA-T197N 8.553 53.345 112.595 -2.11E+11 -3.22E+12 bx L207HN-E206CB-L207N 9.072 30.402 116.507 2.23E+11 3.28E+12 bx L207HN-E206CA-L207N 9.078 60.855 116.507 -2.88E+11 -4.05E+12 bx D219HN-P218CB-D219N 9.023 31.035 117.125 2.23E+11 3.50E+12 bx D219HN-P218CA-D219N 9.031 65.772 117.125 -3.27E+11 -4.89E+12 bx L230HN-D229CB-L230N 8.915 42.818 116.083 1.69E+11 3.10E+12 bx L230HN-D229CA-L230N 8.918 52.282 116.083 -1.71E+11 -2.88E+12 bx S213HN-P212CA-S213N 8.968 61.933 117.327 -1.24E+11 -1.82E+12 bx S213HN-P212CB-S213N 8.968 32.415 117.327 1.11E+11 1.58E+12 bx E187HN-L186CA-E187N 8.658 58.675 116.893 -2.27E+11 -3.40E+12 bx E187HN-L186CB-E187N 8.653 40.899 116.893 1.80E+11 2.75E+12 bx N239HN-Q238CA-N239N 8.396 58.501 114.502 -2.90E+11 -4.16E+12 bx N239HN-Q238CB-N239N 8.395 28.215 114.502 2.31E+11 3.34E+12 bx Y281HN-F280CB-Y281N 8.490 39.160 116.063 1.44E+11 2.19E+12 bx Y281HN-F280CA-Y281N 8.488 62.440 116.063 -1.39E+11 -2.21E+12 bx S241HN-G240CA-S241N 8.322 46.643 115.193 -2.72E+11 -3.79E+12 bx G266HN-P265CB-G266N 7.372 31.317 107.094 5.91E+10 1.16E+12 bx G266HN-P265CA-G266N 7.372 63.477 107.094 -9.68E+10 -1.62E+12 bx G240HN-N239CB-G240N 7.574 38.197 107.620 2.65E+11 4.02E+12 bx G240HN-N239CA-G240N 7.573 52.342 107.620 -1.55E+11 -2.52E+12 bx V195HN-V194CA-V195N 7.739 65.418 110.309 -1.90E+11 -2.91E+12 bx V195HN-V194CB-V195N 7.736 31.884 110.309 3.41E+11 6.73E+12 bx S244HN-K243CB-S244N 7.663 32.060 110.191 1.33E+11 2.25E+12 bx S244HN-K243CA-S244N 7.660 55.340 110.191 -6.01E+10 -9.84E+11 bx S200HN-P199CB-S200N 7.642 31.544 110.538 4.33E+10 8.73E+11 bx M248HN-A247CB-M248N 6.568 19.128 117.585 1.50E+11 2.58E+12 bx M248HN-A247CA-M248N 6.569 55.060 117.585 -1.57E+11 -2.57E+12 bx Y220HN-D219CB-Y220N 7.650 39.781 121.836 2.53E+11 3.83E+12 bx Y220HN-D219CA-Y220N 7.646 56.005 121.836 -2.37E+11 -3.42E+12 bx A222HN-Y221CB-A222N 7.513 38.060 121.076 1.47E+11 2.33E+12 bx A222HN-Y221CA-A222N 7.516 60.395 121.076 -1.72E+11 -2.85E+12 bx Y221HN-Y220CB-Y221N 6.901 38.359 113.925 3.43E+11 5.74E+12 bx Y221HN-Y220CA-Y221N 6.899 62.069 113.925 -1.81E+11 -2.76E+12 bx I193HN-A192CA-I193N 7.210 54.774 113.160 -3.34E+11 -4.67E+12 bx I193HN-A192CB-I193N 7.212 17.590 113.160 2.73E+11 3.86E+12 bx I223HN-A222CB-I223N 7.079 18.787 115.729 2.78E+11 4.11E+12 bx I223HN-A222CA-I223N 7.078 53.559 115.729 -2.87E+11 -4.26E+12 bx A285HN-K284CB-A285N 7.473 32.937 118.990 1.68E+11 2.49E+12 bx A285HN-?-A285N 7.472 60.164 118.990 -2.28E+11 -3.34E+12 bx K277HN-I276CB-K277N 7.366 37.287 118.431 1.43E+11 2.32E+12 bx K277HN-I276CA-K277N 7.369 66.249 118.431 -1.87E+11 -3.03E+12 bx N263HN-Y262CA-N263N 7.523 60.693 113.374 -1.56E+11 -2.30E+12 bx N263HN-Y262CB-N263N 7.522 40.720 113.374 1.86E+11 2.78E+12 bx K250HN-A249CA-K250N 7.593 55.106 115.006 -3.58E+11 -5.09E+12 bx Y181HN-?-Y181N 7.459 18.918 114.686 2.41E+11 3.60E+12 bx V215HN-K214CA-V215N 7.582 59.073 115.756 -2.19E+11 -3.77E+12 bx V215HN-K214CB-V215N 7.584 32.497 115.756 6.72E+11 1.18E+13 bx Y181HN-A180CA-Y181N 7.457 55.132 114.674 -1.34E+11 -2.68E+12 bx E184HN-K183CB-E184N 7.364 32.535 116.310 2.30E+11 3.71E+12 bx E184HN-K183CA-E184N 7.364 60.732 116.310 -2.29E+11 -4.10E+12 bx A192HN-E191CB-A192N 7.384 29.453 116.496 2.23E+11 5.47E+12 bx E286HN-A285CB-E286N 7.564 17.999 118.042 2.05E+11 2.89E+12 bx E286HN-A285CA-E286N 7.563 54.662 118.042 -2.33E+11 -3.45E+12 bx Y217HN-Q216CA-Y217N 7.952 57.123 115.243 -2.81E+11 -4.32E+12 bx Y217HN-Q216CB-Y217N 7.954 30.433 115.243 2.60E+11 3.85E+12 bx V194HN-I193CB-V194N 8.235 38.751 115.946 1.33E+11 2.25E+12 bx V269HN-Q268CB-V269N 8.172 28.974 116.592 1.75E+11 2.89E+12 bx V269HN-Q268CA-V269N 8.171 58.847 116.592 -2.25E+11 -3.43E+12 bx E264HN-N263CB-E264N 8.686 41.598 118.868 3.48E+11 5.19E+12 bx E264HN-N263CA-E264N 8.692 52.605 118.868 -4.45E+11 -6.45E+12 bx T232HN-K231CB-T232N 8.708 31.551 119.080 1.47E+11 2.12E+12 bx T232HN-K231CA-T232N 8.705 59.945 119.080 -1.52E+11 -2.24E+12 bx L186HN-I185CB-L186N 8.720 37.224 119.784 1.51E+11 2.23E+12 bx L186HN-I185CA-L186N 8.721 64.381 119.784 -1.85E+11 -2.64E+12 bx S275HN-N274CA-S275N 8.524 55.892 118.818 -2.62E+11 -3.86E+12 bx S275HN-N274CB-S275N 8.523 38.269 118.818 3.42E+11 4.79E+12 bx K257HN-A256CA-K257N 8.578 55.078 120.265 -2.76E+11 -3.90E+12 bx I279HN-K278CB-I279N 8.616 32.543 119.760 1.27E+11 2.14E+12 bx I279HN-K278CA-I279N 8.617 60.218 119.760 -1.52E+11 -2.35E+12 bx A180HN-P179CA-A180N 8.261 58.790 122.120 -1.39E+11 -2.24E+12 bx A180HN-P179CB-A180N 8.264 31.480 122.120 1.04E+11 1.89E+12 bx K183HN-L182CB-K183N 7.884 41.357 117.665 1.99E+11 2.84E+12 bx K183HN-L182CA-K183N 7.886 57.897 117.665 -2.44E+11 -3.65E+12 bx I185HN-E184CB-I185N 7.745 29.513 120.051 2.21E+11 3.43E+12 bx I185HN-E184CA-I185N 7.741 59.411 120.051 -2.49E+11 -3.85E+12 bx Q188HN-E187CA-Q188N 7.920 60.369 120.504 -2.37E+11 -3.70E+12 bx Q188HN-E187CB-Q188N 7.918 29.352 120.504 6.42E+11 1.07E+13 bx L189HN-L189CB-L189N 8.108 41.303 122.289 3.55E+11 5.94E+12 bx L189HN-Q188CB-L189N 8.111 29.033 122.289 1.93E+11 3.01E+12 bx L189HN-Q188CA-L189N 8.109 59.202 122.289 -2.34E+11 -4.68E+12 bx L189HN-L189CA-L189N 8.110 58.689 122.289 -4.93E+11 -8.39E+12 bx L190HN-L189CA-L190N 8.133 58.605 117.434 -2.09E+11 -3.17E+12 bx L190HN-L189CB-L190N 8.134 41.193 117.434 2.56E+11 4.53E+12 bx E191HN-L190CB-E191N 8.447 41.636 119.357 1.78E+11 2.81E+12 bx E191HN-L190CA-E191N 8.449 57.510 119.357 -2.47E+11 -4.01E+12 bx A192HN-E191CA-A192N 7.384 59.269 116.517 -2.84E+11 -6.45E+12 bx N198HN-T197CB-N198N 8.522 72.325 120.570 1.72E+11 2.64E+12 bx N198HN-T197CA-N198N 8.523 59.200 120.578 -1.35E+11 -2.26E+12 bx S200HN-P199CA-S200N 7.648 65.819 110.509 -7.90E+10 5.11E+11 bx R202HN-G201CA-R202N 7.581 44.982 120.742 -1.96E+11 -2.99E+12 bx S205HN-I204CB-S205N 9.141 37.819 111.831 7.22E+10 1.21E+12 bx F208HN-L207CA-F208N 7.894 55.738 115.988 -1.82E+11 -2.58E+12 bx K210HN-K210CA-K210N 7.827 53.686 114.386 -1.76E+12 -2.55E+13 bx K210HN-Q209CA-K210N 7.825 59.586 114.386 -3.24E+11 -4.62E+12 bx K210HN-Q209CB-K210N 7.826 28.721 114.386 2.35E+11 3.71E+12 bx Q216HN-V215CB-Q216N 7.135 32.307 117.280 1.76E+11 2.85E+12 bx Q216HN-V215CA-Q216N 7.134 64.509 117.280 -2.02E+11 -3.19E+12 bx E226HN-K225CB-E226N 8.415 32.606 119.263 3.86E+11 5.66E+12 bx E226HN-K225CA-E226N 8.417 57.280 119.263 -3.50E+11 -5.61E+12 bx K231HN-L230CB-K231N 8.246 41.659 122.713 1.51E+11 2.32E+12 bx K231HN-L230CA-K231N 8.245 57.611 122.713 -2.13E+11 -2.88E+12 bx A234HN-I233CA-A234N 8.507 65.768 120.797 -1.94E+11 -3.01E+12 bx A234HN-I233CB-A234N 8.516 38.761 120.797 5.03E+11 8.80E+12 bx Q235HN-?-Q235N 8.053 55.236 117.056 -1.65E+11 -2.33E+12 bx Q235HN-?-Q235N 8.054 19.315 117.056 1.70E+11 2.43E+12 bx R236HN-?-R236N 8.114 28.534 120.885 1.51E+11 2.34E+12 bx R236HN-?-R236N 8.115 58.897 120.885 -1.23E+11 -2.42E+12 bx Q238HN-I237CB-Q238N 7.818 38.941 117.711 1.23E+11 2.24E+12 bx Q238HN-I237CA-Q238N 7.810 66.068 117.711 -1.58E+11 -2.63E+12 bx Y242HN-S241CA-Y242N 7.996 61.270 118.814 -1.51E+11 -2.38E+12 bx Y242HN-S241CB-Y242N 7.992 63.101 118.814 2.99E+11 4.19E+12 bx H246HN-I245CA-H246N 8.070 65.133 119.564 -5.65E+10 -7.63E+11 bx H246HN-I245CB-H246N 8.073 37.805 119.564 6.41E+10 9.13E+11 bx A247HN-H246CB-A247N 7.758 30.201 120.493 1.66E+11 2.75E+12 bx A247HN-H246CA-A247N 7.759 59.067 120.493 -1.47E+11 -3.16E+12 bx K250HN-A249CB-K250N 7.593 17.917 115.042 3.26E+11 4.85E+12 bx L255HN-L254CA-L255N 8.148 58.023 121.362 -1.07E+11 -2.29E+12 bx A256HN-A256CB-A256N 8.392 18.757 123.228 5.15E+11 8.18E+12 bx K257HN-A256CB-K257N 8.577 18.643 120.229 2.00E+10 8.29E+11 bx T261HN-K260CB-T261N 7.977 31.733 115.911 9.62E+10 1.88E+12 bx T261HN-K260CA-T261N 7.978 58.240 115.911 -8.30E+10 -1.70E+12 bx S267HN-G266CA-S267N 7.921 45.323 115.984 -1.35E+11 -2.34E+12 bx Q268HN-S267CB-Q268N 8.994 65.457 123.623 2.49E+10 4.87E+11 bx Q268HN-S267CA-Q268N 9.017 58.450 123.623 -2.21E+10 -4.89E+11 bx A273HN-?-A273N 8.201 42.595 120.058 1.29E+11 2.14E+12 bx K278HN-K277CB-K278N 8.098 32.758 118.669 5.37E+11 8.40E+12 bx K278HN-K277CA-K278N 8.099 60.534 118.669 -4.85E+11 -8.19E+12 bx F280HN-I279CB-F280N 8.256 37.898 119.542 1.53E+11 2.40E+12 bx F280HN-I279CA-F280N 8.259 64.652 119.542 -1.98E+11 -2.96E+12 bx K283HN-?-K283N 8.352 29.911 120.560 1.43E+11 2.23E+12 bx K284HN-K284CB-K284N 8.137 33.048 121.232 9.56E+10 1.56E+12 bx K284HN-K283CB-K284N 8.139 32.958 121.232 9.42E+10 1.51E+12 bx K284HN-K284CA-K284N 8.152 59.335 121.232 -3.85E+11 -7.47E+12 bx K284HN-K283CA-K284N 8.149 60.110 121.255 -4.04E+10 -9.31E+11 bx E288HN-I287CA-E288N 8.206 63.550 119.259 -1.59E+11 -2.60E+12 bx H289HN-E288CA-H289N 7.789 57.886 117.741 -2.03E+11 -3.67E+12 bx H289HN-E288CB-H289N 7.788 29.847 117.741 5.25E+11 9.34E+12 bx E288HN-I287CB-E288N 8.195 38.836 119.263 1.52E+11 3.20E+12 bx I287HN-E286CB-I287N 7.871 30.305 117.081 1.28E+11 2.02E+12 bx ?-?-? 7.882 59.085 117.081 -1.83E+11 -2.77E+12 bx I237HN-R236CB-I237N 7.954 29.489 119.340 3.60E+10 7.15E+11 bx I237HN-R236CA-I237N 7.952 59.501 119.340 -1.56E+11 -2.54E+12 bx ; 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 . . 1H 1 1H . aliased 16 ppm . . . . . . 51326 5 2 . . 15N 15 15N . aliased 30 ppm . . . . . . 51326 5 3 . . 13C 13 'CA, CB' . aliased 60 ppm . . . . . . 51326 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 1 $software_1 . . 51326 5 2 $software_2 . . 51326 5 3 $software_3 . . 51326 5 stop_ save_