data_50798 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50798 _Entry.Title ; GHR-TMD in DHPC micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-03-02 _Entry.Accession_date 2021-03-02 _Entry.Last_release_date 2021-03-02 _Entry.Original_release_date 2021-03-02 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Human GHR-TMD in 200 times molar excess DHPC, 37 C, pH 7.4' _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 Helena Steinocher . . . . 50798 2 Katrine Bugge . . . 0000-0002-6286-6243 50798 3 Birthe Kragelund . B. . 0000-0002-7454-1761 50798 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'SBiNLab, University of Copenhagen' . 50798 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50798 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 101 50798 '15N chemical shifts' 35 50798 '1H chemical shifts' 52 50798 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 . . 2021-08-10 . original BMRB . 50798 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50798 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34193419 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Order and disorder-An integrative structure of the full-length human growth hormone receptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science advances' _Citation.Journal_volume 7 _Citation.Journal_issue 27 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2375-2548 _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 eabh3805 _Citation.Page_last eabh3805 _Citation.Year 2021 _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 Noah Kassem . . . . 50798 1 2 Raul Araya-Secchi . . . . 50798 1 3 Katrine Bugge . . . . 50798 1 4 Abigail Barclay . . . . 50798 1 5 Helena Steinocher . . . . 50798 1 6 Adree Khondker . . . . 50798 1 7 Yong Wang . . . . 50798 1 8 Aneta 'J. Lenard' . . . . 50798 1 9 Jochen Burck . . . . 50798 1 10 Cagla Sahin . . . . 50798 1 11 Anne 'S. Ulrich' . . . . 50798 1 12 Michael Landreh . . . . 50798 1 13 Martin 'Cramer Pedersen' . . . . 50798 1 14 Maikel 'C. Rheinstadter' . . . . 50798 1 15 Per 'Amstrup Pedersen' . . . . 50798 1 16 Kresten Lindorff-Larsen . . . . 50798 1 17 Lise Arleth . . . . 50798 1 18 Birthe 'B. Kragelund' . . . . 50798 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50798 _Assembly.ID 1 _Assembly.Name 'TMD in micelles' _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 yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange yes _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 TMD 1 $entity_1 . . yes native yes yes . . . 50798 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50798 _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 ; GSQFTCEEDFYFPWLLIIIF GIFGLTVMLFVFLFSKQQR ; _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 39 _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 1 236 GLY . 50798 1 2 237 SER . 50798 1 3 238 GLN . 50798 1 4 239 PHE . 50798 1 5 240 THR . 50798 1 6 241 CYS . 50798 1 7 242 GLU . 50798 1 8 243 GLU . 50798 1 9 244 ASP . 50798 1 10 245 PHE . 50798 1 11 246 TYR . 50798 1 12 247 PHE . 50798 1 13 248 PRO . 50798 1 14 249 TRP . 50798 1 15 250 LEU . 50798 1 16 251 LEU . 50798 1 17 252 ILE . 50798 1 18 253 ILE . 50798 1 19 254 ILE . 50798 1 20 255 PHE . 50798 1 21 256 GLY . 50798 1 22 257 ILE . 50798 1 23 258 PHE . 50798 1 24 259 GLY . 50798 1 25 260 LEU . 50798 1 26 261 THR . 50798 1 27 262 VAL . 50798 1 28 263 MET . 50798 1 29 264 LEU . 50798 1 30 265 PHE . 50798 1 31 266 VAL . 50798 1 32 267 PHE . 50798 1 33 268 LEU . 50798 1 34 269 PHE . 50798 1 35 270 SER . 50798 1 36 271 LYS . 50798 1 37 272 GLN . 50798 1 38 273 GLN . 50798 1 39 274 ARG . 50798 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 . GLY 1 1 50798 1 . SER 2 2 50798 1 . GLN 3 3 50798 1 . PHE 4 4 50798 1 . THR 5 5 50798 1 . CYS 6 6 50798 1 . GLU 7 7 50798 1 . GLU 8 8 50798 1 . ASP 9 9 50798 1 . PHE 10 10 50798 1 . TYR 11 11 50798 1 . PHE 12 12 50798 1 . PRO 13 13 50798 1 . TRP 14 14 50798 1 . LEU 15 15 50798 1 . LEU 16 16 50798 1 . ILE 17 17 50798 1 . ILE 18 18 50798 1 . ILE 19 19 50798 1 . PHE 20 20 50798 1 . GLY 21 21 50798 1 . ILE 22 22 50798 1 . PHE 23 23 50798 1 . GLY 24 24 50798 1 . LEU 25 25 50798 1 . THR 26 26 50798 1 . VAL 27 27 50798 1 . MET 28 28 50798 1 . LEU 29 29 50798 1 . PHE 30 30 50798 1 . VAL 31 31 50798 1 . PHE 32 32 50798 1 . LEU 33 33 50798 1 . PHE 34 34 50798 1 . SER 35 35 50798 1 . LYS 36 36 50798 1 . GLN 37 37 50798 1 . GLN 38 38 50798 1 . ARG 39 39 50798 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 50798 _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 . . . . . . . . . . . . . 50798 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 50798 _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 . . pGEX . . . 50798 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50798 _Sample.ID 1 _Sample.Name 13C,15N _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM GHR-TMD. Acquired at 37C' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GHR-TMD '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 50798 1 2 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 50798 1 3 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 50798 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . '% v/v' . . . . 50798 1 5 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50798 1 6 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50798 1 7 DHPC 'natural abundance' . . . . . . 210 . . mM . . . . 50798 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 50798 _Sample_condition_list.ID 1 _Sample_condition_list.Name 13C,15N _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 50798 1 pH 7.4 . pH 50798 1 pressure 1 . atm 50798 1 temperature 310 . K 50798 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50798 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50798 1 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 50798 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '750 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 50798 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50798 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50798 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50798 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50798 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50798 1 6 '3D HNCAHC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50798 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 50798 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.251449530 . . . . . 50798 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50798 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . 50798 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 50798 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'GHR-TMD in DHPC micelles' _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 3 '3D HNCA' . . . 50798 1 4 '3D HNCACB' . . . 50798 1 5 '3D CBCA(CO)NH' . . . 50798 1 6 '3D HNCAHC' . . . 50798 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 . . 50798 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 SER CA C 13 58.468 0.000 . 1 . . . . . 237 SER CA . 50798 1 2 . 1 . 1 2 2 SER CB C 13 64.122 0.000 . 1 . . . . . 237 SER CB . 50798 1 3 . 1 . 1 3 3 GLN H H 1 8.547 0.005 . 1 . . . . . 238 GLN H . 50798 1 4 . 1 . 1 3 3 GLN C C 13 174.393 0.000 . 1 . . . . . 238 GLN C . 50798 1 5 . 1 . 1 3 3 GLN CA C 13 56.342 0.009 . 1 . . . . . 238 GLN CA . 50798 1 6 . 1 . 1 3 3 GLN CB C 13 29.522 0.108 . 1 . . . . . 238 GLN CB . 50798 1 7 . 1 . 1 3 3 GLN N N 15 121.784 0.035 . 1 . . . . . 238 GLN N . 50798 1 8 . 1 . 1 4 4 PHE H H 1 8.293 0.002 . 1 . . . . . 239 PHE H . 50798 1 9 . 1 . 1 4 4 PHE HA H 1 4.661 0.000 . 1 . . . . . 239 PHE HA . 50798 1 10 . 1 . 1 4 4 PHE HB2 H 1 2.983 0.000 . 2 . . . . . 239 PHE HB2 . 50798 1 11 . 1 . 1 4 4 PHE HB3 H 1 3.163 0.000 . 2 . . . . . 239 PHE HB3 . 50798 1 12 . 1 . 1 4 4 PHE C C 13 175.556 0.000 . 1 . . . . . 239 PHE C . 50798 1 13 . 1 . 1 4 4 PHE CA C 13 57.790 0.007 . 1 . . . . . 239 PHE CA . 50798 1 14 . 1 . 1 4 4 PHE CB C 13 39.656 0.013 . 1 . . . . . 239 PHE CB . 50798 1 15 . 1 . 1 4 4 PHE N N 15 120.055 0.047 . 1 . . . . . 239 PHE N . 50798 1 16 . 1 . 1 5 5 THR H H 1 8.101 0.002 . 1 . . . . . 240 THR H . 50798 1 17 . 1 . 1 5 5 THR HA H 1 4.674 0.000 . 1 . . . . . 240 THR HA . 50798 1 18 . 1 . 1 5 5 THR HB H 1 4.393 0.000 . 1 . . . . . 240 THR HB . 50798 1 19 . 1 . 1 5 5 THR C C 13 175.498 0.000 . 1 . . . . . 240 THR C . 50798 1 20 . 1 . 1 5 5 THR CA C 13 61.738 0.003 . 1 . . . . . 240 THR CA . 50798 1 21 . 1 . 1 5 5 THR CB C 13 70.126 0.005 . 1 . . . . . 240 THR CB . 50798 1 22 . 1 . 1 5 5 THR N N 15 114.712 0.011 . 1 . . . . . 240 THR N . 50798 1 23 . 1 . 1 6 6 CYS H H 1 8.335 0.005 . 1 . . . . . 241 CYS H . 50798 1 24 . 1 . 1 6 6 CYS HA H 1 4.658 0.000 . 1 . . . . . 241 CYS HA . 50798 1 25 . 1 . 1 6 6 CYS C C 13 174.077 0.000 . 1 . . . . . 241 CYS C . 50798 1 26 . 1 . 1 6 6 CYS CA C 13 58.361 0.002 . 1 . . . . . 241 CYS CA . 50798 1 27 . 1 . 1 6 6 CYS CB C 13 28.484 0.003 . 1 . . . . . 241 CYS CB . 50798 1 28 . 1 . 1 6 6 CYS N N 15 120.095 0.034 . 1 . . . . . 241 CYS N . 50798 1 29 . 1 . 1 7 7 GLU H H 1 8.579 0.004 . 1 . . . . . 242 GLU H . 50798 1 30 . 1 . 1 7 7 GLU C C 13 174.513 0.000 . 1 . . . . . 242 GLU C . 50798 1 31 . 1 . 1 7 7 GLU CA C 13 57.661 0.000 . 1 . . . . . 242 GLU CA . 50798 1 32 . 1 . 1 7 7 GLU CB C 13 30.008 0.000 . 1 . . . . . 242 GLU CB . 50798 1 33 . 1 . 1 7 7 GLU N N 15 122.446 0.059 . 1 . . . . . 242 GLU N . 50798 1 34 . 1 . 1 8 8 GLU H H 1 8.417 0.002 . 1 . . . . . 243 GLU H . 50798 1 35 . 1 . 1 8 8 GLU C C 13 176.927 0.000 . 1 . . . . . 243 GLU C . 50798 1 36 . 1 . 1 8 8 GLU CA C 13 57.698 0.014 . 1 . . . . . 243 GLU CA . 50798 1 37 . 1 . 1 8 8 GLU CB C 13 29.924 0.014 . 1 . . . . . 243 GLU CB . 50798 1 38 . 1 . 1 8 8 GLU N N 15 119.853 0.009 . 1 . . . . . 243 GLU N . 50798 1 39 . 1 . 1 9 9 ASP H H 1 8.135 0.006 . 1 . . . . . 244 ASP H . 50798 1 40 . 1 . 1 9 9 ASP HA H 1 4.481 0.000 . 1 . . . . . 244 ASP HA . 50798 1 41 . 1 . 1 9 9 ASP C C 13 176.517 0.000 . 1 . . . . . 244 ASP C . 50798 1 42 . 1 . 1 9 9 ASP CA C 13 55.085 0.001 . 1 . . . . . 244 ASP CA . 50798 1 43 . 1 . 1 9 9 ASP CB C 13 40.982 0.000 . 1 . . . . . 244 ASP CB . 50798 1 44 . 1 . 1 9 9 ASP N N 15 119.148 0.037 . 1 . . . . . 244 ASP N . 50798 1 45 . 1 . 1 10 10 PHE H H 1 7.982 0.002 . 1 . . . . . 245 PHE H . 50798 1 46 . 1 . 1 10 10 PHE HA H 1 4.537 0.000 . 1 . . . . . 245 PHE HA . 50798 1 47 . 1 . 1 10 10 PHE C C 13 176.358 0.000 . 1 . . . . . 245 PHE C . 50798 1 48 . 1 . 1 10 10 PHE CA C 13 58.412 0.000 . 1 . . . . . 245 PHE CA . 50798 1 49 . 1 . 1 10 10 PHE CB C 13 39.662 0.000 . 1 . . . . . 245 PHE CB . 50798 1 50 . 1 . 1 10 10 PHE N N 15 118.725 0.010 . 1 . . . . . 245 PHE N . 50798 1 51 . 1 . 1 11 11 TYR H H 1 7.823 0.002 . 1 . . . . . 246 TYR H . 50798 1 52 . 1 . 1 11 11 TYR C C 13 175.333 0.000 . 1 . . . . . 246 TYR C . 50798 1 53 . 1 . 1 11 11 TYR CA C 13 59.284 0.000 . 1 . . . . . 246 TYR CA . 50798 1 54 . 1 . 1 11 11 TYR CB C 13 38.693 0.000 . 1 . . . . . 246 TYR CB . 50798 1 55 . 1 . 1 11 11 TYR N N 15 118.967 0.074 . 1 . . . . . 246 TYR N . 50798 1 56 . 1 . 1 12 12 PHE H H 1 8.387 0.003 . 1 . . . . . 247 PHE H . 50798 1 57 . 1 . 1 12 12 PHE C C 13 176.112 0.000 . 1 . . . . . 247 PHE C . 50798 1 58 . 1 . 1 12 12 PHE N N 15 120.724 0.022 . 1 . . . . . 247 PHE N . 50798 1 59 . 1 . 1 14 14 TRP CA C 13 60.177 0.011 . 1 . . . . . 249 TRP CA . 50798 1 60 . 1 . 1 14 14 TRP CB C 13 29.759 0.000 . 1 . . . . . 249 TRP CB . 50798 1 61 . 1 . 1 15 15 LEU H H 1 8.249 0.003 . 1 . . . . . 250 LEU H . 50798 1 62 . 1 . 1 15 15 LEU C C 13 178.119 0.000 . 1 . . . . . 250 LEU C . 50798 1 63 . 1 . 1 15 15 LEU CA C 13 58.259 0.000 . 1 . . . . . 250 LEU CA . 50798 1 64 . 1 . 1 15 15 LEU CB C 13 41.694 0.000 . 1 . . . . . 250 LEU CB . 50798 1 65 . 1 . 1 15 15 LEU N N 15 118.753 0.023 . 1 . . . . . 250 LEU N . 50798 1 66 . 1 . 1 16 16 LEU H H 1 7.793 0.005 . 1 . . . . . 251 LEU H . 50798 1 67 . 1 . 1 16 16 LEU C C 13 178.461 0.000 . 1 . . . . . 251 LEU C . 50798 1 68 . 1 . 1 16 16 LEU CA C 13 58.263 0.000 . 1 . . . . . 251 LEU CA . 50798 1 69 . 1 . 1 16 16 LEU CB C 13 41.610 0.000 . 1 . . . . . 251 LEU CB . 50798 1 70 . 1 . 1 16 16 LEU N N 15 116.646 0.017 . 1 . . . . . 251 LEU N . 50798 1 71 . 1 . 1 17 17 ILE H H 1 7.831 0.004 . 1 . . . . . 252 ILE H . 50798 1 72 . 1 . 1 17 17 ILE C C 13 178.244 0.000 . 1 . . . . . 252 ILE C . 50798 1 73 . 1 . 1 17 17 ILE CA C 13 65.521 0.088 . 1 . . . . . 252 ILE CA . 50798 1 74 . 1 . 1 17 17 ILE CB C 13 37.448 0.000 . 1 . . . . . 252 ILE CB . 50798 1 75 . 1 . 1 17 17 ILE N N 15 118.061 0.021 . 1 . . . . . 252 ILE N . 50798 1 76 . 1 . 1 18 18 ILE H H 1 8.116 0.004 . 1 . . . . . 253 ILE H . 50798 1 77 . 1 . 1 18 18 ILE C C 13 177.670 0.000 . 1 . . . . . 253 ILE C . 50798 1 78 . 1 . 1 18 18 ILE N N 15 119.347 0.033 . 1 . . . . . 253 ILE N . 50798 1 79 . 1 . 1 19 19 ILE H H 1 8.364 0.004 . 1 . . . . . 254 ILE H . 50798 1 80 . 1 . 1 19 19 ILE C C 13 177.621 0.000 . 1 . . . . . 254 ILE C . 50798 1 81 . 1 . 1 19 19 ILE CA C 13 65.806 0.000 . 1 . . . . . 254 ILE CA . 50798 1 82 . 1 . 1 19 19 ILE CB C 13 37.521 0.091 . 1 . . . . . 254 ILE CB . 50798 1 83 . 1 . 1 19 19 ILE N N 15 118.964 0.033 . 1 . . . . . 254 ILE N . 50798 1 84 . 1 . 1 20 20 PHE H H 1 8.690 0.004 . 1 . . . . . 255 PHE H . 50798 1 85 . 1 . 1 20 20 PHE C C 13 177.672 0.000 . 1 . . . . . 255 PHE C . 50798 1 86 . 1 . 1 20 20 PHE CA C 13 61.609 0.048 . 1 . . . . . 255 PHE CA . 50798 1 87 . 1 . 1 20 20 PHE CB C 13 38.415 0.035 . 1 . . . . . 255 PHE CB . 50798 1 88 . 1 . 1 20 20 PHE N N 15 118.628 0.025 . 1 . . . . . 255 PHE N . 50798 1 89 . 1 . 1 21 21 GLY H H 1 8.862 0.004 . 1 . . . . . 256 GLY H . 50798 1 90 . 1 . 1 21 21 GLY C C 13 177.102 0.000 . 1 . . . . . 256 GLY C . 50798 1 91 . 1 . 1 21 21 GLY N N 15 107.863 0.009 . 1 . . . . . 256 GLY N . 50798 1 92 . 1 . 1 22 22 ILE H H 1 8.641 0.004 . 1 . . . . . 257 ILE H . 50798 1 93 . 1 . 1 22 22 ILE C C 13 174.749 0.000 . 1 . . . . . 257 ILE C . 50798 1 94 . 1 . 1 22 22 ILE CA C 13 65.569 0.000 . 1 . . . . . 257 ILE CA . 50798 1 95 . 1 . 1 22 22 ILE N N 15 121.223 0.025 . 1 . . . . . 257 ILE N . 50798 1 96 . 1 . 1 23 23 PHE H H 1 8.712 0.001 . 1 . . . . . 258 PHE H . 50798 1 97 . 1 . 1 23 23 PHE C C 13 179.185 0.000 . 1 . . . . . 258 PHE C . 50798 1 98 . 1 . 1 23 23 PHE CA C 13 61.516 0.012 . 1 . . . . . 258 PHE CA . 50798 1 99 . 1 . 1 23 23 PHE CB C 13 38.759 0.029 . 1 . . . . . 258 PHE CB . 50798 1 100 . 1 . 1 23 23 PHE N N 15 122.367 0.015 . 1 . . . . . 258 PHE N . 50798 1 101 . 1 . 1 24 24 GLY H H 1 9.033 0.005 . 1 . . . . . 259 GLY H . 50798 1 102 . 1 . 1 24 24 GLY C C 13 178.201 0.000 . 1 . . . . . 259 GLY C . 50798 1 103 . 1 . 1 24 24 GLY CA C 13 47.770 0.002 . 1 . . . . . 259 GLY CA . 50798 1 104 . 1 . 1 24 24 GLY N N 15 106.591 0.021 . 1 . . . . . 259 GLY N . 50798 1 105 . 1 . 1 25 25 LEU H H 1 8.468 0.004 . 1 . . . . . 260 LEU H . 50798 1 106 . 1 . 1 25 25 LEU C C 13 174.808 0.000 . 1 . . . . . 260 LEU C . 50798 1 107 . 1 . 1 25 25 LEU CA C 13 58.302 0.020 . 1 . . . . . 260 LEU CA . 50798 1 108 . 1 . 1 25 25 LEU CB C 13 42.261 0.000 . 1 . . . . . 260 LEU CB . 50798 1 109 . 1 . 1 25 25 LEU N N 15 120.845 0.028 . 1 . . . . . 260 LEU N . 50798 1 110 . 1 . 1 26 26 THR H H 1 8.013 0.004 . 1 . . . . . 261 THR H . 50798 1 111 . 1 . 1 26 26 THR C C 13 178.026 0.000 . 1 . . . . . 261 THR C . 50798 1 112 . 1 . 1 26 26 THR CA C 13 68.472 0.000 . 1 . . . . . 261 THR CA . 50798 1 113 . 1 . 1 26 26 THR CB C 13 67.700 0.000 . 1 . . . . . 261 THR CB . 50798 1 114 . 1 . 1 26 26 THR N N 15 115.550 0.019 . 1 . . . . . 261 THR N . 50798 1 115 . 1 . 1 27 27 VAL H H 1 8.077 0.004 . 1 . . . . . 262 VAL H . 50798 1 116 . 1 . 1 27 27 VAL C C 13 176.245 0.000 . 1 . . . . . 262 VAL C . 50798 1 117 . 1 . 1 27 27 VAL CA C 13 67.577 0.005 . 1 . . . . . 262 VAL CA . 50798 1 118 . 1 . 1 27 27 VAL CB C 13 31.342 0.084 . 1 . . . . . 262 VAL CB . 50798 1 119 . 1 . 1 27 27 VAL N N 15 120.003 0.012 . 1 . . . . . 262 VAL N . 50798 1 120 . 1 . 1 28 28 MET H H 1 8.082 0.003 . 1 . . . . . 263 MET H . 50798 1 121 . 1 . 1 28 28 MET C C 13 177.592 0.000 . 1 . . . . . 263 MET C . 50798 1 122 . 1 . 1 28 28 MET CA C 13 59.493 0.010 . 1 . . . . . 263 MET CA . 50798 1 123 . 1 . 1 28 28 MET CB C 13 32.349 0.000 . 1 . . . . . 263 MET CB . 50798 1 124 . 1 . 1 28 28 MET N N 15 117.048 0.027 . 1 . . . . . 263 MET N . 50798 1 125 . 1 . 1 29 29 LEU H H 1 8.421 0.002 . 1 . . . . . 264 LEU H . 50798 1 126 . 1 . 1 29 29 LEU C C 13 177.757 0.000 . 1 . . . . . 264 LEU C . 50798 1 127 . 1 . 1 29 29 LEU CA C 13 58.533 0.001 . 1 . . . . . 264 LEU CA . 50798 1 128 . 1 . 1 29 29 LEU CB C 13 41.589 0.033 . 1 . . . . . 264 LEU CB . 50798 1 129 . 1 . 1 29 29 LEU N N 15 119.085 0.013 . 1 . . . . . 264 LEU N . 50798 1 130 . 1 . 1 30 30 PHE H H 1 8.336 0.005 . 1 . . . . . 265 PHE H . 50798 1 131 . 1 . 1 30 30 PHE C C 13 178.406 0.000 . 1 . . . . . 265 PHE C . 50798 1 132 . 1 . 1 30 30 PHE CA C 13 62.430 0.033 . 1 . . . . . 265 PHE CA . 50798 1 133 . 1 . 1 30 30 PHE CB C 13 39.001 0.021 . 1 . . . . . 265 PHE CB . 50798 1 134 . 1 . 1 30 30 PHE N N 15 117.971 0.028 . 1 . . . . . 265 PHE N . 50798 1 135 . 1 . 1 31 31 VAL H H 1 8.629 0.005 . 1 . . . . . 266 VAL H . 50798 1 136 . 1 . 1 31 31 VAL C C 13 177.605 0.000 . 1 . . . . . 266 VAL C . 50798 1 137 . 1 . 1 31 31 VAL CA C 13 67.220 0.000 . 1 . . . . . 266 VAL CA . 50798 1 138 . 1 . 1 31 31 VAL CB C 13 31.575 0.000 . 1 . . . . . 266 VAL CB . 50798 1 139 . 1 . 1 31 31 VAL N N 15 118.779 0.014 . 1 . . . . . 266 VAL N . 50798 1 140 . 1 . 1 32 32 PHE H H 1 8.493 0.003 . 1 . . . . . 267 PHE H . 50798 1 141 . 1 . 1 32 32 PHE C C 13 178.322 0.000 . 1 . . . . . 267 PHE C . 50798 1 142 . 1 . 1 32 32 PHE CA C 13 61.481 0.029 . 1 . . . . . 267 PHE CA . 50798 1 143 . 1 . 1 32 32 PHE CB C 13 39.400 0.003 . 1 . . . . . 267 PHE CB . 50798 1 144 . 1 . 1 32 32 PHE N N 15 119.870 0.014 . 1 . . . . . 267 PHE N . 50798 1 145 . 1 . 1 33 33 LEU H H 1 8.529 0.003 . 1 . . . . . 268 LEU H . 50798 1 146 . 1 . 1 33 33 LEU C C 13 177.711 0.000 . 1 . . . . . 268 LEU C . 50798 1 147 . 1 . 1 33 33 LEU CA C 13 57.885 0.000 . 1 . . . . . 268 LEU CA . 50798 1 148 . 1 . 1 33 33 LEU CB C 13 42.174 0.032 . 1 . . . . . 268 LEU CB . 50798 1 149 . 1 . 1 33 33 LEU N N 15 118.465 0.030 . 1 . . . . . 268 LEU N . 50798 1 150 . 1 . 1 34 34 PHE H H 1 8.445 0.004 . 1 . . . . . 269 PHE H . 50798 1 151 . 1 . 1 34 34 PHE HA H 1 4.325 0.000 . 1 . . . . . 269 PHE HA . 50798 1 152 . 1 . 1 34 34 PHE C C 13 179.024 0.000 . 1 . . . . . 269 PHE C . 50798 1 153 . 1 . 1 34 34 PHE CA C 13 60.381 0.000 . 1 . . . . . 269 PHE CA . 50798 1 154 . 1 . 1 34 34 PHE CB C 13 39.283 0.003 . 1 . . . . . 269 PHE CB . 50798 1 155 . 1 . 1 34 34 PHE N N 15 117.191 0.042 . 1 . . . . . 269 PHE N . 50798 1 156 . 1 . 1 35 35 SER H H 1 8.023 0.002 . 1 . . . . . 270 SER H . 50798 1 157 . 1 . 1 35 35 SER C C 13 177.508 0.000 . 1 . . . . . 270 SER C . 50798 1 158 . 1 . 1 35 35 SER CA C 13 60.740 0.044 . 1 . . . . . 270 SER CA . 50798 1 159 . 1 . 1 35 35 SER CB C 13 63.603 0.021 . 1 . . . . . 270 SER CB . 50798 1 160 . 1 . 1 35 35 SER N N 15 114.417 0.014 . 1 . . . . . 270 SER N . 50798 1 161 . 1 . 1 36 36 LYS H H 1 7.625 0.002 . 1 . . . . . 271 LYS H . 50798 1 162 . 1 . 1 36 36 LYS HA H 1 4.228 0.000 . 1 . . . . . 271 LYS HA . 50798 1 163 . 1 . 1 36 36 LYS C C 13 175.187 0.000 . 1 . . . . . 271 LYS C . 50798 1 164 . 1 . 1 36 36 LYS CA C 13 56.429 0.000 . 1 . . . . . 271 LYS CA . 50798 1 165 . 1 . 1 36 36 LYS CB C 13 32.323 0.012 . 1 . . . . . 271 LYS CB . 50798 1 166 . 1 . 1 36 36 LYS N N 15 120.464 0.040 . 1 . . . . . 271 LYS N . 50798 1 167 . 1 . 1 37 37 GLN H H 1 7.720 0.002 . 1 . . . . . 272 GLN H . 50798 1 168 . 1 . 1 37 37 GLN HA H 1 4.256 0.024 . 1 . . . . . 272 GLN HA . 50798 1 169 . 1 . 1 37 37 GLN C C 13 176.873 0.000 . 1 . . . . . 272 GLN C . 50798 1 170 . 1 . 1 37 37 GLN CA C 13 56.170 0.000 . 1 . . . . . 272 GLN CA . 50798 1 171 . 1 . 1 37 37 GLN CB C 13 29.461 0.000 . 1 . . . . . 272 GLN CB . 50798 1 172 . 1 . 1 37 37 GLN N N 15 118.717 0.012 . 1 . . . . . 272 GLN N . 50798 1 173 . 1 . 1 38 38 GLN H H 1 8.110 0.002 . 1 . . . . . 273 GLN H . 50798 1 174 . 1 . 1 38 38 GLN HB2 H 1 1.955 0.000 . 1 . . . . . 273 GLN HB2 . 50798 1 175 . 1 . 1 38 38 GLN HG2 H 1 2.321 0.000 . 1 . . . . . 273 GLN HG2 . 50798 1 176 . 1 . 1 38 38 GLN C C 13 175.857 0.000 . 1 . . . . . 273 GLN C . 50798 1 177 . 1 . 1 38 38 GLN CA C 13 55.960 0.028 . 1 . . . . . 273 GLN CA . 50798 1 178 . 1 . 1 38 38 GLN CB C 13 29.402 0.000 . 1 . . . . . 273 GLN CB . 50798 1 179 . 1 . 1 38 38 GLN N N 15 121.005 0.040 . 1 . . . . . 273 GLN N . 50798 1 180 . 1 . 1 39 39 ARG H H 1 7.873 0.004 . 1 . . . . . 274 ARG H . 50798 1 181 . 1 . 1 39 39 ARG HA H 1 4.184 0.000 . 1 . . . . . 274 ARG HA . 50798 1 182 . 1 . 1 39 39 ARG HB2 H 1 1.863 0.000 . 1 . . . . . 274 ARG HB2 . 50798 1 183 . 1 . 1 39 39 ARG HG2 H 1 1.581 0.000 . 2 . . . . . 274 ARG HG2 . 50798 1 184 . 1 . 1 39 39 ARG HG3 H 1 1.703 0.000 . 2 . . . . . 274 ARG HG3 . 50798 1 185 . 1 . 1 39 39 ARG C C 13 174.996 0.000 . 1 . . . . . 274 ARG C . 50798 1 186 . 1 . 1 39 39 ARG CA C 13 57.460 0.000 . 1 . . . . . 274 ARG CA . 50798 1 187 . 1 . 1 39 39 ARG CB C 13 31.696 0.000 . 1 . . . . . 274 ARG CB . 50798 1 188 . 1 . 1 39 39 ARG N N 15 127.735 0.018 . 1 . . . . . 274 ARG N . 50798 1 stop_ save_