data_53358 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53358 _Entry.Title ; mhGHR(413-432) Peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-09-19 _Entry.Accession_date 2025-09-19 _Entry.Last_release_date 2025-09-19 _Entry.Original_release_date 2025-09-19 _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 ; Natural abundance chemical shift assignment of a peptide comprising the residues 413-432 of the mature human growth hormone receptor. ; _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 Daniel Sieme . . . 0000-0001-9000-9938 53358 2 'Birthe Brandt' Kragelund . B. . 0000-0002-7454-1761 53358 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Structural Biology and NMR Laboratory' . 53358 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53358 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 37 53358 '15N chemical shifts' 17 53358 '1H chemical shifts' 79 53358 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 . . 2026-08-22 . original BMRB . 53358 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53359 'nGHR(413-432) Peptide' 53358 BMRB 53360 'mhGHR(543-569) Peptide' 53358 BMRB 53361 'nGHR(543-569) Peptide' 53358 BMRB 53367 'mhGHR(543-569)-pY548 Peptide' 53358 BMRB 53368 'nGHR(543-569)-pY548 Peptide' 53358 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53358 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 42556345 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Increased signaling of the Neanderthal growth hormone receptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Curr. Biol.' _Citation.Journal_name_full 'Current biology : CB' _Citation.Journal_volume 36 _Citation.Journal_issue 16 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1879-0445 _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 4160 _Citation.Page_last 4172 _Citation.Year 2026 _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 Philipp Kanis P. . . . 53358 1 2 Miriam Berreiter M. . . . 53358 1 3 Daniel Sieme D. . . . 53358 1 4 Olivia Wootton O. . . . 53358 1 5 Xiang-Chun Ju X. C. . . 53358 1 6 Nicholas Holzwart N. E. . . 53358 1 7 'David Ziliang' Hu D. Z. . . 53358 1 8 Shu Tadaka S. . . . 53358 1 9 Makiko Taira M. . . . 53358 1 10 Kengo Kinoshita K. . . . 53358 1 11 Richard Agren R. . . . 53358 1 12 Johan Olsen J. G. . . 53358 1 13 Tomislav Maricic T. . . . 53358 1 14 Hilary Martin H. C. . . 53358 1 15 Birthe Kragelund B. B. . . 53358 1 16 Svante Paabo S. . . . 53358 1 17 Andrew Brooks A. J. . . 53358 1 18 Hugo Zeberg H. . . . 53358 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53358 _Assembly.ID 1 _Assembly.Name mhGHR(413-432) _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 mhGHR 1 $entity_1 . . yes native no no . . . 53358 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes UNP P10912 . . 'solution NMR' . . . 53358 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53358 _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 ; QNNSPYHDACPATQQPSVIQ ; _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 20 _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P10912 . GHR_HUMAN . . . . . . . . . . . . . . 53358 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Part of the receptor for pituitary gland growth hormone (GH1) involved in regulating postnatal body growth.' 53358 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 413 GLN . 53358 1 2 414 ASN . 53358 1 3 415 ASN . 53358 1 4 416 SER . 53358 1 5 417 PRO . 53358 1 6 418 TYR . 53358 1 7 419 HIS . 53358 1 8 420 ASP . 53358 1 9 421 ALA . 53358 1 10 422 CYS . 53358 1 11 423 PRO . 53358 1 12 424 ALA . 53358 1 13 425 THR . 53358 1 14 426 GLN . 53358 1 15 427 GLN . 53358 1 16 428 PRO . 53358 1 17 429 SER . 53358 1 18 430 VAL . 53358 1 19 431 ILE . 53358 1 20 432 GLN . 53358 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 . GLN 1 1 53358 1 . ASN 2 2 53358 1 . ASN 3 3 53358 1 . SER 4 4 53358 1 . PRO 5 5 53358 1 . TYR 6 6 53358 1 . HIS 7 7 53358 1 . ASP 8 8 53358 1 . ALA 9 9 53358 1 . CYS 10 10 53358 1 . PRO 11 11 53358 1 . ALA 12 12 53358 1 . THR 13 13 53358 1 . GLN 14 14 53358 1 . GLN 15 15 53358 1 . PRO 16 16 53358 1 . SER 17 17 53358 1 . VAL 18 18 53358 1 . ILE 19 19 53358 1 . GLN 20 20 53358 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 53358 _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 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . 'Synthetic peptide' 53358 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 53358 _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 . 'chemical synthesis' . . . . . . . . . . . . . . . . 53358 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53358 _Sample.ID 1 _Sample.Name mhGHR(413-432) _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 mhGHR(413-432) 'natural abundance' . . 1 $entity_1 . . 1.3 . . mM . . . . 53358 1 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 53358 1 3 DSS 'natural abundance' . . . . . . 125 . . uM . . . . 53358 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 53358 1 5 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 53358 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 53358 _Sample_condition_list.ID 1 _Sample_condition_list.Name mhGHR(413-432) _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 53358 1 pH 7.3 . pH 53358 1 pressure 1 . atm 53358 1 temperature 283 . K 53358 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53358 _Software.ID 1 _Software.Type . _Software.Name POKY _Software.Version 20240829 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53358 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 53358 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 53358 _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 '1D 1H' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53358 1 2 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . SOFAST-HMQC 53358 1 3 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53358 1 4 '2D 1H-1H TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '80 ms mixing time' 53358 1 5 '2D 1H-1H NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '80 ms mixing time' 53358 1 6 '2D 1H-1H NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '500 ms mixing time' 53358 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 53358 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name mhGHR(413-432) _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . 2.925 53358 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . 0.258 53358 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . 0.280 53358 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 53358 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name mhGHR(413-432) _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 '1D 1H' . . . 53358 1 3 '2D 1H-13C HSQC' . . . 53358 1 4 '2D 1H-1H TOCSY' . . . 53358 1 5 '2D 1H-1H NOESY' . . . 53358 1 6 '2D 1H-1H NOESY' . . . 53358 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 . . 53358 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLN H H 1 8.458 0.00 . 1 . . . . . 413 GLN H . 53358 1 2 . 1 . 1 1 1 GLN HA H 1 4.283 0.00 . 1 . . . . . 413 GLN HA . 53358 1 3 . 1 . 1 1 1 GLN HB2 H 1 2.085 0.00 . 2 . . . . . 413 GLN HB2 . 53358 1 4 . 1 . 1 1 1 GLN HB3 H 1 1.960 0.00 . 2 . . . . . 413 GLN HB3 . 53358 1 5 . 1 . 1 1 1 GLN CA C 13 56.042 0.00 . 1 . . . . . 413 GLN CA . 53358 1 6 . 1 . 1 1 1 GLN CB C 13 29.569 0.00 . 1 . . . . . 413 GLN CB . 53358 1 7 . 1 . 1 1 1 GLN N N 15 125.972 0.00 . 1 . . . . . 413 GLN N . 53358 1 8 . 1 . 1 2 2 ASN H H 1 8.682 0.00 . 1 . . . . . 414 ASN H . 53358 1 9 . 1 . 1 2 2 ASN HA H 1 4.697 0.00 . 1 . . . . . 414 ASN HA . 53358 1 10 . 1 . 1 2 2 ASN HB2 H 1 2.837 0.01 . 2 . . . . . 414 ASN HB2 . 53358 1 11 . 1 . 1 2 2 ASN HB3 H 1 2.750 0.00 . 2 . . . . . 414 ASN HB3 . 53358 1 12 . 1 . 1 2 2 ASN CA C 13 53.255 0.00 . 1 . . . . . 414 ASN CA . 53358 1 13 . 1 . 1 2 2 ASN CB C 13 38.710 0.01 . 1 . . . . . 414 ASN CB . 53358 1 14 . 1 . 1 2 2 ASN N N 15 119.828 0.00 . 1 . . . . . 414 ASN N . 53358 1 15 . 1 . 1 3 3 ASN H H 1 8.517 0.00 . 1 . . . . . 415 ASN H . 53358 1 16 . 1 . 1 3 3 ASN HA H 1 4.743 0.00 . 1 . . . . . 415 ASN HA . 53358 1 17 . 1 . 1 3 3 ASN HB2 H 1 2.825 0.01 . 2 . . . . . 415 ASN HB2 . 53358 1 18 . 1 . 1 3 3 ASN HB3 H 1 2.748 0.00 . 2 . . . . . 415 ASN HB3 . 53358 1 19 . 1 . 1 3 3 ASN CB C 13 38.880 0.00 . 1 . . . . . 415 ASN CB . 53358 1 20 . 1 . 1 3 3 ASN N N 15 119.624 0.00 . 1 . . . . . 415 ASN N . 53358 1 21 . 1 . 1 4 4 SER H H 1 8.369 0.00 . 1 . . . . . 416 SER H . 53358 1 22 . 1 . 1 4 4 SER HA H 1 4.749 0.00 . 1 . . . . . 416 SER HA . 53358 1 23 . 1 . 1 4 4 SER HB2 H 1 3.866 0.00 . 2 . . . . . 416 SER HB2 . 53358 1 24 . 1 . 1 4 4 SER HB3 H 1 3.859 0.00 . 2 . . . . . 416 SER HB3 . 53358 1 25 . 1 . 1 4 4 SER CB C 13 63.457 0.00 . 1 . . . . . 416 SER CB . 53358 1 26 . 1 . 1 4 4 SER N N 15 117.451 0.00 . 1 . . . . . 416 SER N . 53358 1 27 . 1 . 1 5 5 PRO HA H 1 4.401 0.00 . 1 . . . . . 417 PRO HA . 53358 1 28 . 1 . 1 5 5 PRO HB2 H 1 2.186 0.00 . 2 . . . . . 417 PRO HB2 . 53358 1 29 . 1 . 1 5 5 PRO HB3 H 1 2.184 0.00 . 2 . . . . . 417 PRO HB3 . 53358 1 30 . 1 . 1 5 5 PRO CA C 13 63.403 0.00 . 1 . . . . . 417 PRO CA . 53358 1 31 . 1 . 1 5 5 PRO CB C 13 31.931 0.00 . 1 . . . . . 417 PRO CB . 53358 1 32 . 1 . 1 6 6 TYR H H 1 8.164 0.00 . 1 . . . . . 418 TYR H . 53358 1 33 . 1 . 1 6 6 TYR HA H 1 4.515 0.01 . 1 . . . . . 418 TYR HA . 53358 1 34 . 1 . 1 6 6 TYR HB2 H 1 2.902 0.00 . 2 . . . . . 418 TYR HB2 . 53358 1 35 . 1 . 1 6 6 TYR HB3 H 1 3.007 0.01 . 2 . . . . . 418 TYR HB3 . 53358 1 36 . 1 . 1 6 6 TYR CA C 13 57.862 0.00 . 1 . . . . . 418 TYR CA . 53358 1 37 . 1 . 1 6 6 TYR CB C 13 38.597 0.00 . 1 . . . . . 418 TYR CB . 53358 1 38 . 1 . 1 6 6 TYR N N 15 120.096 0.00 . 1 . . . . . 418 TYR N . 53358 1 39 . 1 . 1 7 7 HIS H H 1 8.081 0.00 . 1 . . . . . 419 HIS H . 53358 1 40 . 1 . 1 7 7 HIS HA H 1 4.538 0.01 . 1 . . . . . 419 HIS HA . 53358 1 41 . 1 . 1 7 7 HIS HB2 H 1 3.031 0.00 . 2 . . . . . 419 HIS HB2 . 53358 1 42 . 1 . 1 7 7 HIS HB3 H 1 3.103 0.00 . 2 . . . . . 419 HIS HB3 . 53358 1 43 . 1 . 1 7 7 HIS CA C 13 56.089 0.00 . 1 . . . . . 419 HIS CA . 53358 1 44 . 1 . 1 7 7 HIS CB C 13 30.933 0.00 . 1 . . . . . 419 HIS CB . 53358 1 45 . 1 . 1 7 7 HIS N N 15 121.902 0.00 . 1 . . . . . 419 HIS N . 53358 1 46 . 1 . 1 8 8 ASP H H 1 8.282 0.00 . 1 . . . . . 420 ASP H . 53358 1 47 . 1 . 1 8 8 ASP HA H 1 4.506 0.00 . 1 . . . . . 420 ASP HA . 53358 1 48 . 1 . 1 8 8 ASP HB2 H 1 2.558 0.00 . 2 . . . . . 420 ASP HB2 . 53358 1 49 . 1 . 1 8 8 ASP HB3 H 1 2.671 0.01 . 2 . . . . . 420 ASP HB3 . 53358 1 50 . 1 . 1 8 8 ASP CA C 13 54.251 0.00 . 1 . . . . . 420 ASP CA . 53358 1 51 . 1 . 1 8 8 ASP CB C 13 41.136 0.00 . 1 . . . . . 420 ASP CB . 53358 1 52 . 1 . 1 8 8 ASP N N 15 122.255 0.00 . 1 . . . . . 420 ASP N . 53358 1 53 . 1 . 1 9 9 ALA H H 1 8.306 0.00 . 1 . . . . . 421 ALA H . 53358 1 54 . 1 . 1 9 9 ALA HA H 1 4.291 0.00 . 1 . . . . . 421 ALA HA . 53358 1 55 . 1 . 1 9 9 ALA HB1 H 1 1.391 0.00 . 1 . . . . . 421 ALA HB . 53358 1 56 . 1 . 1 9 9 ALA HB2 H 1 1.391 0.00 . 1 . . . . . 421 ALA HB . 53358 1 57 . 1 . 1 9 9 ALA HB3 H 1 1.391 0.00 . 1 . . . . . 421 ALA HB . 53358 1 58 . 1 . 1 9 9 ALA CA C 13 52.485 0.00 . 1 . . . . . 421 ALA CA . 53358 1 59 . 1 . 1 9 9 ALA CB C 13 19.276 0.00 . 1 . . . . . 421 ALA CB . 53358 1 60 . 1 . 1 9 9 ALA N N 15 124.546 0.00 . 1 . . . . . 421 ALA N . 53358 1 61 . 1 . 1 10 10 CYS H H 1 8.442 0.00 . 1 . . . . . 422 CYS H . 53358 1 62 . 1 . 1 10 10 CYS HA H 1 4.726 0.00 . 1 . . . . . 422 CYS HA . 53358 1 63 . 1 . 1 10 10 CYS HB2 H 1 2.917 0.01 . 2 . . . . . 422 CYS HB2 . 53358 1 64 . 1 . 1 10 10 CYS HB3 H 1 2.853 0.00 . 2 . . . . . 422 CYS HB3 . 53358 1 65 . 1 . 1 10 10 CYS CB C 13 27.419 0.00 . 1 . . . . . 422 CYS CB . 53358 1 66 . 1 . 1 10 10 CYS N N 15 120.556 0.00 . 1 . . . . . 422 CYS N . 53358 1 67 . 1 . 1 11 11 PRO HA H 1 4.410 0.00 . 1 . . . . . 423 PRO HA . 53358 1 68 . 1 . 1 11 11 PRO HB2 H 1 2.008 0.02 . 2 . . . . . 423 PRO HB2 . 53358 1 69 . 1 . 1 11 11 PRO HB3 H 1 2.030 0.00 . 2 . . . . . 423 PRO HB3 . 53358 1 70 . 1 . 1 11 11 PRO CA C 13 63.402 0.00 . 1 . . . . . 423 PRO CA . 53358 1 71 . 1 . 1 11 11 PRO CB C 13 31.380 0.00 . 1 . . . . . 423 PRO CB . 53358 1 72 . 1 . 1 12 12 ALA H H 1 8.572 0.00 . 1 . . . . . 424 ALA H . 53358 1 73 . 1 . 1 12 12 ALA HA H 1 4.338 0.00 . 1 . . . . . 424 ALA HA . 53358 1 74 . 1 . 1 12 12 ALA HB1 H 1 1.419 0.00 . 1 . . . . . 424 ALA HB . 53358 1 75 . 1 . 1 12 12 ALA HB2 H 1 1.419 0.00 . 1 . . . . . 424 ALA HB . 53358 1 76 . 1 . 1 12 12 ALA HB3 H 1 1.419 0.00 . 1 . . . . . 424 ALA HB . 53358 1 77 . 1 . 1 12 12 ALA CA C 13 52.831 0.00 . 1 . . . . . 424 ALA CA . 53358 1 78 . 1 . 1 12 12 ALA CB C 13 19.112 0.00 . 1 . . . . . 424 ALA CB . 53358 1 79 . 1 . 1 12 12 ALA N N 15 124.480 0.00 . 1 . . . . . 424 ALA N . 53358 1 80 . 1 . 1 13 13 THR H H 1 8.163 0.00 . 1 . . . . . 425 THR H . 53358 1 81 . 1 . 1 13 13 THR HA H 1 4.300 0.00 . 1 . . . . . 425 THR HA . 53358 1 82 . 1 . 1 13 13 THR HB H 1 4.221 0.00 . 1 . . . . . 425 THR HB . 53358 1 83 . 1 . 1 13 13 THR HG21 H 1 1.211 0.00 . 1 . . . . . 425 THR HG1 . 53358 1 84 . 1 . 1 13 13 THR HG22 H 1 1.211 0.00 . 1 . . . . . 425 THR HG1 . 53358 1 85 . 1 . 1 13 13 THR HG23 H 1 1.211 0.00 . 1 . . . . . 425 THR HG1 . 53358 1 86 . 1 . 1 13 13 THR CA C 13 61.906 0.00 . 1 . . . . . 425 THR CA . 53358 1 87 . 1 . 1 13 13 THR CB C 13 69.853 0.00 . 1 . . . . . 425 THR CB . 53358 1 88 . 1 . 1 13 13 THR N N 15 113.204 0.00 . 1 . . . . . 425 THR N . 53358 1 89 . 1 . 1 14 14 GLN H H 1 8.425 0.00 . 1 . . . . . 426 GLN H . 53358 1 90 . 1 . 1 14 14 GLN HA H 1 4.358 0.00 . 1 . . . . . 426 GLN HA . 53358 1 91 . 1 . 1 14 14 GLN HB2 H 1 2.088 0.00 . 2 . . . . . 426 GLN HB2 . 53358 1 92 . 1 . 1 14 14 GLN HB3 H 1 1.966 0.00 . 2 . . . . . 426 GLN HB3 . 53358 1 93 . 1 . 1 14 14 GLN CA C 13 55.606 0.00 . 1 . . . . . 426 GLN CA . 53358 1 94 . 1 . 1 14 14 GLN CB C 13 29.575 0.00 . 1 . . . . . 426 GLN CB . 53358 1 95 . 1 . 1 14 14 GLN N N 15 122.974 0.00 . 1 . . . . . 426 GLN N . 53358 1 96 . 1 . 1 15 15 GLN H H 1 8.579 0.00 . 1 . . . . . 427 GLN H . 53358 1 97 . 1 . 1 15 15 GLN HA H 1 4.604 0.00 . 1 . . . . . 427 GLN HA . 53358 1 98 . 1 . 1 15 15 GLN HB2 H 1 2.112 0.01 . 2 . . . . . 427 GLN HB2 . 53358 1 99 . 1 . 1 15 15 GLN HB3 H 1 1.933 0.00 . 2 . . . . . 427 GLN HB3 . 53358 1 100 . 1 . 1 15 15 GLN CA C 13 53.723 0.00 . 1 . . . . . 427 GLN CA . 53358 1 101 . 1 . 1 15 15 GLN CB C 13 28.776 0.00 . 1 . . . . . 427 GLN CB . 53358 1 102 . 1 . 1 15 15 GLN N N 15 123.503 0.00 . 1 . . . . . 427 GLN N . 53358 1 103 . 1 . 1 16 16 PRO HA H 1 4.461 0.00 . 1 . . . . . 428 PRO HA . 53358 1 104 . 1 . 1 16 16 PRO HB2 H 1 2.025 0.00 . 2 . . . . . 428 PRO HB2 . 53358 1 105 . 1 . 1 16 16 PRO HB3 H 1 2.037 0.01 . 2 . . . . . 428 PRO HB3 . 53358 1 106 . 1 . 1 16 16 PRO CA C 13 63.217 0.00 . 1 . . . . . 428 PRO CA . 53358 1 107 . 1 . 1 16 16 PRO CB C 13 31.381 0.00 . 1 . . . . . 428 PRO CB . 53358 1 108 . 1 . 1 17 17 SER H H 1 8.559 0.00 . 1 . . . . . 429 SER H . 53358 1 109 . 1 . 1 17 17 SER HA H 1 4.447 0.00 . 1 . . . . . 429 SER HA . 53358 1 110 . 1 . 1 17 17 SER HB2 H 1 3.865 0.00 . 2 . . . . . 429 SER HB2 . 53358 1 111 . 1 . 1 17 17 SER HB3 H 1 3.860 0.00 . 2 . . . . . 429 SER HB3 . 53358 1 112 . 1 . 1 17 17 SER CA C 13 58.437 0.00 . 1 . . . . . 429 SER CA . 53358 1 113 . 1 . 1 17 17 SER CB C 13 63.724 0.00 . 1 . . . . . 429 SER CB . 53358 1 114 . 1 . 1 17 17 SER N N 15 116.738 0.00 . 1 . . . . . 429 SER N . 53358 1 115 . 1 . 1 18 18 VAL H H 1 8.289 0.00 . 1 . . . . . 430 VAL H . 53358 1 116 . 1 . 1 18 18 VAL HA H 1 4.143 0.00 . 1 . . . . . 430 VAL HA . 53358 1 117 . 1 . 1 18 18 VAL HB H 1 2.075 0.00 . 1 . . . . . 430 VAL HB . 53358 1 118 . 1 . 1 18 18 VAL CA C 13 62.378 0.00 . 1 . . . . . 430 VAL CA . 53358 1 119 . 1 . 1 18 18 VAL CB C 13 32.849 0.00 . 1 . . . . . 430 VAL CB . 53358 1 120 . 1 . 1 18 18 VAL N N 15 122.607 0.00 . 1 . . . . . 430 VAL N . 53358 1 121 . 1 . 1 19 19 ILE H H 1 8.361 0.00 . 1 . . . . . 431 ILE H . 53358 1 122 . 1 . 1 19 19 ILE HA H 1 4.144 0.00 . 1 . . . . . 431 ILE HA . 53358 1 123 . 1 . 1 19 19 ILE HB H 1 1.853 0.00 . 1 . . . . . 431 ILE HB . 53358 1 124 . 1 . 1 19 19 ILE CA C 13 61.068 0.00 . 1 . . . . . 431 ILE CA . 53358 1 125 . 1 . 1 19 19 ILE CB C 13 38.446 0.00 . 1 . . . . . 431 ILE CB . 53358 1 126 . 1 . 1 19 19 ILE N N 15 125.557 0.00 . 1 . . . . . 431 ILE N . 53358 1 127 . 1 . 1 20 20 GLN H H 1 8.582 0.00 . 1 . . . . . 432 GLN H . 53358 1 128 . 1 . 1 20 20 GLN HA H 1 4.287 0.00 . 1 . . . . . 432 GLN HA . 53358 1 129 . 1 . 1 20 20 GLN HB2 H 1 2.119 0.00 . 2 . . . . . 432 GLN HB2 . 53358 1 130 . 1 . 1 20 20 GLN HB3 H 1 1.986 0.00 . 2 . . . . . 432 GLN HB3 . 53358 1 131 . 1 . 1 20 20 GLN CA C 13 55.667 0.00 . 1 . . . . . 432 GLN CA . 53358 1 132 . 1 . 1 20 20 GLN CB C 13 29.571 0.01 . 1 . . . . . 432 GLN CB . 53358 1 133 . 1 . 1 20 20 GLN N N 15 126.032 0.00 . 1 . . . . . 432 GLN N . 53358 1 stop_ save_