data_53360 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53360 _Entry.Title ; mhGHR(543-569) 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 543-569 of the mature modern 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 53360 2 'Birthe Brandt' Kragelund . B. . 0000-0002-7454-1761 53360 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' . 53360 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53360 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 49 53360 '15N chemical shifts' 25 53360 '1H chemical shifts' 96 53360 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 . 53360 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53358 'mhGHR(413-432) Peptide' 53360 BMRB 53359 'nGHR(413-432) Peptide' 53360 BMRB 53361 'nGHR(543-569) Peptide' 53360 BMRB 53367 'mhGHR(543-569)-pY548 Peptide' 53360 BMRB 53368 'nGHR(543-569)-pY548 Peptide' 53360 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53360 _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. . . . 53360 1 2 Miriam Berreiter M. . . . 53360 1 3 Daniel Sieme D. . . . 53360 1 4 Olivia Wootton O. . . . 53360 1 5 Xiang-Chun Ju X. C. . . 53360 1 6 Nicholas Holzwart N. E. . . 53360 1 7 'David Ziliang' Hu D. Z. . . 53360 1 8 Shu Tadaka S. . . . 53360 1 9 Makiko Taira M. . . . 53360 1 10 Kengo Kinoshita K. . . . 53360 1 11 Richard Agren R. . . . 53360 1 12 Johan Olsen J. G. . . 53360 1 13 Tomislav Maricic T. . . . 53360 1 14 Hilary Martin H. C. . . 53360 1 15 Birthe Kragelund B. B. . . 53360 1 16 Svante Paabo S. . . . 53360 1 17 Andrew Brooks A. J. . . 53360 1 18 Hugo Zeberg H. . . . 53360 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53360 _Assembly.ID 1 _Assembly.Name mhGHR(543-569) _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 . . . 53360 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53360 _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 ; NQEDIYITTESLTTAAGRPG TGEHVPG ; _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 27 _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 . . . . . . . . . . . . . . 53360 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Part of the modern human receptor for pituitary gland growth hormone (GH1) involved in regulating postnatal body growth.' 53360 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 1 543 ASN . 53360 1 2 544 GLN . 53360 1 3 545 GLU . 53360 1 4 546 ASP . 53360 1 5 547 ILE . 53360 1 6 548 TYR . 53360 1 7 549 ILE . 53360 1 8 550 THR . 53360 1 9 551 THR . 53360 1 10 552 GLU . 53360 1 11 553 SER . 53360 1 12 554 LEU . 53360 1 13 555 THR . 53360 1 14 556 THR . 53360 1 15 557 ALA . 53360 1 16 558 ALA . 53360 1 17 559 GLY . 53360 1 18 560 ARG . 53360 1 19 561 PRO . 53360 1 20 562 GLY . 53360 1 21 563 THR . 53360 1 22 564 GLY . 53360 1 23 565 GLU . 53360 1 24 566 HIS . 53360 1 25 567 VAL . 53360 1 26 568 PRO . 53360 1 27 569 GLY . 53360 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 . ASN 1 1 53360 1 . GLN 2 2 53360 1 . GLU 3 3 53360 1 . ASP 4 4 53360 1 . ILE 5 5 53360 1 . TYR 6 6 53360 1 . ILE 7 7 53360 1 . THR 8 8 53360 1 . THR 9 9 53360 1 . GLU 10 10 53360 1 . SER 11 11 53360 1 . LEU 12 12 53360 1 . THR 13 13 53360 1 . THR 14 14 53360 1 . ALA 15 15 53360 1 . ALA 16 16 53360 1 . GLY 17 17 53360 1 . ARG 18 18 53360 1 . PRO 19 19 53360 1 . GLY 20 20 53360 1 . THR 21 21 53360 1 . GLY 22 22 53360 1 . GLU 23 23 53360 1 . HIS 24 24 53360 1 . VAL 25 25 53360 1 . PRO 26 26 53360 1 . GLY 27 27 53360 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 53360 _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' 53360 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 53360 _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' . . . . . . . . . . . . . . . . 53360 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53360 _Sample.ID 1 _Sample.Name mhGHR(543-569) _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(543-569) 'natural abundance' . . 1 $entity_1 . . 1.0 . . mM . . . . 53360 1 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 53360 1 3 DSS 'natural abundance' . . . . . . 125 . . uM . . . . 53360 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 53360 1 5 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 53360 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 53360 _Sample_condition_list.ID 1 _Sample_condition_list.Name mhGHR(543-569) _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 53360 1 pH 7.3 . pH 53360 1 pressure 1 . atm 53360 1 temperature 283 . K 53360 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53360 _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' . 53360 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 53360 _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 53360 _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 . . . . . . . . . . . . . . . . . 53360 1 2 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . SOFAST-HMQC 53360 1 3 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53360 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' 53360 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' 53360 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' 53360 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 53360 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name mhGHR(543-569) _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 53360 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . 0.259 53360 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . 0.263 53360 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 53360 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name mhGHR(543-569) _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' . . . 53360 1 3 '2D 1H-13C HSQC' . . . 53360 1 4 '2D 1H-1H TOCSY' . . . 53360 1 5 '2D 1H-1H NOESY' . . . 53360 1 6 '2D 1H-1H NOESY' . . . 53360 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 . . 53360 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 ASN H H 1 8.531 0.00 . 1 . . . . . 543 ASN H . 53360 1 2 . 1 . 1 1 1 ASN HA H 1 4.697 0.00 . 1 . . . . . 543 ASN HA . 53360 1 3 . 1 . 1 1 1 ASN HB2 H 1 2.829 0.01 . 2 . . . . . 543 ASN HB2 . 53360 1 4 . 1 . 1 1 1 ASN HB3 H 1 2.745 0.00 . 2 . . . . . 543 ASN HB3 . 53360 1 5 . 1 . 1 1 1 ASN CA C 13 53.259 0.00 . 1 . . . . . 543 ASN CA . 53360 1 6 . 1 . 1 1 1 ASN CB C 13 39.073 0.00 . 1 . . . . . 543 ASN CB . 53360 1 7 . 1 . 1 1 1 ASN N N 15 124.920 0.00 . 1 . . . . . 543 ASN N . 53360 1 8 . 1 . 1 2 2 GLN H H 1 8.716 0.00 . 1 . . . . . 544 GLN H . 53360 1 9 . 1 . 1 2 2 GLN HA H 1 4.297 0.00 . 1 . . . . . 544 GLN HA . 53360 1 10 . 1 . 1 2 2 GLN HB2 H 1 2.138 0.01 . 2 . . . . . 544 GLN HB2 . 53360 1 11 . 1 . 1 2 2 GLN HB3 H 1 2.018 0.00 . 2 . . . . . 544 GLN HB3 . 53360 1 12 . 1 . 1 2 2 GLN CA C 13 56.373 0.00 . 1 . . . . . 544 GLN CA . 53360 1 13 . 1 . 1 2 2 GLN CB C 13 29.197 0.00 . 1 . . . . . 544 GLN CB . 53360 1 14 . 1 . 1 2 2 GLN N N 15 121.504 0.00 . 1 . . . . . 544 GLN N . 53360 1 15 . 1 . 1 3 3 GLU H H 1 8.610 0.00 . 1 . . . . . 545 GLU H . 53360 1 16 . 1 . 1 3 3 GLU HA H 1 4.254 0.00 . 1 . . . . . 545 GLU HA . 53360 1 17 . 1 . 1 3 3 GLU HB2 H 1 2.054 0.01 . 2 . . . . . 545 GLU HB2 . 53360 1 18 . 1 . 1 3 3 GLU HB3 H 1 1.937 0.00 . 2 . . . . . 545 GLU HB3 . 53360 1 19 . 1 . 1 3 3 GLU CA C 13 56.891 0.00 . 1 . . . . . 545 GLU CA . 53360 1 20 . 1 . 1 3 3 GLU CB C 13 30.174 0.01 . 1 . . . . . 545 GLU CB . 53360 1 21 . 1 . 1 3 3 GLU N N 15 121.397 0.00 . 1 . . . . . 545 GLU N . 53360 1 22 . 1 . 1 4 4 ASP H H 1 8.380 0.00 . 1 . . . . . 546 ASP H . 53360 1 23 . 1 . 1 4 4 ASP HA H 1 4.580 0.00 . 1 . . . . . 546 ASP HA . 53360 1 24 . 1 . 1 4 4 ASP HB2 H 1 2.675 0.01 . 2 . . . . . 546 ASP HB2 . 53360 1 25 . 1 . 1 4 4 ASP HB3 H 1 2.600 0.01 . 2 . . . . . 546 ASP HB3 . 53360 1 26 . 1 . 1 4 4 ASP CA C 13 54.522 0.00 . 1 . . . . . 546 ASP CA . 53360 1 27 . 1 . 1 4 4 ASP CB C 13 41.002 0.00 . 1 . . . . . 546 ASP CB . 53360 1 28 . 1 . 1 4 4 ASP N N 15 121.443 0.00 . 1 . . . . . 546 ASP N . 53360 1 29 . 1 . 1 5 5 ILE H H 1 7.942 0.00 . 1 . . . . . 547 ILE H . 53360 1 30 . 1 . 1 5 5 ILE HA H 1 4.094 0.00 . 1 . . . . . 547 ILE HA . 53360 1 31 . 1 . 1 5 5 ILE HB H 1 1.784 0.00 . 1 . . . . . 547 ILE HB . 53360 1 32 . 1 . 1 5 5 ILE CA C 13 61.449 0.00 . 1 . . . . . 547 ILE CA . 53360 1 33 . 1 . 1 5 5 ILE CB C 13 38.737 0.00 . 1 . . . . . 547 ILE CB . 53360 1 34 . 1 . 1 5 5 ILE N N 15 120.156 0.00 . 1 . . . . . 547 ILE N . 53360 1 35 . 1 . 1 6 6 TYR H H 1 8.338 0.00 . 1 . . . . . 548 TYR H . 53360 1 36 . 1 . 1 6 6 TYR HA H 1 4.624 0.00 . 1 . . . . . 548 TYR HA . 53360 1 37 . 1 . 1 6 6 TYR HB2 H 1 3.060 0.00 . 2 . . . . . 548 TYR HB2 . 53360 1 38 . 1 . 1 6 6 TYR HB3 H 1 2.935 0.01 . 2 . . . . . 548 TYR HB3 . 53360 1 39 . 1 . 1 6 6 TYR CA C 13 57.941 0.00 . 1 . . . . . 548 TYR CA . 53360 1 40 . 1 . 1 6 6 TYR CB C 13 38.651 0.00 . 1 . . . . . 548 TYR CB . 53360 1 41 . 1 . 1 6 6 TYR N N 15 124.455 0.00 . 1 . . . . . 548 TYR N . 53360 1 42 . 1 . 1 7 7 ILE H H 1 8.068 0.00 . 1 . . . . . 549 ILE H . 53360 1 43 . 1 . 1 7 7 ILE HA H 1 4.189 0.00 . 1 . . . . . 549 ILE HA . 53360 1 44 . 1 . 1 7 7 ILE HB H 1 1.829 0.00 . 1 . . . . . 549 ILE HB . 53360 1 45 . 1 . 1 7 7 ILE CA C 13 60.909 0.00 . 1 . . . . . 549 ILE CA . 53360 1 46 . 1 . 1 7 7 ILE CB C 13 38.777 0.00 . 1 . . . . . 549 ILE CB . 53360 1 47 . 1 . 1 7 7 ILE N N 15 123.996 0.00 . 1 . . . . . 549 ILE N . 53360 1 48 . 1 . 1 8 8 THR H H 1 8.342 0.00 . 1 . . . . . 550 THR H . 53360 1 49 . 1 . 1 8 8 THR HA H 1 4.424 0.00 . 1 . . . . . 550 THR HA . 53360 1 50 . 1 . 1 8 8 THR HB H 1 4.292 0.00 . 1 . . . . . 550 THR HB . 53360 1 51 . 1 . 1 8 8 THR CA C 13 61.676 0.00 . 1 . . . . . 550 THR CA . 53360 1 52 . 1 . 1 8 8 THR CB C 13 69.943 0.00 . 1 . . . . . 550 THR CB . 53360 1 53 . 1 . 1 8 8 THR N N 15 118.809 0.00 . 1 . . . . . 550 THR N . 53360 1 54 . 1 . 1 9 9 THR H H 1 8.328 0.00 . 1 . . . . . 551 THR H . 53360 1 55 . 1 . 1 9 9 THR HA H 1 4.312 0.00 . 1 . . . . . 551 THR HA . 53360 1 56 . 1 . 1 9 9 THR HB H 1 4.275 0.00 . 1 . . . . . 551 THR HB . 53360 1 57 . 1 . 1 9 9 THR CA C 13 62.429 0.00 . 1 . . . . . 551 THR CA . 53360 1 58 . 1 . 1 9 9 THR CB C 13 69.785 0.00 . 1 . . . . . 551 THR CB . 53360 1 59 . 1 . 1 9 9 THR N N 15 116.922 0.00 . 1 . . . . . 551 THR N . 53360 1 60 . 1 . 1 10 10 GLU H H 1 8.572 0.00 . 1 . . . . . 552 GLU H . 53360 1 61 . 1 . 1 10 10 GLU HA H 1 4.294 0.01 . 1 . . . . . 552 GLU HA . 53360 1 62 . 1 . 1 10 10 GLU HB2 H 1 2.053 0.01 . 2 . . . . . 552 GLU HB2 . 53360 1 63 . 1 . 1 10 10 GLU HB3 H 1 1.962 0.00 . 2 . . . . . 552 GLU HB3 . 53360 1 64 . 1 . 1 10 10 GLU CA C 13 57.113 0.00 . 1 . . . . . 552 GLU CA . 53360 1 65 . 1 . 1 10 10 GLU CB C 13 30.174 0.01 . 1 . . . . . 552 GLU CB . 53360 1 66 . 1 . 1 10 10 GLU N N 15 123.509 0.00 . 1 . . . . . 552 GLU N . 53360 1 67 . 1 . 1 11 11 SER H H 1 8.442 0.00 . 1 . . . . . 553 SER H . 53360 1 68 . 1 . 1 11 11 SER HA H 1 4.419 0.00 . 1 . . . . . 553 SER HA . 53360 1 69 . 1 . 1 11 11 SER HB2 H 1 3.885 0.00 . 2 . . . . . 553 SER HB2 . 53360 1 70 . 1 . 1 11 11 SER HB3 H 1 3.885 0.00 . 2 . . . . . 553 SER HB3 . 53360 1 71 . 1 . 1 11 11 SER CA C 13 58.718 0.00 . 1 . . . . . 553 SER CA . 53360 1 72 . 1 . 1 11 11 SER CB C 13 63.607 0.00 . 1 . . . . . 553 SER CB . 53360 1 73 . 1 . 1 11 11 SER N N 15 117.214 0.00 . 1 . . . . . 553 SER N . 53360 1 74 . 1 . 1 12 12 LEU H H 1 8.390 0.00 . 1 . . . . . 554 LEU H . 53360 1 75 . 1 . 1 12 12 LEU HA H 1 4.414 0.00 . 1 . . . . . 554 LEU HA . 53360 1 76 . 1 . 1 12 12 LEU HB2 H 1 1.732 0.00 . 2 . . . . . 554 LEU HB2 . 53360 1 77 . 1 . 1 12 12 LEU HB3 H 1 1.627 0.00 . 2 . . . . . 554 LEU HB3 . 53360 1 78 . 1 . 1 12 12 LEU CA C 13 55.662 0.00 . 1 . . . . . 554 LEU CA . 53360 1 79 . 1 . 1 12 12 LEU CB C 13 42.317 0.01 . 1 . . . . . 554 LEU CB . 53360 1 80 . 1 . 1 12 12 LEU N N 15 124.247 0.00 . 1 . . . . . 554 LEU N . 53360 1 81 . 1 . 1 13 13 THR H H 1 8.237 0.00 . 1 . . . . . 555 THR H . 53360 1 82 . 1 . 1 13 13 THR HA H 1 4.388 0.00 . 1 . . . . . 555 THR HA . 53360 1 83 . 1 . 1 13 13 THR HB H 1 4.266 0.00 . 1 . . . . . 555 THR HB . 53360 1 84 . 1 . 1 13 13 THR CA C 13 62.292 0.00 . 1 . . . . . 555 THR CA . 53360 1 85 . 1 . 1 13 13 THR CB C 13 69.741 0.00 . 1 . . . . . 555 THR CB . 53360 1 86 . 1 . 1 13 13 THR N N 15 114.473 0.00 . 1 . . . . . 555 THR N . 53360 1 87 . 1 . 1 14 14 THR H H 1 8.159 0.00 . 1 . . . . . 556 THR H . 53360 1 88 . 1 . 1 14 14 THR HA H 1 4.333 0.00 . 1 . . . . . 556 THR HA . 53360 1 89 . 1 . 1 14 14 THR HB H 1 4.263 0.00 . 1 . . . . . 556 THR HB . 53360 1 90 . 1 . 1 14 14 THR CA C 13 62.083 0.00 . 1 . . . . . 556 THR CA . 53360 1 91 . 1 . 1 14 14 THR CB C 13 69.718 0.00 . 1 . . . . . 556 THR CB . 53360 1 92 . 1 . 1 14 14 THR N N 15 116.448 0.00 . 1 . . . . . 556 THR N . 53360 1 93 . 1 . 1 15 15 ALA H H 1 8.376 0.00 . 1 . . . . . 557 ALA H . 53360 1 94 . 1 . 1 15 15 ALA HA H 1 4.287 0.00 . 1 . . . . . 557 ALA HA . 53360 1 95 . 1 . 1 15 15 ALA HB1 H 1 1.401 0.00 . 1 . . . . . 557 ALA HB . 53360 1 96 . 1 . 1 15 15 ALA HB2 H 1 1.401 0.00 . 1 . . . . . 557 ALA HB . 53360 1 97 . 1 . 1 15 15 ALA HB3 H 1 1.401 0.00 . 1 . . . . . 557 ALA HB . 53360 1 98 . 1 . 1 15 15 ALA CA C 13 52.757 0.00 . 1 . . . . . 557 ALA CA . 53360 1 99 . 1 . 1 15 15 ALA CB C 13 19.091 0.00 . 1 . . . . . 557 ALA CB . 53360 1 100 . 1 . 1 15 15 ALA N N 15 126.483 0.00 . 1 . . . . . 557 ALA N . 53360 1 101 . 1 . 1 16 16 ALA H H 1 8.297 0.00 . 1 . . . . . 558 ALA H . 53360 1 102 . 1 . 1 16 16 ALA HA H 1 4.297 0.01 . 1 . . . . . 558 ALA HA . 53360 1 103 . 1 . 1 16 16 ALA HB1 H 1 1.409 0.00 . 1 . . . . . 558 ALA HB . 53360 1 104 . 1 . 1 16 16 ALA HB2 H 1 1.409 0.00 . 1 . . . . . 558 ALA HB . 53360 1 105 . 1 . 1 16 16 ALA HB3 H 1 1.409 0.00 . 1 . . . . . 558 ALA HB . 53360 1 106 . 1 . 1 16 16 ALA CA C 13 52.844 0.00 . 1 . . . . . 558 ALA CA . 53360 1 107 . 1 . 1 16 16 ALA CB C 13 19.102 0.00 . 1 . . . . . 558 ALA CB . 53360 1 108 . 1 . 1 16 16 ALA N N 15 123.007 0.00 . 1 . . . . . 558 ALA N . 53360 1 109 . 1 . 1 17 17 GLY H H 1 8.351 0.00 . 1 . . . . . 559 GLY H . 53360 1 110 . 1 . 1 17 17 GLY HA2 H 1 3.956 0.01 . 2 . . . . . 559 GLY HA2 . 53360 1 111 . 1 . 1 17 17 GLY HA3 H 1 3.903 0.00 . 2 . . . . . 559 GLY HA3 . 53360 1 112 . 1 . 1 17 17 GLY CA C 13 45.069 0.00 . 1 . . . . . 559 GLY CA . 53360 1 113 . 1 . 1 17 17 GLY N N 15 107.952 0.00 . 1 . . . . . 559 GLY N . 53360 1 114 . 1 . 1 18 18 ARG H H 1 8.200 0.00 . 1 . . . . . 560 ARG H . 53360 1 115 . 1 . 1 18 18 ARG HA H 1 4.648 0.00 . 1 . . . . . 560 ARG HA . 53360 1 116 . 1 . 1 18 18 ARG HB2 H 1 1.846 0.00 . 2 . . . . . 560 ARG HB2 . 53360 1 117 . 1 . 1 18 18 ARG HB3 H 1 1.744 0.00 . 2 . . . . . 560 ARG HB3 . 53360 1 118 . 1 . 1 18 18 ARG CA C 13 54.324 0.00 . 1 . . . . . 560 ARG CA . 53360 1 119 . 1 . 1 18 18 ARG CB C 13 30.127 0.01 . 1 . . . . . 560 ARG CB . 53360 1 120 . 1 . 1 18 18 ARG N N 15 121.636 0.00 . 1 . . . . . 560 ARG N . 53360 1 121 . 1 . 1 19 19 PRO HA H 1 4.452 0.00 . 1 . . . . . 561 PRO HA . 53360 1 122 . 1 . 1 19 19 PRO HB2 H 1 2.308 0.00 . 2 . . . . . 561 PRO HB2 . 53360 1 123 . 1 . 1 19 19 PRO HB3 H 1 1.948 0.00 . 2 . . . . . 561 PRO HB3 . 53360 1 124 . 1 . 1 19 19 PRO CA C 13 63.430 0.00 . 1 . . . . . 561 PRO CA . 53360 1 125 . 1 . 1 19 19 PRO CB C 13 32.121 0.01 . 1 . . . . . 561 PRO CB . 53360 1 126 . 1 . 1 20 20 GLY H H 1 8.719 0.00 . 1 . . . . . 562 GLY H . 53360 1 127 . 1 . 1 20 20 GLY HA2 H 1 3.932 0.00 . 2 . . . . . 562 GLY HA2 . 53360 1 128 . 1 . 1 20 20 GLY HA3 H 1 4.029 0.00 . 2 . . . . . 562 GLY HA3 . 53360 1 129 . 1 . 1 20 20 GLY CA C 13 45.288 0.01 . 1 . . . . . 562 GLY CA . 53360 1 130 . 1 . 1 20 20 GLY N N 15 109.991 0.00 . 1 . . . . . 562 GLY N . 53360 1 131 . 1 . 1 21 21 THR H H 1 8.210 0.00 . 1 . . . . . 563 THR H . 53360 1 132 . 1 . 1 21 21 THR HA H 1 4.388 0.00 . 1 . . . . . 563 THR HA . 53360 1 133 . 1 . 1 21 21 THR HB H 1 4.318 0.01 . 1 . . . . . 563 THR HB . 53360 1 134 . 1 . 1 21 21 THR CA C 13 61.984 0.00 . 1 . . . . . 563 THR CA . 53360 1 135 . 1 . 1 21 21 THR CB C 13 69.963 0.00 . 1 . . . . . 563 THR CB . 53360 1 136 . 1 . 1 21 21 THR N N 15 112.786 0.00 . 1 . . . . . 563 THR N . 53360 1 137 . 1 . 1 22 22 GLY H H 1 8.627 0.00 . 1 . . . . . 564 GLY H . 53360 1 138 . 1 . 1 22 22 GLY HA2 H 1 3.945 0.00 . 2 . . . . . 564 GLY HA2 . 53360 1 139 . 1 . 1 22 22 GLY HA3 H 1 4.002 0.00 . 2 . . . . . 564 GLY HA3 . 53360 1 140 . 1 . 1 22 22 GLY CA C 13 45.284 0.01 . 1 . . . . . 564 GLY CA . 53360 1 141 . 1 . 1 22 22 GLY N N 15 111.424 0.00 . 1 . . . . . 564 GLY N . 53360 1 142 . 1 . 1 23 23 GLU H H 1 8.326 0.00 . 1 . . . . . 565 GLU H . 53360 1 143 . 1 . 1 23 23 GLU HA H 1 4.247 0.00 . 1 . . . . . 565 GLU HA . 53360 1 144 . 1 . 1 23 23 GLU HB2 H 1 1.961 0.01 . 2 . . . . . 565 GLU HB2 . 53360 1 145 . 1 . 1 23 23 GLU HB3 H 1 1.871 0.00 . 2 . . . . . 565 GLU HB3 . 53360 1 146 . 1 . 1 23 23 GLU CA C 13 56.474 0.00 . 1 . . . . . 565 GLU CA . 53360 1 147 . 1 . 1 23 23 GLU CB C 13 30.416 0.00 . 1 . . . . . 565 GLU CB . 53360 1 148 . 1 . 1 23 23 GLU N N 15 120.574 0.00 . 1 . . . . . 565 GLU N . 53360 1 149 . 1 . 1 24 24 HIS H H 1 8.601 0.00 . 1 . . . . . 566 HIS H . 53360 1 150 . 1 . 1 24 24 HIS HA H 1 4.645 0.00 . 1 . . . . . 566 HIS HA . 53360 1 151 . 1 . 1 24 24 HIS HB2 H 1 3.079 0.00 . 2 . . . . . 566 HIS HB2 . 53360 1 152 . 1 . 1 24 24 HIS HB3 H 1 3.098 0.00 . 2 . . . . . 566 HIS HB3 . 53360 1 153 . 1 . 1 24 24 HIS CB C 13 30.407 0.00 . 1 . . . . . 566 HIS CB . 53360 1 154 . 1 . 1 24 24 HIS N N 15 121.278 0.00 . 1 . . . . . 566 HIS N . 53360 1 155 . 1 . 1 25 25 VAL H H 1 8.207 0.00 . 1 . . . . . 567 VAL H . 53360 1 156 . 1 . 1 25 25 VAL HA H 1 4.389 0.00 . 1 . . . . . 567 VAL HA . 53360 1 157 . 1 . 1 25 25 VAL HB H 1 2.037 0.00 . 1 . . . . . 567 VAL HB . 53360 1 158 . 1 . 1 25 25 VAL CA C 13 59.745 0.00 . 1 . . . . . 567 VAL CA . 53360 1 159 . 1 . 1 25 25 VAL CB C 13 32.666 0.00 . 1 . . . . . 567 VAL CB . 53360 1 160 . 1 . 1 25 25 VAL N N 15 124.507 0.00 . 1 . . . . . 567 VAL N . 53360 1 161 . 1 . 1 26 26 PRO HA H 1 4.369 0.00 . 1 . . . . . 568 PRO HA . 53360 1 162 . 1 . 1 26 26 PRO HB2 H 1 2.333 0.00 . 2 . . . . . 568 PRO HB2 . 53360 1 163 . 1 . 1 26 26 PRO HB3 H 1 1.939 0.00 . 2 . . . . . 568 PRO HB3 . 53360 1 164 . 1 . 1 26 26 PRO CA C 13 63.613 0.00 . 1 . . . . . 568 PRO CA . 53360 1 165 . 1 . 1 26 26 PRO CB C 13 32.056 0.00 . 1 . . . . . 568 PRO CB . 53360 1 166 . 1 . 1 27 27 GLY H H 1 8.710 0.00 . 1 . . . . . 569 GLY H . 53360 1 167 . 1 . 1 27 27 GLY HA2 H 1 3.949 0.00 . 2 . . . . . 569 GLY HA2 . 53360 1 168 . 1 . 1 27 27 GLY HA3 H 1 3.873 0.00 . 2 . . . . . 569 GLY HA3 . 53360 1 169 . 1 . 1 27 27 GLY CA C 13 45.002 0.00 . 1 . . . . . 569 GLY CA . 53360 1 170 . 1 . 1 27 27 GLY N N 15 111.691 0.00 . 1 . . . . . 569 GLY N . 53360 1 stop_ save_