data_19 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19 _Entry.Title ; Secondary Structure Determination of Human Beta-Endorphin by 1H NMR Spectroscopy ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Olivier Lichtarge . . . 19 2 Oleg Jardetzky . . . 19 3 Choh Li . Hao . 19 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 200 19 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 4 . . 2010-06-09 . revision BMRB 'Complete natural source information' 19 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 19 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 19 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 19 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Lichtarge, Olivier, Jardetzky, Oleg, Li, Choh Hao, "Secondary Structure Determination of Human Beta-Endorphin by 1H NMR Spectroscopy," Biochemistry 26 (18), 5916-5925 (1987). ; _Citation.Title 'Secondary Structure Determination of Human Beta-Endorphin by 1H NMR Spectroscopy' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 26 _Citation.Journal_issue 18 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 5916 _Citation.Page_last 5925 _Citation.Year 1987 _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.Entry_ID _Citation_author.Citation_ID 1 Olivier Lichtarge . . . 19 1 2 Oleg Jardetzky . . . 19 1 3 Choh Li . Hao . 19 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_beta-endorphin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_beta-endorphin _Assembly.Entry_ID 19 _Assembly.ID 1 _Assembly.Name beta-endorphin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _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 beta-endorphin 1 $beta-endorphin . . . . . . . . . 19 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID beta-endorphin system 19 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_beta-endorphin _Entity.Sf_category entity _Entity.Sf_framecode beta-endorphin _Entity.Entry_ID 19 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name beta-endorphin _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 ; YGGFMTSEKSQTPLVTLFKN AIIKNAYKKGE ; _Entity.Polymer_seq_one_letter_code ; YGGFMTSEKSQTPLVTLFKN AIIKNAYKKGE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 31 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 2015-11-25 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 no DBJ BAJ17953 . "proopiomelanocortin [synthetic construct]" . . . . . 100.00 267 100.00 100.00 8.50e-12 . . . . 19 1 2 no EMBL CAA24754 . "proopiomelanocortin [Homo sapiens]" . . . . . 100.00 267 100.00 100.00 8.50e-12 . . . . 19 1 3 no EMBL CAG46625 . "POMC [Homo sapiens]" . . . . . 100.00 267 100.00 100.00 7.21e-12 . . . . 19 1 4 no GB AAA35799 . "pro-opiomelanocortin, partial [Homo sapiens]" . . . . . 64.52 22 100.00 100.00 2.22e-04 . . . . 19 1 5 no GB AAA60140 . "proopiomelanocortin precursor, partial [Homo sapiens]" . . . . . 100.00 262 100.00 100.00 1.05e-11 . . . . 19 1 6 no GB AAB59621 . "opiomelanocortin [Homo sapiens]" . . . . . 100.00 267 100.00 100.00 8.50e-12 . . . . 19 1 7 no GB AAH65832 . "POMC protein [Homo sapiens]" . . . . . 100.00 267 100.00 100.00 8.50e-12 . . . . 19 1 8 no GB AAP20863 . "pituitary proopiomelanocortin [Mesocricetus auratus]" . . . . . 70.97 101 100.00 100.00 3.30e-05 . . . . 19 1 9 no PRF 0703235A . "lipotropin beta" . . . . . 100.00 89 100.00 100.00 3.29e-12 . . . . 19 1 10 no PRF 0811212A . "lipotropin beta" . . . . . 100.00 89 100.00 100.00 2.44e-12 . . . . 19 1 11 no PRF 760997A . "lipotropin beta" . . . . . 100.00 91 100.00 100.00 3.49e-12 . . . . 19 1 12 no PRF 761141A . "endorphin alpha" . . . . . 51.61 16 100.00 100.00 2.90e-01 . . . . 19 1 13 no PRF 764134A . "endorphin beta" . . . . . 100.00 31 100.00 100.00 2.62e-12 . . . . 19 1 14 no REF NP_000930 . "pro-opiomelanocortin preproprotein [Homo sapiens]" . . . . . 100.00 267 100.00 100.00 8.50e-12 . . . . 19 1 15 no REF NP_001030333 . "pro-opiomelanocortin preproprotein [Homo sapiens]" . . . . . 100.00 267 100.00 100.00 8.50e-12 . . . . 19 1 16 no REF XP_001147888 . "PREDICTED: pro-opiomelanocortin [Pan troglodytes]" . . . . . 100.00 268 100.00 100.00 1.12e-11 . . . . 19 1 17 no REF XP_003270825 . "PREDICTED: pro-opiomelanocortin [Nomascus leucogenys]" . . . . . 100.00 275 100.00 100.00 1.64e-11 . . . . 19 1 18 no REF XP_004028985 . "PREDICTED: pro-opiomelanocortin isoform 1 [Gorilla gorilla gorilla]" . . . . . 100.00 267 100.00 100.00 1.07e-11 . . . . 19 1 19 no SP P01189 . "RecName: Full=Pro-opiomelanocortin; Short=POMC; AltName: Full=Corticotropin-lipotropin; Contains: RecName: Full=NPP; Contains: " . . . . . 100.00 267 100.00 100.00 8.50e-12 . . . . 19 1 20 no SP P21252 . "RecName: Full=Pro-opiomelanocortin; Short=POMC; AltName: Full=Corticotropin-lipotropin; Contains: RecName: Full=Corticotropin; " . . . . . 96.77 134 100.00 100.00 2.44e-11 . . . . 19 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID beta-endorphin common 19 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 . TYR . 19 1 2 . GLY . 19 1 3 . GLY . 19 1 4 . PHE . 19 1 5 . MET . 19 1 6 . THR . 19 1 7 . SER . 19 1 8 . GLU . 19 1 9 . LYS . 19 1 10 . SER . 19 1 11 . GLN . 19 1 12 . THR . 19 1 13 . PRO . 19 1 14 . LEU . 19 1 15 . VAL . 19 1 16 . THR . 19 1 17 . LEU . 19 1 18 . PHE . 19 1 19 . LYS . 19 1 20 . ASN . 19 1 21 . ALA . 19 1 22 . ILE . 19 1 23 . ILE . 19 1 24 . LYS . 19 1 25 . ASN . 19 1 26 . ALA . 19 1 27 . TYR . 19 1 28 . LYS . 19 1 29 . LYS . 19 1 30 . GLY . 19 1 31 . GLU . 19 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 . TYR 1 1 19 1 . GLY 2 2 19 1 . GLY 3 3 19 1 . PHE 4 4 19 1 . MET 5 5 19 1 . THR 6 6 19 1 . SER 7 7 19 1 . GLU 8 8 19 1 . LYS 9 9 19 1 . SER 10 10 19 1 . GLN 11 11 19 1 . THR 12 12 19 1 . PRO 13 13 19 1 . LEU 14 14 19 1 . VAL 15 15 19 1 . THR 16 16 19 1 . LEU 17 17 19 1 . PHE 18 18 19 1 . LYS 19 19 19 1 . ASN 20 20 19 1 . ALA 21 21 19 1 . ILE 22 22 19 1 . ILE 23 23 19 1 . LYS 24 24 19 1 . ASN 25 25 19 1 . ALA 26 26 19 1 . TYR 27 27 19 1 . LYS 28 28 19 1 . LYS 29 29 19 1 . GLY 30 30 19 1 . GLU 31 31 19 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $beta-endorphin . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens generic . . . . . . . . . . . . . . . . . . . . 19 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $beta-endorphin . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 19 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 19 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 1.7 . na 19 1 temperature 296 . K 19 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 19 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 19 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 19 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 19 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H . CD3OD . . . . . ppm 3.3 . . . . . . 1 $entry_citation . . 1 $entry_citation 19 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 19 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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 $sample_one . 19 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 TYR H H 1 7.88 0.03 . 1 . . . . . . . . 19 1 2 . 1 1 1 1 TYR HA H 1 4.42 0.03 . 1 . . . . . . . . 19 1 3 . 1 1 1 1 TYR HB2 H 1 2.94 0.03 . 1 . . . . . . . . 19 1 4 . 1 1 1 1 TYR HB3 H 1 2.94 0.03 . 1 . . . . . . . . 19 1 5 . 1 1 1 1 TYR HD1 H 1 7.25 0.03 . 1 . . . . . . . . 19 1 6 . 1 1 1 1 TYR HD2 H 1 7.25 0.03 . 1 . . . . . . . . 19 1 7 . 1 1 1 1 TYR HE1 H 1 6.81 0.03 . 3 . . . . . . . . 19 1 8 . 1 1 1 1 TYR HE2 H 1 6.75 0.03 . 3 . . . . . . . . 19 1 9 . 1 1 2 2 GLY H H 1 8.11 0.03 . 1 . . . . . . . . 19 1 10 . 1 1 2 2 GLY HA2 H 1 3.86 0.03 . 1 . . . . . . . . 19 1 11 . 1 1 2 2 GLY HA3 H 1 3.86 0.03 . 1 . . . . . . . . 19 1 12 . 1 1 3 3 GLY H H 1 8.32 0.03 . 1 . . . . . . . . 19 1 13 . 1 1 3 3 GLY HA2 H 1 3.91 0.03 . 1 . . . . . . . . 19 1 14 . 1 1 3 3 GLY HA3 H 1 3.91 0.03 . 1 . . . . . . . . 19 1 15 . 1 1 4 4 PHE H H 1 8.1 0.03 . 1 . . . . . . . . 19 1 16 . 1 1 4 4 PHE HA H 1 4.6 0.03 . 1 . . . . . . . . 19 1 17 . 1 1 4 4 PHE HB2 H 1 2.97 0.03 . 2 . . . . . . . . 19 1 18 . 1 1 4 4 PHE HB3 H 1 3.11 0.03 . 2 . . . . . . . . 19 1 19 . 1 1 4 4 PHE HD1 H 1 7.25 0.03 . 1 . . . . . . . . 19 1 20 . 1 1 4 4 PHE HD2 H 1 7.25 0.03 . 1 . . . . . . . . 19 1 21 . 1 1 4 4 PHE HE1 H 1 7.27 0.03 . 1 . . . . . . . . 19 1 22 . 1 1 4 4 PHE HE2 H 1 7.27 0.03 . 1 . . . . . . . . 19 1 23 . 1 1 4 4 PHE HZ H 1 7.27 0.03 . 1 . . . . . . . . 19 1 24 . 1 1 5 5 MET H H 1 8.43 0.03 . 1 . . . . . . . . 19 1 25 . 1 1 5 5 MET HA H 1 4.43 0.03 . 1 . . . . . . . . 19 1 26 . 1 1 5 5 MET HB2 H 1 1.96 0.03 . 1 . . . . . . . . 19 1 27 . 1 1 5 5 MET HB3 H 1 1.96 0.03 . 1 . . . . . . . . 19 1 28 . 1 1 5 5 MET HG2 H 1 2.34 0.03 . 1 . . . . . . . . 19 1 29 . 1 1 5 5 MET HG3 H 1 2.34 0.03 . 1 . . . . . . . . 19 1 30 . 1 1 6 6 THR H H 1 8.31 0.03 . 1 . . . . . . . . 19 1 31 . 1 1 6 6 THR HA H 1 4.41 0.03 . 1 . . . . . . . . 19 1 32 . 1 1 6 6 THR HB H 1 4.26 0.03 . 1 . . . . . . . . 19 1 33 . 1 1 6 6 THR HG21 H 1 1.2 0.03 . 1 . . . . . . . . 19 1 34 . 1 1 6 6 THR HG22 H 1 1.2 0.03 . 1 . . . . . . . . 19 1 35 . 1 1 6 6 THR HG23 H 1 1.2 0.03 . 1 . . . . . . . . 19 1 36 . 1 1 7 7 SER H H 1 8.08 0.03 . 1 . . . . . . . . 19 1 37 . 1 1 7 7 SER HA H 1 4.4 0.03 . 1 . . . . . . . . 19 1 38 . 1 1 7 7 SER HB2 H 1 3.89 0.03 . 1 . . . . . . . . 19 1 39 . 1 1 7 7 SER HB3 H 1 3.89 0.03 . 1 . . . . . . . . 19 1 40 . 1 1 8 8 GLU H H 1 8.59 0.03 . 1 . . . . . . . . 19 1 41 . 1 1 8 8 GLU HA H 1 4.24 0.03 . 1 . . . . . . . . 19 1 42 . 1 1 8 8 GLU HB2 H 1 2.01 0.03 . 1 . . . . . . . . 19 1 43 . 1 1 8 8 GLU HB3 H 1 2.01 0.03 . 1 . . . . . . . . 19 1 44 . 1 1 8 8 GLU HG2 H 1 2.16 0.03 . 1 . . . . . . . . 19 1 45 . 1 1 8 8 GLU HG3 H 1 2.16 0.03 . 1 . . . . . . . . 19 1 46 . 1 1 9 9 LYS H H 1 8.15 0.03 . 1 . . . . . . . . 19 1 47 . 1 1 9 9 LYS HA H 1 4.27 0.03 . 1 . . . . . . . . 19 1 48 . 1 1 9 9 LYS HB2 H 1 1.79 0.03 . 1 . . . . . . . . 19 1 49 . 1 1 9 9 LYS HB3 H 1 1.79 0.03 . 1 . . . . . . . . 19 1 50 . 1 1 9 9 LYS HD2 H 1 1.69 0.03 . 1 . . . . . . . . 19 1 51 . 1 1 9 9 LYS HD3 H 1 1.69 0.03 . 1 . . . . . . . . 19 1 52 . 1 1 9 9 LYS HE2 H 1 2.97 0.03 . 1 . . . . . . . . 19 1 53 . 1 1 9 9 LYS HE3 H 1 2.97 0.03 . 1 . . . . . . . . 19 1 54 . 1 1 10 10 SER H H 1 7.81 0.03 . 1 . . . . . . . . 19 1 55 . 1 1 10 10 SER HA H 1 4.21 0.03 . 1 . . . . . . . . 19 1 56 . 1 1 10 10 SER HB2 H 1 3.95 0.03 . 1 . . . . . . . . 19 1 57 . 1 1 10 10 SER HB3 H 1 3.95 0.03 . 1 . . . . . . . . 19 1 58 . 1 1 11 11 GLN H H 1 8.5 0.03 . 1 . . . . . . . . 19 1 59 . 1 1 11 11 GLN HA H 1 4.49 0.03 . 1 . . . . . . . . 19 1 60 . 1 1 11 11 GLN HB2 H 1 2.13 0.03 . 1 . . . . . . . . 19 1 61 . 1 1 11 11 GLN HB3 H 1 2.13 0.03 . 1 . . . . . . . . 19 1 62 . 1 1 11 11 GLN HG2 H 1 2.37 0.03 . 2 . . . . . . . . 19 1 63 . 1 1 11 11 GLN HG3 H 1 2.78 0.03 . 2 . . . . . . . . 19 1 64 . 1 1 11 11 GLN HE21 H 1 6.82 0.03 . 2 . . . . . . . . 19 1 65 . 1 1 11 11 GLN HE22 H 1 7.55 0.03 . 2 . . . . . . . . 19 1 66 . 1 1 12 12 THR H H 1 7.94 0.03 . 1 . . . . . . . . 19 1 67 . 1 1 12 12 THR HA H 1 4.32 0.03 . 1 . . . . . . . . 19 1 68 . 1 1 12 12 THR HB H 1 4.19 0.03 . 1 . . . . . . . . 19 1 69 . 1 1 12 12 THR HG21 H 1 1.21 0.03 . 1 . . . . . . . . 19 1 70 . 1 1 12 12 THR HG22 H 1 1.21 0.03 . 1 . . . . . . . . 19 1 71 . 1 1 12 12 THR HG23 H 1 1.21 0.03 . 1 . . . . . . . . 19 1 72 . 1 1 13 13 PRO HA H 1 4.39 0.03 . 1 . . . . . . . . 19 1 73 . 1 1 13 13 PRO HB2 H 1 2.36 0.03 . 1 . . . . . . . . 19 1 74 . 1 1 13 13 PRO HB3 H 1 2.36 0.03 . 1 . . . . . . . . 19 1 75 . 1 1 13 13 PRO HG2 H 1 2.05 0.03 . 1 . . . . . . . . 19 1 76 . 1 1 13 13 PRO HG3 H 1 2.05 0.03 . 1 . . . . . . . . 19 1 77 . 1 1 13 13 PRO HD2 H 1 2.47 0.03 . 1 . . . . . . . . 19 1 78 . 1 1 13 13 PRO HD3 H 1 2.47 0.03 . 1 . . . . . . . . 19 1 79 . 1 1 14 14 LEU H H 1 8.1 0.03 . 1 . . . . . . . . 19 1 80 . 1 1 14 14 LEU HA H 1 4.11 0.03 . 1 . . . . . . . . 19 1 81 . 1 1 14 14 LEU HB2 H 1 1.72 0.03 . 1 . . . . . . . . 19 1 82 . 1 1 14 14 LEU HB3 H 1 1.72 0.03 . 1 . . . . . . . . 19 1 83 . 1 1 15 15 VAL H H 1 8.06 0.03 . 1 . . . . . . . . 19 1 84 . 1 1 15 15 VAL HA H 1 3.83 0.03 . 1 . . . . . . . . 19 1 85 . 1 1 15 15 VAL HB H 1 2.2 0.03 . 1 . . . . . . . . 19 1 86 . 1 1 15 15 VAL HG11 H 1 1.03 0.03 . 1 . . . . . . . . 19 1 87 . 1 1 15 15 VAL HG12 H 1 1.03 0.03 . 1 . . . . . . . . 19 1 88 . 1 1 15 15 VAL HG13 H 1 1.03 0.03 . 1 . . . . . . . . 19 1 89 . 1 1 15 15 VAL HG21 H 1 1.03 0.03 . 1 . . . . . . . . 19 1 90 . 1 1 15 15 VAL HG22 H 1 1.03 0.03 . 1 . . . . . . . . 19 1 91 . 1 1 15 15 VAL HG23 H 1 1.03 0.03 . 1 . . . . . . . . 19 1 92 . 1 1 16 16 THR H H 1 8.06 0.03 . 1 . . . . . . . . 19 1 93 . 1 1 16 16 THR HA H 1 4.5 0.03 . 1 . . . . . . . . 19 1 94 . 1 1 16 16 THR HB H 1 4.28 0.03 . 1 . . . . . . . . 19 1 95 . 1 1 16 16 THR HG21 H 1 1.27 0.03 . 1 . . . . . . . . 19 1 96 . 1 1 16 16 THR HG22 H 1 1.27 0.03 . 1 . . . . . . . . 19 1 97 . 1 1 16 16 THR HG23 H 1 1.27 0.03 . 1 . . . . . . . . 19 1 98 . 1 1 17 17 LEU H H 1 7.93 0.03 . 1 . . . . . . . . 19 1 99 . 1 1 17 17 LEU HA H 1 4.1 0.03 . 1 . . . . . . . . 19 1 100 . 1 1 17 17 LEU HB2 H 1 1.77 0.03 . 1 . . . . . . . . 19 1 101 . 1 1 17 17 LEU HB3 H 1 1.77 0.03 . 1 . . . . . . . . 19 1 102 . 1 1 18 18 PHE H H 1 8.11 0.03 . 1 . . . . . . . . 19 1 103 . 1 1 18 18 PHE HA H 1 4.36 0.03 . 1 . . . . . . . . 19 1 104 . 1 1 18 18 PHE HB2 H 1 3.16 0.03 . 1 . . . . . . . . 19 1 105 . 1 1 18 18 PHE HB3 H 1 3.16 0.03 . 1 . . . . . . . . 19 1 106 . 1 1 18 18 PHE HD1 H 1 7.25 0.03 . 1 . . . . . . . . 19 1 107 . 1 1 18 18 PHE HD2 H 1 7.25 0.03 . 1 . . . . . . . . 19 1 108 . 1 1 18 18 PHE HE1 H 1 7.27 0.03 . 1 . . . . . . . . 19 1 109 . 1 1 18 18 PHE HE2 H 1 7.27 0.03 . 1 . . . . . . . . 19 1 110 . 1 1 18 18 PHE HZ H 1 7.27 0.03 . 1 . . . . . . . . 19 1 111 . 1 1 19 19 LYS H H 1 8.23 0.03 . 1 . . . . . . . . 19 1 112 . 1 1 19 19 LYS HB2 H 1 1.79 0.03 . 1 . . . . . . . . 19 1 113 . 1 1 19 19 LYS HB3 H 1 1.79 0.03 . 1 . . . . . . . . 19 1 114 . 1 1 19 19 LYS HD2 H 1 1.69 0.03 . 1 . . . . . . . . 19 1 115 . 1 1 19 19 LYS HD3 H 1 1.69 0.03 . 1 . . . . . . . . 19 1 116 . 1 1 19 19 LYS HE2 H 1 2.97 0.03 . 1 . . . . . . . . 19 1 117 . 1 1 19 19 LYS HE3 H 1 2.97 0.03 . 1 . . . . . . . . 19 1 118 . 1 1 20 20 ASN H H 1 8.04 0.03 . 1 . . . . . . . . 19 1 119 . 1 1 20 20 ASN HA H 1 4.59 0.03 . 1 . . . . . . . . 19 1 120 . 1 1 20 20 ASN HB2 H 1 2.8 0.03 . 1 . . . . . . . . 19 1 121 . 1 1 20 20 ASN HB3 H 1 2.8 0.03 . 1 . . . . . . . . 19 1 122 . 1 1 20 20 ASN HD21 H 1 6.95 0.03 . 2 . . . . . . . . 19 1 123 . 1 1 20 20 ASN HD22 H 1 7.69 0.03 . 2 . . . . . . . . 19 1 124 . 1 1 21 21 ALA H H 1 8 0.03 . 1 . . . . . . . . 19 1 125 . 1 1 21 21 ALA HA H 1 4.14 0.03 . 1 . . . . . . . . 19 1 126 . 1 1 21 21 ALA HB1 H 1 1.32 0.03 . 1 . . . . . . . . 19 1 127 . 1 1 21 21 ALA HB2 H 1 1.32 0.03 . 1 . . . . . . . . 19 1 128 . 1 1 21 21 ALA HB3 H 1 1.32 0.03 . 1 . . . . . . . . 19 1 129 . 1 1 22 22 ILE H H 1 7.86 0.03 . 1 . . . . . . . . 19 1 130 . 1 1 22 22 ILE HA H 1 3.83 0.03 . 1 . . . . . . . . 19 1 131 . 1 1 22 22 ILE HB H 1 1.95 0.03 . 1 . . . . . . . . 19 1 132 . 1 1 22 22 ILE HG12 H 1 1.52 0.03 . 1 . . . . . . . . 19 1 133 . 1 1 22 22 ILE HG13 H 1 1.52 0.03 . 1 . . . . . . . . 19 1 134 . 1 1 22 22 ILE HD11 H 1 .75 0.03 . 1 . . . . . . . . 19 1 135 . 1 1 22 22 ILE HD12 H 1 .75 0.03 . 1 . . . . . . . . 19 1 136 . 1 1 22 22 ILE HD13 H 1 .75 0.03 . 1 . . . . . . . . 19 1 137 . 1 1 23 23 ILE H H 1 7.84 0.03 . 1 . . . . . . . . 19 1 138 . 1 1 23 23 ILE HA H 1 3.95 0.03 . 1 . . . . . . . . 19 1 139 . 1 1 23 23 ILE HB H 1 1.95 0.03 . 1 . . . . . . . . 19 1 140 . 1 1 23 23 ILE HG12 H 1 1.66 0.03 . 1 . . . . . . . . 19 1 141 . 1 1 23 23 ILE HG13 H 1 1.66 0.03 . 1 . . . . . . . . 19 1 142 . 1 1 23 23 ILE HD11 H 1 .87 0.03 . 1 . . . . . . . . 19 1 143 . 1 1 23 23 ILE HD12 H 1 .87 0.03 . 1 . . . . . . . . 19 1 144 . 1 1 23 23 ILE HD13 H 1 .87 0.03 . 1 . . . . . . . . 19 1 145 . 1 1 24 24 LYS H H 1 7.95 0.03 . 1 . . . . . . . . 19 1 146 . 1 1 24 24 LYS HA H 1 4.09 0.03 . 1 . . . . . . . . 19 1 147 . 1 1 24 24 LYS HB2 H 1 1.85 0.03 . 1 . . . . . . . . 19 1 148 . 1 1 24 24 LYS HB3 H 1 1.85 0.03 . 1 . . . . . . . . 19 1 149 . 1 1 24 24 LYS HG2 H 1 1.45 0.03 . 2 . . . . . . . . 19 1 150 . 1 1 24 24 LYS HG3 H 1 1.52 0.03 . 2 . . . . . . . . 19 1 151 . 1 1 24 24 LYS HD2 H 1 1.69 0.03 . 1 . . . . . . . . 19 1 152 . 1 1 24 24 LYS HD3 H 1 1.69 0.03 . 1 . . . . . . . . 19 1 153 . 1 1 24 24 LYS HE2 H 1 2.72 0.03 . 1 . . . . . . . . 19 1 154 . 1 1 24 24 LYS HE3 H 1 2.72 0.03 . 1 . . . . . . . . 19 1 155 . 1 1 25 25 ASN H H 1 8.12 0.03 . 1 . . . . . . . . 19 1 156 . 1 1 25 25 ASN HA H 1 4.15 0.03 . 1 . . . . . . . . 19 1 157 . 1 1 25 25 ASN HB2 H 1 3.09 0.03 . 1 . . . . . . . . 19 1 158 . 1 1 25 25 ASN HB3 H 1 3.09 0.03 . 1 . . . . . . . . 19 1 159 . 1 1 25 25 ASN HD21 H 1 7.25 0.03 . 1 . . . . . . . . 19 1 160 . 1 1 25 25 ASN HD22 H 1 7.25 0.03 . 1 . . . . . . . . 19 1 161 . 1 1 26 26 ALA H H 1 8.01 0.03 . 1 . . . . . . . . 19 1 162 . 1 1 26 26 ALA HA H 1 4.1 0.03 . 1 . . . . . . . . 19 1 163 . 1 1 26 26 ALA HB1 H 1 1.49 0.03 . 1 . . . . . . . . 19 1 164 . 1 1 26 26 ALA HB2 H 1 1.49 0.03 . 1 . . . . . . . . 19 1 165 . 1 1 26 26 ALA HB3 H 1 1.49 0.03 . 1 . . . . . . . . 19 1 166 . 1 1 27 27 TYR H H 1 8.25 0.03 . 1 . . . . . . . . 19 1 167 . 1 1 27 27 TYR HA H 1 4.48 0.03 . 1 . . . . . . . . 19 1 168 . 1 1 27 27 TYR HB2 H 1 2.77 0.03 . 2 . . . . . . . . 19 1 169 . 1 1 27 27 TYR HB3 H 1 2.85 0.03 . 2 . . . . . . . . 19 1 170 . 1 1 27 27 TYR HD1 H 1 7.15 0.03 . 1 . . . . . . . . 19 1 171 . 1 1 27 27 TYR HD2 H 1 7.15 0.03 . 1 . . . . . . . . 19 1 172 . 1 1 27 27 TYR HE1 H 1 6.75 0.03 . 3 . . . . . . . . 19 1 173 . 1 1 27 27 TYR HE2 H 1 6.81 0.03 . 3 . . . . . . . . 19 1 174 . 1 1 28 28 LYS H H 1 8.01 0.03 . 1 . . . . . . . . 19 1 175 . 1 1 28 28 LYS HA H 1 4.1 0.03 . 1 . . . . . . . . 19 1 176 . 1 1 28 28 LYS HB2 H 1 1.58 0.03 . 1 . . . . . . . . 19 1 177 . 1 1 28 28 LYS HB3 H 1 1.58 0.03 . 1 . . . . . . . . 19 1 178 . 1 1 28 28 LYS HG2 H 1 1.48 0.03 . 1 . . . . . . . . 19 1 179 . 1 1 28 28 LYS HG3 H 1 1.48 0.03 . 1 . . . . . . . . 19 1 180 . 1 1 28 28 LYS HD2 H 1 1.68 0.03 . 1 . . . . . . . . 19 1 181 . 1 1 28 28 LYS HD3 H 1 1.68 0.03 . 1 . . . . . . . . 19 1 182 . 1 1 28 28 LYS HE2 H 1 2.97 0.03 . 1 . . . . . . . . 19 1 183 . 1 1 28 28 LYS HE3 H 1 2.97 0.03 . 1 . . . . . . . . 19 1 184 . 1 1 29 29 LYS H H 1 8.11 0.03 . 1 . . . . . . . . 19 1 185 . 1 1 29 29 LYS HA H 1 4.32 0.03 . 1 . . . . . . . . 19 1 186 . 1 1 29 29 LYS HB2 H 1 1.79 0.03 . 1 . . . . . . . . 19 1 187 . 1 1 29 29 LYS HB3 H 1 1.79 0.03 . 1 . . . . . . . . 19 1 188 . 1 1 29 29 LYS HD2 H 1 1.69 0.03 . 1 . . . . . . . . 19 1 189 . 1 1 29 29 LYS HD3 H 1 1.69 0.03 . 1 . . . . . . . . 19 1 190 . 1 1 29 29 LYS HE2 H 1 2.97 0.03 . 1 . . . . . . . . 19 1 191 . 1 1 29 29 LYS HE3 H 1 2.97 0.03 . 1 . . . . . . . . 19 1 192 . 1 1 30 30 GLY H H 1 8.32 0.03 . 1 . . . . . . . . 19 1 193 . 1 1 30 30 GLY HA2 H 1 3.92 0.03 . 1 . . . . . . . . 19 1 194 . 1 1 30 30 GLY HA3 H 1 3.92 0.03 . 1 . . . . . . . . 19 1 195 . 1 1 31 31 GLU H H 1 7.79 0.03 . 1 . . . . . . . . 19 1 196 . 1 1 31 31 GLU HA H 1 4.18 0.03 . 1 . . . . . . . . 19 1 197 . 1 1 31 31 GLU HB2 H 1 1.92 0.03 . 2 . . . . . . . . 19 1 198 . 1 1 31 31 GLU HB3 H 1 2.1 0.03 . 2 . . . . . . . . 19 1 199 . 1 1 31 31 GLU HG2 H 1 2.27 0.03 . 1 . . . . . . . . 19 1 200 . 1 1 31 31 GLU HG3 H 1 2.27 0.03 . 1 . . . . . . . . 19 1 stop_ save_