data_1378 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1378 _Entry.Title ; Nuclear-magnetic-resonance studies of human epidermal growth factor ; _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 Robert Cooke . M. . 1378 2 Michael Tappin . J. . 1378 3 Iain Campbell . D. . 1378 4 Daisuke Kohda . . . 1378 5 Tetsuo Miyake . . . 1378 6 Toru Fuwa . . . 1378 7 Tatsuo Miyazawa . . . 1378 8 Fuyuhiko Inagaki . . . 1378 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1378 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 366 1378 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 . . 2010-06-14 . revision BMRB 'Complete natural source information' 1378 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1378 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1378 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1378 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1378 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Cooke, Robert M., Tappin, Michael J., Campbell, Iain D., Kohda, Daisuke, Miyake, Tetsuo, Fuwa, Toru, Miyazawa, Tatsuo, Inagaki, Fuyuhiko, "Nuclear-magnetic-resonance studies of human epidermal growth factor," Eur. J. Biochem. 193, 807-815 (1990). ; _Citation.Title 'Nuclear-magnetic-resonance studies of human epidermal growth factor' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 193 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 807 _Citation.Page_last 815 _Citation.Year 1990 _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 Robert Cooke . M. . 1378 1 2 Michael Tappin . J. . 1378 1 3 Iain Campbell . D. . 1378 1 4 Daisuke Kohda . . . 1378 1 5 Tetsuo Miyake . . . 1378 1 6 Toru Fuwa . . . 1378 1 7 Tatsuo Miyazawa . . . 1378 1 8 Fuyuhiko Inagaki . . . 1378 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_epidermal_growth_factor _Assembly.Sf_category assembly _Assembly.Sf_framecode system_epidermal_growth_factor _Assembly.Entry_ID 1378 _Assembly.ID 1 _Assembly.Name 'epidermal growth factor' _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 'epidermal growth factor' 1 $epidermal_growth_factor . . . . . . . . . 1378 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'epidermal growth factor' system 1378 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_epidermal_growth_factor _Entity.Sf_category entity _Entity.Sf_framecode epidermal_growth_factor _Entity.Entry_ID 1378 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'epidermal growth factor' _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 ; NSDSECPLSHDGYCLHDGVC MYIEALDKYACNCVVGYIGE RCQYRDLKWWELR ; _Entity.Polymer_seq_one_letter_code ; NSDSECPLSHDGYCLHDGVC MYIEALDKYACNCVVGYIGE RCQYRDLKWWELR ; _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 53 _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 2015-11-26 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 BMRB 1377 . "epidermal growth factor" . . . . . 90.57 48 100.00 100.00 8.09e-26 . . . . 1378 1 2 no BMRB 16768 . hEGF . . . . . 100.00 53 100.00 100.00 3.87e-30 . . . . 1378 1 3 no BMRB 2075 . "epidermal growth factor" . . . . . 98.11 52 100.00 100.00 2.37e-29 . . . . 1378 1 4 no BMRB 2076 . "epidermal growth factor" . . . . . 98.11 52 98.08 98.08 2.34e-28 . . . . 1378 1 5 no BMRB 2077 . "epidermal growth factor" . . . . . 98.11 52 98.08 98.08 1.69e-28 . . . . 1378 1 6 no BMRB 2078 . "epidermal growth factor" . . . . . 98.11 52 98.08 98.08 1.99e-28 . . . . 1378 1 7 no PDB 1IVO . "Crystal Structure Of The Complex Of Human Epidermal Growth Factor And Receptor Extracellular Domains." . . . . . 100.00 53 100.00 100.00 3.87e-30 . . . . 1378 1 8 no PDB 1JL9 . "Crystal Structure Of Human Epidermal Growth Factor" . . . . . 96.23 51 100.00 100.00 1.08e-28 . . . . 1378 1 9 no PDB 1NQL . "Structure Of The Extracellular Domain Of Human Epidermal Growth Factor (egf) Receptor In An Inactive (low Ph) Complex With Egf." . . . . . 100.00 53 100.00 100.00 3.87e-30 . . . . 1378 1 10 no PDB 2KV4 . Egf . . . . . 100.00 53 100.00 100.00 3.87e-30 . . . . 1378 1 11 no PDB 3NJP . "The Extracellular And Transmembrane Domain Interfaces In Epidermal Growth Factor Receptor Signaling" . . . . . 88.68 47 100.00 100.00 1.06e-25 . . . . 1378 1 12 no DBJ BAG61319 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1165 100.00 100.00 4.40e-28 . . . . 1378 1 13 no EMBL CAA28240 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1207 100.00 100.00 5.18e-28 . . . . 1378 1 14 no EMBL CCA96179 . "human SP1-epidermal growth factor [synthetic construct]" . . . . . 100.00 77 100.00 100.00 1.31e-30 . . . . 1378 1 15 no EMBL CEK41095 . "Skin permeable EGF [synthetic construct]" . . . . . 100.00 99 100.00 100.00 1.44e-30 . . . . 1378 1 16 no GB AAA60744 . "epidermal growth factor [synthetic construct]" . . . . . 100.00 54 100.00 100.00 3.15e-30 . . . . 1378 1 17 no GB AAA72173 . "epidermal growth factor, partial [synthetic construct]" . . . . . 100.00 53 100.00 100.00 3.87e-30 . . . . 1378 1 18 no GB AAA72241 . "epidermal growth factor (urogastrone) [synthetic construct]" . . . . . 100.00 54 100.00 100.00 3.15e-30 . . . . 1378 1 19 no GB AAA72506 . "epidermal growth factor, partial [synthetic construct]" . . . . . 100.00 53 100.00 100.00 3.87e-30 . . . . 1378 1 20 no GB AAA72563 . "epidermal growth factor [synthetic construct]" . . . . . 100.00 54 100.00 100.00 3.15e-30 . . . . 1378 1 21 no REF NP_001171601 . "pro-epidermal growth factor isoform 2 preproprotein [Homo sapiens]" . . . . . 100.00 1166 100.00 100.00 4.44e-28 . . . . 1378 1 22 no REF NP_001171602 . "pro-epidermal growth factor isoform 3 preproprotein [Homo sapiens]" . . . . . 100.00 1165 100.00 100.00 4.71e-28 . . . . 1378 1 23 no REF NP_001954 . "pro-epidermal growth factor isoform 1 preproprotein [Homo sapiens]" . . . . . 100.00 1207 100.00 100.00 4.94e-28 . . . . 1378 1 24 no REF XP_001088957 . "PREDICTED: pro-epidermal growth factor isoform 1 [Macaca mulatta]" . . . . . 100.00 1208 98.11 98.11 3.74e-27 . . . . 1378 1 25 no REF XP_002804220 . "PREDICTED: pro-epidermal growth factor isoform 2 [Macaca mulatta]" . . . . . 100.00 1166 98.11 98.11 3.31e-27 . . . . 1378 1 26 no SP P01133 . "RecName: Full=Pro-epidermal growth factor; Short=EGF; Contains: RecName: Full=Epidermal growth factor; AltName: Full=Urogastron" . . . . . 100.00 1207 100.00 100.00 4.94e-28 . . . . 1378 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'epidermal growth factor' common 1378 1 'hEGF residues 1-53' variant 1378 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 . ASN . 1378 1 2 . SER . 1378 1 3 . ASP . 1378 1 4 . SER . 1378 1 5 . GLU . 1378 1 6 . CYS . 1378 1 7 . PRO . 1378 1 8 . LEU . 1378 1 9 . SER . 1378 1 10 . HIS . 1378 1 11 . ASP . 1378 1 12 . GLY . 1378 1 13 . TYR . 1378 1 14 . CYS . 1378 1 15 . LEU . 1378 1 16 . HIS . 1378 1 17 . ASP . 1378 1 18 . GLY . 1378 1 19 . VAL . 1378 1 20 . CYS . 1378 1 21 . MET . 1378 1 22 . TYR . 1378 1 23 . ILE . 1378 1 24 . GLU . 1378 1 25 . ALA . 1378 1 26 . LEU . 1378 1 27 . ASP . 1378 1 28 . LYS . 1378 1 29 . TYR . 1378 1 30 . ALA . 1378 1 31 . CYS . 1378 1 32 . ASN . 1378 1 33 . CYS . 1378 1 34 . VAL . 1378 1 35 . VAL . 1378 1 36 . GLY . 1378 1 37 . TYR . 1378 1 38 . ILE . 1378 1 39 . GLY . 1378 1 40 . GLU . 1378 1 41 . ARG . 1378 1 42 . CYS . 1378 1 43 . GLN . 1378 1 44 . TYR . 1378 1 45 . ARG . 1378 1 46 . ASP . 1378 1 47 . LEU . 1378 1 48 . LYS . 1378 1 49 . TRP . 1378 1 50 . TRP . 1378 1 51 . GLU . 1378 1 52 . LEU . 1378 1 53 . ARG . 1378 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 1378 1 . SER 2 2 1378 1 . ASP 3 3 1378 1 . SER 4 4 1378 1 . GLU 5 5 1378 1 . CYS 6 6 1378 1 . PRO 7 7 1378 1 . LEU 8 8 1378 1 . SER 9 9 1378 1 . HIS 10 10 1378 1 . ASP 11 11 1378 1 . GLY 12 12 1378 1 . TYR 13 13 1378 1 . CYS 14 14 1378 1 . LEU 15 15 1378 1 . HIS 16 16 1378 1 . ASP 17 17 1378 1 . GLY 18 18 1378 1 . VAL 19 19 1378 1 . CYS 20 20 1378 1 . MET 21 21 1378 1 . TYR 22 22 1378 1 . ILE 23 23 1378 1 . GLU 24 24 1378 1 . ALA 25 25 1378 1 . LEU 26 26 1378 1 . ASP 27 27 1378 1 . LYS 28 28 1378 1 . TYR 29 29 1378 1 . ALA 30 30 1378 1 . CYS 31 31 1378 1 . ASN 32 32 1378 1 . CYS 33 33 1378 1 . VAL 34 34 1378 1 . VAL 35 35 1378 1 . GLY 36 36 1378 1 . TYR 37 37 1378 1 . ILE 38 38 1378 1 . GLY 39 39 1378 1 . GLU 40 40 1378 1 . ARG 41 41 1378 1 . CYS 42 42 1378 1 . GLN 43 43 1378 1 . TYR 44 44 1378 1 . ARG 45 45 1378 1 . ASP 46 46 1378 1 . LEU 47 47 1378 1 . LYS 48 48 1378 1 . TRP 49 49 1378 1 . TRP 50 50 1378 1 . GLU 51 51 1378 1 . LEU 52 52 1378 1 . ARG 53 53 1378 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 1378 _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 $epidermal_growth_factor . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 1378 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 1378 _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 $epidermal_growth_factor . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1378 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1378 _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 1378 _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 2.8 . na 1378 1 temperature 301 . K 1378 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 1378 _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 1378 _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' . . 1378 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 1378 _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 . . . . . . . . . . . . . . . . 1378 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 1378 _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 . DSS . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1378 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 1378 _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 . 1378 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 ASN HA H 1 4.43 . . 1 . . . . . . . . 1378 1 2 . 1 1 1 1 ASN HB2 H 1 3.02 . . 1 . . . . . . . . 1378 1 3 . 1 1 1 1 ASN HB3 H 1 3.02 . . 1 . . . . . . . . 1378 1 4 . 1 1 1 1 ASN HD21 H 1 7.7 . . 2 . . . . . . . . 1378 1 5 . 1 1 1 1 ASN HD22 H 1 7.03 . . 2 . . . . . . . . 1378 1 6 . 1 1 2 2 SER H H 1 8.8 . . 1 . . . . . . . . 1378 1 7 . 1 1 2 2 SER HA H 1 4.58 . . 1 . . . . . . . . 1378 1 8 . 1 1 2 2 SER HB2 H 1 3.93 . . 1 . . . . . . . . 1378 1 9 . 1 1 2 2 SER HB3 H 1 3.93 . . 1 . . . . . . . . 1378 1 10 . 1 1 3 3 ASP H H 1 8.53 . . 1 . . . . . . . . 1378 1 11 . 1 1 3 3 ASP HA H 1 4.91 . . 1 . . . . . . . . 1378 1 12 . 1 1 3 3 ASP HB2 H 1 2.92 . . 1 . . . . . . . . 1378 1 13 . 1 1 3 3 ASP HB3 H 1 2.92 . . 1 . . . . . . . . 1378 1 14 . 1 1 4 4 SER H H 1 8.5 . . 1 . . . . . . . . 1378 1 15 . 1 1 4 4 SER HA H 1 4.77 . . 1 . . . . . . . . 1378 1 16 . 1 1 4 4 SER HB2 H 1 3.96 . . 2 . . . . . . . . 1378 1 17 . 1 1 4 4 SER HB3 H 1 4.06 . . 2 . . . . . . . . 1378 1 18 . 1 1 5 5 GLU H H 1 8.28 . . 1 . . . . . . . . 1378 1 19 . 1 1 5 5 GLU HA H 1 4.52 . . 1 . . . . . . . . 1378 1 20 . 1 1 5 5 GLU HB2 H 1 2.2 . . 2 . . . . . . . . 1378 1 21 . 1 1 5 5 GLU HB3 H 1 2.08 . . 2 . . . . . . . . 1378 1 22 . 1 1 5 5 GLU HG2 H 1 2.58 . . 1 . . . . . . . . 1378 1 23 . 1 1 5 5 GLU HG3 H 1 2.58 . . 1 . . . . . . . . 1378 1 24 . 1 1 6 6 CYS H H 1 8.71 . . 1 . . . . . . . . 1378 1 25 . 1 1 6 6 CYS HA H 1 4.44 . . 1 . . . . . . . . 1378 1 26 . 1 1 6 6 CYS HB2 H 1 2.97 . . 2 . . . . . . . . 1378 1 27 . 1 1 6 6 CYS HB3 H 1 3.2 . . 2 . . . . . . . . 1378 1 28 . 1 1 7 7 PRO HA H 1 4.5 . . 1 . . . . . . . . 1378 1 29 . 1 1 7 7 PRO HB2 H 1 1.96 . . 2 . . . . . . . . 1378 1 30 . 1 1 7 7 PRO HB3 H 1 2.27 . . 2 . . . . . . . . 1378 1 31 . 1 1 7 7 PRO HG2 H 1 1.83 . . 2 . . . . . . . . 1378 1 32 . 1 1 7 7 PRO HG3 H 1 1.71 . . 2 . . . . . . . . 1378 1 33 . 1 1 7 7 PRO HD2 H 1 3.08 . . 2 . . . . . . . . 1378 1 34 . 1 1 7 7 PRO HD3 H 1 3.45 . . 2 . . . . . . . . 1378 1 35 . 1 1 8 8 LEU H H 1 8.42 . . 1 . . . . . . . . 1378 1 36 . 1 1 8 8 LEU HA H 1 4.08 . . 1 . . . . . . . . 1378 1 37 . 1 1 8 8 LEU HB2 H 1 1.68 . . 1 . . . . . . . . 1378 1 38 . 1 1 8 8 LEU HB3 H 1 1.68 . . 1 . . . . . . . . 1378 1 39 . 1 1 8 8 LEU HG H 1 1.68 . . 1 . . . . . . . . 1378 1 40 . 1 1 8 8 LEU HD11 H 1 .9 . . 2 . . . . . . . . 1378 1 41 . 1 1 8 8 LEU HD12 H 1 .9 . . 2 . . . . . . . . 1378 1 42 . 1 1 8 8 LEU HD13 H 1 .9 . . 2 . . . . . . . . 1378 1 43 . 1 1 8 8 LEU HD21 H 1 .92 . . 2 . . . . . . . . 1378 1 44 . 1 1 8 8 LEU HD22 H 1 .92 . . 2 . . . . . . . . 1378 1 45 . 1 1 8 8 LEU HD23 H 1 .92 . . 2 . . . . . . . . 1378 1 46 . 1 1 9 9 SER H H 1 8.27 . . 1 . . . . . . . . 1378 1 47 . 1 1 9 9 SER HA H 1 4.2 . . 1 . . . . . . . . 1378 1 48 . 1 1 9 9 SER HB2 H 1 3.97 . . 1 . . . . . . . . 1378 1 49 . 1 1 9 9 SER HB3 H 1 3.97 . . 1 . . . . . . . . 1378 1 50 . 1 1 10 10 HIS H H 1 8.33 . . 1 . . . . . . . . 1378 1 51 . 1 1 10 10 HIS HA H 1 4.63 . . 1 . . . . . . . . 1378 1 52 . 1 1 10 10 HIS HB2 H 1 3.43 . . 2 . . . . . . . . 1378 1 53 . 1 1 10 10 HIS HB3 H 1 2.61 . . 2 . . . . . . . . 1378 1 54 . 1 1 10 10 HIS HD2 H 1 7.35 . . 1 . . . . . . . . 1378 1 55 . 1 1 10 10 HIS HE1 H 1 8.36 . . 1 . . . . . . . . 1378 1 56 . 1 1 11 11 ASP H H 1 8.05 . . 1 . . . . . . . . 1378 1 57 . 1 1 11 11 ASP HA H 1 4.6 . . 1 . . . . . . . . 1378 1 58 . 1 1 11 11 ASP HB2 H 1 2.99 . . 1 . . . . . . . . 1378 1 59 . 1 1 11 11 ASP HB3 H 1 2.99 . . 1 . . . . . . . . 1378 1 60 . 1 1 12 12 GLY H H 1 8.6 . . 1 . . . . . . . . 1378 1 61 . 1 1 12 12 GLY HA2 H 1 3.8 . . 2 . . . . . . . . 1378 1 62 . 1 1 12 12 GLY HA3 H 1 4.01 . . 2 . . . . . . . . 1378 1 63 . 1 1 13 13 TYR H H 1 7.65 . . 1 . . . . . . . . 1378 1 64 . 1 1 13 13 TYR HA H 1 4.08 . . 1 . . . . . . . . 1378 1 65 . 1 1 13 13 TYR HB2 H 1 2.88 . . 2 . . . . . . . . 1378 1 66 . 1 1 13 13 TYR HB3 H 1 3.09 . . 2 . . . . . . . . 1378 1 67 . 1 1 13 13 TYR HD1 H 1 7.06 . . 1 . . . . . . . . 1378 1 68 . 1 1 13 13 TYR HD2 H 1 7.06 . . 1 . . . . . . . . 1378 1 69 . 1 1 13 13 TYR HE1 H 1 6.77 . . 1 . . . . . . . . 1378 1 70 . 1 1 13 13 TYR HE2 H 1 6.77 . . 1 . . . . . . . . 1378 1 71 . 1 1 14 14 CYS H H 1 8.53 . . 1 . . . . . . . . 1378 1 72 . 1 1 14 14 CYS HA H 1 4.36 . . 1 . . . . . . . . 1378 1 73 . 1 1 14 14 CYS HB2 H 1 2.39 . . 2 . . . . . . . . 1378 1 74 . 1 1 14 14 CYS HB3 H 1 2.67 . . 2 . . . . . . . . 1378 1 75 . 1 1 15 15 LEU H H 1 8.07 . . 1 . . . . . . . . 1378 1 76 . 1 1 15 15 LEU HA H 1 4.07 . . 1 . . . . . . . . 1378 1 77 . 1 1 15 15 LEU HB2 H 1 .76 . . 2 . . . . . . . . 1378 1 78 . 1 1 15 15 LEU HB3 H 1 1.49 . . 2 . . . . . . . . 1378 1 79 . 1 1 15 15 LEU HG H 1 1.55 . . 1 . . . . . . . . 1378 1 80 . 1 1 15 15 LEU HD11 H 1 .64 . . 2 . . . . . . . . 1378 1 81 . 1 1 15 15 LEU HD12 H 1 .64 . . 2 . . . . . . . . 1378 1 82 . 1 1 15 15 LEU HD13 H 1 .64 . . 2 . . . . . . . . 1378 1 83 . 1 1 15 15 LEU HD21 H 1 .66 . . 2 . . . . . . . . 1378 1 84 . 1 1 15 15 LEU HD22 H 1 .66 . . 2 . . . . . . . . 1378 1 85 . 1 1 15 15 LEU HD23 H 1 .66 . . 2 . . . . . . . . 1378 1 86 . 1 1 16 16 HIS H H 1 8.69 . . 1 . . . . . . . . 1378 1 87 . 1 1 16 16 HIS HA H 1 3.88 . . 1 . . . . . . . . 1378 1 88 . 1 1 16 16 HIS HB2 H 1 2.26 . . 2 . . . . . . . . 1378 1 89 . 1 1 16 16 HIS HB3 H 1 2.42 . . 2 . . . . . . . . 1378 1 90 . 1 1 16 16 HIS HD2 H 1 7.42 . . 1 . . . . . . . . 1378 1 91 . 1 1 16 16 HIS HE1 H 1 8.55 . . 1 . . . . . . . . 1378 1 92 . 1 1 17 17 ASP H H 1 9.02 . . 1 . . . . . . . . 1378 1 93 . 1 1 17 17 ASP HA H 1 4.32 . . 1 . . . . . . . . 1378 1 94 . 1 1 17 17 ASP HB2 H 1 2.99 . . 2 . . . . . . . . 1378 1 95 . 1 1 17 17 ASP HB3 H 1 3.2 . . 2 . . . . . . . . 1378 1 96 . 1 1 18 18 GLY H H 1 7.24 . . 1 . . . . . . . . 1378 1 97 . 1 1 18 18 GLY HA2 H 1 3.42 . . 2 . . . . . . . . 1378 1 98 . 1 1 18 18 GLY HA3 H 1 4.33 . . 2 . . . . . . . . 1378 1 99 . 1 1 19 19 VAL H H 1 8.2 . . 1 . . . . . . . . 1378 1 100 . 1 1 19 19 VAL HA H 1 4.28 . . 1 . . . . . . . . 1378 1 101 . 1 1 19 19 VAL HB H 1 2.08 . . 1 . . . . . . . . 1378 1 102 . 1 1 19 19 VAL HG11 H 1 1.06 . . 2 . . . . . . . . 1378 1 103 . 1 1 19 19 VAL HG12 H 1 1.06 . . 2 . . . . . . . . 1378 1 104 . 1 1 19 19 VAL HG13 H 1 1.06 . . 2 . . . . . . . . 1378 1 105 . 1 1 19 19 VAL HG21 H 1 1.08 . . 2 . . . . . . . . 1378 1 106 . 1 1 19 19 VAL HG22 H 1 1.08 . . 2 . . . . . . . . 1378 1 107 . 1 1 19 19 VAL HG23 H 1 1.08 . . 2 . . . . . . . . 1378 1 108 . 1 1 20 20 CYS H H 1 8.9 . . 1 . . . . . . . . 1378 1 109 . 1 1 20 20 CYS HA H 1 5.15 . . 1 . . . . . . . . 1378 1 110 . 1 1 20 20 CYS HB2 H 1 3.34 . . 1 . . . . . . . . 1378 1 111 . 1 1 20 20 CYS HB3 H 1 3.34 . . 1 . . . . . . . . 1378 1 112 . 1 1 21 21 MET H H 1 9.46 . . 1 . . . . . . . . 1378 1 113 . 1 1 21 21 MET HA H 1 4.95 . . 1 . . . . . . . . 1378 1 114 . 1 1 21 21 MET HB2 H 1 2 . . 1 . . . . . . . . 1378 1 115 . 1 1 21 21 MET HB3 H 1 2 . . 1 . . . . . . . . 1378 1 116 . 1 1 21 21 MET HG2 H 1 2.48 . . 1 . . . . . . . . 1378 1 117 . 1 1 21 21 MET HG3 H 1 2.48 . . 1 . . . . . . . . 1378 1 118 . 1 1 21 21 MET HE1 H 1 2.02 . . 1 . . . . . . . . 1378 1 119 . 1 1 21 21 MET HE2 H 1 2.02 . . 1 . . . . . . . . 1378 1 120 . 1 1 21 21 MET HE3 H 1 2.02 . . 1 . . . . . . . . 1378 1 121 . 1 1 22 22 TYR H H 1 8.77 . . 1 . . . . . . . . 1378 1 122 . 1 1 22 22 TYR HA H 1 4.79 . . 1 . . . . . . . . 1378 1 123 . 1 1 22 22 TYR HB2 H 1 2.65 . . 1 . . . . . . . . 1378 1 124 . 1 1 22 22 TYR HB3 H 1 2.65 . . 1 . . . . . . . . 1378 1 125 . 1 1 22 22 TYR HD1 H 1 6.21 . . 1 . . . . . . . . 1378 1 126 . 1 1 22 22 TYR HD2 H 1 6.21 . . 1 . . . . . . . . 1378 1 127 . 1 1 22 22 TYR HE1 H 1 6.36 . . 1 . . . . . . . . 1378 1 128 . 1 1 22 22 TYR HE2 H 1 6.36 . . 1 . . . . . . . . 1378 1 129 . 1 1 23 23 ILE H H 1 8.46 . . 1 . . . . . . . . 1378 1 130 . 1 1 23 23 ILE HA H 1 4.04 . . 1 . . . . . . . . 1378 1 131 . 1 1 23 23 ILE HB H 1 1.75 . . 1 . . . . . . . . 1378 1 132 . 1 1 23 23 ILE HG12 H 1 1.08 . . 2 . . . . . . . . 1378 1 133 . 1 1 23 23 ILE HG13 H 1 1.37 . . 2 . . . . . . . . 1378 1 134 . 1 1 23 23 ILE HG21 H 1 .83 . . 1 . . . . . . . . 1378 1 135 . 1 1 23 23 ILE HG22 H 1 .83 . . 1 . . . . . . . . 1378 1 136 . 1 1 23 23 ILE HG23 H 1 .83 . . 1 . . . . . . . . 1378 1 137 . 1 1 23 23 ILE HD11 H 1 .73 . . 1 . . . . . . . . 1378 1 138 . 1 1 23 23 ILE HD12 H 1 .73 . . 1 . . . . . . . . 1378 1 139 . 1 1 23 23 ILE HD13 H 1 .73 . . 1 . . . . . . . . 1378 1 140 . 1 1 24 24 GLU H H 1 8.26 . . 1 . . . . . . . . 1378 1 141 . 1 1 24 24 GLU HA H 1 3.33 . . 1 . . . . . . . . 1378 1 142 . 1 1 24 24 GLU HB2 H 1 2.01 . . 1 . . . . . . . . 1378 1 143 . 1 1 24 24 GLU HB3 H 1 2.01 . . 1 . . . . . . . . 1378 1 144 . 1 1 24 24 GLU HG2 H 1 2.45 . . 2 . . . . . . . . 1378 1 145 . 1 1 24 24 GLU HG3 H 1 2.56 . . 2 . . . . . . . . 1378 1 146 . 1 1 25 25 ALA H H 1 8.82 . . 1 . . . . . . . . 1378 1 147 . 1 1 25 25 ALA HA H 1 4.01 . . 1 . . . . . . . . 1378 1 148 . 1 1 25 25 ALA HB1 H 1 1.36 . . 1 . . . . . . . . 1378 1 149 . 1 1 25 25 ALA HB2 H 1 1.36 . . 1 . . . . . . . . 1378 1 150 . 1 1 25 25 ALA HB3 H 1 1.36 . . 1 . . . . . . . . 1378 1 151 . 1 1 26 26 LEU H H 1 6.57 . . 1 . . . . . . . . 1378 1 152 . 1 1 26 26 LEU HA H 1 4.47 . . 1 . . . . . . . . 1378 1 153 . 1 1 26 26 LEU HB2 H 1 1.24 . . 2 . . . . . . . . 1378 1 154 . 1 1 26 26 LEU HB3 H 1 1.62 . . 2 . . . . . . . . 1378 1 155 . 1 1 26 26 LEU HG H 1 1.48 . . 1 . . . . . . . . 1378 1 156 . 1 1 26 26 LEU HD11 H 1 .83 . . 2 . . . . . . . . 1378 1 157 . 1 1 26 26 LEU HD12 H 1 .83 . . 2 . . . . . . . . 1378 1 158 . 1 1 26 26 LEU HD13 H 1 .83 . . 2 . . . . . . . . 1378 1 159 . 1 1 26 26 LEU HD21 H 1 .87 . . 2 . . . . . . . . 1378 1 160 . 1 1 26 26 LEU HD22 H 1 .87 . . 2 . . . . . . . . 1378 1 161 . 1 1 26 26 LEU HD23 H 1 .87 . . 2 . . . . . . . . 1378 1 162 . 1 1 27 27 ASP H H 1 7.8 . . 1 . . . . . . . . 1378 1 163 . 1 1 27 27 ASP HA H 1 4.1 . . 1 . . . . . . . . 1378 1 164 . 1 1 27 27 ASP HB2 H 1 2.75 . . 2 . . . . . . . . 1378 1 165 . 1 1 27 27 ASP HB3 H 1 3.28 . . 2 . . . . . . . . 1378 1 166 . 1 1 28 28 LYS H H 1 6.85 . . 1 . . . . . . . . 1378 1 167 . 1 1 28 28 LYS HA H 1 4.69 . . 1 . . . . . . . . 1378 1 168 . 1 1 28 28 LYS HB2 H 1 1.56 . . 2 . . . . . . . . 1378 1 169 . 1 1 28 28 LYS HB3 H 1 1.68 . . 2 . . . . . . . . 1378 1 170 . 1 1 28 28 LYS HG2 H 1 1.28 . . 2 . . . . . . . . 1378 1 171 . 1 1 28 28 LYS HG3 H 1 1.36 . . 2 . . . . . . . . 1378 1 172 . 1 1 28 28 LYS HD2 H 1 1.68 . . 1 . . . . . . . . 1378 1 173 . 1 1 28 28 LYS HD3 H 1 1.68 . . 1 . . . . . . . . 1378 1 174 . 1 1 28 28 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 1378 1 175 . 1 1 28 28 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 1378 1 176 . 1 1 28 28 LYS HZ1 H 1 7.65 . . 1 . . . . . . . . 1378 1 177 . 1 1 28 28 LYS HZ2 H 1 7.65 . . 1 . . . . . . . . 1378 1 178 . 1 1 28 28 LYS HZ3 H 1 7.65 . . 1 . . . . . . . . 1378 1 179 . 1 1 29 29 TYR H H 1 8.46 . . 1 . . . . . . . . 1378 1 180 . 1 1 29 29 TYR HA H 1 5.15 . . 1 . . . . . . . . 1378 1 181 . 1 1 29 29 TYR HB2 H 1 2.54 . . 2 . . . . . . . . 1378 1 182 . 1 1 29 29 TYR HB3 H 1 2.7 . . 2 . . . . . . . . 1378 1 183 . 1 1 29 29 TYR HD1 H 1 6.99 . . 1 . . . . . . . . 1378 1 184 . 1 1 29 29 TYR HD2 H 1 6.99 . . 1 . . . . . . . . 1378 1 185 . 1 1 29 29 TYR HE1 H 1 6.32 . . 1 . . . . . . . . 1378 1 186 . 1 1 29 29 TYR HE2 H 1 6.32 . . 1 . . . . . . . . 1378 1 187 . 1 1 30 30 ALA H H 1 9.38 . . 1 . . . . . . . . 1378 1 188 . 1 1 30 30 ALA HA H 1 4.95 . . 1 . . . . . . . . 1378 1 189 . 1 1 30 30 ALA HB1 H 1 1.44 . . 1 . . . . . . . . 1378 1 190 . 1 1 30 30 ALA HB2 H 1 1.44 . . 1 . . . . . . . . 1378 1 191 . 1 1 30 30 ALA HB3 H 1 1.44 . . 1 . . . . . . . . 1378 1 192 . 1 1 31 31 CYS H H 1 8.86 . . 1 . . . . . . . . 1378 1 193 . 1 1 31 31 CYS HA H 1 5.41 . . 1 . . . . . . . . 1378 1 194 . 1 1 31 31 CYS HB2 H 1 2.62 . . 2 . . . . . . . . 1378 1 195 . 1 1 31 31 CYS HB3 H 1 2.85 . . 2 . . . . . . . . 1378 1 196 . 1 1 32 32 ASN H H 1 9.45 . . 1 . . . . . . . . 1378 1 197 . 1 1 32 32 ASN HA H 1 5.11 . . 1 . . . . . . . . 1378 1 198 . 1 1 32 32 ASN HB2 H 1 2.81 . . 2 . . . . . . . . 1378 1 199 . 1 1 32 32 ASN HB3 H 1 3.02 . . 2 . . . . . . . . 1378 1 200 . 1 1 32 32 ASN HD21 H 1 6.83 . . 2 . . . . . . . . 1378 1 201 . 1 1 32 32 ASN HD22 H 1 7.3 . . 2 . . . . . . . . 1378 1 202 . 1 1 33 33 CYS H H 1 8.96 . . 1 . . . . . . . . 1378 1 203 . 1 1 33 33 CYS HA H 1 4.75 . . 1 . . . . . . . . 1378 1 204 . 1 1 33 33 CYS HB2 H 1 2.76 . . 2 . . . . . . . . 1378 1 205 . 1 1 33 33 CYS HB3 H 1 3.34 . . 2 . . . . . . . . 1378 1 206 . 1 1 34 34 VAL H H 1 8.63 . . 1 . . . . . . . . 1378 1 207 . 1 1 34 34 VAL HA H 1 4.15 . . 1 . . . . . . . . 1378 1 208 . 1 1 34 34 VAL HB H 1 2.21 . . 1 . . . . . . . . 1378 1 209 . 1 1 34 34 VAL HG11 H 1 1.11 . . 2 . . . . . . . . 1378 1 210 . 1 1 34 34 VAL HG12 H 1 1.11 . . 2 . . . . . . . . 1378 1 211 . 1 1 34 34 VAL HG13 H 1 1.11 . . 2 . . . . . . . . 1378 1 212 . 1 1 34 34 VAL HG21 H 1 1.18 . . 2 . . . . . . . . 1378 1 213 . 1 1 34 34 VAL HG22 H 1 1.18 . . 2 . . . . . . . . 1378 1 214 . 1 1 34 34 VAL HG23 H 1 1.18 . . 2 . . . . . . . . 1378 1 215 . 1 1 35 35 VAL H H 1 7.82 . . 1 . . . . . . . . 1378 1 216 . 1 1 35 35 VAL HA H 1 3.51 . . 1 . . . . . . . . 1378 1 217 . 1 1 35 35 VAL HB H 1 1.65 . . 1 . . . . . . . . 1378 1 218 . 1 1 35 35 VAL HG11 H 1 .62 . . 2 . . . . . . . . 1378 1 219 . 1 1 35 35 VAL HG12 H 1 .62 . . 2 . . . . . . . . 1378 1 220 . 1 1 35 35 VAL HG13 H 1 .62 . . 2 . . . . . . . . 1378 1 221 . 1 1 35 35 VAL HG21 H 1 .77 . . 2 . . . . . . . . 1378 1 222 . 1 1 35 35 VAL HG22 H 1 .77 . . 2 . . . . . . . . 1378 1 223 . 1 1 35 35 VAL HG23 H 1 .77 . . 2 . . . . . . . . 1378 1 224 . 1 1 36 36 GLY H H 1 8.07 . . 1 . . . . . . . . 1378 1 225 . 1 1 36 36 GLY HA2 H 1 2.97 . . 2 . . . . . . . . 1378 1 226 . 1 1 36 36 GLY HA3 H 1 3.9 . . 2 . . . . . . . . 1378 1 227 . 1 1 37 37 TYR H H 1 8.17 . . 1 . . . . . . . . 1378 1 228 . 1 1 37 37 TYR HA H 1 5.46 . . 1 . . . . . . . . 1378 1 229 . 1 1 37 37 TYR HB2 H 1 2.86 . . 2 . . . . . . . . 1378 1 230 . 1 1 37 37 TYR HB3 H 1 2.99 . . 2 . . . . . . . . 1378 1 231 . 1 1 37 37 TYR HD1 H 1 6.73 . . 1 . . . . . . . . 1378 1 232 . 1 1 37 37 TYR HD2 H 1 6.73 . . 1 . . . . . . . . 1378 1 233 . 1 1 37 37 TYR HE1 H 1 6.3 . . 1 . . . . . . . . 1378 1 234 . 1 1 37 37 TYR HE2 H 1 6.3 . . 1 . . . . . . . . 1378 1 235 . 1 1 38 38 ILE H H 1 9.27 . . 1 . . . . . . . . 1378 1 236 . 1 1 38 38 ILE HA H 1 4.88 . . 1 . . . . . . . . 1378 1 237 . 1 1 38 38 ILE HB H 1 2.09 . . 1 . . . . . . . . 1378 1 238 . 1 1 38 38 ILE HG12 H 1 1.02 . . 2 . . . . . . . . 1378 1 239 . 1 1 38 38 ILE HG13 H 1 1.45 . . 2 . . . . . . . . 1378 1 240 . 1 1 38 38 ILE HG21 H 1 .93 . . 1 . . . . . . . . 1378 1 241 . 1 1 38 38 ILE HG22 H 1 .93 . . 1 . . . . . . . . 1378 1 242 . 1 1 38 38 ILE HG23 H 1 .93 . . 1 . . . . . . . . 1378 1 243 . 1 1 38 38 ILE HD11 H 1 .91 . . 1 . . . . . . . . 1378 1 244 . 1 1 38 38 ILE HD12 H 1 .91 . . 1 . . . . . . . . 1378 1 245 . 1 1 38 38 ILE HD13 H 1 .91 . . 1 . . . . . . . . 1378 1 246 . 1 1 39 39 GLY H H 1 8.05 . . 1 . . . . . . . . 1378 1 247 . 1 1 39 39 GLY HA2 H 1 4.01 . . 2 . . . . . . . . 1378 1 248 . 1 1 39 39 GLY HA3 H 1 5 . . 2 . . . . . . . . 1378 1 249 . 1 1 40 40 GLU H H 1 9.29 . . 1 . . . . . . . . 1378 1 250 . 1 1 40 40 GLU HA H 1 4.21 . . 1 . . . . . . . . 1378 1 251 . 1 1 40 40 GLU HB2 H 1 2.27 . . 2 . . . . . . . . 1378 1 252 . 1 1 40 40 GLU HB3 H 1 2.31 . . 2 . . . . . . . . 1378 1 253 . 1 1 40 40 GLU HG2 H 1 2.62 . . 2 . . . . . . . . 1378 1 254 . 1 1 40 40 GLU HG3 H 1 2.72 . . 2 . . . . . . . . 1378 1 255 . 1 1 41 41 ARG H H 1 8.47 . . 1 . . . . . . . . 1378 1 256 . 1 1 41 41 ARG HA H 1 4.83 . . 1 . . . . . . . . 1378 1 257 . 1 1 41 41 ARG HB2 H 1 1 . . 2 . . . . . . . . 1378 1 258 . 1 1 41 41 ARG HB3 H 1 2.27 . . 2 . . . . . . . . 1378 1 259 . 1 1 41 41 ARG HG2 H 1 .7 . . 2 . . . . . . . . 1378 1 260 . 1 1 41 41 ARG HG3 H 1 1.31 . . 2 . . . . . . . . 1378 1 261 . 1 1 41 41 ARG HD2 H 1 2.82 . . 2 . . . . . . . . 1378 1 262 . 1 1 41 41 ARG HD3 H 1 2.9 . . 2 . . . . . . . . 1378 1 263 . 1 1 41 41 ARG HE H 1 7.14 . . 1 . . . . . . . . 1378 1 264 . 1 1 42 42 CYS H H 1 7.79 . . 1 . . . . . . . . 1378 1 265 . 1 1 42 42 CYS HA H 1 4.01 . . 1 . . . . . . . . 1378 1 266 . 1 1 42 42 CYS HB2 H 1 3.15 . . 2 . . . . . . . . 1378 1 267 . 1 1 42 42 CYS HB3 H 1 3.5 . . 2 . . . . . . . . 1378 1 268 . 1 1 43 43 GLN H H 1 9.72 . . 1 . . . . . . . . 1378 1 269 . 1 1 43 43 GLN HA H 1 4.1 . . 1 . . . . . . . . 1378 1 270 . 1 1 43 43 GLN HB2 H 1 1.49 . . 2 . . . . . . . . 1378 1 271 . 1 1 43 43 GLN HB3 H 1 1.8 . . 2 . . . . . . . . 1378 1 272 . 1 1 43 43 GLN HG2 H 1 1.03 . . 2 . . . . . . . . 1378 1 273 . 1 1 43 43 GLN HG3 H 1 1.93 . . 2 . . . . . . . . 1378 1 274 . 1 1 43 43 GLN HE21 H 1 6.82 . . 2 . . . . . . . . 1378 1 275 . 1 1 43 43 GLN HE22 H 1 7.42 . . 2 . . . . . . . . 1378 1 276 . 1 1 44 44 TYR H H 1 8.74 . . 1 . . . . . . . . 1378 1 277 . 1 1 44 44 TYR HA H 1 5.23 . . 1 . . . . . . . . 1378 1 278 . 1 1 44 44 TYR HB2 H 1 2.72 . . 2 . . . . . . . . 1378 1 279 . 1 1 44 44 TYR HB3 H 1 3.19 . . 2 . . . . . . . . 1378 1 280 . 1 1 44 44 TYR HD1 H 1 7.14 . . 1 . . . . . . . . 1378 1 281 . 1 1 44 44 TYR HD2 H 1 7.14 . . 1 . . . . . . . . 1378 1 282 . 1 1 44 44 TYR HE1 H 1 6.95 . . 1 . . . . . . . . 1378 1 283 . 1 1 44 44 TYR HE2 H 1 6.95 . . 1 . . . . . . . . 1378 1 284 . 1 1 45 45 ARG H H 1 8.78 . . 1 . . . . . . . . 1378 1 285 . 1 1 45 45 ARG HA H 1 4.33 . . 1 . . . . . . . . 1378 1 286 . 1 1 45 45 ARG HB2 H 1 1.6 . . 1 . . . . . . . . 1378 1 287 . 1 1 45 45 ARG HB3 H 1 1.6 . . 1 . . . . . . . . 1378 1 288 . 1 1 45 45 ARG HG2 H 1 1.14 . . 2 . . . . . . . . 1378 1 289 . 1 1 45 45 ARG HG3 H 1 1.5 . . 2 . . . . . . . . 1378 1 290 . 1 1 45 45 ARG HD2 H 1 2.47 . . 2 . . . . . . . . 1378 1 291 . 1 1 45 45 ARG HD3 H 1 2.54 . . 2 . . . . . . . . 1378 1 292 . 1 1 45 45 ARG HE H 1 6.58 . . 1 . . . . . . . . 1378 1 293 . 1 1 46 46 ASP H H 1 8.35 . . 1 . . . . . . . . 1378 1 294 . 1 1 46 46 ASP HA H 1 4.64 . . 1 . . . . . . . . 1378 1 295 . 1 1 46 46 ASP HB2 H 1 2.39 . . 2 . . . . . . . . 1378 1 296 . 1 1 46 46 ASP HB3 H 1 2.79 . . 2 . . . . . . . . 1378 1 297 . 1 1 47 47 LEU H H 1 8.3 . . 1 . . . . . . . . 1378 1 298 . 1 1 47 47 LEU HA H 1 4.18 . . 1 . . . . . . . . 1378 1 299 . 1 1 47 47 LEU HB2 H 1 1.73 . . 1 . . . . . . . . 1378 1 300 . 1 1 47 47 LEU HB3 H 1 1.73 . . 1 . . . . . . . . 1378 1 301 . 1 1 47 47 LEU HG H 1 1.73 . . 1 . . . . . . . . 1378 1 302 . 1 1 47 47 LEU HD11 H 1 .85 . . 2 . . . . . . . . 1378 1 303 . 1 1 47 47 LEU HD12 H 1 .85 . . 2 . . . . . . . . 1378 1 304 . 1 1 47 47 LEU HD13 H 1 .85 . . 2 . . . . . . . . 1378 1 305 . 1 1 47 47 LEU HD21 H 1 .95 . . 2 . . . . . . . . 1378 1 306 . 1 1 47 47 LEU HD22 H 1 .95 . . 2 . . . . . . . . 1378 1 307 . 1 1 47 47 LEU HD23 H 1 .95 . . 2 . . . . . . . . 1378 1 308 . 1 1 48 48 LYS H H 1 8.04 . . 1 . . . . . . . . 1378 1 309 . 1 1 48 48 LYS HA H 1 3.97 . . 1 . . . . . . . . 1378 1 310 . 1 1 48 48 LYS HB2 H 1 1.61 . . 2 . . . . . . . . 1378 1 311 . 1 1 48 48 LYS HB3 H 1 1.73 . . 2 . . . . . . . . 1378 1 312 . 1 1 48 48 LYS HG2 H 1 1.3 . . 2 . . . . . . . . 1378 1 313 . 1 1 48 48 LYS HG3 H 1 1.35 . . 2 . . . . . . . . 1378 1 314 . 1 1 48 48 LYS HD2 H 1 1.65 . . 1 . . . . . . . . 1378 1 315 . 1 1 48 48 LYS HD3 H 1 1.65 . . 1 . . . . . . . . 1378 1 316 . 1 1 48 48 LYS HE2 H 1 2.96 . . 1 . . . . . . . . 1378 1 317 . 1 1 48 48 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 1378 1 318 . 1 1 48 48 LYS HZ1 H 1 7.53 . . 1 . . . . . . . . 1378 1 319 . 1 1 48 48 LYS HZ2 H 1 7.53 . . 1 . . . . . . . . 1378 1 320 . 1 1 48 48 LYS HZ3 H 1 7.53 . . 1 . . . . . . . . 1378 1 321 . 1 1 49 49 TRP H H 1 7.47 . . 1 . . . . . . . . 1378 1 322 . 1 1 49 49 TRP HA H 1 4.14 . . 1 . . . . . . . . 1378 1 323 . 1 1 49 49 TRP HB2 H 1 3.13 . . 2 . . . . . . . . 1378 1 324 . 1 1 49 49 TRP HB3 H 1 3.17 . . 2 . . . . . . . . 1378 1 325 . 1 1 49 49 TRP HD1 H 1 6.85 . . 1 . . . . . . . . 1378 1 326 . 1 1 49 49 TRP HE1 H 1 9.94 . . 1 . . . . . . . . 1378 1 327 . 1 1 49 49 TRP HE3 H 1 6.65 . . 1 . . . . . . . . 1378 1 328 . 1 1 49 49 TRP HZ2 H 1 7.3 . . 1 . . . . . . . . 1378 1 329 . 1 1 49 49 TRP HZ3 H 1 6.13 . . 1 . . . . . . . . 1378 1 330 . 1 1 49 49 TRP HH2 H 1 6.96 . . 1 . . . . . . . . 1378 1 331 . 1 1 50 50 TRP H H 1 7.43 . . 1 . . . . . . . . 1378 1 332 . 1 1 50 50 TRP HA H 1 4.11 . . 1 . . . . . . . . 1378 1 333 . 1 1 50 50 TRP HB2 H 1 3.1 . . 2 . . . . . . . . 1378 1 334 . 1 1 50 50 TRP HB3 H 1 3.14 . . 2 . . . . . . . . 1378 1 335 . 1 1 50 50 TRP HD1 H 1 7.35 . . 1 . . . . . . . . 1378 1 336 . 1 1 50 50 TRP HE1 H 1 9.95 . . 1 . . . . . . . . 1378 1 337 . 1 1 50 50 TRP HE3 H 1 7.44 . . 1 . . . . . . . . 1378 1 338 . 1 1 50 50 TRP HZ2 H 1 7.35 . . 1 . . . . . . . . 1378 1 339 . 1 1 50 50 TRP HZ3 H 1 7.2 . . 1 . . . . . . . . 1378 1 340 . 1 1 50 50 TRP HH2 H 1 7.32 . . 1 . . . . . . . . 1378 1 341 . 1 1 51 51 GLU H H 1 7.74 . . 1 . . . . . . . . 1378 1 342 . 1 1 51 51 GLU HA H 1 4.23 . . 1 . . . . . . . . 1378 1 343 . 1 1 51 51 GLU HB2 H 1 1.98 . . 2 . . . . . . . . 1378 1 344 . 1 1 51 51 GLU HB3 H 1 2.07 . . 2 . . . . . . . . 1378 1 345 . 1 1 51 51 GLU HG2 H 1 2.35 . . 1 . . . . . . . . 1378 1 346 . 1 1 51 51 GLU HG3 H 1 2.35 . . 1 . . . . . . . . 1378 1 347 . 1 1 52 52 LEU H H 1 7.52 . . 1 . . . . . . . . 1378 1 348 . 1 1 52 52 LEU HA H 1 4.28 . . 1 . . . . . . . . 1378 1 349 . 1 1 52 52 LEU HB2 H 1 1.57 . . 1 . . . . . . . . 1378 1 350 . 1 1 52 52 LEU HB3 H 1 1.57 . . 1 . . . . . . . . 1378 1 351 . 1 1 52 52 LEU HG H 1 1.65 . . 1 . . . . . . . . 1378 1 352 . 1 1 52 52 LEU HD11 H 1 .83 . . 2 . . . . . . . . 1378 1 353 . 1 1 52 52 LEU HD12 H 1 .83 . . 2 . . . . . . . . 1378 1 354 . 1 1 52 52 LEU HD13 H 1 .83 . . 2 . . . . . . . . 1378 1 355 . 1 1 52 52 LEU HD21 H 1 .87 . . 2 . . . . . . . . 1378 1 356 . 1 1 52 52 LEU HD22 H 1 .87 . . 2 . . . . . . . . 1378 1 357 . 1 1 52 52 LEU HD23 H 1 .87 . . 2 . . . . . . . . 1378 1 358 . 1 1 53 53 ARG H H 1 7.72 . . 1 . . . . . . . . 1378 1 359 . 1 1 53 53 ARG HA H 1 4.17 . . 1 . . . . . . . . 1378 1 360 . 1 1 53 53 ARG HB2 H 1 1.63 . . 2 . . . . . . . . 1378 1 361 . 1 1 53 53 ARG HB3 H 1 1.81 . . 2 . . . . . . . . 1378 1 362 . 1 1 53 53 ARG HG2 H 1 1.41 . . 1 . . . . . . . . 1378 1 363 . 1 1 53 53 ARG HG3 H 1 1.41 . . 1 . . . . . . . . 1378 1 364 . 1 1 53 53 ARG HD2 H 1 2.7 . . 2 . . . . . . . . 1378 1 365 . 1 1 53 53 ARG HD3 H 1 2.78 . . 2 . . . . . . . . 1378 1 366 . 1 1 53 53 ARG HE H 1 6.84 . . 1 . . . . . . . . 1378 1 stop_ save_