data_1120 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1120 _Entry.Title ; Sequential 1H NMR Assignments and Secondary Structure of the B Domain of Staphylococcal Protein A: Structural Changes between the Free B Domain in Solution and the Fc-Bound B Domain in Crystal ; _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 Hidetaka Torigoe . . . 1120 2 Ichio Shimada . . . 1120 3 Akiko Saito . . . 1120 4 Moriyuki Sato . . . 1120 5 Yoji Arata . . . 1120 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1120 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 432 1120 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' 1120 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1120 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1120 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1120 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1120 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Torigoe, Hidetaka, Shimada, Ichio, Saito, Akiko, Sato, Moriyuki, Arata, Yoji, "Sequential 1H NMR Assignments and Secondary Structure of the B Domain of Staphylococcal Protein A: Structural Changes between the Free B Domain in Solution and the Fc-Bound B Domain in Crystal," Biochemistry 29, 8787-8793 (1990). ; _Citation.Title ; Sequential 1H NMR Assignments and Secondary Structure of the B Domain of Staphylococcal Protein A: Structural Changes between the Free B Domain in Solution and the Fc-Bound B Domain in Crystal ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 29 _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 8787 _Citation.Page_last 8793 _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 Hidetaka Torigoe . . . 1120 1 2 Ichio Shimada . . . 1120 1 3 Akiko Saito . . . 1120 1 4 Moriyuki Sato . . . 1120 1 5 Yoji Arata . . . 1120 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_IgG_Fc_region-binding_protein _Assembly.Sf_category assembly _Assembly.Sf_framecode system_IgG_Fc_region-binding_protein _Assembly.Entry_ID 1120 _Assembly.ID 1 _Assembly.Name 'IgG Fc region-binding protein' _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 'IgG Fc region-binding protein' 1 $IgG_Fc_region-binding_protein . . . . . . . . . 1120 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'IgG Fc region-binding protein' system 1120 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IgG_Fc_region-binding_protein _Entity.Sf_category entity _Entity.Sf_framecode IgG_Fc_region-binding_protein _Entity.Entry_ID 1120 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'IgG Fc region-binding protein' _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 ; TADNKFNKEQQNAFYEILHL PNLNEEQRNGFIQSLKDDPS QSANLLAEAKKLNDAQAPKA ; _Entity.Polymer_seq_one_letter_code ; TADNKFNKEQQNAFYEILHL PNLNEEQRNGFIQSLKDDPS QSANLLAEAKKLNDAQAPKA ; _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 60 _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 1136 . "IgG Fc region-binding protein" . . . . . 100.00 60 100.00 100.00 6.01e-33 . . . . 1120 1 2 no BMRB 2353 . "IgG Fc region-binding protein" . . . . . 100.00 60 100.00 100.00 6.01e-33 . . . . 1120 1 3 no BMRB 4324 . "B domain of protein A" . . . . . 96.67 58 100.00 100.00 2.18e-31 . . . . 1120 1 4 no BMRB 4325 . "dimer of B domain of protein A" . . . . . 98.33 123 100.00 100.00 3.05e-31 . . . . 1120 1 5 no PDB 1BDC . "Staphylococcus Aureus Protein A, Immunoglobulin-Binding B Domain, Nmr, 10 Structures" . . . . . 100.00 60 100.00 100.00 6.01e-33 . . . . 1120 1 6 no PDB 1BDD . "Staphylococcus Aureus Protein A, Immunoglobulin-Binding B Domain, Nmr, Minimized Average Structure" . . . . . 100.00 60 100.00 100.00 6.01e-33 . . . . 1120 1 7 no PDB 1SS1 . "Staphylococcal Protein A, B-Domain, Y15w Mutant, Nmr, 25 Structures" . . . . . 100.00 62 98.33 100.00 1.35e-32 . . . . 1120 1 8 no PDB 4NPF . "High-resolution Structure Of Two Tandem B Domains Of Staphylococcal Protein A Connected By The Conserved Linker" . . . . . 96.67 116 98.28 100.00 3.49e-30 . . . . 1120 1 9 no EMBL CAA49867 . "staphylococcal protein A [synthetic construct]" . . . . . 98.33 88 98.31 98.31 1.13e-31 . . . . 1120 1 10 no GB AAA72944 . "bifunctional fusion protein, partial [synthetic construct]" . . . . . 98.33 308 98.31 100.00 1.44e-30 . . . . 1120 1 11 no GB ABX88876 . "single chain surrogate light chain variable domain [synthetic construct]" . . . . . 98.33 190 100.00 100.00 1.40e-31 . . . . 1120 1 12 no GB ABX88877 . "single chain surrogate light chain variable domain [synthetic construct]" . . . . . 98.33 214 100.00 100.00 1.71e-31 . . . . 1120 1 13 no GB ACX42323 . "4xProteinA tag [Recombineering donor plasmid pDOC-P]" . . . . . 61.67 230 97.30 97.30 7.36e-15 . . . . 1120 1 14 no GB EEV74738 . "immunoglobulin G-binding protein A [Staphylococcus aureus A8115]" . . . . . 75.00 296 100.00 100.00 3.50e-20 . . . . 1120 1 15 no REF WP_031789382 . "hypothetical protein, partial [Staphylococcus aureus]" . . . . . 56.67 303 97.06 97.06 1.27e-12 . . . . 1120 1 16 no REF WP_052996913 . "hypothetical protein, partial [Staphylococcus aureus]" . . . . . 60.00 242 100.00 100.00 2.43e-13 . . . . 1120 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'IgG Fc region-binding protein' common 1120 1 'protein A, B domain' variant 1120 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 . THR . 1120 1 2 . ALA . 1120 1 3 . ASP . 1120 1 4 . ASN . 1120 1 5 . LYS . 1120 1 6 . PHE . 1120 1 7 . ASN . 1120 1 8 . LYS . 1120 1 9 . GLU . 1120 1 10 . GLN . 1120 1 11 . GLN . 1120 1 12 . ASN . 1120 1 13 . ALA . 1120 1 14 . PHE . 1120 1 15 . TYR . 1120 1 16 . GLU . 1120 1 17 . ILE . 1120 1 18 . LEU . 1120 1 19 . HIS . 1120 1 20 . LEU . 1120 1 21 . PRO . 1120 1 22 . ASN . 1120 1 23 . LEU . 1120 1 24 . ASN . 1120 1 25 . GLU . 1120 1 26 . GLU . 1120 1 27 . GLN . 1120 1 28 . ARG . 1120 1 29 . ASN . 1120 1 30 . GLY . 1120 1 31 . PHE . 1120 1 32 . ILE . 1120 1 33 . GLN . 1120 1 34 . SER . 1120 1 35 . LEU . 1120 1 36 . LYS . 1120 1 37 . ASP . 1120 1 38 . ASP . 1120 1 39 . PRO . 1120 1 40 . SER . 1120 1 41 . GLN . 1120 1 42 . SER . 1120 1 43 . ALA . 1120 1 44 . ASN . 1120 1 45 . LEU . 1120 1 46 . LEU . 1120 1 47 . ALA . 1120 1 48 . GLU . 1120 1 49 . ALA . 1120 1 50 . LYS . 1120 1 51 . LYS . 1120 1 52 . LEU . 1120 1 53 . ASN . 1120 1 54 . ASP . 1120 1 55 . ALA . 1120 1 56 . GLN . 1120 1 57 . ALA . 1120 1 58 . PRO . 1120 1 59 . LYS . 1120 1 60 . ALA . 1120 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 . THR 1 1 1120 1 . ALA 2 2 1120 1 . ASP 3 3 1120 1 . ASN 4 4 1120 1 . LYS 5 5 1120 1 . PHE 6 6 1120 1 . ASN 7 7 1120 1 . LYS 8 8 1120 1 . GLU 9 9 1120 1 . GLN 10 10 1120 1 . GLN 11 11 1120 1 . ASN 12 12 1120 1 . ALA 13 13 1120 1 . PHE 14 14 1120 1 . TYR 15 15 1120 1 . GLU 16 16 1120 1 . ILE 17 17 1120 1 . LEU 18 18 1120 1 . HIS 19 19 1120 1 . LEU 20 20 1120 1 . PRO 21 21 1120 1 . ASN 22 22 1120 1 . LEU 23 23 1120 1 . ASN 24 24 1120 1 . GLU 25 25 1120 1 . GLU 26 26 1120 1 . GLN 27 27 1120 1 . ARG 28 28 1120 1 . ASN 29 29 1120 1 . GLY 30 30 1120 1 . PHE 31 31 1120 1 . ILE 32 32 1120 1 . GLN 33 33 1120 1 . SER 34 34 1120 1 . LEU 35 35 1120 1 . LYS 36 36 1120 1 . ASP 37 37 1120 1 . ASP 38 38 1120 1 . PRO 39 39 1120 1 . SER 40 40 1120 1 . GLN 41 41 1120 1 . SER 42 42 1120 1 . ALA 43 43 1120 1 . ASN 44 44 1120 1 . LEU 45 45 1120 1 . LEU 46 46 1120 1 . ALA 47 47 1120 1 . GLU 48 48 1120 1 . ALA 49 49 1120 1 . LYS 50 50 1120 1 . LYS 51 51 1120 1 . LEU 52 52 1120 1 . ASN 53 53 1120 1 . ASP 54 54 1120 1 . ALA 55 55 1120 1 . GLN 56 56 1120 1 . ALA 57 57 1120 1 . PRO 58 58 1120 1 . LYS 59 59 1120 1 . ALA 60 60 1120 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 1120 _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 $IgG_Fc_region-binding_protein . 1280 organism . 'Staphylococcus aureus' . . . Bacteria . Staphylococcus aureus generic . . . . . . . . . . . . . . . . . . . . 1120 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 1120 _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 $IgG_Fc_region-binding_protein . 'not available' 'Escherichia coli' . . . Escherichia coli MV1184 . . . . . . . . . . . . . . . . . . . . . . 1120 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1120 _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 1120 _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 5 . na 1120 1 temperature 303 . K 1120 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 1120 _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 1120 _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' . . 1120 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 1120 _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 . . . . . . . . . . . . . . . . 1120 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 1120 _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 1120 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 1120 _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 . 1120 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 THR HA H 1 3.87 . . 1 . . . . . . . . 1120 1 2 . 1 1 1 1 THR HB H 1 4.18 . . 1 . . . . . . . . 1120 1 3 . 1 1 1 1 THR HG21 H 1 1.3 . . 1 . . . . . . . . 1120 1 4 . 1 1 1 1 THR HG22 H 1 1.3 . . 1 . . . . . . . . 1120 1 5 . 1 1 1 1 THR HG23 H 1 1.3 . . 1 . . . . . . . . 1120 1 6 . 1 1 2 2 ALA HA H 1 4.06 . . 1 . . . . . . . . 1120 1 7 . 1 1 2 2 ALA HB1 H 1 1.5 . . 1 . . . . . . . . 1120 1 8 . 1 1 2 2 ALA HB2 H 1 1.5 . . 1 . . . . . . . . 1120 1 9 . 1 1 2 2 ALA HB3 H 1 1.5 . . 1 . . . . . . . . 1120 1 10 . 1 1 3 3 ASP H H 1 8.27 . . 1 . . . . . . . . 1120 1 11 . 1 1 3 3 ASP HA H 1 4.46 . . 1 . . . . . . . . 1120 1 12 . 1 1 3 3 ASP HB2 H 1 2.59 . . 2 . . . . . . . . 1120 1 13 . 1 1 3 3 ASP HB3 H 1 2.52 . . 2 . . . . . . . . 1120 1 14 . 1 1 4 4 ASN H H 1 8.2 . . 1 . . . . . . . . 1120 1 15 . 1 1 4 4 ASN HA H 1 4.53 . . 1 . . . . . . . . 1120 1 16 . 1 1 4 4 ASN HB2 H 1 2.57 . . 1 . . . . . . . . 1120 1 17 . 1 1 4 4 ASN HB3 H 1 2.57 . . 1 . . . . . . . . 1120 1 18 . 1 1 4 4 ASN HD21 H 1 6.8 . . 2 . . . . . . . . 1120 1 19 . 1 1 4 4 ASN HD22 H 1 7.46 . . 2 . . . . . . . . 1120 1 20 . 1 1 5 5 LYS H H 1 8.15 . . 1 . . . . . . . . 1120 1 21 . 1 1 5 5 LYS HA H 1 4.14 . . 1 . . . . . . . . 1120 1 22 . 1 1 5 5 LYS HB2 H 1 1.61 . . 1 . . . . . . . . 1120 1 23 . 1 1 5 5 LYS HB3 H 1 1.61 . . 1 . . . . . . . . 1120 1 24 . 1 1 5 5 LYS HG2 H 1 1.23 . . 1 . . . . . . . . 1120 1 25 . 1 1 5 5 LYS HG3 H 1 1.23 . . 1 . . . . . . . . 1120 1 26 . 1 1 5 5 LYS HD2 H 1 1.57 . . 1 . . . . . . . . 1120 1 27 . 1 1 5 5 LYS HD3 H 1 1.57 . . 1 . . . . . . . . 1120 1 28 . 1 1 5 5 LYS HE2 H 1 2.92 . . 1 . . . . . . . . 1120 1 29 . 1 1 5 5 LYS HE3 H 1 2.92 . . 1 . . . . . . . . 1120 1 30 . 1 1 6 6 PHE H H 1 8.05 . . 1 . . . . . . . . 1120 1 31 . 1 1 6 6 PHE HA H 1 4.99 . . 1 . . . . . . . . 1120 1 32 . 1 1 6 6 PHE HB2 H 1 2.98 . . 2 . . . . . . . . 1120 1 33 . 1 1 6 6 PHE HB3 H 1 3.33 . . 2 . . . . . . . . 1120 1 34 . 1 1 6 6 PHE HD1 H 1 7.1 . . 1 . . . . . . . . 1120 1 35 . 1 1 6 6 PHE HD2 H 1 7.1 . . 1 . . . . . . . . 1120 1 36 . 1 1 6 6 PHE HE1 H 1 7.03 . . 1 . . . . . . . . 1120 1 37 . 1 1 6 6 PHE HE2 H 1 7.03 . . 1 . . . . . . . . 1120 1 38 . 1 1 6 6 PHE HZ H 1 6.96 . . 1 . . . . . . . . 1120 1 39 . 1 1 7 7 ASN H H 1 8.39 . . 1 . . . . . . . . 1120 1 40 . 1 1 7 7 ASN HA H 1 4.7 . . 1 . . . . . . . . 1120 1 41 . 1 1 7 7 ASN HB2 H 1 2.92 . . 2 . . . . . . . . 1120 1 42 . 1 1 7 7 ASN HB3 H 1 3.27 . . 2 . . . . . . . . 1120 1 43 . 1 1 7 7 ASN HD21 H 1 6.89 . . 2 . . . . . . . . 1120 1 44 . 1 1 7 7 ASN HD22 H 1 7.47 . . 2 . . . . . . . . 1120 1 45 . 1 1 8 8 LYS H H 1 8.3 . . 1 . . . . . . . . 1120 1 46 . 1 1 8 8 LYS HA H 1 3.95 . . 1 . . . . . . . . 1120 1 47 . 1 1 8 8 LYS HB2 H 1 1.78 . . 2 . . . . . . . . 1120 1 48 . 1 1 8 8 LYS HB3 H 1 1.83 . . 2 . . . . . . . . 1120 1 49 . 1 1 8 8 LYS HG2 H 1 1.4 . . 1 . . . . . . . . 1120 1 50 . 1 1 8 8 LYS HG3 H 1 1.4 . . 1 . . . . . . . . 1120 1 51 . 1 1 8 8 LYS HD2 H 1 1.64 . . 1 . . . . . . . . 1120 1 52 . 1 1 8 8 LYS HD3 H 1 1.64 . . 1 . . . . . . . . 1120 1 53 . 1 1 8 8 LYS HE2 H 1 2.83 . . 1 . . . . . . . . 1120 1 54 . 1 1 8 8 LYS HE3 H 1 2.83 . . 1 . . . . . . . . 1120 1 55 . 1 1 9 9 GLU H H 1 8.24 . . 1 . . . . . . . . 1120 1 56 . 1 1 9 9 GLU HA H 1 4.07 . . 1 . . . . . . . . 1120 1 57 . 1 1 9 9 GLU HB2 H 1 2.03 . . 2 . . . . . . . . 1120 1 58 . 1 1 9 9 GLU HB3 H 1 2.1 . . 2 . . . . . . . . 1120 1 59 . 1 1 9 9 GLU HG2 H 1 2.3 . . 1 . . . . . . . . 1120 1 60 . 1 1 9 9 GLU HG3 H 1 2.3 . . 1 . . . . . . . . 1120 1 61 . 1 1 10 10 GLN H H 1 8.47 . . 1 . . . . . . . . 1120 1 62 . 1 1 10 10 GLN HA H 1 3.85 . . 1 . . . . . . . . 1120 1 63 . 1 1 10 10 GLN HB2 H 1 2.16 . . 1 . . . . . . . . 1120 1 64 . 1 1 10 10 GLN HB3 H 1 2.16 . . 1 . . . . . . . . 1120 1 65 . 1 1 10 10 GLN HG2 H 1 2.42 . . 1 . . . . . . . . 1120 1 66 . 1 1 10 10 GLN HG3 H 1 2.42 . . 1 . . . . . . . . 1120 1 67 . 1 1 10 10 GLN HE21 H 1 6.8 . . 2 . . . . . . . . 1120 1 68 . 1 1 10 10 GLN HE22 H 1 7.18 . . 2 . . . . . . . . 1120 1 69 . 1 1 11 11 GLN H H 1 8.62 . . 1 . . . . . . . . 1120 1 70 . 1 1 11 11 GLN HA H 1 3.94 . . 1 . . . . . . . . 1120 1 71 . 1 1 11 11 GLN HB2 H 1 2.17 . . 1 . . . . . . . . 1120 1 72 . 1 1 11 11 GLN HB3 H 1 2.17 . . 1 . . . . . . . . 1120 1 73 . 1 1 11 11 GLN HG2 H 1 2.42 . . 1 . . . . . . . . 1120 1 74 . 1 1 11 11 GLN HG3 H 1 2.42 . . 1 . . . . . . . . 1120 1 75 . 1 1 11 11 GLN HE21 H 1 6.8 . . 2 . . . . . . . . 1120 1 76 . 1 1 11 11 GLN HE22 H 1 7.18 . . 2 . . . . . . . . 1120 1 77 . 1 1 12 12 ASN H H 1 8.26 . . 1 . . . . . . . . 1120 1 78 . 1 1 12 12 ASN HA H 1 4.58 . . 1 . . . . . . . . 1120 1 79 . 1 1 12 12 ASN HB2 H 1 2.87 . . 1 . . . . . . . . 1120 1 80 . 1 1 12 12 ASN HB3 H 1 2.87 . . 1 . . . . . . . . 1120 1 81 . 1 1 12 12 ASN HD21 H 1 6.96 . . 2 . . . . . . . . 1120 1 82 . 1 1 12 12 ASN HD22 H 1 7.69 . . 2 . . . . . . . . 1120 1 83 . 1 1 13 13 ALA H H 1 7.92 . . 1 . . . . . . . . 1120 1 84 . 1 1 13 13 ALA HA H 1 4.04 . . 1 . . . . . . . . 1120 1 85 . 1 1 13 13 ALA HB1 H 1 1.42 . . 1 . . . . . . . . 1120 1 86 . 1 1 13 13 ALA HB2 H 1 1.42 . . 1 . . . . . . . . 1120 1 87 . 1 1 13 13 ALA HB3 H 1 1.42 . . 1 . . . . . . . . 1120 1 88 . 1 1 14 14 PHE H H 1 8.13 . . 1 . . . . . . . . 1120 1 89 . 1 1 14 14 PHE HA H 1 3.8 . . 1 . . . . . . . . 1120 1 90 . 1 1 14 14 PHE HB2 H 1 2.92 . . 2 . . . . . . . . 1120 1 91 . 1 1 14 14 PHE HB3 H 1 3.28 . . 2 . . . . . . . . 1120 1 92 . 1 1 14 14 PHE HD1 H 1 7 . . 1 . . . . . . . . 1120 1 93 . 1 1 14 14 PHE HD2 H 1 7 . . 1 . . . . . . . . 1120 1 94 . 1 1 14 14 PHE HE1 H 1 7.26 . . 1 . . . . . . . . 1120 1 95 . 1 1 14 14 PHE HE2 H 1 7.26 . . 1 . . . . . . . . 1120 1 96 . 1 1 14 14 PHE HZ H 1 7.2 . . 1 . . . . . . . . 1120 1 97 . 1 1 15 15 TYR H H 1 8.1 . . 1 . . . . . . . . 1120 1 98 . 1 1 15 15 TYR HA H 1 3.91 . . 1 . . . . . . . . 1120 1 99 . 1 1 15 15 TYR HB2 H 1 3.18 . . 1 . . . . . . . . 1120 1 100 . 1 1 15 15 TYR HB3 H 1 3.18 . . 1 . . . . . . . . 1120 1 101 . 1 1 15 15 TYR HD1 H 1 7.11 . . 1 . . . . . . . . 1120 1 102 . 1 1 15 15 TYR HD2 H 1 7.11 . . 1 . . . . . . . . 1120 1 103 . 1 1 15 15 TYR HE1 H 1 6.69 . . 1 . . . . . . . . 1120 1 104 . 1 1 15 15 TYR HE2 H 1 6.69 . . 1 . . . . . . . . 1120 1 105 . 1 1 16 16 GLU H H 1 8.55 . . 1 . . . . . . . . 1120 1 106 . 1 1 16 16 GLU HA H 1 3.97 . . 1 . . . . . . . . 1120 1 107 . 1 1 16 16 GLU HB2 H 1 1.97 . . 2 . . . . . . . . 1120 1 108 . 1 1 16 16 GLU HB3 H 1 2.12 . . 2 . . . . . . . . 1120 1 109 . 1 1 16 16 GLU HG2 H 1 2.23 . . 1 . . . . . . . . 1120 1 110 . 1 1 16 16 GLU HG3 H 1 2.23 . . 1 . . . . . . . . 1120 1 111 . 1 1 17 17 ILE H H 1 8.42 . . 1 . . . . . . . . 1120 1 112 . 1 1 17 17 ILE HA H 1 3.37 . . 1 . . . . . . . . 1120 1 113 . 1 1 17 17 ILE HB H 1 1.77 . . 1 . . . . . . . . 1120 1 114 . 1 1 17 17 ILE HG12 H 1 1.8 . . 1 . . . . . . . . 1120 1 115 . 1 1 17 17 ILE HG13 H 1 1.8 . . 1 . . . . . . . . 1120 1 116 . 1 1 17 17 ILE HG21 H 1 .75 . . 1 . . . . . . . . 1120 1 117 . 1 1 17 17 ILE HG22 H 1 .75 . . 1 . . . . . . . . 1120 1 118 . 1 1 17 17 ILE HG23 H 1 .75 . . 1 . . . . . . . . 1120 1 119 . 1 1 17 17 ILE HD11 H 1 .49 . . 1 . . . . . . . . 1120 1 120 . 1 1 17 17 ILE HD12 H 1 .49 . . 1 . . . . . . . . 1120 1 121 . 1 1 17 17 ILE HD13 H 1 .49 . . 1 . . . . . . . . 1120 1 122 . 1 1 18 18 LEU H H 1 7.86 . . 1 . . . . . . . . 1120 1 123 . 1 1 18 18 LEU HA H 1 3.66 . . 1 . . . . . . . . 1120 1 124 . 1 1 18 18 LEU HB2 H 1 1.1 . . 2 . . . . . . . . 1120 1 125 . 1 1 18 18 LEU HB3 H 1 1.45 . . 2 . . . . . . . . 1120 1 126 . 1 1 18 18 LEU HG H 1 1.33 . . 1 . . . . . . . . 1120 1 127 . 1 1 18 18 LEU HD11 H 1 .54 . . 2 . . . . . . . . 1120 1 128 . 1 1 18 18 LEU HD12 H 1 .54 . . 2 . . . . . . . . 1120 1 129 . 1 1 18 18 LEU HD13 H 1 .54 . . 2 . . . . . . . . 1120 1 130 . 1 1 18 18 LEU HD21 H 1 .62 . . 2 . . . . . . . . 1120 1 131 . 1 1 18 18 LEU HD22 H 1 .62 . . 2 . . . . . . . . 1120 1 132 . 1 1 18 18 LEU HD23 H 1 .62 . . 2 . . . . . . . . 1120 1 133 . 1 1 19 19 HIS H H 1 7.23 . . 1 . . . . . . . . 1120 1 134 . 1 1 19 19 HIS HA H 1 4.44 . . 1 . . . . . . . . 1120 1 135 . 1 1 19 19 HIS HB2 H 1 2.74 . . 2 . . . . . . . . 1120 1 136 . 1 1 19 19 HIS HB3 H 1 3.43 . . 2 . . . . . . . . 1120 1 137 . 1 1 19 19 HIS HD2 H 1 8.24 . . 1 . . . . . . . . 1120 1 138 . 1 1 19 19 HIS HE1 H 1 7.05 . . 1 . . . . . . . . 1120 1 139 . 1 1 20 20 LEU H H 1 7.18 . . 1 . . . . . . . . 1120 1 140 . 1 1 20 20 LEU HA H 1 4.47 . . 1 . . . . . . . . 1120 1 141 . 1 1 20 20 LEU HB2 H 1 1.34 . . 2 . . . . . . . . 1120 1 142 . 1 1 20 20 LEU HB3 H 1 1.7 . . 2 . . . . . . . . 1120 1 143 . 1 1 20 20 LEU HG H 1 2.17 . . 1 . . . . . . . . 1120 1 144 . 1 1 20 20 LEU HD11 H 1 .65 . . 2 . . . . . . . . 1120 1 145 . 1 1 20 20 LEU HD12 H 1 .65 . . 2 . . . . . . . . 1120 1 146 . 1 1 20 20 LEU HD13 H 1 .65 . . 2 . . . . . . . . 1120 1 147 . 1 1 20 20 LEU HD21 H 1 .82 . . 2 . . . . . . . . 1120 1 148 . 1 1 20 20 LEU HD22 H 1 .82 . . 2 . . . . . . . . 1120 1 149 . 1 1 20 20 LEU HD23 H 1 .82 . . 2 . . . . . . . . 1120 1 150 . 1 1 21 21 PRO HA H 1 4.38 . . 1 . . . . . . . . 1120 1 151 . 1 1 21 21 PRO HB2 H 1 1.97 . . 2 . . . . . . . . 1120 1 152 . 1 1 21 21 PRO HB3 H 1 2.27 . . 2 . . . . . . . . 1120 1 153 . 1 1 21 21 PRO HG2 H 1 2.15 . . 1 . . . . . . . . 1120 1 154 . 1 1 21 21 PRO HG3 H 1 2.15 . . 1 . . . . . . . . 1120 1 155 . 1 1 21 21 PRO HD2 H 1 3.78 . . 2 . . . . . . . . 1120 1 156 . 1 1 21 21 PRO HD3 H 1 4.03 . . 2 . . . . . . . . 1120 1 157 . 1 1 22 22 ASN H H 1 8.84 . . 1 . . . . . . . . 1120 1 158 . 1 1 22 22 ASN HA H 1 4.97 . . 1 . . . . . . . . 1120 1 159 . 1 1 22 22 ASN HB2 H 1 2.84 . . 1 . . . . . . . . 1120 1 160 . 1 1 22 22 ASN HB3 H 1 2.84 . . 1 . . . . . . . . 1120 1 161 . 1 1 22 22 ASN HD21 H 1 6.96 . . 2 . . . . . . . . 1120 1 162 . 1 1 22 22 ASN HD22 H 1 7.38 . . 2 . . . . . . . . 1120 1 163 . 1 1 23 23 LEU H H 1 6.49 . . 1 . . . . . . . . 1120 1 164 . 1 1 23 23 LEU HA H 1 4.41 . . 1 . . . . . . . . 1120 1 165 . 1 1 23 23 LEU HB2 H 1 1.6 . . 2 . . . . . . . . 1120 1 166 . 1 1 23 23 LEU HB3 H 1 1.66 . . 2 . . . . . . . . 1120 1 167 . 1 1 23 23 LEU HG H 1 1.66 . . 1 . . . . . . . . 1120 1 168 . 1 1 23 23 LEU HD11 H 1 .87 . . 2 . . . . . . . . 1120 1 169 . 1 1 23 23 LEU HD12 H 1 .87 . . 2 . . . . . . . . 1120 1 170 . 1 1 23 23 LEU HD13 H 1 .87 . . 2 . . . . . . . . 1120 1 171 . 1 1 23 23 LEU HD21 H 1 .96 . . 2 . . . . . . . . 1120 1 172 . 1 1 23 23 LEU HD22 H 1 .96 . . 2 . . . . . . . . 1120 1 173 . 1 1 23 23 LEU HD23 H 1 .96 . . 2 . . . . . . . . 1120 1 174 . 1 1 24 24 ASN H H 1 8.52 . . 1 . . . . . . . . 1120 1 175 . 1 1 24 24 ASN HA H 1 4.88 . . 1 . . . . . . . . 1120 1 176 . 1 1 24 24 ASN HB2 H 1 2.79 . . 2 . . . . . . . . 1120 1 177 . 1 1 24 24 ASN HB3 H 1 3.26 . . 2 . . . . . . . . 1120 1 178 . 1 1 24 24 ASN HD21 H 1 6.99 . . 2 . . . . . . . . 1120 1 179 . 1 1 24 24 ASN HD22 H 1 7.48 . . 2 . . . . . . . . 1120 1 180 . 1 1 25 25 GLU H H 1 8.56 . . 1 . . . . . . . . 1120 1 181 . 1 1 25 25 GLU HA H 1 3.91 . . 1 . . . . . . . . 1120 1 182 . 1 1 25 25 GLU HB2 H 1 2 . . 1 . . . . . . . . 1120 1 183 . 1 1 25 25 GLU HB3 H 1 2 . . 1 . . . . . . . . 1120 1 184 . 1 1 25 25 GLU HG2 H 1 2.32 . . 1 . . . . . . . . 1120 1 185 . 1 1 25 25 GLU HG3 H 1 2.32 . . 1 . . . . . . . . 1120 1 186 . 1 1 26 26 GLU H H 1 8.2 . . 1 . . . . . . . . 1120 1 187 . 1 1 26 26 GLU HA H 1 4.02 . . 1 . . . . . . . . 1120 1 188 . 1 1 26 26 GLU HB2 H 1 2.03 . . 1 . . . . . . . . 1120 1 189 . 1 1 26 26 GLU HB3 H 1 2.03 . . 1 . . . . . . . . 1120 1 190 . 1 1 26 26 GLU HG2 H 1 2.27 . . 1 . . . . . . . . 1120 1 191 . 1 1 26 26 GLU HG3 H 1 2.27 . . 1 . . . . . . . . 1120 1 192 . 1 1 27 27 GLN H H 1 8.58 . . 1 . . . . . . . . 1120 1 193 . 1 1 27 27 GLN HA H 1 3.86 . . 1 . . . . . . . . 1120 1 194 . 1 1 27 27 GLN HB2 H 1 2.44 . . 1 . . . . . . . . 1120 1 195 . 1 1 27 27 GLN HB3 H 1 2.44 . . 1 . . . . . . . . 1120 1 196 . 1 1 27 27 GLN HG2 H 1 2.76 . . 1 . . . . . . . . 1120 1 197 . 1 1 27 27 GLN HG3 H 1 2.76 . . 1 . . . . . . . . 1120 1 198 . 1 1 28 28 ARG H H 1 8.61 . . 1 . . . . . . . . 1120 1 199 . 1 1 28 28 ARG HA H 1 3.76 . . 1 . . . . . . . . 1120 1 200 . 1 1 28 28 ARG HB2 H 1 1.46 . . 2 . . . . . . . . 1120 1 201 . 1 1 28 28 ARG HB3 H 1 1.85 . . 2 . . . . . . . . 1120 1 202 . 1 1 28 28 ARG HG2 H 1 1.66 . . 2 . . . . . . . . 1120 1 203 . 1 1 28 28 ARG HG3 H 1 1.73 . . 2 . . . . . . . . 1120 1 204 . 1 1 28 28 ARG HD2 H 1 3.21 . . 2 . . . . . . . . 1120 1 205 . 1 1 28 28 ARG HD3 H 1 3.36 . . 2 . . . . . . . . 1120 1 206 . 1 1 28 28 ARG HE H 1 7.52 . . 1 . . . . . . . . 1120 1 207 . 1 1 29 29 ASN H H 1 8.59 . . 1 . . . . . . . . 1120 1 208 . 1 1 29 29 ASN HA H 1 4.38 . . 1 . . . . . . . . 1120 1 209 . 1 1 29 29 ASN HB2 H 1 2.75 . . 2 . . . . . . . . 1120 1 210 . 1 1 29 29 ASN HB3 H 1 2.88 . . 2 . . . . . . . . 1120 1 211 . 1 1 29 29 ASN HD21 H 1 6.96 . . 2 . . . . . . . . 1120 1 212 . 1 1 29 29 ASN HD22 H 1 7.59 . . 2 . . . . . . . . 1120 1 213 . 1 1 30 30 GLY H H 1 8 . . 1 . . . . . . . . 1120 1 214 . 1 1 30 30 GLY HA2 H 1 3.75 . . 1 . . . . . . . . 1120 1 215 . 1 1 30 30 GLY HA3 H 1 3.75 . . 1 . . . . . . . . 1120 1 216 . 1 1 31 31 PHE H H 1 7.78 . . 1 . . . . . . . . 1120 1 217 . 1 1 31 31 PHE HA H 1 4.43 . . 1 . . . . . . . . 1120 1 218 . 1 1 31 31 PHE HB2 H 1 3.03 . . 1 . . . . . . . . 1120 1 219 . 1 1 31 31 PHE HB3 H 1 3.03 . . 1 . . . . . . . . 1120 1 220 . 1 1 31 31 PHE HD1 H 1 7.21 . . 1 . . . . . . . . 1120 1 221 . 1 1 31 31 PHE HD2 H 1 7.21 . . 1 . . . . . . . . 1120 1 222 . 1 1 31 31 PHE HE1 H 1 7.25 . . 1 . . . . . . . . 1120 1 223 . 1 1 31 31 PHE HE2 H 1 7.25 . . 1 . . . . . . . . 1120 1 224 . 1 1 31 31 PHE HZ H 1 7.11 . . 1 . . . . . . . . 1120 1 225 . 1 1 32 32 ILE H H 1 8.23 . . 1 . . . . . . . . 1120 1 226 . 1 1 32 32 ILE HA H 1 3.7 . . 1 . . . . . . . . 1120 1 227 . 1 1 32 32 ILE HB H 1 2.08 . . 1 . . . . . . . . 1120 1 228 . 1 1 32 32 ILE HG12 H 1 1.33 . . 2 . . . . . . . . 1120 1 229 . 1 1 32 32 ILE HG13 H 1 1.57 . . 2 . . . . . . . . 1120 1 230 . 1 1 32 32 ILE HG21 H 1 .94 . . 1 . . . . . . . . 1120 1 231 . 1 1 32 32 ILE HG22 H 1 .94 . . 1 . . . . . . . . 1120 1 232 . 1 1 32 32 ILE HG23 H 1 .94 . . 1 . . . . . . . . 1120 1 233 . 1 1 32 32 ILE HD11 H 1 .62 . . 1 . . . . . . . . 1120 1 234 . 1 1 32 32 ILE HD12 H 1 .62 . . 1 . . . . . . . . 1120 1 235 . 1 1 32 32 ILE HD13 H 1 .62 . . 1 . . . . . . . . 1120 1 236 . 1 1 33 33 GLN H H 1 8.38 . . 1 . . . . . . . . 1120 1 237 . 1 1 33 33 GLN HA H 1 3.9 . . 1 . . . . . . . . 1120 1 238 . 1 1 33 33 GLN HB2 H 1 2.15 . . 1 . . . . . . . . 1120 1 239 . 1 1 33 33 GLN HB3 H 1 2.15 . . 1 . . . . . . . . 1120 1 240 . 1 1 33 33 GLN HG2 H 1 2.39 . . 1 . . . . . . . . 1120 1 241 . 1 1 33 33 GLN HG3 H 1 2.39 . . 1 . . . . . . . . 1120 1 242 . 1 1 33 33 GLN HE21 H 1 6.89 . . 2 . . . . . . . . 1120 1 243 . 1 1 33 33 GLN HE22 H 1 7.77 . . 2 . . . . . . . . 1120 1 244 . 1 1 34 34 SER H H 1 7.97 . . 1 . . . . . . . . 1120 1 245 . 1 1 34 34 SER HA H 1 4.24 . . 1 . . . . . . . . 1120 1 246 . 1 1 34 34 SER HB2 H 1 3.96 . . 2 . . . . . . . . 1120 1 247 . 1 1 34 34 SER HB3 H 1 4.09 . . 2 . . . . . . . . 1120 1 248 . 1 1 35 35 LEU H H 1 8.14 . . 1 . . . . . . . . 1120 1 249 . 1 1 35 35 LEU HA H 1 3.74 . . 1 . . . . . . . . 1120 1 250 . 1 1 35 35 LEU HB2 H 1 1.83 . . 1 . . . . . . . . 1120 1 251 . 1 1 35 35 LEU HB3 H 1 1.83 . . 1 . . . . . . . . 1120 1 252 . 1 1 35 35 LEU HG H 1 1.61 . . 1 . . . . . . . . 1120 1 253 . 1 1 35 35 LEU HD11 H 1 .69 . . 2 . . . . . . . . 1120 1 254 . 1 1 35 35 LEU HD12 H 1 .69 . . 2 . . . . . . . . 1120 1 255 . 1 1 35 35 LEU HD13 H 1 .69 . . 2 . . . . . . . . 1120 1 256 . 1 1 35 35 LEU HD21 H 1 .74 . . 2 . . . . . . . . 1120 1 257 . 1 1 35 35 LEU HD22 H 1 .74 . . 2 . . . . . . . . 1120 1 258 . 1 1 35 35 LEU HD23 H 1 .74 . . 2 . . . . . . . . 1120 1 259 . 1 1 36 36 LYS H H 1 7.97 . . 1 . . . . . . . . 1120 1 260 . 1 1 36 36 LYS HA H 1 3.97 . . 1 . . . . . . . . 1120 1 261 . 1 1 36 36 LYS HB2 H 1 1.96 . . 1 . . . . . . . . 1120 1 262 . 1 1 36 36 LYS HB3 H 1 1.96 . . 1 . . . . . . . . 1120 1 263 . 1 1 36 36 LYS HG2 H 1 1.49 . . 1 . . . . . . . . 1120 1 264 . 1 1 36 36 LYS HG3 H 1 1.49 . . 1 . . . . . . . . 1120 1 265 . 1 1 36 36 LYS HD2 H 1 1.68 . . 1 . . . . . . . . 1120 1 266 . 1 1 36 36 LYS HD3 H 1 1.68 . . 1 . . . . . . . . 1120 1 267 . 1 1 36 36 LYS HE2 H 1 2.98 . . 1 . . . . . . . . 1120 1 268 . 1 1 36 36 LYS HE3 H 1 2.98 . . 1 . . . . . . . . 1120 1 269 . 1 1 37 37 ASP H H 1 8.05 . . 1 . . . . . . . . 1120 1 270 . 1 1 37 37 ASP HA H 1 4.42 . . 1 . . . . . . . . 1120 1 271 . 1 1 37 37 ASP HB2 H 1 2.7 . . 2 . . . . . . . . 1120 1 272 . 1 1 37 37 ASP HB3 H 1 2.75 . . 2 . . . . . . . . 1120 1 273 . 1 1 38 38 ASP H H 1 7.62 . . 1 . . . . . . . . 1120 1 274 . 1 1 38 38 ASP HA H 1 4.9 . . 1 . . . . . . . . 1120 1 275 . 1 1 38 38 ASP HB2 H 1 2.56 . . 2 . . . . . . . . 1120 1 276 . 1 1 38 38 ASP HB3 H 1 2.97 . . 2 . . . . . . . . 1120 1 277 . 1 1 39 39 PRO HA H 1 4.48 . . 1 . . . . . . . . 1120 1 278 . 1 1 39 39 PRO HB2 H 1 1.94 . . 2 . . . . . . . . 1120 1 279 . 1 1 39 39 PRO HB3 H 1 2.24 . . 2 . . . . . . . . 1120 1 280 . 1 1 39 39 PRO HG2 H 1 2.1 . . 2 . . . . . . . . 1120 1 281 . 1 1 39 39 PRO HG3 H 1 2.22 . . 2 . . . . . . . . 1120 1 282 . 1 1 39 39 PRO HD2 H 1 3.65 . . 2 . . . . . . . . 1120 1 283 . 1 1 39 39 PRO HD3 H 1 3.84 . . 2 . . . . . . . . 1120 1 284 . 1 1 40 40 SER H H 1 8.04 . . 1 . . . . . . . . 1120 1 285 . 1 1 40 40 SER HA H 1 4.28 . . 1 . . . . . . . . 1120 1 286 . 1 1 40 40 SER HB2 H 1 4.02 . . 1 . . . . . . . . 1120 1 287 . 1 1 40 40 SER HB3 H 1 4.02 . . 1 . . . . . . . . 1120 1 288 . 1 1 41 41 GLN H H 1 7.83 . . 1 . . . . . . . . 1120 1 289 . 1 1 41 41 GLN HA H 1 4.59 . . 1 . . . . . . . . 1120 1 290 . 1 1 41 41 GLN HB2 H 1 1.96 . . 2 . . . . . . . . 1120 1 291 . 1 1 41 41 GLN HB3 H 1 2.61 . . 2 . . . . . . . . 1120 1 292 . 1 1 41 41 GLN HG2 H 1 2.28 . . 2 . . . . . . . . 1120 1 293 . 1 1 41 41 GLN HG3 H 1 2.43 . . 2 . . . . . . . . 1120 1 294 . 1 1 41 41 GLN HE21 H 1 6.83 . . 2 . . . . . . . . 1120 1 295 . 1 1 41 41 GLN HE22 H 1 7.55 . . 2 . . . . . . . . 1120 1 296 . 1 1 42 42 SER H H 1 7.74 . . 1 . . . . . . . . 1120 1 297 . 1 1 42 42 SER HA H 1 3.72 . . 1 . . . . . . . . 1120 1 298 . 1 1 42 42 SER HB2 H 1 3.94 . . 1 . . . . . . . . 1120 1 299 . 1 1 42 42 SER HB3 H 1 3.94 . . 1 . . . . . . . . 1120 1 300 . 1 1 43 43 ALA H H 1 8.44 . . 1 . . . . . . . . 1120 1 301 . 1 1 43 43 ALA HA H 1 4.09 . . 1 . . . . . . . . 1120 1 302 . 1 1 43 43 ALA HB1 H 1 1.4 . . 1 . . . . . . . . 1120 1 303 . 1 1 43 43 ALA HB2 H 1 1.4 . . 1 . . . . . . . . 1120 1 304 . 1 1 43 43 ALA HB3 H 1 1.4 . . 1 . . . . . . . . 1120 1 305 . 1 1 44 44 ASN H H 1 7.88 . . 1 . . . . . . . . 1120 1 306 . 1 1 44 44 ASN HA H 1 4.49 . . 1 . . . . . . . . 1120 1 307 . 1 1 44 44 ASN HB2 H 1 2.86 . . 1 . . . . . . . . 1120 1 308 . 1 1 44 44 ASN HB3 H 1 2.86 . . 1 . . . . . . . . 1120 1 309 . 1 1 44 44 ASN HD21 H 1 6.95 . . 2 . . . . . . . . 1120 1 310 . 1 1 44 44 ASN HD22 H 1 7.72 . . 2 . . . . . . . . 1120 1 311 . 1 1 45 45 LEU H H 1 8.54 . . 1 . . . . . . . . 1120 1 312 . 1 1 45 45 LEU HA H 1 4.11 . . 1 . . . . . . . . 1120 1 313 . 1 1 45 45 LEU HB2 H 1 1.22 . . 2 . . . . . . . . 1120 1 314 . 1 1 45 45 LEU HB3 H 1 1.76 . . 2 . . . . . . . . 1120 1 315 . 1 1 45 45 LEU HG H 1 1.83 . . 1 . . . . . . . . 1120 1 316 . 1 1 45 45 LEU HD11 H 1 .76 . . 2 . . . . . . . . 1120 1 317 . 1 1 45 45 LEU HD12 H 1 .76 . . 2 . . . . . . . . 1120 1 318 . 1 1 45 45 LEU HD13 H 1 .76 . . 2 . . . . . . . . 1120 1 319 . 1 1 45 45 LEU HD21 H 1 1.09 . . 2 . . . . . . . . 1120 1 320 . 1 1 45 45 LEU HD22 H 1 1.09 . . 2 . . . . . . . . 1120 1 321 . 1 1 45 45 LEU HD23 H 1 1.09 . . 2 . . . . . . . . 1120 1 322 . 1 1 46 46 LEU H H 1 8.37 . . 1 . . . . . . . . 1120 1 323 . 1 1 46 46 LEU HA H 1 3.77 . . 1 . . . . . . . . 1120 1 324 . 1 1 46 46 LEU HB2 H 1 1.44 . . 2 . . . . . . . . 1120 1 325 . 1 1 46 46 LEU HB3 H 1 1.84 . . 2 . . . . . . . . 1120 1 326 . 1 1 46 46 LEU HG H 1 1.51 . . 1 . . . . . . . . 1120 1 327 . 1 1 46 46 LEU HD11 H 1 .86 . . 1 . . . . . . . . 1120 1 328 . 1 1 46 46 LEU HD12 H 1 .86 . . 1 . . . . . . . . 1120 1 329 . 1 1 46 46 LEU HD13 H 1 .86 . . 1 . . . . . . . . 1120 1 330 . 1 1 46 46 LEU HD21 H 1 .86 . . 1 . . . . . . . . 1120 1 331 . 1 1 46 46 LEU HD22 H 1 .86 . . 1 . . . . . . . . 1120 1 332 . 1 1 46 46 LEU HD23 H 1 .86 . . 1 . . . . . . . . 1120 1 333 . 1 1 47 47 ALA H H 1 7.56 . . 1 . . . . . . . . 1120 1 334 . 1 1 47 47 ALA HA H 1 4 . . 1 . . . . . . . . 1120 1 335 . 1 1 47 47 ALA HB1 H 1 1.51 . . 1 . . . . . . . . 1120 1 336 . 1 1 47 47 ALA HB2 H 1 1.51 . . 1 . . . . . . . . 1120 1 337 . 1 1 47 47 ALA HB3 H 1 1.51 . . 1 . . . . . . . . 1120 1 338 . 1 1 48 48 GLU H H 1 8.02 . . 1 . . . . . . . . 1120 1 339 . 1 1 48 48 GLU HA H 1 3.98 . . 1 . . . . . . . . 1120 1 340 . 1 1 48 48 GLU HB2 H 1 2.19 . . 2 . . . . . . . . 1120 1 341 . 1 1 48 48 GLU HB3 H 1 2.27 . . 2 . . . . . . . . 1120 1 342 . 1 1 48 48 GLU HG2 H 1 2.46 . . 2 . . . . . . . . 1120 1 343 . 1 1 48 48 GLU HG3 H 1 2.54 . . 2 . . . . . . . . 1120 1 344 . 1 1 49 49 ALA H H 1 8.37 . . 1 . . . . . . . . 1120 1 345 . 1 1 49 49 ALA HA H 1 3.44 . . 1 . . . . . . . . 1120 1 346 . 1 1 49 49 ALA HB1 H 1 .46 . . 1 . . . . . . . . 1120 1 347 . 1 1 49 49 ALA HB2 H 1 .46 . . 1 . . . . . . . . 1120 1 348 . 1 1 49 49 ALA HB3 H 1 .46 . . 1 . . . . . . . . 1120 1 349 . 1 1 50 50 LYS H H 1 8.46 . . 1 . . . . . . . . 1120 1 350 . 1 1 50 50 LYS HA H 1 3.73 . . 1 . . . . . . . . 1120 1 351 . 1 1 50 50 LYS HB2 H 1 1.74 . . 2 . . . . . . . . 1120 1 352 . 1 1 50 50 LYS HB3 H 1 1.91 . . 2 . . . . . . . . 1120 1 353 . 1 1 50 50 LYS HG2 H 1 1.34 . . 1 . . . . . . . . 1120 1 354 . 1 1 50 50 LYS HG3 H 1 1.34 . . 1 . . . . . . . . 1120 1 355 . 1 1 50 50 LYS HD2 H 1 1.56 . . 1 . . . . . . . . 1120 1 356 . 1 1 50 50 LYS HD3 H 1 1.56 . . 1 . . . . . . . . 1120 1 357 . 1 1 50 50 LYS HE2 H 1 2.82 . . 2 . . . . . . . . 1120 1 358 . 1 1 50 50 LYS HE3 H 1 2.91 . . 2 . . . . . . . . 1120 1 359 . 1 1 51 51 LYS H H 1 7.67 . . 1 . . . . . . . . 1120 1 360 . 1 1 51 51 LYS HA H 1 4.08 . . 1 . . . . . . . . 1120 1 361 . 1 1 51 51 LYS HB2 H 1 1.91 . . 1 . . . . . . . . 1120 1 362 . 1 1 51 51 LYS HB3 H 1 1.91 . . 1 . . . . . . . . 1120 1 363 . 1 1 51 51 LYS HG2 H 1 1.4 . . 2 . . . . . . . . 1120 1 364 . 1 1 51 51 LYS HG3 H 1 1.59 . . 2 . . . . . . . . 1120 1 365 . 1 1 51 51 LYS HD2 H 1 1.69 . . 1 . . . . . . . . 1120 1 366 . 1 1 51 51 LYS HD3 H 1 1.69 . . 1 . . . . . . . . 1120 1 367 . 1 1 51 51 LYS HE2 H 1 2.95 . . 1 . . . . . . . . 1120 1 368 . 1 1 51 51 LYS HE3 H 1 2.95 . . 1 . . . . . . . . 1120 1 369 . 1 1 52 52 LEU H H 1 7.88 . . 1 . . . . . . . . 1120 1 370 . 1 1 52 52 LEU HA H 1 4.14 . . 1 . . . . . . . . 1120 1 371 . 1 1 52 52 LEU HB2 H 1 1.7 . . 1 . . . . . . . . 1120 1 372 . 1 1 52 52 LEU HB3 H 1 1.7 . . 1 . . . . . . . . 1120 1 373 . 1 1 52 52 LEU HG H 1 1.53 . . 1 . . . . . . . . 1120 1 374 . 1 1 52 52 LEU HD11 H 1 .97 . . 2 . . . . . . . . 1120 1 375 . 1 1 52 52 LEU HD12 H 1 .97 . . 2 . . . . . . . . 1120 1 376 . 1 1 52 52 LEU HD13 H 1 .97 . . 2 . . . . . . . . 1120 1 377 . 1 1 52 52 LEU HD21 H 1 .98 . . 2 . . . . . . . . 1120 1 378 . 1 1 52 52 LEU HD22 H 1 .98 . . 2 . . . . . . . . 1120 1 379 . 1 1 52 52 LEU HD23 H 1 .98 . . 2 . . . . . . . . 1120 1 380 . 1 1 53 53 ASN H H 1 8.53 . . 1 . . . . . . . . 1120 1 381 . 1 1 53 53 ASN HA H 1 3.93 . . 1 . . . . . . . . 1120 1 382 . 1 1 53 53 ASN HB2 H 1 2.36 . . 2 . . . . . . . . 1120 1 383 . 1 1 53 53 ASN HB3 H 1 3.08 . . 2 . . . . . . . . 1120 1 384 . 1 1 53 53 ASN HD21 H 1 6.83 . . 2 . . . . . . . . 1120 1 385 . 1 1 53 53 ASN HD22 H 1 7.9 . . 2 . . . . . . . . 1120 1 386 . 1 1 54 54 ASP H H 1 8.24 . . 1 . . . . . . . . 1120 1 387 . 1 1 54 54 ASP HA H 1 4.43 . . 1 . . . . . . . . 1120 1 388 . 1 1 54 54 ASP HB2 H 1 2.7 . . 2 . . . . . . . . 1120 1 389 . 1 1 54 54 ASP HB3 H 1 2.73 . . 2 . . . . . . . . 1120 1 390 . 1 1 55 55 ALA H H 1 7.98 . . 1 . . . . . . . . 1120 1 391 . 1 1 55 55 ALA HA H 1 4.22 . . 1 . . . . . . . . 1120 1 392 . 1 1 55 55 ALA HB1 H 1 1.57 . . 1 . . . . . . . . 1120 1 393 . 1 1 55 55 ALA HB2 H 1 1.57 . . 1 . . . . . . . . 1120 1 394 . 1 1 55 55 ALA HB3 H 1 1.57 . . 1 . . . . . . . . 1120 1 395 . 1 1 56 56 GLN H H 1 7.5 . . 1 . . . . . . . . 1120 1 396 . 1 1 56 56 GLN HA H 1 4.36 . . 1 . . . . . . . . 1120 1 397 . 1 1 56 56 GLN HB2 H 1 1.78 . . 2 . . . . . . . . 1120 1 398 . 1 1 56 56 GLN HB3 H 1 2.27 . . 2 . . . . . . . . 1120 1 399 . 1 1 56 56 GLN HG2 H 1 2.45 . . 2 . . . . . . . . 1120 1 400 . 1 1 56 56 GLN HG3 H 1 2.61 . . 2 . . . . . . . . 1120 1 401 . 1 1 56 56 GLN HE21 H 1 6.95 . . 2 . . . . . . . . 1120 1 402 . 1 1 56 56 GLN HE22 H 1 7.27 . . 2 . . . . . . . . 1120 1 403 . 1 1 57 57 ALA H H 1 7.1 . . 1 . . . . . . . . 1120 1 404 . 1 1 57 57 ALA HA H 1 4.32 . . 1 . . . . . . . . 1120 1 405 . 1 1 57 57 ALA HB1 H 1 1.42 . . 1 . . . . . . . . 1120 1 406 . 1 1 57 57 ALA HB2 H 1 1.42 . . 1 . . . . . . . . 1120 1 407 . 1 1 57 57 ALA HB3 H 1 1.42 . . 1 . . . . . . . . 1120 1 408 . 1 1 58 58 PRO HA H 1 4.41 . . 1 . . . . . . . . 1120 1 409 . 1 1 58 58 PRO HB2 H 1 1.9 . . 2 . . . . . . . . 1120 1 410 . 1 1 58 58 PRO HB3 H 1 2.29 . . 2 . . . . . . . . 1120 1 411 . 1 1 58 58 PRO HG2 H 1 2.05 . . 1 . . . . . . . . 1120 1 412 . 1 1 58 58 PRO HG3 H 1 2.05 . . 1 . . . . . . . . 1120 1 413 . 1 1 58 58 PRO HD2 H 1 3.6 . . 2 . . . . . . . . 1120 1 414 . 1 1 58 58 PRO HD3 H 1 3.76 . . 2 . . . . . . . . 1120 1 415 . 1 1 59 59 LYS H H 1 8.41 . . 1 . . . . . . . . 1120 1 416 . 1 1 59 59 LYS HA H 1 4.29 . . 1 . . . . . . . . 1120 1 417 . 1 1 59 59 LYS HB2 H 1 1.72 . . 2 . . . . . . . . 1120 1 418 . 1 1 59 59 LYS HB3 H 1 1.84 . . 2 . . . . . . . . 1120 1 419 . 1 1 59 59 LYS HG2 H 1 1.48 . . 1 . . . . . . . . 1120 1 420 . 1 1 59 59 LYS HG3 H 1 1.48 . . 1 . . . . . . . . 1120 1 421 . 1 1 59 59 LYS HD2 H 1 1.67 . . 1 . . . . . . . . 1120 1 422 . 1 1 59 59 LYS HD3 H 1 1.67 . . 1 . . . . . . . . 1120 1 423 . 1 1 59 59 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 1120 1 424 . 1 1 59 59 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 1120 1 425 . 1 1 59 59 LYS HZ1 H 1 7.47 . . 1 . . . . . . . . 1120 1 426 . 1 1 59 59 LYS HZ2 H 1 7.47 . . 1 . . . . . . . . 1120 1 427 . 1 1 59 59 LYS HZ3 H 1 7.47 . . 1 . . . . . . . . 1120 1 428 . 1 1 60 60 ALA H H 1 7.94 . . 1 . . . . . . . . 1120 1 429 . 1 1 60 60 ALA HA H 1 4.11 . . 1 . . . . . . . . 1120 1 430 . 1 1 60 60 ALA HB1 H 1 1.3 . . 1 . . . . . . . . 1120 1 431 . 1 1 60 60 ALA HB2 H 1 1.3 . . 1 . . . . . . . . 1120 1 432 . 1 1 60 60 ALA HB3 H 1 1.3 . . 1 . . . . . . . . 1120 1 stop_ save_