data_6689 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6689 _Entry.Title ; 1H and 15N Chemical Shift Assignments for N-terminal domain of human centrin 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-06-15 _Entry.Accession_date 2005-06-15 _Entry.Last_release_date 2006-04-20 _Entry.Original_release_date 2006-04-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Ao Yang . . . 6689 2 Simona Miron . . . 6689 3 Patricia Duchambon . . . 6689 4 Liliane Assairi . . . 6689 5 Yves Blouquit . . . 6689 6 Constantin Craescu . T. . 6689 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6689 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 82 6689 '1H chemical shifts' 533 6689 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-04-20 2005-06-15 original author . 6689 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6689 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16411764 _Citation.Full_citation . _Citation.Title ; The N-terminal domain of human centrin 2 has a closed structure, binds calcium with a very low affinity, and plays a role in the protein self-assembly ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 45 _Citation.Journal_issue 3 _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 880 _Citation.Page_last 889 _Citation.Year 2006 _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 Ao Yang . . . 6689 1 2 Simona Miron . . . 6689 1 3 Patricia Duchambon . . . 6689 1 4 Liliane Assairi . . . 6689 1 5 Yves Blouquit . . . 6689 1 6 Constantin Craescu . T. . 6689 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6689 _Assembly.ID 1 _Assembly.Name 'human centrin 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6689 1 stop_ 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 'human centrin 1' 1 $N-terminal_domain_of_human_centrin_1 . . yes native yes no . . . 6689 1 stop_ loop_ _Assembly_systematic_name.Name _Assembly_systematic_name.Naming_system _Assembly_systematic_name.Entry_ID _Assembly_systematic_name.Assembly_ID HsCen1 . 6689 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_N-terminal_domain_of_human_centrin_1 _Entity.Sf_category entity _Entity.Sf_framecode N-terminal_domain_of_human_centrin_1 _Entity.Entry_ID 6689 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name N-HsCen1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASGFKKPSAASTGQKRKVA PKPELTEDQKQEVREAFDLF DVDGSGTIDAKELKVAMRAL GFEPRKEEMKKMISEVDREG TGKISFNDFLAVMTQKM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . MET . 6689 1 2 . ALA . 6689 1 3 . SER . 6689 1 4 . GLY . 6689 1 5 . PHE . 6689 1 6 . LYS . 6689 1 7 . LYS . 6689 1 8 . PRO . 6689 1 9 . SER . 6689 1 10 . ALA . 6689 1 11 . ALA . 6689 1 12 . SER . 6689 1 13 . THR . 6689 1 14 . GLY . 6689 1 15 . GLN . 6689 1 16 . LYS . 6689 1 17 . ARG . 6689 1 18 . LYS . 6689 1 19 . VAL . 6689 1 20 . ALA . 6689 1 21 . PRO . 6689 1 22 . LYS . 6689 1 23 . PRO . 6689 1 24 . GLU . 6689 1 25 . LEU . 6689 1 26 . THR . 6689 1 27 . GLU . 6689 1 28 . ASP . 6689 1 29 . GLN . 6689 1 30 . LYS . 6689 1 31 . GLN . 6689 1 32 . GLU . 6689 1 33 . VAL . 6689 1 34 . ARG . 6689 1 35 . GLU . 6689 1 36 . ALA . 6689 1 37 . PHE . 6689 1 38 . ASP . 6689 1 39 . LEU . 6689 1 40 . PHE . 6689 1 41 . ASP . 6689 1 42 . VAL . 6689 1 43 . ASP . 6689 1 44 . GLY . 6689 1 45 . SER . 6689 1 46 . GLY . 6689 1 47 . THR . 6689 1 48 . ILE . 6689 1 49 . ASP . 6689 1 50 . ALA . 6689 1 51 . LYS . 6689 1 52 . GLU . 6689 1 53 . LEU . 6689 1 54 . LYS . 6689 1 55 . VAL . 6689 1 56 . ALA . 6689 1 57 . MET . 6689 1 58 . ARG . 6689 1 59 . ALA . 6689 1 60 . LEU . 6689 1 61 . GLY . 6689 1 62 . PHE . 6689 1 63 . GLU . 6689 1 64 . PRO . 6689 1 65 . ARG . 6689 1 66 . LYS . 6689 1 67 . GLU . 6689 1 68 . GLU . 6689 1 69 . MET . 6689 1 70 . LYS . 6689 1 71 . LYS . 6689 1 72 . MET . 6689 1 73 . ILE . 6689 1 74 . SER . 6689 1 75 . GLU . 6689 1 76 . VAL . 6689 1 77 . ASP . 6689 1 78 . ARG . 6689 1 79 . GLU . 6689 1 80 . GLY . 6689 1 81 . THR . 6689 1 82 . GLY . 6689 1 83 . LYS . 6689 1 84 . ILE . 6689 1 85 . SER . 6689 1 86 . PHE . 6689 1 87 . ASN . 6689 1 88 . ASP . 6689 1 89 . PHE . 6689 1 90 . LEU . 6689 1 91 . ALA . 6689 1 92 . VAL . 6689 1 93 . MET . 6689 1 94 . THR . 6689 1 95 . GLN . 6689 1 96 . LYS . 6689 1 97 . MET . 6689 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 . MET 1 1 6689 1 . ALA 2 2 6689 1 . SER 3 3 6689 1 . GLY 4 4 6689 1 . PHE 5 5 6689 1 . LYS 6 6 6689 1 . LYS 7 7 6689 1 . PRO 8 8 6689 1 . SER 9 9 6689 1 . ALA 10 10 6689 1 . ALA 11 11 6689 1 . SER 12 12 6689 1 . THR 13 13 6689 1 . GLY 14 14 6689 1 . GLN 15 15 6689 1 . LYS 16 16 6689 1 . ARG 17 17 6689 1 . LYS 18 18 6689 1 . VAL 19 19 6689 1 . ALA 20 20 6689 1 . PRO 21 21 6689 1 . LYS 22 22 6689 1 . PRO 23 23 6689 1 . GLU 24 24 6689 1 . LEU 25 25 6689 1 . THR 26 26 6689 1 . GLU 27 27 6689 1 . ASP 28 28 6689 1 . GLN 29 29 6689 1 . LYS 30 30 6689 1 . GLN 31 31 6689 1 . GLU 32 32 6689 1 . VAL 33 33 6689 1 . ARG 34 34 6689 1 . GLU 35 35 6689 1 . ALA 36 36 6689 1 . PHE 37 37 6689 1 . ASP 38 38 6689 1 . LEU 39 39 6689 1 . PHE 40 40 6689 1 . ASP 41 41 6689 1 . VAL 42 42 6689 1 . ASP 43 43 6689 1 . GLY 44 44 6689 1 . SER 45 45 6689 1 . GLY 46 46 6689 1 . THR 47 47 6689 1 . ILE 48 48 6689 1 . ASP 49 49 6689 1 . ALA 50 50 6689 1 . LYS 51 51 6689 1 . GLU 52 52 6689 1 . LEU 53 53 6689 1 . LYS 54 54 6689 1 . VAL 55 55 6689 1 . ALA 56 56 6689 1 . MET 57 57 6689 1 . ARG 58 58 6689 1 . ALA 59 59 6689 1 . LEU 60 60 6689 1 . GLY 61 61 6689 1 . PHE 62 62 6689 1 . GLU 63 63 6689 1 . PRO 64 64 6689 1 . ARG 65 65 6689 1 . LYS 66 66 6689 1 . GLU 67 67 6689 1 . GLU 68 68 6689 1 . MET 69 69 6689 1 . LYS 70 70 6689 1 . LYS 71 71 6689 1 . MET 72 72 6689 1 . ILE 73 73 6689 1 . SER 74 74 6689 1 . GLU 75 75 6689 1 . VAL 76 76 6689 1 . ASP 77 77 6689 1 . ARG 78 78 6689 1 . GLU 79 79 6689 1 . GLY 80 80 6689 1 . THR 81 81 6689 1 . GLY 82 82 6689 1 . LYS 83 83 6689 1 . ILE 84 84 6689 1 . SER 85 85 6689 1 . PHE 86 86 6689 1 . ASN 87 87 6689 1 . ASP 88 88 6689 1 . PHE 89 89 6689 1 . LEU 90 90 6689 1 . ALA 91 91 6689 1 . VAL 92 92 6689 1 . MET 93 93 6689 1 . THR 94 94 6689 1 . GLN 95 95 6689 1 . LYS 96 96 6689 1 . MET 97 97 6689 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 6689 _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 $N-terminal_domain_of_human_centrin_1 . 9606 . no . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6689 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 6689 _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 $N-terminal_domain_of_human_centrin_1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6689 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6689 _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 . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 N-HsCen1 [U-15N] . . 1 $N-terminal_domain_of_human_centrin_1 . . . 1.0 1.3 mM . . . . 6689 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6689 _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 6.5 . pH 6689 1 temperature 298 0.2 K 6689 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer_(example) _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer_(example) _NMR_spectrometer.Entry_ID 6689 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6689 _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 'Cosy DQF' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer_(example) . . . . . . . . . . . . . . . . 6689 1 2 TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer_(example) . . . . . . . . . . . . . . . . 6689 1 3 NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer_(example) . . . . . . . . . . . . . . . . 6689 1 4 '2D (15N-1H) HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer_(example) . . . . . . . . . . . . . . . . 6689 1 5 '3D NOESy-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer_(example) . . . . . . . . . . . . . . . . 6689 1 6 TOCSY-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer_(example) . . . . . . . . . . . . . . . . 6689 1 stop_ save_ save_Cosy_DQF _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode Cosy_DQF _NMR_spec_expt.Entry_ID 6689 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 'Cosy DQF' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer_(example) _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TOCSY _NMR_spec_expt.Entry_ID 6689 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer_(example) _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NOESY _NMR_spec_expt.Entry_ID 6689 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer_(example) _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_(15N-1H)_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_(15N-1H)_HSQC _NMR_spec_expt.Entry_ID 6689 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D (15N-1H) HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer_(example) _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_NOESy-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_NOESy-HSQC _NMR_spec_expt.Entry_ID 6689 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D NOESy-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer_(example) _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_TOCSY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TOCSY-HSQC _NMR_spec_expt.Entry_ID 6689 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name TOCSY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer_(example) _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6689 _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 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6689 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6689 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6689 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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_1 isotropic 6689 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 10 10 ALA H H 1 8.46 0.01 . 1 . . . . 10 ALA H . 6689 1 2 . 1 1 10 10 ALA HA H 1 4.43 0.01 . 1 . . . . 10 ALA HA . 6689 1 3 . 1 1 10 10 ALA HB1 H 1 1.34 0.01 . 1 . . . . 10 ALA HB . 6689 1 4 . 1 1 10 10 ALA HB2 H 1 1.34 0.01 . 1 . . . . 10 ALA HB . 6689 1 5 . 1 1 10 10 ALA HB3 H 1 1.34 0.01 . 1 . . . . 10 ALA HB . 6689 1 6 . 1 1 10 10 ALA N N 15 127.0 0.1 . 1 . . . . 10 ALA N . 6689 1 7 . 1 1 11 11 ALA H H 1 7.99 0.01 . 1 . . . . 11 ALA H . 6689 1 8 . 1 1 11 11 ALA HA H 1 4.19 0.01 . 1 . . . . 11 ALA HA . 6689 1 9 . 1 1 11 11 ALA HB1 H 1 1.32 0.01 . 1 . . . . 11 ALA HB . 6689 1 10 . 1 1 11 11 ALA HB2 H 1 1.32 0.01 . 1 . . . . 11 ALA HB . 6689 1 11 . 1 1 11 11 ALA HB3 H 1 1.32 0.01 . 1 . . . . 11 ALA HB . 6689 1 12 . 1 1 11 11 ALA N N 15 126.8 0.1 . 1 . . . . 11 ALA N . 6689 1 13 . 1 1 17 17 ARG H H 1 8.28 0.01 . 1 . . . . 17 ARG H . 6689 1 14 . 1 1 17 17 ARG HA H 1 4.30 0.01 . 1 . . . . 17 ARG HA . 6689 1 15 . 1 1 17 17 ARG HB2 H 1 1.67 0.01 . 1 . . . . 17 ARG HB2 . 6689 1 16 . 1 1 17 17 ARG HB3 H 1 1.67 0.01 . 1 . . . . 17 ARG HB3 . 6689 1 17 . 1 1 17 17 ARG N N 15 124.0 0.1 . 1 . . . . 17 ARG N . 6689 1 18 . 1 1 18 18 LYS H H 1 8.44 0.01 . 1 . . . . 18 LYS H . 6689 1 19 . 1 1 18 18 LYS HA H 1 4.35 0.01 . 1 . . . . 18 LYS HA . 6689 1 20 . 1 1 18 18 LYS HB2 H 1 1.81 0.01 . 1 . . . . 18 LYS HB2 . 6689 1 21 . 1 1 18 18 LYS HB3 H 1 1.81 0.01 . 1 . . . . 18 LYS HB3 . 6689 1 22 . 1 1 18 18 LYS HG2 H 1 1.49 0.01 . 1 . . . . 18 LYS HG2 . 6689 1 23 . 1 1 18 18 LYS HG3 H 1 1.49 0.01 . 1 . . . . 18 LYS HG3 . 6689 1 24 . 1 1 18 18 LYS N N 15 124.4 0.1 . 1 . . . . 18 LYS N . 6689 1 25 . 1 1 19 19 VAL H H 1 8.17 0.01 . 1 . . . . 19 VAL H . 6689 1 26 . 1 1 19 19 VAL HA H 1 4.16 0.01 . 1 . . . . 19 VAL HA . 6689 1 27 . 1 1 19 19 VAL HB H 1 2.05 0.01 . 1 . . . . 19 VAL HB . 6689 1 28 . 1 1 19 19 VAL HG11 H 1 1.12 0.01 . 2 . . . . 19 VAL HG1 . 6689 1 29 . 1 1 19 19 VAL HG12 H 1 1.12 0.01 . 2 . . . . 19 VAL HG1 . 6689 1 30 . 1 1 19 19 VAL HG13 H 1 1.12 0.01 . 2 . . . . 19 VAL HG1 . 6689 1 31 . 1 1 19 19 VAL HG21 H 1 0.96 0.01 . 2 . . . . 19 VAL HG2 . 6689 1 32 . 1 1 19 19 VAL HG22 H 1 0.96 0.01 . 2 . . . . 19 VAL HG2 . 6689 1 33 . 1 1 19 19 VAL HG23 H 1 0.96 0.01 . 2 . . . . 19 VAL HG2 . 6689 1 34 . 1 1 19 19 VAL N N 15 122.7 0.1 . 1 . . . . 19 VAL N . 6689 1 35 . 1 1 20 20 ALA H H 1 8.39 0.01 . 1 . . . . 20 ALA H . 6689 1 36 . 1 1 20 20 ALA HA H 1 4.63 0.01 . 1 . . . . 20 ALA HA . 6689 1 37 . 1 1 20 20 ALA HB1 H 1 1.40 0.01 . 1 . . . . 20 ALA HB . 6689 1 38 . 1 1 20 20 ALA HB2 H 1 1.40 0.01 . 1 . . . . 20 ALA HB . 6689 1 39 . 1 1 20 20 ALA HB3 H 1 1.40 0.01 . 1 . . . . 20 ALA HB . 6689 1 40 . 1 1 20 20 ALA N N 15 130.2 0.1 . 1 . . . . 20 ALA N . 6689 1 41 . 1 1 21 21 PRO HA H 1 4.46 0.01 . 1 . . . . 21 PRO HA . 6689 1 42 . 1 1 21 21 PRO HB2 H 1 2.30 0.01 . 1 . . . . 21 PRO HB2 . 6689 1 43 . 1 1 21 21 PRO HB3 H 1 2.30 0.01 . 1 . . . . 21 PRO HB3 . 6689 1 44 . 1 1 21 21 PRO HG2 H 1 2.03 0.01 . 1 . . . . 21 PRO HG2 . 6689 1 45 . 1 1 21 21 PRO HG3 H 1 2.03 0.01 . 1 . . . . 21 PRO HG3 . 6689 1 46 . 1 1 21 21 PRO HD2 H 1 3.83 0.01 . 2 . . . . 21 PRO HD2 . 6689 1 47 . 1 1 21 21 PRO HD3 H 1 3.67 0.01 . 2 . . . . 21 PRO HD3 . 6689 1 48 . 1 1 22 22 LYS H H 1 8.33 0.01 . 1 . . . . 22 LYS H . 6689 1 49 . 1 1 22 22 LYS HA H 1 4.60 0.01 . 1 . . . . 22 LYS HA . 6689 1 50 . 1 1 22 22 LYS HB2 H 1 1.89 0.01 . 1 . . . . 22 LYS HB2 . 6689 1 51 . 1 1 22 22 LYS HB3 H 1 1.89 0.01 . 1 . . . . 22 LYS HB3 . 6689 1 52 . 1 1 22 22 LYS HG2 H 1 1.51 0.01 . 1 . . . . 22 LYS HG2 . 6689 1 53 . 1 1 22 22 LYS HG3 H 1 1.51 0.01 . 1 . . . . 22 LYS HG3 . 6689 1 54 . 1 1 22 22 LYS HD2 H 1 1.72 0.01 . 1 . . . . 22 LYS HD2 . 6689 1 55 . 1 1 22 22 LYS HD3 H 1 1.72 0.01 . 1 . . . . 22 LYS HD3 . 6689 1 56 . 1 1 22 22 LYS N N 15 123.3 0.1 . 1 . . . . 22 LYS N . 6689 1 57 . 1 1 23 23 PRO HA H 1 4.43 0.01 . 1 . . . . 23 PRO HA . 6689 1 58 . 1 1 23 23 PRO HB2 H 1 2.19 0.01 . 2 . . . . 23 PRO HB2 . 6689 1 59 . 1 1 23 23 PRO HB3 H 1 1.84 0.01 . 2 . . . . 23 PRO HB3 . 6689 1 60 . 1 1 23 23 PRO HD2 H 1 3.83 0.01 . 2 . . . . 23 PRO HD2 . 6689 1 61 . 1 1 23 23 PRO HD3 H 1 3.64 0.01 . 2 . . . . 23 PRO HD3 . 6689 1 62 . 1 1 24 24 GLU H H 1 8.81 0.01 . 1 . . . . 24 GLU H . 6689 1 63 . 1 1 24 24 GLU HA H 1 4.52 0.01 . 1 . . . . 24 GLU HA . 6689 1 64 . 1 1 24 24 GLU HB2 H 1 2.03 0.01 . 1 . . . . 24 GLU HB2 . 6689 1 65 . 1 1 24 24 GLU HB3 H 1 2.03 0.01 . 1 . . . . 24 GLU HB3 . 6689 1 66 . 1 1 24 24 GLU HG2 H 1 2.33 0.01 . 1 . . . . 24 GLU HG2 . 6689 1 67 . 1 1 24 24 GLU HG3 H 1 2.33 0.01 . 1 . . . . 24 GLU HG3 . 6689 1 68 . 1 1 24 24 GLU N N 15 121.8 0.1 . 1 . . . . 24 GLU N . 6689 1 69 . 1 1 25 25 LEU H H 1 8.56 0.01 . 1 . . . . 25 LEU H . 6689 1 70 . 1 1 25 25 LEU HA H 1 4.35 0.01 . 1 . . . . 25 LEU HA . 6689 1 71 . 1 1 25 25 LEU HB2 H 1 1.64 0.01 . 1 . . . . 25 LEU HB2 . 6689 1 72 . 1 1 25 25 LEU HB3 H 1 1.64 0.01 . 1 . . . . 25 LEU HB3 . 6689 1 73 . 1 1 25 25 LEU HG H 1 1.81 0.01 . 1 . . . . 25 LEU HG . 6689 1 74 . 1 1 25 25 LEU HD11 H 1 1.18 0.01 . 2 . . . . 25 LEU HD1 . 6689 1 75 . 1 1 25 25 LEU HD12 H 1 1.18 0.01 . 2 . . . . 25 LEU HD1 . 6689 1 76 . 1 1 25 25 LEU HD13 H 1 1.18 0.01 . 2 . . . . 25 LEU HD1 . 6689 1 77 . 1 1 25 25 LEU HD21 H 1 0.82 0.01 . 2 . . . . 25 LEU HD2 . 6689 1 78 . 1 1 25 25 LEU HD22 H 1 0.82 0.01 . 2 . . . . 25 LEU HD2 . 6689 1 79 . 1 1 25 25 LEU HD23 H 1 0.82 0.01 . 2 . . . . 25 LEU HD2 . 6689 1 80 . 1 1 25 25 LEU N N 15 123.7 0.1 . 1 . . . . 25 LEU N . 6689 1 81 . 1 1 26 26 THR H H 1 8.72 0.01 . 1 . . . . 26 THR H . 6689 1 82 . 1 1 26 26 THR HA H 1 4.46 0.01 . 1 . . . . 26 THR HA . 6689 1 83 . 1 1 26 26 THR HB H 1 4.52 0.01 . 1 . . . . 26 THR HB . 6689 1 84 . 1 1 26 26 THR HG21 H 1 1.40 0.01 . 1 . . . . 26 THR HG . 6689 1 85 . 1 1 26 26 THR HG22 H 1 1.40 0.01 . 1 . . . . 26 THR HG . 6689 1 86 . 1 1 26 26 THR HG23 H 1 1.40 0.01 . 1 . . . . 26 THR HG . 6689 1 87 . 1 1 26 26 THR N N 15 113.1 0.1 . 1 . . . . 26 THR N . 6689 1 88 . 1 1 27 27 GLU H H 1 9.03 0.01 . 1 . . . . 27 GLU H . 6689 1 89 . 1 1 27 27 GLU HA H 1 4.05 0.01 . 1 . . . . 27 GLU HA . 6689 1 90 . 1 1 27 27 GLU HB2 H 1 2.14 0.01 . 1 . . . . 27 GLU HB2 . 6689 1 91 . 1 1 27 27 GLU HB3 H 1 2.14 0.01 . 1 . . . . 27 GLU HB3 . 6689 1 92 . 1 1 27 27 GLU HG2 H 1 2.46 0.01 . 1 . . . . 27 GLU HG2 . 6689 1 93 . 1 1 27 27 GLU HG3 H 1 2.46 0.01 . 1 . . . . 27 GLU HG3 . 6689 1 94 . 1 1 27 27 GLU N N 15 121.5 0.1 . 1 . . . . 27 GLU N . 6689 1 95 . 1 1 28 28 ASP H H 1 8.41 0.01 . 1 . . . . 28 ASP H . 6689 1 96 . 1 1 28 28 ASP HA H 1 4.49 0.01 . 1 . . . . 28 ASP HA . 6689 1 97 . 1 1 28 28 ASP HB2 H 1 2.74 0.01 . 2 . . . . 28 ASP HB2 . 6689 1 98 . 1 1 28 28 ASP HB3 H 1 2.60 0.01 . 2 . . . . 28 ASP HB3 . 6689 1 99 . 1 1 28 28 ASP N N 15 118.8 0.1 . 1 . . . . 28 ASP N . 6689 1 100 . 1 1 29 29 GLN H H 1 7.79 0.01 . 1 . . . . 29 GLN H . 6689 1 101 . 1 1 29 29 GLN HA H 1 4.24 0.01 . 1 . . . . 29 GLN HA . 6689 1 102 . 1 1 29 29 GLN HB2 H 1 2.46 0.01 . 1 . . . . 29 GLN HB2 . 6689 1 103 . 1 1 29 29 GLN HB3 H 1 2.46 0.01 . 1 . . . . 29 GLN HB3 . 6689 1 104 . 1 1 29 29 GLN HG2 H 1 2.52 0.01 . 1 . . . . 29 GLN HG2 . 6689 1 105 . 1 1 29 29 GLN HG3 H 1 2.52 0.01 . 1 . . . . 29 GLN HG3 . 6689 1 106 . 1 1 29 29 GLN HE21 H 1 7.69 0.01 . 2 . . . . 29 GLN HE21 . 6689 1 107 . 1 1 29 29 GLN HE22 H 1 6.87 0.01 . 2 . . . . 29 GLN HE22 . 6689 1 108 . 1 1 29 29 GLN N N 15 121.1 0.1 . 1 . . . . 29 GLN N . 6689 1 109 . 1 1 29 29 GLN NE2 N 15 112.4 0.1 . 1 . . . . 29 GLN NE2 . 6689 1 110 . 1 1 30 30 LYS H H 1 8.65 0.01 . 1 . . . . 30 LYS H . 6689 1 111 . 1 1 30 30 LYS HA H 1 3.83 0.01 . 1 . . . . 30 LYS HA . 6689 1 112 . 1 1 30 30 LYS HB2 H 1 2.00 0.01 . 1 . . . . 30 LYS HB2 . 6689 1 113 . 1 1 30 30 LYS HB3 H 1 2.00 0.01 . 1 . . . . 30 LYS HB3 . 6689 1 114 . 1 1 30 30 LYS HG2 H 1 1.34 0.01 . 1 . . . . 30 LYS HG2 . 6689 1 115 . 1 1 30 30 LYS HG3 H 1 1.34 0.01 . 1 . . . . 30 LYS HG3 . 6689 1 116 . 1 1 30 30 LYS HD2 H 1 1.70 0.01 . 1 . . . . 30 LYS HD2 . 6689 1 117 . 1 1 30 30 LYS HD3 H 1 1.70 0.01 . 1 . . . . 30 LYS HD3 . 6689 1 118 . 1 1 30 30 LYS N N 15 120.0 0.1 . 1 . . . . 30 LYS N . 6689 1 119 . 1 1 31 31 GLN H H 1 8.02 0.01 . 1 . . . . 31 GLN H . 6689 1 120 . 1 1 31 31 GLN HA H 1 4.16 0.01 . 1 . . . . 31 GLN HA . 6689 1 121 . 1 1 31 31 GLN HB2 H 1 2.27 0.01 . 1 . . . . 31 GLN HB2 . 6689 1 122 . 1 1 31 31 GLN HB3 H 1 2.27 0.01 . 1 . . . . 31 GLN HB3 . 6689 1 123 . 1 1 31 31 GLN HG2 H 1 2.52 0.01 . 1 . . . . 31 GLN HG2 . 6689 1 124 . 1 1 31 31 GLN HG3 H 1 2.52 0.01 . 1 . . . . 31 GLN HG3 . 6689 1 125 . 1 1 31 31 GLN HE21 H 1 7.88 0.01 . 2 . . . . 31 GLN HE21 . 6689 1 126 . 1 1 31 31 GLN HE22 H 1 6.85 0.01 . 2 . . . . 31 GLN HE22 . 6689 1 127 . 1 1 31 31 GLN N N 15 119.9 0.1 . 1 . . . . 31 GLN N . 6689 1 128 . 1 1 31 31 GLN NE2 N 15 113.3 0.1 . 1 . . . . 31 GLN NE2 . 6689 1 129 . 1 1 32 32 GLU H H 1 7.83 0.01 . 1 . . . . 32 GLU H . 6689 1 130 . 1 1 32 32 GLU HA H 1 4.19 0.01 . 1 . . . . 32 GLU HA . 6689 1 131 . 1 1 32 32 GLU HB2 H 1 2.31 0.01 . 2 . . . . 32 GLU HB2 . 6689 1 132 . 1 1 32 32 GLU HB3 H 1 2.22 0.01 . 2 . . . . 32 GLU HB3 . 6689 1 133 . 1 1 32 32 GLU HG2 H 1 2.55 0.01 . 1 . . . . 32 GLU HG2 . 6689 1 134 . 1 1 32 32 GLU HG3 H 1 2.55 0.01 . 1 . . . . 32 GLU HG3 . 6689 1 135 . 1 1 32 32 GLU N N 15 121.3 0.1 . 1 . . . . 32 GLU N . 6689 1 136 . 1 1 33 33 VAL H H 1 8.15 0.01 . 1 . . . . 33 VAL H . 6689 1 137 . 1 1 33 33 VAL HA H 1 3.97 0.01 . 1 . . . . 33 VAL HA . 6689 1 138 . 1 1 33 33 VAL HB H 1 2.41 0.01 . 1 . . . . 33 VAL HB . 6689 1 139 . 1 1 33 33 VAL HG11 H 1 1.07 0.01 . 2 . . . . 33 VAL HG1 . 6689 1 140 . 1 1 33 33 VAL HG12 H 1 1.07 0.01 . 2 . . . . 33 VAL HG1 . 6689 1 141 . 1 1 33 33 VAL HG13 H 1 1.07 0.01 . 2 . . . . 33 VAL HG1 . 6689 1 142 . 1 1 33 33 VAL HG21 H 1 0.82 0.01 . 2 . . . . 33 VAL HG2 . 6689 1 143 . 1 1 33 33 VAL HG22 H 1 0.82 0.01 . 2 . . . . 33 VAL HG2 . 6689 1 144 . 1 1 33 33 VAL HG23 H 1 0.82 0.01 . 2 . . . . 33 VAL HG2 . 6689 1 145 . 1 1 33 33 VAL N N 15 120.8 0.1 . 1 . . . . 33 VAL N . 6689 1 146 . 1 1 34 34 ARG H H 1 8.37 0.01 . 1 . . . . 34 ARG H . 6689 1 147 . 1 1 34 34 ARG HA H 1 4.16 0.01 . 1 . . . . 34 ARG HA . 6689 1 148 . 1 1 34 34 ARG HB2 H 1 2.08 0.01 . 1 . . . . 34 ARG HB2 . 6689 1 149 . 1 1 34 34 ARG HB3 H 1 2.08 0.01 . 1 . . . . 34 ARG HB3 . 6689 1 150 . 1 1 34 34 ARG HG2 H 1 1.75 0.01 . 1 . . . . 34 ARG HG2 . 6689 1 151 . 1 1 34 34 ARG HG3 H 1 1.75 0.01 . 1 . . . . 34 ARG HG3 . 6689 1 152 . 1 1 34 34 ARG N N 15 121.6 0.1 . 1 . . . . 34 ARG N . 6689 1 153 . 1 1 35 35 GLU H H 1 8.44 0.01 . 1 . . . . 35 GLU H . 6689 1 154 . 1 1 35 35 GLU HA H 1 4.13 0.01 . 1 . . . . 35 GLU HA . 6689 1 155 . 1 1 35 35 GLU HB2 H 1 2.16 0.01 . 1 . . . . 35 GLU HB2 . 6689 1 156 . 1 1 35 35 GLU HB3 H 1 2.16 0.01 . 1 . . . . 35 GLU HB3 . 6689 1 157 . 1 1 35 35 GLU HG2 H 1 2.60 0.01 . 2 . . . . 35 GLU HG2 . 6689 1 158 . 1 1 35 35 GLU HG3 H 1 2.36 0.01 . 2 . . . . 35 GLU HG3 . 6689 1 159 . 1 1 35 35 GLU N N 15 118.9 0.1 . 1 . . . . 35 GLU N . 6689 1 160 . 1 1 36 36 ALA H H 1 7.76 0.01 . 1 . . . . 36 ALA H . 6689 1 161 . 1 1 36 36 ALA HA H 1 4.30 0.01 . 1 . . . . 36 ALA HA . 6689 1 162 . 1 1 36 36 ALA HB1 H 1 1.81 0.01 . 1 . . . . 36 ALA HB . 6689 1 163 . 1 1 36 36 ALA HB2 H 1 1.81 0.01 . 1 . . . . 36 ALA HB . 6689 1 164 . 1 1 36 36 ALA HB3 H 1 1.81 0.01 . 1 . . . . 36 ALA HB . 6689 1 165 . 1 1 36 36 ALA N N 15 121.6 0.1 . 1 . . . . 36 ALA N . 6689 1 166 . 1 1 37 37 PHE H H 1 8.24 0.01 . 1 . . . . 37 PHE H . 6689 1 167 . 1 1 37 37 PHE HA H 1 3.75 0.01 . 1 . . . . 37 PHE HA . 6689 1 168 . 1 1 37 37 PHE HB2 H 1 3.48 0.01 . 2 . . . . 37 PHE HB2 . 6689 1 169 . 1 1 37 37 PHE HB3 H 1 3.18 0.01 . 2 . . . . 37 PHE HB3 . 6689 1 170 . 1 1 37 37 PHE HD1 H 1 6.90 0.01 . 1 . . . . 37 PHE HD1 . 6689 1 171 . 1 1 37 37 PHE HD2 H 1 6.90 0.01 . 1 . . . . 37 PHE HD2 . 6689 1 172 . 1 1 37 37 PHE N N 15 118.2 0.1 . 1 . . . . 37 PHE N . 6689 1 173 . 1 1 38 38 ASP H H 1 8.82 0.01 . 1 . . . . 38 ASP H . 6689 1 174 . 1 1 38 38 ASP HA H 1 4.38 0.01 . 1 . . . . 38 ASP HA . 6689 1 175 . 1 1 38 38 ASP HB2 H 1 2.79 0.01 . 2 . . . . 38 ASP HB2 . 6689 1 176 . 1 1 38 38 ASP HB3 H 1 2.66 0.01 . 2 . . . . 38 ASP HB3 . 6689 1 177 . 1 1 38 38 ASP N N 15 117.7 0.1 . 1 . . . . 38 ASP N . 6689 1 178 . 1 1 39 39 LEU H H 1 7.37 0.01 . 1 . . . . 39 LEU H . 6689 1 179 . 1 1 39 39 LEU HA H 1 3.86 0.01 . 1 . . . . 39 LEU HA . 6689 1 180 . 1 1 39 39 LEU HB2 H 1 1.02 0.01 . 1 . . . . 39 LEU HB2 . 6689 1 181 . 1 1 39 39 LEU HB3 H 1 1.02 0.01 . 1 . . . . 39 LEU HB3 . 6689 1 182 . 1 1 39 39 LEU HG H 1 1.53 0.01 . 1 . . . . 39 LEU HG . 6689 1 183 . 1 1 39 39 LEU HD11 H 1 0.88 0.01 . 2 . . . . 39 LEU HD1 . 6689 1 184 . 1 1 39 39 LEU HD12 H 1 0.88 0.01 . 2 . . . . 39 LEU HD1 . 6689 1 185 . 1 1 39 39 LEU HD13 H 1 0.88 0.01 . 2 . . . . 39 LEU HD1 . 6689 1 186 . 1 1 39 39 LEU HD21 H 1 0.71 0.01 . 2 . . . . 39 LEU HD2 . 6689 1 187 . 1 1 39 39 LEU HD22 H 1 0.71 0.01 . 2 . . . . 39 LEU HD2 . 6689 1 188 . 1 1 39 39 LEU HD23 H 1 0.71 0.01 . 2 . . . . 39 LEU HD2 . 6689 1 189 . 1 1 39 39 LEU N N 15 120.0 0.1 . 1 . . . . 39 LEU N . 6689 1 190 . 1 1 40 40 PHE H H 1 7.36 0.01 . 1 . . . . 40 PHE H . 6689 1 191 . 1 1 40 40 PHE HA H 1 4.43 0.01 . 1 . . . . 40 PHE HA . 6689 1 192 . 1 1 40 40 PHE HB2 H 1 3.23 0.01 . 2 . . . . 40 PHE HB2 . 6689 1 193 . 1 1 40 40 PHE HB3 H 1 2.52 0.01 . 2 . . . . 40 PHE HB3 . 6689 1 194 . 1 1 40 40 PHE HD1 H 1 7.42 0.01 . 1 . . . . 40 PHE HD1 . 6689 1 195 . 1 1 40 40 PHE HD2 H 1 7.42 0.01 . 1 . . . . 40 PHE HD2 . 6689 1 196 . 1 1 40 40 PHE N N 15 114.8 0.1 . 1 . . . . 40 PHE N . 6689 1 197 . 1 1 41 41 ASP H H 1 7.54 0.01 . 1 . . . . 41 ASP H . 6689 1 198 . 1 1 41 41 ASP HA H 1 4.93 0.01 . 1 . . . . 41 ASP HA . 6689 1 199 . 1 1 41 41 ASP HB2 H 1 2.77 0.01 . 2 . . . . 41 ASP HB2 . 6689 1 200 . 1 1 41 41 ASP HB3 H 1 2.11 0.01 . 2 . . . . 41 ASP HB3 . 6689 1 201 . 1 1 41 41 ASP N N 15 123.3 0.1 . 1 . . . . 41 ASP N . 6689 1 202 . 1 1 42 42 VAL H H 1 7.79 0.01 . 1 . . . . 42 VAL H . 6689 1 203 . 1 1 42 42 VAL HA H 1 3.97 0.01 . 1 . . . . 42 VAL HA . 6689 1 204 . 1 1 42 42 VAL HB H 1 2.22 0.01 . 1 . . . . 42 VAL HB . 6689 1 205 . 1 1 42 42 VAL HG11 H 1 1.02 0.01 . 1 . . . . 42 VAL HG1 . 6689 1 206 . 1 1 42 42 VAL HG12 H 1 1.02 0.01 . 1 . . . . 42 VAL HG1 . 6689 1 207 . 1 1 42 42 VAL HG13 H 1 1.02 0.01 . 1 . . . . 42 VAL HG1 . 6689 1 208 . 1 1 42 42 VAL HG21 H 1 1.02 0.01 . 1 . . . . 42 VAL HG2 . 6689 1 209 . 1 1 42 42 VAL HG22 H 1 1.02 0.01 . 1 . . . . 42 VAL HG2 . 6689 1 210 . 1 1 42 42 VAL HG23 H 1 1.02 0.01 . 1 . . . . 42 VAL HG2 . 6689 1 211 . 1 1 42 42 VAL N N 15 120.2 0.1 . 1 . . . . 42 VAL N . 6689 1 212 . 1 1 43 43 ASP H H 1 8.48 0.01 . 1 . . . . 43 ASP H . 6689 1 213 . 1 1 43 43 ASP HA H 1 4.76 0.01 . 1 . . . . 43 ASP HA . 6689 1 214 . 1 1 43 43 ASP HB2 H 1 2.96 0.01 . 2 . . . . 43 ASP HB2 . 6689 1 215 . 1 1 43 43 ASP HB3 H 1 2.68 0.01 . 2 . . . . 43 ASP HB3 . 6689 1 216 . 1 1 43 43 ASP N N 15 118.5 0.1 . 1 . . . . 43 ASP N . 6689 1 217 . 1 1 44 44 GLY H H 1 8.00 0.01 . 1 . . . . 44 GLY H . 6689 1 218 . 1 1 44 44 GLY HA2 H 1 4.76 0.01 . 1 . . . . 44 GLY H2 . 6689 1 219 . 1 1 44 44 GLY HA3 H 1 3.91 0.01 . 1 . . . . 44 GLY H3 . 6689 1 220 . 1 1 44 44 GLY N N 15 112.2 0.1 . 1 . . . . 44 GLY N . 6689 1 221 . 1 1 45 45 SER H H 1 9.39 0.01 . 1 . . . . 45 SER H . 6689 1 222 . 1 1 45 45 SER HA H 1 4.38 0.01 . 1 . . . . 45 SER HA . 6689 1 223 . 1 1 45 45 SER HB2 H 1 3.89 0.01 . 1 . . . . 45 SER HB2 . 6689 1 224 . 1 1 45 45 SER HB3 H 1 3.89 0.01 . 1 . . . . 45 SER HB3 . 6689 1 225 . 1 1 45 45 SER N N 15 118.6 0.1 . 1 . . . . 45 SER N . 6689 1 226 . 1 1 46 46 GLY H H 1 10.85 0.01 . 1 . . . . 46 GLY H . 6689 1 227 . 1 1 46 46 GLY HA2 H 1 4.41 0.01 . 1 . . . . 46 GLY H2 . 6689 1 228 . 1 1 46 46 GLY HA3 H 1 3.91 0.01 . 1 . . . . 46 GLY H3 . 6689 1 229 . 1 1 46 46 GLY N N 15 116.8 0.1 . 1 . . . . 46 GLY N . 6689 1 230 . 1 1 47 47 THR H H 1 7.80 0.01 . 1 . . . . 47 THR H . 6689 1 231 . 1 1 47 47 THR HA H 1 5.50 0.01 . 1 . . . . 47 THR HA . 6689 1 232 . 1 1 47 47 THR HB H 1 3.94 0.01 . 1 . . . . 47 THR HB . 6689 1 233 . 1 1 47 47 THR HG21 H 1 1.10 0.01 . 1 . . . . 47 THR HG . 6689 1 234 . 1 1 47 47 THR HG22 H 1 1.10 0.01 . 1 . . . . 47 THR HG . 6689 1 235 . 1 1 47 47 THR HG23 H 1 1.10 0.01 . 1 . . . . 47 THR HG . 6689 1 236 . 1 1 47 47 THR N N 15 111.3 0.1 . 1 . . . . 47 THR N . 6689 1 237 . 1 1 48 48 ILE H H 1 8.25 0.01 . 1 . . . . 48 ILE H . 6689 1 238 . 1 1 48 48 ILE HA H 1 4.68 0.01 . 1 . . . . 48 ILE HA . 6689 1 239 . 1 1 48 48 ILE HB H 1 1.70 0.01 . 1 . . . . 48 ILE HB . 6689 1 240 . 1 1 48 48 ILE HG12 H 1 1.07 0.01 . 2 . . . . 48 ILE HG12 . 6689 1 241 . 1 1 48 48 ILE HG13 H 1 0.82 0.01 . 2 . . . . 48 ILE HG13 . 6689 1 242 . 1 1 48 48 ILE HG21 H 1 0.03 0.01 . 1 . . . . 48 ILE HG2 . 6689 1 243 . 1 1 48 48 ILE HG22 H 1 0.03 0.01 . 1 . . . . 48 ILE HG2 . 6689 1 244 . 1 1 48 48 ILE HG23 H 1 0.03 0.01 . 1 . . . . 48 ILE HG2 . 6689 1 245 . 1 1 48 48 ILE HD11 H 1 0.19 0.01 . 1 . . . . 48 ILE HD1 . 6689 1 246 . 1 1 48 48 ILE HD12 H 1 0.19 0.01 . 1 . . . . 48 ILE HD1 . 6689 1 247 . 1 1 48 48 ILE HD13 H 1 0.19 0.01 . 1 . . . . 48 ILE HD1 . 6689 1 248 . 1 1 48 48 ILE N N 15 115.7 0.1 . 1 . . . . 48 ILE N . 6689 1 249 . 1 1 49 49 ASP H H 1 8.74 0.01 . 1 . . . . 49 ASP H . 6689 1 250 . 1 1 49 49 ASP HA H 1 4.87 0.01 . 1 . . . . 49 ASP HA . 6689 1 251 . 1 1 49 49 ASP HB2 H 1 2.71 0.01 . 1 . . . . 49 ASP HB2 . 6689 1 252 . 1 1 49 49 ASP HB3 H 1 2.71 0.01 . 1 . . . . 49 ASP HB3 . 6689 1 253 . 1 1 49 49 ASP N N 15 123.4 0.1 . 1 . . . . 49 ASP N . 6689 1 254 . 1 1 50 50 ALA H H 1 8.66 0.01 . 1 . . . . 50 ALA H . 6689 1 255 . 1 1 50 50 ALA HA H 1 3.89 0.01 . 1 . . . . 50 ALA HA . 6689 1 256 . 1 1 50 50 ALA HB1 H 1 1.37 0.01 . 1 . . . . 50 ALA HB . 6689 1 257 . 1 1 50 50 ALA HB2 H 1 1.37 0.01 . 1 . . . . 50 ALA HB . 6689 1 258 . 1 1 50 50 ALA HB3 H 1 1.37 0.01 . 1 . . . . 50 ALA HB . 6689 1 259 . 1 1 50 50 ALA N N 15 127.2 0.1 . 1 . . . . 50 ALA N . 6689 1 260 . 1 1 51 51 LYS H H 1 8.89 0.01 . 1 . . . . 51 LYS H . 6689 1 261 . 1 1 51 51 LYS HA H 1 4.16 0.01 . 1 . . . . 51 LYS HA . 6689 1 262 . 1 1 51 51 LYS HB2 H 1 1.97 0.01 . 1 . . . . 51 LYS HB2 . 6689 1 263 . 1 1 51 51 LYS HB3 H 1 1.97 0.01 . 1 . . . . 51 LYS HB3 . 6689 1 264 . 1 1 51 51 LYS HG2 H 1 1.48 0.01 . 1 . . . . 51 LYS HG2 . 6689 1 265 . 1 1 51 51 LYS HG3 H 1 1.48 0.01 . 1 . . . . 51 LYS HG3 . 6689 1 266 . 1 1 51 51 LYS HD2 H 1 1.73 0.01 . 1 . . . . 51 LYS HD2 . 6689 1 267 . 1 1 51 51 LYS HD3 H 1 1.73 0.01 . 1 . . . . 51 LYS HD3 . 6689 1 268 . 1 1 51 51 LYS N N 15 117.1 0.1 . 1 . . . . 51 LYS N . 6689 1 269 . 1 1 52 52 GLU H H 1 8.07 0.01 . 1 . . . . 52 GLU H . 6689 1 270 . 1 1 52 52 GLU HA H 1 4.41 0.01 . 1 . . . . 52 GLU HA . 6689 1 271 . 1 1 52 52 GLU HB2 H 1 1.86 0.01 . 1 . . . . 52 GLU HB2 . 6689 1 272 . 1 1 52 52 GLU HB3 H 1 1.86 0.01 . 1 . . . . 52 GLU HB3 . 6689 1 273 . 1 1 52 52 GLU HG2 H 1 2.27 0.01 . 1 . . . . 52 GLU HG2 . 6689 1 274 . 1 1 52 52 GLU HG3 H 1 2.27 0.01 . 1 . . . . 52 GLU HG3 . 6689 1 275 . 1 1 52 52 GLU N N 15 118.9 0.1 . 1 . . . . 52 GLU N . 6689 1 276 . 1 1 53 53 LEU H H 1 7.66 0.01 . 1 . . . . 53 LEU H . 6689 1 277 . 1 1 53 53 LEU HA H 1 3.81 0.01 . 1 . . . . 53 LEU HA . 6689 1 278 . 1 1 53 53 LEU HB2 H 1 1.89 0.01 . 1 . . . . 53 LEU HB2 . 6689 1 279 . 1 1 53 53 LEU HB3 H 1 1.89 0.01 . 1 . . . . 53 LEU HB3 . 6689 1 280 . 1 1 53 53 LEU HG H 1 1.62 0.01 . 1 . . . . 53 LEU HG . 6689 1 281 . 1 1 53 53 LEU HD11 H 1 0.91 0.01 . 2 . . . . 53 LEU HD1 . 6689 1 282 . 1 1 53 53 LEU HD12 H 1 0.91 0.01 . 2 . . . . 53 LEU HD1 . 6689 1 283 . 1 1 53 53 LEU HD13 H 1 0.91 0.01 . 2 . . . . 53 LEU HD1 . 6689 1 284 . 1 1 53 53 LEU HD21 H 1 0.91 0.01 . 2 . . . . 53 LEU HD2 . 6689 1 285 . 1 1 53 53 LEU HD22 H 1 0.91 0.01 . 2 . . . . 53 LEU HD2 . 6689 1 286 . 1 1 53 53 LEU HD23 H 1 0.91 0.01 . 2 . . . . 53 LEU HD2 . 6689 1 287 . 1 1 53 53 LEU N N 15 121.8 0.1 . 1 . . . . 53 LEU N . 6689 1 288 . 1 1 54 54 LYS H H 1 8.25 0.01 . 1 . . . . 54 LYS H . 6689 1 289 . 1 1 54 54 LYS HA H 1 3.91 0.01 . 1 . . . . 54 LYS HA . 6689 1 290 . 1 1 54 54 LYS HB2 H 1 1.92 0.01 . 1 . . . . 54 LYS HB2 . 6689 1 291 . 1 1 54 54 LYS HB3 H 1 1.92 0.01 . 1 . . . . 54 LYS HB3 . 6689 1 292 . 1 1 54 54 LYS HG2 H 1 1.37 0.01 . 1 . . . . 54 LYS HG2 . 6689 1 293 . 1 1 54 54 LYS HG3 H 1 1.37 0.01 . 1 . . . . 54 LYS HG3 . 6689 1 294 . 1 1 54 54 LYS HD2 H 1 1.73 0.01 . 1 . . . . 54 LYS HD2 . 6689 1 295 . 1 1 54 54 LYS HD3 H 1 1.73 0.01 . 1 . . . . 54 LYS HD3 . 6689 1 296 . 1 1 54 54 LYS N N 15 116.6 0.1 . 1 . . . . 54 LYS N . 6689 1 297 . 1 1 55 55 VAL H H 1 7.18 0.01 . 1 . . . . 55 VAL H . 6689 1 298 . 1 1 55 55 VAL HA H 1 3.81 0.01 . 1 . . . . 55 VAL HA . 6689 1 299 . 1 1 55 55 VAL HB H 1 2.08 0.01 . 1 . . . . 55 VAL HB . 6689 1 300 . 1 1 55 55 VAL HG11 H 1 1.04 0.01 . 2 . . . . 55 VAL HG1 . 6689 1 301 . 1 1 55 55 VAL HG12 H 1 1.04 0.01 . 2 . . . . 55 VAL HG1 . 6689 1 302 . 1 1 55 55 VAL HG13 H 1 1.04 0.01 . 2 . . . . 55 VAL HG1 . 6689 1 303 . 1 1 55 55 VAL HG21 H 1 0.91 0.01 . 2 . . . . 55 VAL HG2 . 6689 1 304 . 1 1 55 55 VAL HG22 H 1 0.91 0.01 . 2 . . . . 55 VAL HG2 . 6689 1 305 . 1 1 55 55 VAL HG23 H 1 0.91 0.01 . 2 . . . . 55 VAL HG2 . 6689 1 306 . 1 1 55 55 VAL N N 15 117.6 0.1 . 1 . . . . 55 VAL N . 6689 1 307 . 1 1 56 56 ALA H H 1 7.95 0.01 . 1 . . . . 56 ALA H . 6689 1 308 . 1 1 56 56 ALA HA H 1 4.08 0.01 . 1 . . . . 56 ALA HA . 6689 1 309 . 1 1 56 56 ALA HB1 H 1 1.10 0.01 . 1 . . . . 56 ALA HB . 6689 1 310 . 1 1 56 56 ALA HB2 H 1 1.10 0.01 . 1 . . . . 56 ALA HB . 6689 1 311 . 1 1 56 56 ALA HB3 H 1 1.10 0.01 . 1 . . . . 56 ALA HB . 6689 1 312 . 1 1 56 56 ALA N N 15 126.0 0.1 . 1 . . . . 56 ALA N . 6689 1 313 . 1 1 57 57 MET H H 1 8.33 0.01 . 1 . . . . 57 MET H . 6689 1 314 . 1 1 57 57 MET HA H 1 4.22 0.01 . 1 . . . . 57 MET HA . 6689 1 315 . 1 1 57 57 MET HB2 H 1 2.19 0.01 . 1 . . . . 57 MET HB2 . 6689 1 316 . 1 1 57 57 MET HB3 H 1 2.19 0.01 . 1 . . . . 57 MET HB3 . 6689 1 317 . 1 1 57 57 MET HG2 H 1 2.66 0.01 . 1 . . . . 57 MET HG2 . 6689 1 318 . 1 1 57 57 MET HG3 H 1 2.66 0.01 . 1 . . . . 57 MET HG3 . 6689 1 319 . 1 1 57 57 MET HE1 H 1 3.04 0.01 . 1 . . . . 57 MET HE . 6689 1 320 . 1 1 57 57 MET HE2 H 1 3.04 0.01 . 1 . . . . 57 MET HE . 6689 1 321 . 1 1 57 57 MET HE3 H 1 3.04 0.01 . 1 . . . . 57 MET HE . 6689 1 322 . 1 1 57 57 MET N N 15 114.9 0.1 . 1 . . . . 57 MET N . 6689 1 323 . 1 1 58 58 ARG H H 1 8.07 0.01 . 1 . . . . 58 ARG H . 6689 1 324 . 1 1 58 58 ARG HA H 1 3.78 0.01 . 1 . . . . 58 ARG HA . 6689 1 325 . 1 1 58 58 ARG HB2 H 1 2.08 0.01 . 1 . . . . 58 ARG HB2 . 6689 1 326 . 1 1 58 58 ARG HB3 H 1 2.08 0.01 . 1 . . . . 58 ARG HB3 . 6689 1 327 . 1 1 58 58 ARG HG2 H 1 1.84 0.01 . 2 . . . . 58 ARG HG2 . 6689 1 328 . 1 1 58 58 ARG HG3 H 1 1.75 0.01 . 2 . . . . 58 ARG HG3 . 6689 1 329 . 1 1 58 58 ARG N N 15 121.6 0.1 . 1 . . . . 58 ARG N . 6689 1 330 . 1 1 59 59 ALA H H 1 8.09 0.01 . 1 . . . . 59 ALA H . 6689 1 331 . 1 1 59 59 ALA HA H 1 4.30 0.01 . 1 . . . . 59 ALA HA . 6689 1 332 . 1 1 59 59 ALA HB1 H 1 1.81 0.01 . 1 . . . . 59 ALA HB . 6689 1 333 . 1 1 59 59 ALA HB2 H 1 1.81 0.01 . 1 . . . . 59 ALA HB . 6689 1 334 . 1 1 59 59 ALA HB3 H 1 1.81 0.01 . 1 . . . . 59 ALA HB . 6689 1 335 . 1 1 59 59 ALA N N 15 124.5 0.1 . 1 . . . . 59 ALA N . 6689 1 336 . 1 1 60 60 LEU H H 1 7.43 0.01 . 1 . . . . 60 LEU H . 6689 1 337 . 1 1 60 60 LEU HA H 1 4.52 0.01 . 1 . . . . 60 LEU HA . 6689 1 338 . 1 1 60 60 LEU HB2 H 1 2.05 0.01 . 2 . . . . 60 LEU HB2 . 6689 1 339 . 1 1 60 60 LEU HB3 H 1 1.92 0.01 . 2 . . . . 60 LEU HB3 . 6689 1 340 . 1 1 60 60 LEU HG H 1 1.70 0.01 . 1 . . . . 60 LEU HG . 6689 1 341 . 1 1 60 60 LEU HD11 H 1 1.23 0.01 . 2 . . . . 60 LEU HD1 . 6689 1 342 . 1 1 60 60 LEU HD12 H 1 1.23 0.01 . 2 . . . . 60 LEU HD1 . 6689 1 343 . 1 1 60 60 LEU HD13 H 1 1.23 0.01 . 2 . . . . 60 LEU HD1 . 6689 1 344 . 1 1 60 60 LEU HD21 H 1 1.07 0.01 . 2 . . . . 60 LEU HD2 . 6689 1 345 . 1 1 60 60 LEU HD22 H 1 1.07 0.01 . 2 . . . . 60 LEU HD2 . 6689 1 346 . 1 1 60 60 LEU HD23 H 1 1.07 0.01 . 2 . . . . 60 LEU HD2 . 6689 1 347 . 1 1 60 60 LEU N N 15 117.4 0.1 . 1 . . . . 60 LEU N . 6689 1 348 . 1 1 61 61 GLY H H 1 8.00 0.01 . 1 . . . . 61 GLY H . 6689 1 349 . 1 1 61 61 GLY HA2 H 1 4.13 0.01 . 1 . . . . 61 GLY H2 . 6689 1 350 . 1 1 61 61 GLY HA3 H 1 3.78 0.01 . 1 . . . . 61 GLY H3 . 6689 1 351 . 1 1 61 61 GLY N N 15 107.1 0.1 . 1 . . . . 61 GLY N . 6689 1 352 . 1 1 62 62 PHE H H 1 7.98 0.01 . 1 . . . . 62 PHE H . 6689 1 353 . 1 1 62 62 PHE HA H 1 4.82 0.01 . 1 . . . . 62 PHE HA . 6689 1 354 . 1 1 62 62 PHE HB2 H 1 3.01 0.01 . 2 . . . . 62 PHE HB2 . 6689 1 355 . 1 1 62 62 PHE HB3 H 1 2.71 0.01 . 2 . . . . 62 PHE HB3 . 6689 1 356 . 1 1 62 62 PHE HD1 H 1 7.17 0.01 . 1 . . . . 62 PHE HD1 . 6689 1 357 . 1 1 62 62 PHE HD2 H 1 7.17 0.01 . 1 . . . . 62 PHE HD2 . 6689 1 358 . 1 1 62 62 PHE HE1 H 1 7.31 0.01 . 1 . . . . 62 PHE HE1 . 6689 1 359 . 1 1 62 62 PHE HE2 H 1 7.31 0.01 . 1 . . . . 62 PHE HE2 . 6689 1 360 . 1 1 62 62 PHE N N 15 120.8 0.1 . 1 . . . . 62 PHE N . 6689 1 361 . 1 1 63 63 GLU H H 1 8.48 0.01 . 1 . . . . 63 GLU H . 6689 1 362 . 1 1 63 63 GLU HA H 1 4.65 0.01 . 1 . . . . 63 GLU HA . 6689 1 363 . 1 1 63 63 GLU HB2 H 1 2.00 0.01 . 2 . . . . 63 GLU HB2 . 6689 1 364 . 1 1 63 63 GLU HB3 H 1 1.86 0.01 . 2 . . . . 63 GLU HB3 . 6689 1 365 . 1 1 63 63 GLU HG2 H 1 2.19 0.01 . 1 . . . . 63 GLU HG2 . 6689 1 366 . 1 1 63 63 GLU HG3 H 1 2.19 0.01 . 1 . . . . 63 GLU HG3 . 6689 1 367 . 1 1 63 63 GLU N N 15 124.0 0.1 . 1 . . . . 63 GLU N . 6689 1 368 . 1 1 64 64 PRO HD2 H 1 3.64 0.01 . 2 . . . . 64 PRO HD2 . 6689 1 369 . 1 1 64 64 PRO HD3 H 1 3.48 0.01 . 2 . . . . 64 PRO HD3 . 6689 1 370 . 1 1 67 67 GLU H H 1 9.45 0.01 . 1 . . . . 67 GLU H . 6689 1 371 . 1 1 67 67 GLU HA H 1 4.13 0.01 . 1 . . . . 67 GLU HA . 6689 1 372 . 1 1 67 67 GLU HB2 H 1 2.08 0.01 . 1 . . . . 67 GLU HB2 . 6689 1 373 . 1 1 67 67 GLU HB3 H 1 2.08 0.01 . 1 . . . . 67 GLU HB3 . 6689 1 374 . 1 1 67 67 GLU HG2 H 1 2.41 0.01 . 1 . . . . 67 GLU HG2 . 6689 1 375 . 1 1 67 67 GLU HG3 H 1 2.41 0.01 . 1 . . . . 67 GLU HG3 . 6689 1 376 . 1 1 67 67 GLU N N 15 119.3 0.1 . 1 . . . . 67 GLU N . 6689 1 377 . 1 1 68 68 GLU H H 1 7.46 0.01 . 1 . . . . 68 GLU H . 6689 1 378 . 1 1 68 68 GLU HA H 1 4.24 0.01 . 1 . . . . 68 GLU HA . 6689 1 379 . 1 1 68 68 GLU HB2 H 1 2.11 0.01 . 1 . . . . 68 GLU HB2 . 6689 1 380 . 1 1 68 68 GLU HB3 H 1 2.11 0.01 . 1 . . . . 68 GLU HB3 . 6689 1 381 . 1 1 68 68 GLU HG2 H 1 2.36 0.01 . 1 . . . . 68 GLU HG2 . 6689 1 382 . 1 1 68 68 GLU HG3 H 1 2.36 0.01 . 1 . . . . 68 GLU HG3 . 6689 1 383 . 1 1 68 68 GLU N N 15 120.4 0.1 . 1 . . . . 68 GLU N . 6689 1 384 . 1 1 69 69 MET H H 1 8.13 0.01 . 1 . . . . 69 MET H . 6689 1 385 . 1 1 69 69 MET HA H 1 4.32 0.01 . 1 . . . . 69 MET HA . 6689 1 386 . 1 1 69 69 MET HB2 H 1 2.19 0.01 . 1 . . . . 69 MET HB2 . 6689 1 387 . 1 1 69 69 MET HB3 H 1 2.19 0.01 . 1 . . . . 69 MET HB3 . 6689 1 388 . 1 1 69 69 MET HG2 H 1 2.60 0.01 . 2 . . . . 69 MET HG2 . 6689 1 389 . 1 1 69 69 MET HG3 H 1 2.36 0.01 . 2 . . . . 69 MET HG3 . 6689 1 390 . 1 1 69 69 MET HE1 H 1 3.04 0.01 . 1 . . . . 69 MET HE . 6689 1 391 . 1 1 69 69 MET HE2 H 1 3.04 0.01 . 1 . . . . 69 MET HE . 6689 1 392 . 1 1 69 69 MET HE3 H 1 3.04 0.01 . 1 . . . . 69 MET HE . 6689 1 393 . 1 1 69 69 MET N N 15 120.0 0.1 . 1 . . . . 69 MET N . 6689 1 394 . 1 1 70 70 LYS H H 1 7.98 0.01 . 1 . . . . 70 LYS H . 6689 1 395 . 1 1 70 70 LYS HA H 1 4.00 0.01 . 1 . . . . 70 LYS HA . 6689 1 396 . 1 1 70 70 LYS HB2 H 1 1.92 0.01 . 1 . . . . 70 LYS HB2 . 6689 1 397 . 1 1 70 70 LYS HB3 H 1 1.92 0.01 . 1 . . . . 70 LYS HB3 . 6689 1 398 . 1 1 70 70 LYS HG2 H 1 1.59 0.01 . 2 . . . . 70 LYS HG2 . 6689 1 399 . 1 1 70 70 LYS HG3 H 1 1.45 0.01 . 2 . . . . 70 LYS HG3 . 6689 1 400 . 1 1 70 70 LYS HD2 H 1 1.75 0.01 . 1 . . . . 70 LYS HD2 . 6689 1 401 . 1 1 70 70 LYS HD3 H 1 1.75 0.01 . 1 . . . . 70 LYS HD3 . 6689 1 402 . 1 1 70 70 LYS N N 15 119.1 0.1 . 1 . . . . 70 LYS N . 6689 1 403 . 1 1 71 71 LYS H H 1 7.58 0.01 . 1 . . . . 71 LYS H . 6689 1 404 . 1 1 71 71 LYS HA H 1 4.13 0.01 . 1 . . . . 71 LYS HA . 6689 1 405 . 1 1 71 71 LYS HB2 H 1 1.95 0.01 . 1 . . . . 71 LYS HB2 . 6689 1 406 . 1 1 71 71 LYS HB3 H 1 1.95 0.01 . 1 . . . . 71 LYS HB3 . 6689 1 407 . 1 1 71 71 LYS HG2 H 1 1.57 0.01 . 2 . . . . 71 LYS HG2 . 6689 1 408 . 1 1 71 71 LYS HG3 H 1 1.45 0.01 . 2 . . . . 71 LYS HG3 . 6689 1 409 . 1 1 71 71 LYS HD2 H 1 1.73 0.01 . 1 . . . . 71 LYS HD2 . 6689 1 410 . 1 1 71 71 LYS HD3 H 1 1.73 0.01 . 1 . . . . 71 LYS HD3 . 6689 1 411 . 1 1 71 71 LYS N N 15 120.1 0.1 . 1 . . . . 71 LYS N . 6689 1 412 . 1 1 72 72 MET H H 1 8.17 0.01 . 1 . . . . 72 MET H . 6689 1 413 . 1 1 72 72 MET HA H 1 4.16 0.01 . 1 . . . . 72 MET HA . 6689 1 414 . 1 1 72 72 MET HB2 H 1 2.27 0.01 . 2 . . . . 72 MET HB2 . 6689 1 415 . 1 1 72 72 MET HB3 H 1 2.05 0.01 . 2 . . . . 72 MET HB3 . 6689 1 416 . 1 1 72 72 MET HG2 H 1 2.52 0.01 . 1 . . . . 72 MET HG2 . 6689 1 417 . 1 1 72 72 MET HG3 H 1 2.52 0.01 . 1 . . . . 72 MET HG3 . 6689 1 418 . 1 1 72 72 MET HE1 H 1 2.74 0.01 . 1 . . . . 72 MET HE . 6689 1 419 . 1 1 72 72 MET HE2 H 1 2.74 0.01 . 1 . . . . 72 MET HE . 6689 1 420 . 1 1 72 72 MET HE3 H 1 2.74 0.01 . 1 . . . . 72 MET HE . 6689 1 421 . 1 1 72 72 MET N N 15 119.4 0.1 . 1 . . . . 72 MET N . 6689 1 422 . 1 1 73 73 ILE H H 1 8.32 0.01 . 1 . . . . 73 ILE H . 6689 1 423 . 1 1 73 73 ILE HA H 1 3.75 0.01 . 1 . . . . 73 ILE HA . 6689 1 424 . 1 1 73 73 ILE HB H 1 1.95 0.01 . 1 . . . . 73 ILE HB . 6689 1 425 . 1 1 73 73 ILE HG12 H 1 1.73 0.01 . 2 . . . . 73 ILE HG12 . 6689 1 426 . 1 1 73 73 ILE HG13 H 1 1.18 0.01 . 2 . . . . 73 ILE HG13 . 6689 1 427 . 1 1 73 73 ILE HG21 H 1 0.96 0.01 . 1 . . . . 73 ILE HG2 . 6689 1 428 . 1 1 73 73 ILE HG22 H 1 0.96 0.01 . 1 . . . . 73 ILE HG2 . 6689 1 429 . 1 1 73 73 ILE HG23 H 1 0.96 0.01 . 1 . . . . 73 ILE HG2 . 6689 1 430 . 1 1 73 73 ILE HD11 H 1 0.88 0.01 . 1 . . . . 73 ILE HD1 . 6689 1 431 . 1 1 73 73 ILE HD12 H 1 0.88 0.01 . 1 . . . . 73 ILE HD1 . 6689 1 432 . 1 1 73 73 ILE HD13 H 1 0.88 0.01 . 1 . . . . 73 ILE HD1 . 6689 1 433 . 1 1 73 73 ILE N N 15 118.8 0.1 . 1 . . . . 73 ILE N . 6689 1 434 . 1 1 74 74 SER H H 1 7.72 0.01 . 1 . . . . 74 SER H . 6689 1 435 . 1 1 74 74 SER HA H 1 4.32 0.01 . 1 . . . . 74 SER HA . 6689 1 436 . 1 1 74 74 SER HB2 H 1 4.02 0.01 . 1 . . . . 74 SER HB2 . 6689 1 437 . 1 1 74 74 SER HB3 H 1 4.02 0.01 . 1 . . . . 74 SER HB3 . 6689 1 438 . 1 1 74 74 SER N N 15 115.0 0.1 . 1 . . . . 74 SER N . 6689 1 439 . 1 1 75 75 GLU H H 1 7.68 0.01 . 1 . . . . 75 GLU H . 6689 1 440 . 1 1 75 75 GLU HA H 1 4.24 0.01 . 1 . . . . 75 GLU HA . 6689 1 441 . 1 1 75 75 GLU HB2 H 1 2.14 0.01 . 1 . . . . 75 GLU HB2 . 6689 1 442 . 1 1 75 75 GLU HB3 H 1 2.14 0.01 . 1 . . . . 75 GLU HB3 . 6689 1 443 . 1 1 75 75 GLU HG2 H 1 2.44 0.01 . 1 . . . . 75 GLU HG2 . 6689 1 444 . 1 1 75 75 GLU HG3 H 1 2.44 0.01 . 1 . . . . 75 GLU HG3 . 6689 1 445 . 1 1 75 75 GLU N N 15 119.9 0.1 . 1 . . . . 75 GLU N . 6689 1 446 . 1 1 76 76 VAL H H 1 7.83 0.01 . 1 . . . . 76 VAL H . 6689 1 447 . 1 1 76 76 VAL HA H 1 4.35 0.01 . 1 . . . . 76 VAL HA . 6689 1 448 . 1 1 76 76 VAL HB H 1 2.27 0.01 . 1 . . . . 76 VAL HB . 6689 1 449 . 1 1 76 76 VAL HG11 H 1 1.04 0.01 . 2 . . . . 76 VAL HG1 . 6689 1 450 . 1 1 76 76 VAL HG12 H 1 1.04 0.01 . 2 . . . . 76 VAL HG1 . 6689 1 451 . 1 1 76 76 VAL HG13 H 1 1.04 0.01 . 2 . . . . 76 VAL HG1 . 6689 1 452 . 1 1 76 76 VAL HG21 H 1 0.91 0.01 . 2 . . . . 76 VAL HG2 . 6689 1 453 . 1 1 76 76 VAL HG22 H 1 0.91 0.01 . 2 . . . . 76 VAL HG2 . 6689 1 454 . 1 1 76 76 VAL HG23 H 1 0.91 0.01 . 2 . . . . 76 VAL HG2 . 6689 1 455 . 1 1 76 76 VAL N N 15 113.8 0.1 . 1 . . . . 76 VAL N . 6689 1 456 . 1 1 77 77 ASP H H 1 8.24 0.01 . 1 . . . . 77 ASP H . 6689 1 457 . 1 1 77 77 ASP HA H 1 5.09 0.01 . 1 . . . . 77 ASP HA . 6689 1 458 . 1 1 77 77 ASP HB2 H 1 2.90 0.01 . 2 . . . . 77 ASP HB2 . 6689 1 459 . 1 1 77 77 ASP HB3 H 1 2.41 0.01 . 2 . . . . 77 ASP HB3 . 6689 1 460 . 1 1 77 77 ASP N N 15 122.7 0.1 . 1 . . . . 77 ASP N . 6689 1 461 . 1 1 78 78 ARG H H 1 8.20 0.01 . 1 . . . . 78 ARG H . 6689 1 462 . 1 1 78 78 ARG HA H 1 4.16 0.01 . 1 . . . . 78 ARG HA . 6689 1 463 . 1 1 78 78 ARG HB2 H 1 1.95 0.01 . 1 . . . . 78 ARG HB2 . 6689 1 464 . 1 1 78 78 ARG HB3 H 1 1.95 0.01 . 1 . . . . 78 ARG HB3 . 6689 1 465 . 1 1 78 78 ARG HG2 H 1 1.73 0.01 . 1 . . . . 78 ARG HG2 . 6689 1 466 . 1 1 78 78 ARG HG3 H 1 1.73 0.01 . 1 . . . . 78 ARG HG3 . 6689 1 467 . 1 1 78 78 ARG HD2 H 1 3.31 0.01 . 1 . . . . 78 ARG HD2 . 6689 1 468 . 1 1 78 78 ARG HD3 H 1 3.31 0.01 . 1 . . . . 78 ARG HD3 . 6689 1 469 . 1 1 78 78 ARG N N 15 123.0 0.1 . 1 . . . . 78 ARG N . 6689 1 470 . 1 1 79 79 GLU H H 1 8.76 0.01 . 1 . . . . 79 GLU H . 6689 1 471 . 1 1 79 79 GLU HA H 1 4.43 0.01 . 1 . . . . 79 GLU HA . 6689 1 472 . 1 1 79 79 GLU HB2 H 1 2.08 0.01 . 1 . . . . 79 GLU HB2 . 6689 1 473 . 1 1 79 79 GLU HB3 H 1 2.08 0.01 . 1 . . . . 79 GLU HB3 . 6689 1 474 . 1 1 79 79 GLU HG2 H 1 2.33 0.01 . 1 . . . . 79 GLU HG2 . 6689 1 475 . 1 1 79 79 GLU HG3 H 1 2.33 0.01 . 1 . . . . 79 GLU HG3 . 6689 1 476 . 1 1 79 79 GLU N N 15 116.8 0.1 . 1 . . . . 79 GLU N . 6689 1 477 . 1 1 80 80 GLY H H 1 7.95 0.01 . 1 . . . . 80 GLY H . 6689 1 478 . 1 1 80 80 GLY HA2 H 1 3.94 0.01 . 2 . . . . 80 GLY H2 . 6689 1 479 . 1 1 80 80 GLY HA3 H 1 3.89 0.01 . 2 . . . . 80 GLY H3 . 6689 1 480 . 1 1 80 80 GLY N N 15 110.1 0.1 . 1 . . . . 80 GLY N . 6689 1 481 . 1 1 81 81 THR H H 1 9.04 0.01 . 1 . . . . 81 THR H . 6689 1 482 . 1 1 81 81 THR HA H 1 4.32 0.01 . 1 . . . . 81 THR HA . 6689 1 483 . 1 1 81 81 THR HB H 1 4.35 0.01 . 1 . . . . 81 THR HB . 6689 1 484 . 1 1 81 81 THR HG21 H 1 1.29 0.01 . 1 . . . . 81 THR HG . 6689 1 485 . 1 1 81 81 THR HG22 H 1 1.29 0.01 . 1 . . . . 81 THR HG . 6689 1 486 . 1 1 81 81 THR HG23 H 1 1.29 0.01 . 1 . . . . 81 THR HG . 6689 1 487 . 1 1 81 81 THR N N 15 113.5 0.1 . 1 . . . . 81 THR N . 6689 1 488 . 1 1 82 82 GLY H H 1 10.29 0.01 . 1 . . . . 82 GLY H . 6689 1 489 . 1 1 82 82 GLY HA2 H 1 4.21 0.01 . 2 . . . . 82 GLY H2 . 6689 1 490 . 1 1 82 82 GLY HA3 H 1 3.67 0.01 . 2 . . . . 82 GLY H3 . 6689 1 491 . 1 1 82 82 GLY N N 15 114.4 0.1 . 1 . . . . 82 GLY N . 6689 1 492 . 1 1 83 83 LYS H H 1 7.89 0.01 . 1 . . . . 83 LYS H . 6689 1 493 . 1 1 83 83 LYS HA H 1 5.01 0.01 . 1 . . . . 83 LYS HA . 6689 1 494 . 1 1 83 83 LYS HB2 H 1 1.78 0.01 . 1 . . . . 83 LYS HB2 . 6689 1 495 . 1 1 83 83 LYS HB3 H 1 1.78 0.01 . 1 . . . . 83 LYS HB3 . 6689 1 496 . 1 1 83 83 LYS HG2 H 1 1.43 0.01 . 2 . . . . 83 LYS HG2 . 6689 1 497 . 1 1 83 83 LYS HG3 H 1 1.35 0.01 . 2 . . . . 83 LYS HG3 . 6689 1 498 . 1 1 83 83 LYS HD2 H 1 1.56 0.01 . 1 . . . . 83 LYS HD2 . 6689 1 499 . 1 1 83 83 LYS HD3 H 1 1.56 0.01 . 1 . . . . 83 LYS HD3 . 6689 1 500 . 1 1 83 83 LYS N N 15 120.9 0.1 . 1 . . . . 83 LYS N . 6689 1 501 . 1 1 84 84 ILE H H 1 9.10 0.01 . 1 . . . . 84 ILE H . 6689 1 502 . 1 1 84 84 ILE HA H 1 4.65 0.01 . 1 . . . . 84 ILE HA . 6689 1 503 . 1 1 84 84 ILE HB H 1 2.00 0.01 . 1 . . . . 84 ILE HB . 6689 1 504 . 1 1 84 84 ILE HG12 H 1 1.84 0.01 . 2 . . . . 84 ILE HG12 . 6689 1 505 . 1 1 84 84 ILE HG13 H 1 1.67 0.01 . 2 . . . . 84 ILE HG13 . 6689 1 506 . 1 1 84 84 ILE HG21 H 1 1.10 0.01 . 1 . . . . 84 ILE HG2 . 6689 1 507 . 1 1 84 84 ILE HG22 H 1 1.10 0.01 . 1 . . . . 84 ILE HG2 . 6689 1 508 . 1 1 84 84 ILE HG23 H 1 1.10 0.01 . 1 . . . . 84 ILE HG2 . 6689 1 509 . 1 1 84 84 ILE HD11 H 1 0.88 0.01 . 1 . . . . 84 ILE HD1 . 6689 1 510 . 1 1 84 84 ILE HD12 H 1 0.88 0.01 . 1 . . . . 84 ILE HD1 . 6689 1 511 . 1 1 84 84 ILE HD13 H 1 0.88 0.01 . 1 . . . . 84 ILE HD1 . 6689 1 512 . 1 1 84 84 ILE N N 15 121.2 0.1 . 1 . . . . 84 ILE N . 6689 1 513 . 1 1 85 85 SER H H 1 9.44 0.01 . 1 . . . . 85 SER H . 6689 1 514 . 1 1 85 85 SER HA H 1 5.12 0.01 . 1 . . . . 85 SER HA . 6689 1 515 . 1 1 85 85 SER HB2 H 1 4.19 0.01 . 1 . . . . 85 SER HB2 . 6689 1 516 . 1 1 85 85 SER HB3 H 1 3.42 0.01 . 1 . . . . 85 SER HB3 . 6689 1 517 . 1 1 85 85 SER N N 15 123.3 0.1 . 1 . . . . 85 SER N . 6689 1 518 . 1 1 86 86 PHE H H 1 8.36 0.01 . 1 . . . . 86 PHE H . 6689 1 519 . 1 1 86 86 PHE HA H 1 4.41 0.01 . 1 . . . . 86 PHE HA . 6689 1 520 . 1 1 86 86 PHE HB2 H 1 2.60 0.01 . 2 . . . . 86 PHE HB2 . 6689 1 521 . 1 1 86 86 PHE HB3 H 1 2.33 0.01 . 2 . . . . 86 PHE HB3 . 6689 1 522 . 1 1 86 86 PHE HD1 H 1 6.54 0.01 . 1 . . . . 86 PHE HD1 . 6689 1 523 . 1 1 86 86 PHE HD2 H 1 6.54 0.01 . 1 . . . . 86 PHE HD2 . 6689 1 524 . 1 1 86 86 PHE HE1 H 1 7.17 0.01 . 1 . . . . 86 PHE HE1 . 6689 1 525 . 1 1 86 86 PHE HE2 H 1 7.17 0.01 . 1 . . . . 86 PHE HE2 . 6689 1 526 . 1 1 86 86 PHE N N 15 122.7 0.1 . 1 . . . . 86 PHE N . 6689 1 527 . 1 1 87 87 ASN H H 1 8.66 0.01 . 1 . . . . 87 ASN H . 6689 1 528 . 1 1 87 87 ASN HA H 1 4.05 0.01 . 1 . . . . 87 ASN HA . 6689 1 529 . 1 1 87 87 ASN HB2 H 1 2.71 0.01 . 1 . . . . 87 ASN HB2 . 6689 1 530 . 1 1 87 87 ASN HB3 H 1 2.71 0.01 . 1 . . . . 87 ASN HB3 . 6689 1 531 . 1 1 87 87 ASN HD21 H 1 7.65 0.01 . 2 . . . . 87 ASN HD21 . 6689 1 532 . 1 1 87 87 ASN HD22 H 1 6.94 0.01 . 2 . . . . 87 ASN HD22 . 6689 1 533 . 1 1 87 87 ASN N N 15 116.7 0.1 . 1 . . . . 87 ASN N . 6689 1 534 . 1 1 87 87 ASN ND2 N 15 112.9 0.1 . 1 . . . . 87 ASN ND2 . 6689 1 535 . 1 1 88 88 ASP H H 1 7.61 0.01 . 1 . . . . 88 ASP H . 6689 1 536 . 1 1 88 88 ASP HA H 1 4.54 0.01 . 1 . . . . 88 ASP HA . 6689 1 537 . 1 1 88 88 ASP HB2 H 1 3.01 0.01 . 2 . . . . 88 ASP HB2 . 6689 1 538 . 1 1 88 88 ASP HB3 H 1 2.68 0.01 . 2 . . . . 88 ASP HB3 . 6689 1 539 . 1 1 88 88 ASP N N 15 120.9 0.1 . 1 . . . . 88 ASP N . 6689 1 540 . 1 1 89 89 PHE H H 1 8.17 0.01 . 1 . . . . 89 PHE H . 6689 1 541 . 1 1 89 89 PHE HA H 1 4.13 0.01 . 1 . . . . 89 PHE HA . 6689 1 542 . 1 1 89 89 PHE HB2 H 1 3.09 0.01 . 2 . . . . 89 PHE HB2 . 6689 1 543 . 1 1 89 89 PHE HB3 H 1 3.04 0.01 . 2 . . . . 89 PHE HB3 . 6689 1 544 . 1 1 89 89 PHE HD1 H 1 7.03 0.01 . 1 . . . . 89 PHE HD1 . 6689 1 545 . 1 1 89 89 PHE HD2 H 1 7.03 0.01 . 1 . . . . 89 PHE HD2 . 6689 1 546 . 1 1 89 89 PHE N N 15 122.7 0.1 . 1 . . . . 89 PHE N . 6689 1 547 . 1 1 90 90 LEU H H 1 8.69 0.01 . 1 . . . . 90 LEU H . 6689 1 548 . 1 1 90 90 LEU HA H 1 3.56 0.01 . 1 . . . . 90 LEU HA . 6689 1 549 . 1 1 90 90 LEU HB2 H 1 1.43 0.01 . 1 . . . . 90 LEU HB2 . 6689 1 550 . 1 1 90 90 LEU HB3 H 1 1.43 0.01 . 1 . . . . 90 LEU HB3 . 6689 1 551 . 1 1 90 90 LEU HG H 1 1.29 0.01 . 1 . . . . 90 LEU HG . 6689 1 552 . 1 1 90 90 LEU HD11 H 1 1.04 0.01 . 2 . . . . 90 LEU HD1 . 6689 1 553 . 1 1 90 90 LEU HD12 H 1 1.04 0.01 . 2 . . . . 90 LEU HD1 . 6689 1 554 . 1 1 90 90 LEU HD13 H 1 1.04 0.01 . 2 . . . . 90 LEU HD1 . 6689 1 555 . 1 1 90 90 LEU HD21 H 1 0.85 0.01 . 2 . . . . 90 LEU HD2 . 6689 1 556 . 1 1 90 90 LEU HD22 H 1 0.85 0.01 . 2 . . . . 90 LEU HD2 . 6689 1 557 . 1 1 90 90 LEU HD23 H 1 0.85 0.01 . 2 . . . . 90 LEU HD2 . 6689 1 558 . 1 1 90 90 LEU N N 15 119.9 0.1 . 1 . . . . 90 LEU N . 6689 1 559 . 1 1 91 91 ALA H H 1 7.68 0.01 . 1 . . . . 91 ALA H . 6689 1 560 . 1 1 91 91 ALA HA H 1 4.05 0.01 . 1 . . . . 91 ALA HA . 6689 1 561 . 1 1 91 91 ALA HB1 H 1 1.53 0.01 . 1 . . . . 91 ALA HB . 6689 1 562 . 1 1 91 91 ALA HB2 H 1 1.53 0.01 . 1 . . . . 91 ALA HB . 6689 1 563 . 1 1 91 91 ALA HB3 H 1 1.53 0.01 . 1 . . . . 91 ALA HB . 6689 1 564 . 1 1 91 91 ALA N N 15 123.2 0.1 . 1 . . . . 91 ALA N . 6689 1 565 . 1 1 92 92 VAL H H 1 7.68 0.01 . 1 . . . . 92 VAL H . 6689 1 566 . 1 1 92 92 VAL HA H 1 3.81 0.01 . 1 . . . . 92 VAL HA . 6689 1 567 . 1 1 92 92 VAL HB H 1 2.08 0.01 . 1 . . . . 92 VAL HB . 6689 1 568 . 1 1 92 92 VAL HG11 H 1 1.04 0.01 . 1 . . . . 92 VAL HG1 . 6689 1 569 . 1 1 92 92 VAL HG12 H 1 1.04 0.01 . 1 . . . . 92 VAL HG1 . 6689 1 570 . 1 1 92 92 VAL HG13 H 1 1.04 0.01 . 1 . . . . 92 VAL HG1 . 6689 1 571 . 1 1 92 92 VAL HG21 H 1 0.91 0.01 . 1 . . . . 92 VAL HG2 . 6689 1 572 . 1 1 92 92 VAL HG22 H 1 0.91 0.01 . 1 . . . . 92 VAL HG2 . 6689 1 573 . 1 1 92 92 VAL HG23 H 1 0.91 0.01 . 1 . . . . 92 VAL HG2 . 6689 1 574 . 1 1 92 92 VAL N N 15 118.1 0.1 . 1 . . . . 92 VAL N . 6689 1 575 . 1 1 93 93 MET H H 1 7.94 0.01 . 1 . . . . 93 MET H . 6689 1 576 . 1 1 93 93 MET HA H 1 4.22 0.01 . 1 . . . . 93 MET HA . 6689 1 577 . 1 1 93 93 MET HB2 H 1 1.67 0.01 . 1 . . . . 93 MET HB2 . 6689 1 578 . 1 1 93 93 MET HB3 H 1 1.67 0.01 . 1 . . . . 93 MET HB3 . 6689 1 579 . 1 1 93 93 MET HG2 H 1 1.84 0.01 . 1 . . . . 93 MET HG2 . 6689 1 580 . 1 1 93 93 MET HG3 H 1 1.84 0.01 . 1 . . . . 93 MET HG3 . 6689 1 581 . 1 1 93 93 MET N N 15 117.7 0.1 . 1 . . . . 93 MET N . 6689 1 582 . 1 1 94 94 THR H H 1 8.13 0.01 . 1 . . . . 94 THR H . 6689 1 583 . 1 1 94 94 THR HA H 1 3.91 0.01 . 1 . . . . 94 THR HA . 6689 1 584 . 1 1 94 94 THR HB H 1 4.27 0.01 . 1 . . . . 94 THR HB . 6689 1 585 . 1 1 94 94 THR HG21 H 1 1.18 0.01 . 1 . . . . 94 THR HG . 6689 1 586 . 1 1 94 94 THR HG22 H 1 1.18 0.01 . 1 . . . . 94 THR HG . 6689 1 587 . 1 1 94 94 THR HG23 H 1 1.18 0.01 . 1 . . . . 94 THR HG . 6689 1 588 . 1 1 94 94 THR N N 15 115.4 0.1 . 1 . . . . 94 THR N . 6689 1 589 . 1 1 95 95 GLN H H 1 7.25 0.01 . 1 . . . . 95 GLN H . 6689 1 590 . 1 1 95 95 GLN HA H 1 4.19 0.01 . 1 . . . . 95 GLN HA . 6689 1 591 . 1 1 95 95 GLN HB2 H 1 2.27 0.01 . 2 . . . . 95 GLN HB2 . 6689 1 592 . 1 1 95 95 GLN HB3 H 1 2.11 0.01 . 2 . . . . 95 GLN HB3 . 6689 1 593 . 1 1 95 95 GLN HG2 H 1 2.46 0.01 . 1 . . . . 95 GLN HG2 . 6689 1 594 . 1 1 95 95 GLN HG3 H 1 2.46 0.01 . 1 . . . . 95 GLN HG3 . 6689 1 595 . 1 1 95 95 GLN HE21 H 1 7.46 0.01 . 2 . . . . 95 GLN HE21 . 6689 1 596 . 1 1 95 95 GLN HE22 H 1 6.98 0.01 . 2 . . . . 95 GLN HE22 . 6689 1 597 . 1 1 95 95 GLN N N 15 117.2 0.1 . 1 . . . . 95 GLN N . 6689 1 598 . 1 1 95 95 GLN NE2 N 15 113.2 0.1 . 1 . . . . 95 GLN NE2 . 6689 1 599 . 1 1 96 96 LYS H H 1 7.47 0.01 . 1 . . . . 96 LYS H . 6689 1 600 . 1 1 96 96 LYS HA H 1 4.24 0.01 . 1 . . . . 96 LYS HA . 6689 1 601 . 1 1 96 96 LYS HB2 H 1 1.32 0.01 . 1 . . . . 96 LYS HB2 . 6689 1 602 . 1 1 96 96 LYS HB3 H 1 1.32 0.01 . 1 . . . . 96 LYS HB3 . 6689 1 603 . 1 1 96 96 LYS HG2 H 1 1.10 0.01 . 1 . . . . 96 LYS HG2 . 6689 1 604 . 1 1 96 96 LYS HG3 H 1 1.10 0.01 . 1 . . . . 96 LYS HG3 . 6689 1 605 . 1 1 96 96 LYS N N 15 118.4 0.1 . 1 . . . . 96 LYS N . 6689 1 606 . 1 1 97 97 MET H H 1 7.40 0.01 . 1 . . . . 97 MET H . 6689 1 607 . 1 1 97 97 MET HA H 1 4.11 0.01 . 1 . . . . 97 MET HA . 6689 1 608 . 1 1 97 97 MET HB2 H 1 1.84 0.01 . 1 . . . . 97 MET HB2 . 6689 1 609 . 1 1 97 97 MET HB3 H 1 1.84 0.01 . 1 . . . . 97 MET HB3 . 6689 1 610 . 1 1 97 97 MET HG2 H 1 2.52 0.01 . 1 . . . . 97 MET HG2 . 6689 1 611 . 1 1 97 97 MET HG3 H 1 2.52 0.01 . 1 . . . . 97 MET HG3 . 6689 1 612 . 1 1 97 97 MET HE1 H 1 2.16 0.01 . 1 . . . . 97 MET HE . 6689 1 613 . 1 1 97 97 MET HE2 H 1 2.16 0.01 . 1 . . . . 97 MET HE . 6689 1 614 . 1 1 97 97 MET HE3 H 1 2.16 0.01 . 1 . . . . 97 MET HE . 6689 1 615 . 1 1 97 97 MET N N 15 118.4 0.1 . 1 . . . . 97 MET N . 6689 1 stop_ save_