data_18126 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18126 _Entry.Title ; Backbone Chemical Shifts of the designed protein Z-L2LBT ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-08 _Entry.Accession_date 2011-12-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Adam Barb . W. . 18126 2 Tienhuei Ho . G. . 18126 3 James Prestegard . H. . 18126 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18126 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 223 18126 '15N chemical shifts' 73 18126 '1H chemical shifts' 73 18126 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 2 . . 2014-02-26 2011-12-08 update BMRB 'update entry citation' 18126 1 . . 2012-09-10 2011-12-08 original author 'original release' 18126 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LR2 'BMRB Entry Tracking System' 18126 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18126 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22851279 _Citation.Full_citation . _Citation.Title 'Lanthanide binding and IgG affinity construct: potential applications in solution NMR, MRI, and luminescence microscopy.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 21 _Citation.Journal_issue 10 _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 1456 _Citation.Page_last 1466 _Citation.Year 2012 _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 Adam Barb . W. . 18126 1 2 'Tienhuei Grace' Ho . . . 18126 1 3 Heather Flanagan-Steet . . . 18126 1 4 James Prestegard . H. . 18126 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18126 _Assembly.ID 1 _Assembly.Name Z-L2LBT _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 no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Z-L2LBT 1 $Z-L2LBT A . yes native no no . . . 18126 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Z-L2LBT _Entity.Sf_category entity _Entity.Sf_framecode Z-L2LBT _Entity.Entry_ID 18126 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Z-L2LBT _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 ; MGSSHHHHHHSSGVDNKFNK EQQNAFYEILHLPNLNEEQR NAFIQSLKDDSYIDTNNDGA YEGDELSGSQSANLLAEAKK LNDAQAPK ; _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 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LR2 . "Designed Igg And Lanthanide Binding Probe For Solution Nmr, Mri And Luminescence Microscopy" . . . . . 100.00 88 100.00 100.00 1.51e-55 . . . . 18126 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 1 MET . 18126 1 2 2 GLY . 18126 1 3 3 SER . 18126 1 4 4 SER . 18126 1 5 5 HIS . 18126 1 6 6 HIS . 18126 1 7 7 HIS . 18126 1 8 8 HIS . 18126 1 9 9 HIS . 18126 1 10 10 HIS . 18126 1 11 11 SER . 18126 1 12 12 SER . 18126 1 13 13 GLY . 18126 1 14 14 VAL . 18126 1 15 15 ASP . 18126 1 16 16 ASN . 18126 1 17 17 LYS . 18126 1 18 18 PHE . 18126 1 19 19 ASN . 18126 1 20 20 LYS . 18126 1 21 21 GLU . 18126 1 22 22 GLN . 18126 1 23 23 GLN . 18126 1 24 24 ASN . 18126 1 25 25 ALA . 18126 1 26 26 PHE . 18126 1 27 27 TYR . 18126 1 28 28 GLU . 18126 1 29 29 ILE . 18126 1 30 30 LEU . 18126 1 31 31 HIS . 18126 1 32 32 LEU . 18126 1 33 33 PRO . 18126 1 34 34 ASN . 18126 1 35 35 LEU . 18126 1 36 36 ASN . 18126 1 37 37 GLU . 18126 1 38 38 GLU . 18126 1 39 39 GLN . 18126 1 40 40 ARG . 18126 1 41 41 ASN . 18126 1 42 42 ALA . 18126 1 43 43 PHE . 18126 1 44 44 ILE . 18126 1 45 45 GLN . 18126 1 46 46 SER . 18126 1 47 47 LEU . 18126 1 48 48 LYS . 18126 1 49 49 ASP . 18126 1 50 50 ASP . 18126 1 51 51 SER . 18126 1 52 52 TYR . 18126 1 53 53 ILE . 18126 1 54 54 ASP . 18126 1 55 55 THR . 18126 1 56 56 ASN . 18126 1 57 57 ASN . 18126 1 58 58 ASP . 18126 1 59 59 GLY . 18126 1 60 60 ALA . 18126 1 61 61 TYR . 18126 1 62 62 GLU . 18126 1 63 63 GLY . 18126 1 64 64 ASP . 18126 1 65 65 GLU . 18126 1 66 66 LEU . 18126 1 67 67 SER . 18126 1 68 68 GLY . 18126 1 69 69 SER . 18126 1 70 70 GLN . 18126 1 71 71 SER . 18126 1 72 72 ALA . 18126 1 73 73 ASN . 18126 1 74 74 LEU . 18126 1 75 75 LEU . 18126 1 76 76 ALA . 18126 1 77 77 GLU . 18126 1 78 78 ALA . 18126 1 79 79 LYS . 18126 1 80 80 LYS . 18126 1 81 81 LEU . 18126 1 82 82 ASN . 18126 1 83 83 ASP . 18126 1 84 84 ALA . 18126 1 85 85 GLN . 18126 1 86 86 ALA . 18126 1 87 87 PRO . 18126 1 88 88 LYS . 18126 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 18126 1 . GLY 2 2 18126 1 . SER 3 3 18126 1 . SER 4 4 18126 1 . HIS 5 5 18126 1 . HIS 6 6 18126 1 . HIS 7 7 18126 1 . HIS 8 8 18126 1 . HIS 9 9 18126 1 . HIS 10 10 18126 1 . SER 11 11 18126 1 . SER 12 12 18126 1 . GLY 13 13 18126 1 . VAL 14 14 18126 1 . ASP 15 15 18126 1 . ASN 16 16 18126 1 . LYS 17 17 18126 1 . PHE 18 18 18126 1 . ASN 19 19 18126 1 . LYS 20 20 18126 1 . GLU 21 21 18126 1 . GLN 22 22 18126 1 . GLN 23 23 18126 1 . ASN 24 24 18126 1 . ALA 25 25 18126 1 . PHE 26 26 18126 1 . TYR 27 27 18126 1 . GLU 28 28 18126 1 . ILE 29 29 18126 1 . LEU 30 30 18126 1 . HIS 31 31 18126 1 . LEU 32 32 18126 1 . PRO 33 33 18126 1 . ASN 34 34 18126 1 . LEU 35 35 18126 1 . ASN 36 36 18126 1 . GLU 37 37 18126 1 . GLU 38 38 18126 1 . GLN 39 39 18126 1 . ARG 40 40 18126 1 . ASN 41 41 18126 1 . ALA 42 42 18126 1 . PHE 43 43 18126 1 . ILE 44 44 18126 1 . GLN 45 45 18126 1 . SER 46 46 18126 1 . LEU 47 47 18126 1 . LYS 48 48 18126 1 . ASP 49 49 18126 1 . ASP 50 50 18126 1 . SER 51 51 18126 1 . TYR 52 52 18126 1 . ILE 53 53 18126 1 . ASP 54 54 18126 1 . THR 55 55 18126 1 . ASN 56 56 18126 1 . ASN 57 57 18126 1 . ASP 58 58 18126 1 . GLY 59 59 18126 1 . ALA 60 60 18126 1 . TYR 61 61 18126 1 . GLU 62 62 18126 1 . GLY 63 63 18126 1 . ASP 64 64 18126 1 . GLU 65 65 18126 1 . LEU 66 66 18126 1 . SER 67 67 18126 1 . GLY 68 68 18126 1 . SER 69 69 18126 1 . GLN 70 70 18126 1 . SER 71 71 18126 1 . ALA 72 72 18126 1 . ASN 73 73 18126 1 . LEU 74 74 18126 1 . LEU 75 75 18126 1 . ALA 76 76 18126 1 . GLU 77 77 18126 1 . ALA 78 78 18126 1 . LYS 79 79 18126 1 . LYS 80 80 18126 1 . LEU 81 81 18126 1 . ASN 82 82 18126 1 . ASP 83 83 18126 1 . ALA 84 84 18126 1 . GLN 85 85 18126 1 . ALA 86 86 18126 1 . PRO 87 87 18126 1 . LYS 88 88 18126 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 18126 _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 $Z-L2LBT . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18126 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 18126 _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 $Z-L2LBT . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET29 . . . . . . 18126 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18126 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Z-L2LBT '[U-98% 13C; U-98% 15N]' . . 1 $Z-L2LBT . . . 100 800 uM . . . . 18126 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18126 1 3 D2O [U-2H] . . . . . . 10 . . % . . . . 18126 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18126 _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 'ionic strength' 0.1 . M 18126 1 pH 8.0 . pH 18126 1 pressure 1 . atm 18126 1 temperature 273 . K 18126 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18126 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18126 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18126 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18126 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VXRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18126 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 18126 _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 Varian VXRS . 900 . . . 18126 1 2 spectrometer_2 Varian INOVA . 600 . . . 18126 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 18126 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18126 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18126 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18126 1 4 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18126 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18126 _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 C 13 DSS 'methyl protons' . . . . ppm 0.07 internal indirect 0.251449530 . . . . . . . . . 18126 1 H 1 DSS 'methyl protons' . . . . ppm 0.07 internal direct 1.000000000 . . . . . . . . . 18126 1 N 15 DSS 'methyl protons' . . . . ppm 0.07 internal indirect 0.101329118 . . . . . . . . . 18126 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18126 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18126 1 2 '3D HNCO' . . . 18126 1 3 '3D HNCACB' . . . 18126 1 4 '3D HN(COCA)CB' . . . 18126 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 12 12 SER C C 13 175.01 0.1 . 1 . . . . 12 SER C . 18126 1 2 . 1 1 12 12 SER CA C 13 58.43 0.2 . 1 . . . . 12 SER CA . 18126 1 3 . 1 1 12 12 SER CB C 13 64.01 0.2 . 1 . . . . 12 SER CB . 18126 1 4 . 1 1 13 13 GLY H H 1 8.38 0.01 . 1 . . . . 13 GLY HN . 18126 1 5 . 1 1 13 13 GLY C C 13 174.24 0.1 . 1 . . . . 13 GLY C . 18126 1 6 . 1 1 13 13 GLY CA C 13 45.02 0.2 . 1 . . . . 13 GLY CA . 18126 1 7 . 1 1 13 13 GLY N N 15 110.55 0.1 . 1 . . . . 13 GLY N . 18126 1 8 . 1 1 14 14 VAL H H 1 7.90 0.01 . 1 . . . . 14 VAL HN . 18126 1 9 . 1 1 14 14 VAL C C 13 175.77 0.1 . 1 . . . . 14 VAL C . 18126 1 10 . 1 1 14 14 VAL CA C 13 61.92 0.2 . 1 . . . . 14 VAL CA . 18126 1 11 . 1 1 14 14 VAL CB C 13 31.99 0.2 . 1 . . . . 14 VAL CB . 18126 1 12 . 1 1 14 14 VAL N N 15 118.64 0.1 . 1 . . . . 14 VAL N . 18126 1 13 . 1 1 15 15 ASP H H 1 8.25 0.01 . 1 . . . . 15 ASP HN . 18126 1 14 . 1 1 15 15 ASP C C 13 175.99 0.1 . 1 . . . . 15 ASP C . 18126 1 15 . 1 1 15 15 ASP CA C 13 53.90 0.2 . 1 . . . . 15 ASP CA . 18126 1 16 . 1 1 15 15 ASP CB C 13 40.72 0.2 . 1 . . . . 15 ASP CB . 18126 1 17 . 1 1 15 15 ASP N N 15 122.78 0.1 . 1 . . . . 15 ASP N . 18126 1 18 . 1 1 16 16 ASN H H 1 8.18 0.01 . 1 . . . . 16 ASN HN . 18126 1 19 . 1 1 16 16 ASN C C 13 175.13 0.1 . 1 . . . . 16 ASN C . 18126 1 20 . 1 1 16 16 ASN CA C 13 53.33 0.2 . 1 . . . . 16 ASN CA . 18126 1 21 . 1 1 16 16 ASN CB C 13 38.26 0.2 . 1 . . . . 16 ASN CB . 18126 1 22 . 1 1 16 16 ASN N N 15 119.37 0.1 . 1 . . . . 16 ASN N . 18126 1 23 . 1 1 17 17 LYS H H 1 8.23 0.01 . 1 . . . . 17 LYS HN . 18126 1 24 . 1 1 17 17 LYS C C 13 176.52 0.1 . 1 . . . . 17 LYS C . 18126 1 25 . 1 1 17 17 LYS CA C 13 56.20 0.2 . 1 . . . . 17 LYS CA . 18126 1 26 . 1 1 17 17 LYS CB C 13 31.40 0.2 . 1 . . . . 17 LYS CB . 18126 1 27 . 1 1 17 17 LYS N N 15 120.44 0.1 . 1 . . . . 17 LYS N . 18126 1 28 . 1 1 18 18 PHE H H 1 8.00 0.01 . 1 . . . . 18 PHE HN . 18126 1 29 . 1 1 18 18 PHE C C 13 176.59 0.1 . 1 . . . . 18 PHE C . 18126 1 30 . 1 1 18 18 PHE CA C 13 56.10 0.2 . 1 . . . . 18 PHE CA . 18126 1 31 . 1 1 18 18 PHE CB C 13 39.20 0.2 . 1 . . . . 18 PHE CB . 18126 1 32 . 1 1 18 18 PHE N N 15 119.69 0.1 . 1 . . . . 18 PHE N . 18126 1 33 . 1 1 19 19 ASN H H 1 8.59 0.01 . 1 . . . . 19 ASN HN . 18126 1 34 . 1 1 19 19 ASN C C 13 175.66 0.1 . 1 . . . . 19 ASN C . 18126 1 35 . 1 1 19 19 ASN CA C 13 52.27 0.2 . 1 . . . . 19 ASN CA . 18126 1 36 . 1 1 19 19 ASN CB C 13 38.12 0.2 . 1 . . . . 19 ASN CB . 18126 1 37 . 1 1 19 19 ASN N N 15 120.44 0.1 . 1 . . . . 19 ASN N . 18126 1 38 . 1 1 20 20 LYS H H 1 8.39 0.01 . 1 . . . . 20 LYS HN . 18126 1 39 . 1 1 20 20 LYS C C 13 178.17 0.1 . 1 . . . . 20 LYS C . 18126 1 40 . 1 1 20 20 LYS CA C 13 58.96 0.2 . 1 . . . . 20 LYS CA . 18126 1 41 . 1 1 20 20 LYS CB C 13 31.64 0.2 . 1 . . . . 20 LYS CB . 18126 1 42 . 1 1 20 20 LYS N N 15 119.91 0.1 . 1 . . . . 20 LYS N . 18126 1 43 . 1 1 21 21 GLU H H 1 8.28 0.01 . 1 . . . . 21 GLU HN . 18126 1 44 . 1 1 21 21 GLU C C 13 179.42 0.1 . 1 . . . . 21 GLU C . 18126 1 45 . 1 1 21 21 GLU CA C 13 58.90 0.2 . 1 . . . . 21 GLU CA . 18126 1 46 . 1 1 21 21 GLU CB C 13 28.40 0.2 . 1 . . . . 21 GLU CB . 18126 1 47 . 1 1 21 21 GLU N N 15 119.62 0.1 . 1 . . . . 21 GLU N . 18126 1 48 . 1 1 22 22 GLN H H 1 8.36 0.01 . 1 . . . . 22 GLN HN . 18126 1 49 . 1 1 22 22 GLN C C 13 177.26 0.1 . 1 . . . . 22 GLN C . 18126 1 50 . 1 1 22 22 GLN CA C 13 57.91 0.2 . 1 . . . . 22 GLN CA . 18126 1 51 . 1 1 22 22 GLN CB C 13 28.40 0.2 . 1 . . . . 22 GLN CB . 18126 1 52 . 1 1 22 22 GLN N N 15 120.26 0.1 . 1 . . . . 22 GLN N . 18126 1 53 . 1 1 23 23 GLN H H 1 8.46 0.01 . 1 . . . . 23 GLN HN . 18126 1 54 . 1 1 23 23 GLN C C 13 177.95 0.1 . 1 . . . . 23 GLN C . 18126 1 55 . 1 1 23 23 GLN CA C 13 58.12 0.2 . 1 . . . . 23 GLN CA . 18126 1 56 . 1 1 23 23 GLN CB C 13 27.97 0.2 . 1 . . . . 23 GLN CB . 18126 1 57 . 1 1 23 23 GLN N N 15 118.30 0.1 . 1 . . . . 23 GLN N . 18126 1 58 . 1 1 24 24 ASN H H 1 8.23 0.01 . 1 . . . . 24 ASN HN . 18126 1 59 . 1 1 24 24 ASN C C 13 177.06 0.1 . 1 . . . . 24 ASN C . 18126 1 60 . 1 1 24 24 ASN CA C 13 55.58 0.2 . 1 . . . . 24 ASN CA . 18126 1 61 . 1 1 24 24 ASN CB C 13 37.90 0.2 . 1 . . . . 24 ASN CB . 18126 1 62 . 1 1 24 24 ASN N N 15 117.75 0.1 . 1 . . . . 24 ASN N . 18126 1 63 . 1 1 25 25 ALA H H 1 7.97 0.01 . 1 . . . . 25 ALA HN . 18126 1 64 . 1 1 25 25 ALA C C 13 178.36 0.1 . 1 . . . . 25 ALA C . 18126 1 65 . 1 1 25 25 ALA CA C 13 54.90 0.2 . 1 . . . . 25 ALA CA . 18126 1 66 . 1 1 25 25 ALA CB C 13 17.83 0.2 . 1 . . . . 25 ALA CB . 18126 1 67 . 1 1 25 25 ALA N N 15 122.41 0.1 . 1 . . . . 25 ALA N . 18126 1 68 . 1 1 26 26 PHE H H 1 8.28 0.01 . 1 . . . . 26 PHE HN . 18126 1 69 . 1 1 26 26 PHE C C 13 176.44 0.1 . 1 . . . . 26 PHE C . 18126 1 70 . 1 1 26 26 PHE CA C 13 60.16 0.2 . 1 . . . . 26 PHE CA . 18126 1 71 . 1 1 26 26 PHE CB C 13 38.19 0.2 . 1 . . . . 26 PHE CB . 18126 1 72 . 1 1 26 26 PHE N N 15 117.36 0.1 . 1 . . . . 26 PHE N . 18126 1 73 . 1 1 27 27 TYR H H 1 7.95 0.01 . 1 . . . . 27 TYR HN . 18126 1 74 . 1 1 27 27 TYR C C 13 178.63 0.1 . 1 . . . . 27 TYR C . 18126 1 75 . 1 1 27 27 TYR CA C 13 61.57 0.2 . 1 . . . . 27 TYR CA . 18126 1 76 . 1 1 27 27 TYR CB C 13 37.83 0.2 . 1 . . . . 27 TYR CB . 18126 1 77 . 1 1 27 27 TYR N N 15 117.02 0.1 . 1 . . . . 27 TYR N . 18126 1 78 . 1 1 28 28 GLU H H 1 8.24 0.01 . 1 . . . . 28 GLU HN . 18126 1 79 . 1 1 28 28 GLU C C 13 180.17 0.1 . 1 . . . . 28 GLU C . 18126 1 80 . 1 1 28 28 GLU CA C 13 59.67 0.2 . 1 . . . . 28 GLU CA . 18126 1 81 . 1 1 28 28 GLU CB C 13 29.17 0.2 . 1 . . . . 28 GLU CB . 18126 1 82 . 1 1 28 28 GLU N N 15 118.29 0.1 . 1 . . . . 28 GLU N . 18126 1 83 . 1 1 29 29 ILE H H 1 8.27 0.01 . 1 . . . . 29 ILE HN . 18126 1 84 . 1 1 29 29 ILE C C 13 178.14 0.1 . 1 . . . . 29 ILE C . 18126 1 85 . 1 1 29 29 ILE CA C 13 64.13 0.2 . 1 . . . . 29 ILE CA . 18126 1 86 . 1 1 29 29 ILE CB C 13 36.21 0.2 . 1 . . . . 29 ILE CB . 18126 1 87 . 1 1 29 29 ILE N N 15 119.00 0.1 . 1 . . . . 29 ILE N . 18126 1 88 . 1 1 30 30 LEU H H 1 7.98 0.01 . 1 . . . . 30 LEU HN . 18126 1 89 . 1 1 30 30 LEU C C 13 177.11 0.1 . 1 . . . . 30 LEU C . 18126 1 90 . 1 1 30 30 LEU CA C 13 56.85 0.2 . 1 . . . . 30 LEU CA . 18126 1 91 . 1 1 30 30 LEU CB C 13 40.72 0.2 . 1 . . . . 30 LEU CB . 18126 1 92 . 1 1 30 30 LEU N N 15 117.98 0.1 . 1 . . . . 30 LEU N . 18126 1 93 . 1 1 31 31 HIS H H 1 7.18 0.01 . 1 . . . . 31 HIS HN . 18126 1 94 . 1 1 31 31 HIS C C 13 174.90 0.1 . 1 . . . . 31 HIS C . 18126 1 95 . 1 1 31 31 HIS CA C 13 55.93 0.2 . 1 . . . . 31 HIS CA . 18126 1 96 . 1 1 31 31 HIS CB C 13 29.10 0.2 . 1 . . . . 31 HIS CB . 18126 1 97 . 1 1 31 31 HIS N N 15 112.37 0.1 . 1 . . . . 31 HIS N . 18126 1 98 . 1 1 32 32 LEU H H 1 7.17 0.01 . 1 . . . . 32 LEU HN . 18126 1 99 . 1 1 32 32 LEU CA C 13 52.84 0.2 . 1 . . . . 32 LEU CA . 18126 1 100 . 1 1 32 32 LEU CB C 13 39.45 0.2 . 1 . . . . 32 LEU CB . 18126 1 101 . 1 1 32 32 LEU N N 15 123.86 0.1 . 1 . . . . 32 LEU N . 18126 1 102 . 1 1 33 33 PRO C C 13 178.07 0.1 . 1 . . . . 33 PRO C . 18126 1 103 . 1 1 33 33 PRO CA C 13 64.56 0.2 . 1 . . . . 33 PRO CA . 18126 1 104 . 1 1 33 33 PRO CB C 13 32.02 0.2 . 1 . . . . 33 PRO CB . 18126 1 105 . 1 1 34 34 ASN H H 1 8.88 0.01 . 1 . . . . 34 ASN HN . 18126 1 106 . 1 1 34 34 ASN C C 13 176.27 0.1 . 1 . . . . 34 ASN C . 18126 1 107 . 1 1 34 34 ASN CA C 13 52.41 0.2 . 1 . . . . 34 ASN CA . 18126 1 108 . 1 1 34 34 ASN CB C 13 38.26 0.2 . 1 . . . . 34 ASN CB . 18126 1 109 . 1 1 34 34 ASN N N 15 113.55 0.1 . 1 . . . . 34 ASN N . 18126 1 110 . 1 1 35 35 LEU H H 1 6.55 0.01 . 1 . . . . 35 LEU HN . 18126 1 111 . 1 1 35 35 LEU C C 13 176.51 0.1 . 1 . . . . 35 LEU C . 18126 1 112 . 1 1 35 35 LEU CA C 13 54.10 0.2 . 1 . . . . 35 LEU CA . 18126 1 113 . 1 1 35 35 LEU CB C 13 42.06 0.2 . 1 . . . . 35 LEU CB . 18126 1 114 . 1 1 35 35 LEU N N 15 117.55 0.1 . 1 . . . . 35 LEU N . 18126 1 115 . 1 1 36 36 ASN H H 1 8.54 0.01 . 1 . . . . 36 ASN HN . 18126 1 116 . 1 1 36 36 ASN C C 13 175.77 0.1 . 1 . . . . 36 ASN C . 18126 1 117 . 1 1 36 36 ASN CA C 13 51.01 0.2 . 1 . . . . 36 ASN CA . 18126 1 118 . 1 1 36 36 ASN CB C 13 38.33 0.2 . 1 . . . . 36 ASN CB . 18126 1 119 . 1 1 36 36 ASN N N 15 119.01 0.1 . 1 . . . . 36 ASN N . 18126 1 120 . 1 1 37 37 GLU H H 1 8.60 0.01 . 1 . . . . 37 GLU HN . 18126 1 121 . 1 1 37 37 GLU C C 13 178.16 0.1 . 1 . . . . 37 GLU C . 18126 1 122 . 1 1 37 37 GLU CA C 13 59.46 0.2 . 1 . . . . 37 GLU CA . 18126 1 123 . 1 1 37 37 GLU CB C 13 28.89 0.2 . 1 . . . . 37 GLU CB . 18126 1 124 . 1 1 37 37 GLU N N 15 118.29 0.1 . 1 . . . . 37 GLU N . 18126 1 125 . 1 1 38 38 GLU H H 1 8.24 0.01 . 1 . . . . 38 GLU HN . 18126 1 126 . 1 1 38 38 GLU C C 13 180.22 0.1 . 1 . . . . 38 GLU C . 18126 1 127 . 1 1 38 38 GLU CA C 13 59.39 0.2 . 1 . . . . 38 GLU CA . 18126 1 128 . 1 1 38 38 GLU CB C 13 28.26 0.2 . 1 . . . . 38 GLU CB . 18126 1 129 . 1 1 38 38 GLU N N 15 119.54 0.1 . 1 . . . . 38 GLU N . 18126 1 130 . 1 1 39 39 GLN H H 1 8.51 0.01 . 1 . . . . 39 GLN HN . 18126 1 131 . 1 1 39 39 GLN C C 13 178.62 0.1 . 1 . . . . 39 GLN C . 18126 1 132 . 1 1 39 39 GLN CA C 13 57.55 0.2 . 1 . . . . 39 GLN CA . 18126 1 133 . 1 1 39 39 GLN CB C 13 28.20 0.2 . 1 . . . . 39 GLN CB . 18126 1 134 . 1 1 39 39 GLN N N 15 119.72 0.1 . 1 . . . . 39 GLN N . 18126 1 135 . 1 1 40 40 ARG H H 1 8.57 0.01 . 1 . . . . 40 ARG HN . 18126 1 136 . 1 1 40 40 ARG C C 13 177.96 0.1 . 1 . . . . 40 ARG C . 18126 1 137 . 1 1 40 40 ARG CA C 13 60.24 0.2 . 1 . . . . 40 ARG CA . 18126 1 138 . 1 1 40 40 ARG CB C 13 29.52 0.2 . 1 . . . . 40 ARG CB . 18126 1 139 . 1 1 40 40 ARG N N 15 118.59 0.1 . 1 . . . . 40 ARG N . 18126 1 140 . 1 1 41 41 ASN H H 1 8.42 0.01 . 1 . . . . 41 ASN HN . 18126 1 141 . 1 1 41 41 ASN C C 13 177.70 0.1 . 1 . . . . 41 ASN C . 18126 1 142 . 1 1 41 41 ASN CA C 13 55.65 0.2 . 1 . . . . 41 ASN CA . 18126 1 143 . 1 1 41 41 ASN CB C 13 37.55 0.2 . 1 . . . . 41 ASN CB . 18126 1 144 . 1 1 41 41 ASN N N 15 115.05 0.1 . 1 . . . . 41 ASN N . 18126 1 145 . 1 1 42 42 ALA H H 1 7.91 0.01 . 1 . . . . 42 ALA HN . 18126 1 146 . 1 1 42 42 ALA C C 13 181.01 0.1 . 1 . . . . 42 ALA C . 18126 1 147 . 1 1 42 42 ALA CA C 13 54.81 0.2 . 1 . . . . 42 ALA CA . 18126 1 148 . 1 1 42 42 ALA CB C 13 17.37 0.2 . 1 . . . . 42 ALA CB . 18126 1 149 . 1 1 42 42 ALA N N 15 123.13 0.1 . 1 . . . . 42 ALA N . 18126 1 150 . 1 1 43 43 PHE H H 1 8.01 0.01 . 1 . . . . 43 PHE HN . 18126 1 151 . 1 1 43 43 PHE C C 13 172.61 0.1 . 1 . . . . 43 PHE C . 18126 1 152 . 1 1 43 43 PHE CA C 13 61.85 0.2 . 1 . . . . 43 PHE CA . 18126 1 153 . 1 1 43 43 PHE CB C 13 39.03 0.2 . 1 . . . . 43 PHE CB . 18126 1 154 . 1 1 43 43 PHE N N 15 116.85 0.1 . 1 . . . . 43 PHE N . 18126 1 155 . 1 1 44 44 ILE H H 1 8.33 0.01 . 1 . . . . 44 ILE HN . 18126 1 156 . 1 1 44 44 ILE C C 13 178.08 0.1 . 1 . . . . 44 ILE C . 18126 1 157 . 1 1 44 44 ILE CA C 13 64.53 0.2 . 1 . . . . 44 ILE CA . 18126 1 158 . 1 1 44 44 ILE CB C 13 39.07 0.2 . 1 . . . . 44 ILE CB . 18126 1 159 . 1 1 44 44 ILE N N 15 118.89 0.1 . 1 . . . . 44 ILE N . 18126 1 160 . 1 1 45 45 GLN H H 1 8.32 0.01 . 1 . . . . 45 GLN HN . 18126 1 161 . 1 1 45 45 GLN C C 13 178.40 0.1 . 1 . . . . 45 GLN C . 18126 1 162 . 1 1 45 45 GLN CA C 13 58.25 0.2 . 1 . . . . 45 GLN CA . 18126 1 163 . 1 1 45 45 GLN CB C 13 27.39 0.2 . 1 . . . . 45 GLN CB . 18126 1 164 . 1 1 45 45 GLN N N 15 118.92 0.1 . 1 . . . . 45 GLN N . 18126 1 165 . 1 1 46 46 SER H H 1 7.98 0.01 . 1 . . . . 46 SER HN . 18126 1 166 . 1 1 46 46 SER C C 13 176.42 0.1 . 1 . . . . 46 SER C . 18126 1 167 . 1 1 46 46 SER CA C 13 61.71 0.2 . 1 . . . . 46 SER CA . 18126 1 168 . 1 1 46 46 SER CB C 13 63.26 0.2 . 1 . . . . 46 SER CB . 18126 1 169 . 1 1 46 46 SER N N 15 114.86 0.1 . 1 . . . . 46 SER N . 18126 1 170 . 1 1 47 47 LEU H H 1 8.05 0.01 . 1 . . . . 47 LEU HN . 18126 1 171 . 1 1 47 47 LEU C C 13 179.05 0.1 . 1 . . . . 47 LEU C . 18126 1 172 . 1 1 47 47 LEU CA C 13 57.00 0.2 . 1 . . . . 47 LEU CA . 18126 1 173 . 1 1 47 47 LEU CB C 13 41.57 0.2 . 1 . . . . 47 LEU CB . 18126 1 174 . 1 1 47 47 LEU N N 15 122.25 0.1 . 1 . . . . 47 LEU N . 18126 1 175 . 1 1 48 48 LYS H H 1 7.98 0.01 . 1 . . . . 48 LYS HN . 18126 1 176 . 1 1 48 48 LYS C C 13 177.82 0.1 . 1 . . . . 48 LYS C . 18126 1 177 . 1 1 48 48 LYS CA C 13 58.50 0.2 . 1 . . . . 48 LYS CA . 18126 1 178 . 1 1 48 48 LYS CB C 13 32.02 0.2 . 1 . . . . 48 LYS CB . 18126 1 179 . 1 1 48 48 LYS N N 15 118.11 0.1 . 1 . . . . 48 LYS N . 18126 1 180 . 1 1 49 49 ASP H H 1 7.95 0.01 . 1 . . . . 49 ASP HN . 18126 1 181 . 1 1 49 49 ASP C C 13 176.29 0.1 . 1 . . . . 49 ASP C . 18126 1 182 . 1 1 49 49 ASP CA C 13 54.88 0.2 . 1 . . . . 49 ASP CA . 18126 1 183 . 1 1 49 49 ASP CB C 13 40.80 0.2 . 1 . . . . 49 ASP CB . 18126 1 184 . 1 1 49 49 ASP N N 15 118.39 0.1 . 1 . . . . 49 ASP N . 18126 1 185 . 1 1 50 50 ASP H H 1 7.87 0.01 . 1 . . . . 50 ASP HN . 18126 1 186 . 1 1 50 50 ASP C C 13 175.63 0.1 . 1 . . . . 50 ASP C . 18126 1 187 . 1 1 50 50 ASP CA C 13 54.11 0.2 . 1 . . . . 50 ASP CA . 18126 1 188 . 1 1 50 50 ASP CB C 13 40.80 0.2 . 1 . . . . 50 ASP CB . 18126 1 189 . 1 1 50 50 ASP N N 15 120.45 0.1 . 1 . . . . 50 ASP N . 18126 1 190 . 1 1 51 51 SER H H 1 7.94 0.01 . 1 . . . . 51 SER HN . 18126 1 191 . 1 1 51 51 SER C C 13 173.70 0.1 . 1 . . . . 51 SER C . 18126 1 192 . 1 1 51 51 SER CA C 13 58.47 0.2 . 1 . . . . 51 SER CA . 18126 1 193 . 1 1 51 51 SER CB C 13 64.17 0.2 . 1 . . . . 51 SER CB . 18126 1 194 . 1 1 51 51 SER N N 15 115.35 0.1 . 1 . . . . 51 SER N . 18126 1 195 . 1 1 52 52 TYR H H 1 7.79 0.01 . 1 . . . . 52 TYR HN . 18126 1 196 . 1 1 52 52 TYR C C 13 174.75 0.1 . 1 . . . . 52 TYR C . 18126 1 197 . 1 1 52 52 TYR CA C 13 56.22 0.2 . 1 . . . . 52 TYR CA . 18126 1 198 . 1 1 52 52 TYR CB C 13 38.47 0.2 . 1 . . . . 52 TYR CB . 18126 1 199 . 1 1 52 52 TYR N N 15 120.60 0.1 . 1 . . . . 52 TYR N . 18126 1 200 . 1 1 53 53 ILE H H 1 8.71 0.01 . 1 . . . . 53 ILE HN . 18126 1 201 . 1 1 53 53 ILE C C 13 176.30 0.1 . 1 . . . . 53 ILE C . 18126 1 202 . 1 1 53 53 ILE CA C 13 59.74 0.2 . 1 . . . . 53 ILE CA . 18126 1 203 . 1 1 53 53 ILE CB C 13 39.07 0.2 . 1 . . . . 53 ILE CB . 18126 1 204 . 1 1 53 53 ILE N N 15 120.82 0.1 . 1 . . . . 53 ILE N . 18126 1 205 . 1 1 54 54 ASP H H 1 9.00 0.01 . 1 . . . . 54 ASP HN . 18126 1 206 . 1 1 54 54 ASP C C 13 177.34 0.1 . 1 . . . . 54 ASP C . 18126 1 207 . 1 1 54 54 ASP CA C 13 51.50 0.2 . 1 . . . . 54 ASP CA . 18126 1 208 . 1 1 54 54 ASP CB C 13 38.61 0.2 . 1 . . . . 54 ASP CB . 18126 1 209 . 1 1 54 54 ASP N N 15 124.96 0.1 . 1 . . . . 54 ASP N . 18126 1 210 . 1 1 55 55 THR H H 1 8.04 0.01 . 1 . . . . 55 THR HN . 18126 1 211 . 1 1 55 55 THR C C 13 175.62 0.1 . 1 . . . . 55 THR C . 18126 1 212 . 1 1 55 55 THR CA C 13 64.41 0.2 . 1 . . . . 55 THR CA . 18126 1 213 . 1 1 55 55 THR CB C 13 68.61 0.2 . 1 . . . . 55 THR CB . 18126 1 214 . 1 1 55 55 THR N N 15 119.55 0.1 . 1 . . . . 55 THR N . 18126 1 215 . 1 1 56 56 ASN H H 1 8.36 0.01 . 1 . . . . 56 ASN HN . 18126 1 216 . 1 1 56 56 ASN C C 13 175.11 0.1 . 1 . . . . 56 ASN C . 18126 1 217 . 1 1 56 56 ASN CA C 13 51.07 0.2 . 1 . . . . 56 ASN CA . 18126 1 218 . 1 1 56 56 ASN CB C 13 36.57 0.2 . 1 . . . . 56 ASN CB . 18126 1 219 . 1 1 56 56 ASN N N 15 115.63 0.1 . 1 . . . . 56 ASN N . 18126 1 220 . 1 1 57 57 ASN H H 1 8.01 0.01 . 1 . . . . 57 ASN HN . 18126 1 221 . 1 1 57 57 ASN C C 13 174.10 0.1 . 1 . . . . 57 ASN C . 18126 1 222 . 1 1 57 57 ASN CA C 13 54.53 0.2 . 1 . . . . 57 ASN CA . 18126 1 223 . 1 1 57 57 ASN CB C 13 37.27 0.2 . 1 . . . . 57 ASN CB . 18126 1 224 . 1 1 57 57 ASN N N 15 115.14 0.1 . 1 . . . . 57 ASN N . 18126 1 225 . 1 1 58 58 ASP H H 1 8.07 0.01 . 1 . . . . 58 ASP HN . 18126 1 226 . 1 1 58 58 ASP C C 13 177.39 0.1 . 1 . . . . 58 ASP C . 18126 1 227 . 1 1 58 58 ASP CA C 13 52.35 0.2 . 1 . . . . 58 ASP CA . 18126 1 228 . 1 1 58 58 ASP CB C 13 40.16 0.2 . 1 . . . . 58 ASP CB . 18126 1 229 . 1 1 58 58 ASP N N 15 115.21 0.1 . 1 . . . . 58 ASP N . 18126 1 230 . 1 1 59 59 GLY H H 1 9.53 0.01 . 1 . . . . 59 GLY HN . 18126 1 231 . 1 1 59 59 GLY C C 13 172.30 0.1 . 1 . . . . 59 GLY C . 18126 1 232 . 1 1 59 59 GLY CA C 13 45.16 0.2 . 1 . . . . 59 GLY CA . 18126 1 233 . 1 1 59 59 GLY N N 15 111.80 0.1 . 1 . . . . 59 GLY N . 18126 1 234 . 1 1 60 60 ALA H H 1 7.76 0.01 . 1 . . . . 60 ALA HN . 18126 1 235 . 1 1 60 60 ALA C C 13 177.34 0.1 . 1 . . . . 60 ALA C . 18126 1 236 . 1 1 60 60 ALA CA C 13 49.53 0.2 . 1 . . . . 60 ALA CA . 18126 1 237 . 1 1 60 60 ALA CB C 13 21.82 0.2 . 1 . . . . 60 ALA CB . 18126 1 238 . 1 1 60 60 ALA N N 15 121.35 0.1 . 1 . . . . 60 ALA N . 18126 1 239 . 1 1 61 61 TYR H H 1 9.24 0.01 . 1 . . . . 61 TYR HN . 18126 1 240 . 1 1 61 61 TYR C C 13 174.71 0.1 . 1 . . . . 61 TYR C . 18126 1 241 . 1 1 61 61 TYR CA C 13 55.30 0.2 . 1 . . . . 61 TYR CA . 18126 1 242 . 1 1 61 61 TYR CB C 13 38.12 0.2 . 1 . . . . 61 TYR CB . 18126 1 243 . 1 1 61 61 TYR N N 15 128.57 0.1 . 1 . . . . 61 TYR N . 18126 1 244 . 1 1 62 62 GLU H H 1 8.54 0.01 . 1 . . . . 62 GLU HN . 18126 1 245 . 1 1 62 62 GLU C C 13 174.62 0.1 . 1 . . . . 62 GLU C . 18126 1 246 . 1 1 62 62 GLU CA C 13 54.81 0.2 . 1 . . . . 62 GLU CA . 18126 1 247 . 1 1 62 62 GLU CB C 13 28.82 0.2 . 1 . . . . 62 GLU CB . 18126 1 248 . 1 1 62 62 GLU N N 15 122.24 0.1 . 1 . . . . 62 GLU N . 18126 1 249 . 1 1 63 63 GLY H H 1 8.86 0.01 . 1 . . . . 63 GLY HN . 18126 1 250 . 1 1 63 63 GLY CA C 13 46.50 0.2 . 1 . . . . 63 GLY CA . 18126 1 251 . 1 1 63 63 GLY N N 15 108.88 0.1 . 1 . . . . 63 GLY N . 18126 1 252 . 1 1 64 64 ASP C C 13 177.97 0.1 . 1 . . . . 64 ASP C . 18126 1 253 . 1 1 64 64 ASP CA C 13 55.74 0.2 . 1 . . . . 64 ASP CA . 18126 1 254 . 1 1 64 64 ASP CB C 13 39.72 0.2 . 1 . . . . 64 ASP CB . 18126 1 255 . 1 1 65 65 GLU H H 1 8.29 0.01 . 1 . . . . 65 GLU HN . 18126 1 256 . 1 1 65 65 GLU C C 13 178.33 0.1 . 1 . . . . 65 GLU C . 18126 1 257 . 1 1 65 65 GLU CA C 13 56.85 0.2 . 1 . . . . 65 GLU CA . 18126 1 258 . 1 1 65 65 GLU CB C 13 27.62 0.2 . 1 . . . . 65 GLU CB . 18126 1 259 . 1 1 65 65 GLU N N 15 118.11 0.1 . 1 . . . . 65 GLU N . 18126 1 260 . 1 1 66 66 LEU H H 1 7.30 0.01 . 1 . . . . 66 LEU HN . 18126 1 261 . 1 1 66 66 LEU C C 13 177.22 0.1 . 1 . . . . 66 LEU C . 18126 1 262 . 1 1 66 66 LEU CA C 13 54.17 0.2 . 1 . . . . 66 LEU CA . 18126 1 263 . 1 1 66 66 LEU CB C 13 40.44 0.2 . 1 . . . . 66 LEU CB . 18126 1 264 . 1 1 66 66 LEU N N 15 115.04 0.1 . 1 . . . . 66 LEU N . 18126 1 265 . 1 1 67 67 SER H H 1 7.49 0.01 . 1 . . . . 67 SER HN . 18126 1 266 . 1 1 67 67 SER C C 13 175.09 0.1 . 1 . . . . 67 SER C . 18126 1 267 . 1 1 67 67 SER CA C 13 58.47 0.2 . 1 . . . . 67 SER CA . 18126 1 268 . 1 1 67 67 SER CB C 13 63.82 0.2 . 1 . . . . 67 SER CB . 18126 1 269 . 1 1 67 67 SER N N 15 114.42 0.1 . 1 . . . . 67 SER N . 18126 1 270 . 1 1 68 68 GLY H H 1 8.28 0.01 . 1 . . . . 68 GLY HN . 18126 1 271 . 1 1 68 68 GLY C C 13 174.48 0.1 . 1 . . . . 68 GLY C . 18126 1 272 . 1 1 68 68 GLY CA C 13 45.23 0.2 . 1 . . . . 68 GLY CA . 18126 1 273 . 1 1 68 68 GLY N N 15 110.19 0.1 . 1 . . . . 68 GLY N . 18126 1 274 . 1 1 69 69 SER H H 1 8.25 0.01 . 1 . . . . 69 SER HN . 18126 1 275 . 1 1 69 69 SER C C 13 175.87 0.1 . 1 . . . . 69 SER C . 18126 1 276 . 1 1 69 69 SER CA C 13 58.40 0.2 . 1 . . . . 69 SER CA . 18126 1 277 . 1 1 69 69 SER CB C 13 63.82 0.2 . 1 . . . . 69 SER CB . 18126 1 278 . 1 1 69 69 SER N N 15 115.77 0.1 . 1 . . . . 69 SER N . 18126 1 279 . 1 1 70 70 GLN H H 1 9.42 0.01 . 1 . . . . 70 GLN HN . 18126 1 280 . 1 1 70 70 GLN C C 13 177.72 0.1 . 1 . . . . 70 GLN C . 18126 1 281 . 1 1 70 70 GLN CA C 13 56.64 0.2 . 1 . . . . 70 GLN CA . 18126 1 282 . 1 1 70 70 GLN CB C 13 28.05 0.2 . 1 . . . . 70 GLN CB . 18126 1 283 . 1 1 70 70 GLN N N 15 123.68 0.1 . 1 . . . . 70 GLN N . 18126 1 284 . 1 1 71 71 SER H H 1 8.27 0.01 . 1 . . . . 71 SER HN . 18126 1 285 . 1 1 71 71 SER C C 13 175.17 0.1 . 1 . . . . 71 SER C . 18126 1 286 . 1 1 71 71 SER CA C 13 62.18 0.2 . 1 . . . . 71 SER CA . 18126 1 287 . 1 1 71 71 SER CB C 13 70.44 0.2 . 1 . . . . 71 SER CB . 18126 1 288 . 1 1 71 71 SER N N 15 116.31 0.1 . 1 . . . . 71 SER N . 18126 1 289 . 1 1 72 72 ALA H H 1 8.15 0.01 . 1 . . . . 72 ALA HN . 18126 1 290 . 1 1 72 72 ALA C C 13 180.88 0.1 . 1 . . . . 72 ALA C . 18126 1 291 . 1 1 72 72 ALA CA C 13 54.81 0.2 . 1 . . . . 72 ALA CA . 18126 1 292 . 1 1 72 72 ALA CB C 13 17.56 0.2 . 1 . . . . 72 ALA CB . 18126 1 293 . 1 1 72 72 ALA N N 15 122.95 0.1 . 1 . . . . 72 ALA N . 18126 1 294 . 1 1 73 73 ASN H H 1 8.12 0.01 . 1 . . . . 73 ASN HN . 18126 1 295 . 1 1 73 73 ASN C C 13 177.67 0.1 . 1 . . . . 73 ASN C . 18126 1 296 . 1 1 73 73 ASN CA C 13 55.51 0.2 . 1 . . . . 73 ASN CA . 18126 1 297 . 1 1 73 73 ASN CB C 13 37.41 0.2 . 1 . . . . 73 ASN CB . 18126 1 298 . 1 1 73 73 ASN N N 15 118.33 0.1 . 1 . . . . 73 ASN N . 18126 1 299 . 1 1 74 74 LEU H H 1 8.25 0.01 . 1 . . . . 74 LEU HN . 18126 1 300 . 1 1 74 74 LEU C C 13 178.64 0.1 . 1 . . . . 74 LEU C . 18126 1 301 . 1 1 74 74 LEU CA C 13 57.70 0.2 . 1 . . . . 74 LEU CA . 18126 1 302 . 1 1 74 74 LEU CB C 13 41.36 0.2 . 1 . . . . 74 LEU CB . 18126 1 303 . 1 1 74 74 LEU N N 15 122.43 0.1 . 1 . . . . 74 LEU N . 18126 1 304 . 1 1 75 75 LEU H H 1 8.20 0.01 . 1 . . . . 75 LEU HN . 18126 1 305 . 1 1 75 75 LEU C C 13 178.31 0.1 . 1 . . . . 75 LEU C . 18126 1 306 . 1 1 75 75 LEU CA C 13 57.41 0.2 . 1 . . . . 75 LEU CA . 18126 1 307 . 1 1 75 75 LEU CB C 13 40.58 0.2 . 1 . . . . 75 LEU CB . 18126 1 308 . 1 1 75 75 LEU N N 15 118.49 0.1 . 1 . . . . 75 LEU N . 18126 1 309 . 1 1 76 76 ALA H H 1 7.82 0.01 . 1 . . . . 76 ALA HN . 18126 1 310 . 1 1 76 76 ALA C C 13 181.20 0.1 . 1 . . . . 76 ALA C . 18126 1 311 . 1 1 76 76 ALA CA C 13 54.81 0.2 . 1 . . . . 76 ALA CA . 18126 1 312 . 1 1 76 76 ALA CB C 13 17.37 0.2 . 1 . . . . 76 ALA CB . 18126 1 313 . 1 1 76 76 ALA N N 15 119.92 0.1 . 1 . . . . 76 ALA N . 18126 1 314 . 1 1 77 77 GLU H H 1 8.03 0.01 . 1 . . . . 77 GLU HN . 18126 1 315 . 1 1 77 77 GLU C C 13 179.09 0.1 . 1 . . . . 77 GLU C . 18126 1 316 . 1 1 77 77 GLU CA C 13 58.60 0.2 . 1 . . . . 77 GLU CA . 18126 1 317 . 1 1 77 77 GLU CB C 13 28.78 0.2 . 1 . . . . 77 GLU CB . 18126 1 318 . 1 1 77 77 GLU N N 15 119.57 0.1 . 1 . . . . 77 GLU N . 18126 1 319 . 1 1 78 78 ALA H H 1 8.23 0.01 . 1 . . . . 78 ALA HN . 18126 1 320 . 1 1 78 78 ALA C C 13 179.47 0.1 . 1 . . . . 78 ALA C . 18126 1 321 . 1 1 78 78 ALA CA C 13 54.88 0.2 . 1 . . . . 78 ALA CA . 18126 1 322 . 1 1 78 78 ALA CB C 13 16.72 0.2 . 1 . . . . 78 ALA CB . 18126 1 323 . 1 1 78 78 ALA N N 15 123.69 0.1 . 1 . . . . 78 ALA N . 18126 1 324 . 1 1 79 79 LYS H H 1 8.37 0.01 . 1 . . . . 79 LYS HN . 18126 1 325 . 1 1 79 79 LYS C C 13 178.68 0.1 . 1 . . . . 79 LYS C . 18126 1 326 . 1 1 79 79 LYS CA C 13 59.67 0.2 . 1 . . . . 79 LYS CA . 18126 1 327 . 1 1 79 79 LYS CB C 13 31.35 0.2 . 1 . . . . 79 LYS CB . 18126 1 328 . 1 1 79 79 LYS N N 15 117.94 0.1 . 1 . . . . 79 LYS N . 18126 1 329 . 1 1 80 80 LYS H H 1 7.80 0.01 . 1 . . . . 80 LYS HN . 18126 1 330 . 1 1 80 80 LYS C C 13 179.82 0.1 . 1 . . . . 80 LYS C . 18126 1 331 . 1 1 80 80 LYS CA C 13 59.17 0.2 . 1 . . . . 80 LYS CA . 18126 1 332 . 1 1 80 80 LYS CB C 13 31.78 0.2 . 1 . . . . 80 LYS CB . 18126 1 333 . 1 1 80 80 LYS N N 15 120.21 0.1 . 1 . . . . 80 LYS N . 18126 1 334 . 1 1 81 81 LEU H H 1 7.89 0.01 . 1 . . . . 81 LEU HN . 18126 1 335 . 1 1 81 81 LEU C C 13 178.09 0.1 . 1 . . . . 81 LEU C . 18126 1 336 . 1 1 81 81 LEU CA C 13 57.13 0.2 . 1 . . . . 81 LEU CA . 18126 1 337 . 1 1 81 81 LEU CB C 13 41.08 0.2 . 1 . . . . 81 LEU CB . 18126 1 338 . 1 1 81 81 LEU N N 15 122.05 0.1 . 1 . . . . 81 LEU N . 18126 1 339 . 1 1 82 82 ASN H H 1 8.46 0.01 . 1 . . . . 82 ASN HN . 18126 1 340 . 1 1 82 82 ASN C C 13 177.63 0.1 . 1 . . . . 82 ASN C . 18126 1 341 . 1 1 82 82 ASN CA C 13 57.48 0.2 . 1 . . . . 82 ASN CA . 18126 1 342 . 1 1 82 82 ASN CB C 13 41.08 0.2 . 1 . . . . 82 ASN CB . 18126 1 343 . 1 1 82 82 ASN N N 15 116.66 0.1 . 1 . . . . 82 ASN N . 18126 1 344 . 1 1 83 83 ASP H H 1 8.30 0.01 . 1 . . . . 83 ASP HN . 18126 1 345 . 1 1 83 83 ASP C C 13 178.92 0.1 . 1 . . . . 83 ASP C . 18126 1 346 . 1 1 83 83 ASP CA C 13 56.57 0.2 . 1 . . . . 83 ASP CA . 18126 1 347 . 1 1 83 83 ASP CB C 13 39.59 0.2 . 1 . . . . 83 ASP CB . 18126 1 348 . 1 1 83 83 ASP N N 15 118.83 0.1 . 1 . . . . 83 ASP N . 18126 1 349 . 1 1 84 84 ALA H H 1 8.04 0.01 . 1 . . . . 84 ALA HN . 18126 1 350 . 1 1 84 84 ALA C C 13 179.34 0.1 . 1 . . . . 84 ALA C . 18126 1 351 . 1 1 84 84 ALA CA C 13 53.90 0.2 . 1 . . . . 84 ALA CA . 18126 1 352 . 1 1 84 84 ALA CB C 13 18.02 0.2 . 1 . . . . 84 ALA CB . 18126 1 353 . 1 1 84 84 ALA N N 15 122.79 0.1 . 1 . . . . 84 ALA N . 18126 1 354 . 1 1 85 85 GLN H H 1 7.52 0.01 . 1 . . . . 85 GLN HN . 18126 1 355 . 1 1 85 85 GLN C C 13 174.21 0.1 . 1 . . . . 85 GLN C . 18126 1 356 . 1 1 85 85 GLN CA C 13 54.67 0.2 . 1 . . . . 85 GLN CA . 18126 1 357 . 1 1 85 85 GLN CB C 13 27.48 0.2 . 1 . . . . 85 GLN CB . 18126 1 358 . 1 1 85 85 GLN N N 15 114.88 0.1 . 1 . . . . 85 GLN N . 18126 1 359 . 1 1 86 86 ALA H H 1 7.12 0.01 . 1 . . . . 86 ALA HN . 18126 1 360 . 1 1 86 86 ALA CA C 13 50.65 0.2 . 1 . . . . 86 ALA CA . 18126 1 361 . 1 1 86 86 ALA CB C 13 17.35 0.2 . 1 . . . . 86 ALA CB . 18126 1 362 . 1 1 86 86 ALA N N 15 124.27 0.1 . 1 . . . . 86 ALA N . 18126 1 363 . 1 1 87 87 PRO C C 13 176.20 0.1 . 1 . . . . 87 PRO C . 18126 1 364 . 1 1 87 87 PRO CA C 13 62.90 0.2 . 1 . . . . 87 PRO CA . 18126 1 365 . 1 1 87 87 PRO CB C 13 31.30 0.2 . 1 . . . . 87 PRO CB . 18126 1 366 . 1 1 88 88 LYS H H 1 8.06 0.01 . 1 . . . . 88 LYS HN . 18126 1 367 . 1 1 88 88 LYS CA C 13 57.10 0.2 . 1 . . . . 88 LYS CA . 18126 1 368 . 1 1 88 88 LYS CB C 13 33.10 0.2 . 1 . . . . 88 LYS CB . 18126 1 369 . 1 1 88 88 LYS N N 15 127.28 0.1 . 1 . . . . 88 LYS N . 18126 1 stop_ save_