data_19915 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19915 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for cold shock protein, TaCsp ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-04-17 _Entry.Accession_date 2014-04-17 _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 Ki-woong Jeong . . . 19915 2 Yangmee Kim . . . 19915 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19915 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cold shock protein' . 19915 'nuclear magnetic resonance' . 19915 'protein binding' . 19915 'protien stability' . 19915 'thermus aquaticus' . 19915 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19915 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 380 19915 '13C chemical shifts' 155 19915 '15N chemical shifts' 66 19915 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 . . 2014-09-29 2014-04-17 update BMRB 'update entry citation' 19915 1 . . 2014-08-25 2014-04-17 original author 'original release' 19915 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19916 'cold shock protein, TaCsp with dT7' 19915 PDB 2MO0 'BMRB Entry Tracking System' 19915 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19915 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.bbrc.2014.07.127 _Citation.PubMed_ID 25101648 _Citation.Full_citation . _Citation.Title 'Structure and flexibility of the thermophilic cold-shock protein of Thermus aquaticus.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full 'Biochemical and biophysical research communications' _Citation.Journal_volume 451 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1090-2104 _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 402 _Citation.Page_last 407 _Citation.Year 2014 _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 Bonghwan Jin B. . . 19915 1 2 Ki-Woong Jeong K. W. . 19915 1 3 Yangmee Kim Y. . . 19915 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19915 _Assembly.ID 1 _Assembly.Name 'cold shock protein, TaCsp' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 entity 1 $protein A . yes native no no . . . 19915 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_protein _Entity.Sf_category entity _Entity.Sf_framecode protein _Entity.Entry_ID 19915 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKKGTVKWFNAEKGYGFIQQ EEGPDVFVHFTAIEADGFRT LNEGEHVEFEVEPGRGGKGP QAKKVRRI ; _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 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7692.736 _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 BMRB 19916 . entity . . . . . 100.00 68 100.00 100.00 5.25e-40 . . . . 19915 1 2 no PDB 2MO0 . "Backbone 1h, 13c, And 15n Chemical Shift Assignments For Cold Shock Protein, Tacsp" . . . . . 100.00 68 100.00 100.00 5.25e-40 . . . . 19915 1 3 no PDB 2MO1 . "Backbone 1h, 13c, And 15n Chemical Shift Assignments For Cold Shock Protein, Tacsp With Dt7" . . . . . 100.00 68 100.00 100.00 5.25e-40 . . . . 19915 1 4 no GB ALJ89896 . "cold shock protein CspA [Thermus aquaticus Y51MC23]" . . . . . 100.00 68 100.00 100.00 5.25e-40 . . . . 19915 1 5 no GB EED09135 . "cold-shock DNA-binding domain protein [Thermus aquaticus Y51MC23]" . . . . . 100.00 68 100.00 100.00 5.25e-40 . . . . 19915 1 6 no GB KOX89549 . "Cold shock protein CspC [Thermus aquaticus]" . . . . . 100.00 73 98.53 98.53 3.76e-39 . . . . 19915 1 7 no REF WP_003049060 . "cold-shock protein [Thermus aquaticus]" . . . . . 100.00 68 100.00 100.00 5.25e-40 . . . . 19915 1 8 no REF WP_018110812 . "cold-shock protein [Thermus igniterrae]" . . . . . 100.00 68 97.06 98.53 1.65e-38 . . . . 19915 1 9 no REF WP_022797725 . "cold-shock protein [Thermus islandicus]" . . . . . 100.00 68 97.06 98.53 3.98e-38 . . . . 19915 1 10 no REF WP_053768577 . "cold-shock protein [Thermus aquaticus]" . . . . . 100.00 68 98.53 98.53 4.98e-39 . . . . 19915 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 . 19915 1 2 2 LYS . 19915 1 3 3 LYS . 19915 1 4 4 GLY . 19915 1 5 5 THR . 19915 1 6 6 VAL . 19915 1 7 7 LYS . 19915 1 8 8 TRP . 19915 1 9 9 PHE . 19915 1 10 10 ASN . 19915 1 11 11 ALA . 19915 1 12 12 GLU . 19915 1 13 13 LYS . 19915 1 14 14 GLY . 19915 1 15 15 TYR . 19915 1 16 16 GLY . 19915 1 17 17 PHE . 19915 1 18 18 ILE . 19915 1 19 19 GLN . 19915 1 20 20 GLN . 19915 1 21 21 GLU . 19915 1 22 22 GLU . 19915 1 23 23 GLY . 19915 1 24 24 PRO . 19915 1 25 25 ASP . 19915 1 26 26 VAL . 19915 1 27 27 PHE . 19915 1 28 28 VAL . 19915 1 29 29 HIS . 19915 1 30 30 PHE . 19915 1 31 31 THR . 19915 1 32 32 ALA . 19915 1 33 33 ILE . 19915 1 34 34 GLU . 19915 1 35 35 ALA . 19915 1 36 36 ASP . 19915 1 37 37 GLY . 19915 1 38 38 PHE . 19915 1 39 39 ARG . 19915 1 40 40 THR . 19915 1 41 41 LEU . 19915 1 42 42 ASN . 19915 1 43 43 GLU . 19915 1 44 44 GLY . 19915 1 45 45 GLU . 19915 1 46 46 HIS . 19915 1 47 47 VAL . 19915 1 48 48 GLU . 19915 1 49 49 PHE . 19915 1 50 50 GLU . 19915 1 51 51 VAL . 19915 1 52 52 GLU . 19915 1 53 53 PRO . 19915 1 54 54 GLY . 19915 1 55 55 ARG . 19915 1 56 56 GLY . 19915 1 57 57 GLY . 19915 1 58 58 LYS . 19915 1 59 59 GLY . 19915 1 60 60 PRO . 19915 1 61 61 GLN . 19915 1 62 62 ALA . 19915 1 63 63 LYS . 19915 1 64 64 LYS . 19915 1 65 65 VAL . 19915 1 66 66 ARG . 19915 1 67 67 ARG . 19915 1 68 68 ILE . 19915 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 19915 1 . LYS 2 2 19915 1 . LYS 3 3 19915 1 . GLY 4 4 19915 1 . THR 5 5 19915 1 . VAL 6 6 19915 1 . LYS 7 7 19915 1 . TRP 8 8 19915 1 . PHE 9 9 19915 1 . ASN 10 10 19915 1 . ALA 11 11 19915 1 . GLU 12 12 19915 1 . LYS 13 13 19915 1 . GLY 14 14 19915 1 . TYR 15 15 19915 1 . GLY 16 16 19915 1 . PHE 17 17 19915 1 . ILE 18 18 19915 1 . GLN 19 19 19915 1 . GLN 20 20 19915 1 . GLU 21 21 19915 1 . GLU 22 22 19915 1 . GLY 23 23 19915 1 . PRO 24 24 19915 1 . ASP 25 25 19915 1 . VAL 26 26 19915 1 . PHE 27 27 19915 1 . VAL 28 28 19915 1 . HIS 29 29 19915 1 . PHE 30 30 19915 1 . THR 31 31 19915 1 . ALA 32 32 19915 1 . ILE 33 33 19915 1 . GLU 34 34 19915 1 . ALA 35 35 19915 1 . ASP 36 36 19915 1 . GLY 37 37 19915 1 . PHE 38 38 19915 1 . ARG 39 39 19915 1 . THR 40 40 19915 1 . LEU 41 41 19915 1 . ASN 42 42 19915 1 . GLU 43 43 19915 1 . GLY 44 44 19915 1 . GLU 45 45 19915 1 . HIS 46 46 19915 1 . VAL 47 47 19915 1 . GLU 48 48 19915 1 . PHE 49 49 19915 1 . GLU 50 50 19915 1 . VAL 51 51 19915 1 . GLU 52 52 19915 1 . PRO 53 53 19915 1 . GLY 54 54 19915 1 . ARG 55 55 19915 1 . GLY 56 56 19915 1 . GLY 57 57 19915 1 . LYS 58 58 19915 1 . GLY 59 59 19915 1 . PRO 60 60 19915 1 . GLN 61 61 19915 1 . ALA 62 62 19915 1 . LYS 63 63 19915 1 . LYS 64 64 19915 1 . VAL 65 65 19915 1 . ARG 66 66 19915 1 . ARG 67 67 19915 1 . ILE 68 68 19915 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 19915 _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 $protein . 271 organism . 'thermus aquaticus' 'thermophilic bacteria' . . Bacteria . thermus aquaticus . . . . . . . . . . . . . . . . . . . . . 19915 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 19915 _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 $protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET11-a . . . . . . 19915 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19915 _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 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19915 1 2 KCl 'natural abundance' . . . . . . 100 . . mM . . . . 19915 1 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 19915 1 4 'Thermus aquaticus cold shock protein' '[U-99% 13C; U-99% 15N]' . . 1 $protein . . 0.8 . . mM . . . . 19915 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19915 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19915 1 stop_ save_ ####################### # Sample conditions # ####################### save_Tacsp_free_condition1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Tacsp_free_condition1 _Sample_condition_list.Entry_ID 19915 _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 . pH 19915 1 pressure 1 . atm 19915 1 temperature 298 . K 19915 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19915 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19915 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 19915 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 19915 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19915 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 19915 _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 Bruker Avance . 800 . . . 19915 1 2 spectrometer_2 Bruker Avance . 500 . . . 19915 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 19915 _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 '3D HNCO' no . . . . . . . . . . . $sample_1 isotropic . . 1 $Tacsp_free_condition1 . . . . . . . . . . . . . . . . . . . . . 19915 1 2 '3D HN(CA)CO' no . . . . . . . . . . . $sample_1 isotropic . . 1 $Tacsp_free_condition1 . . . . . . . . . . . . . . . . . . . . . 19915 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . $sample_1 isotropic . . 1 $Tacsp_free_condition1 . . . . . . . . . . . . . . . . . . . . . 19915 1 4 '3D HN(CO)CA' no . . . . . . . . . . . $sample_1 isotropic . . 1 $Tacsp_free_condition1 . . . . . . . . . . . . . . . . . . . . . 19915 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . . $sample_1 isotropic . . 1 $Tacsp_free_condition1 . . . . . . . . . . . . . . . . . . . . . 19915 1 6 '3D HNHA' no . . . . . . . . . . . $sample_1 isotropic . . 1 $Tacsp_free_condition1 . . . . . . . . . . . . . . . . . . . . . 19915 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . . $sample_1 isotropic . . 1 $Tacsp_free_condition1 . . . . . . . . . . . . . . . . . . . . . 19915 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . . $sample_1 isotropic . . 1 $Tacsp_free_condition1 . . . . . . . . . . . . . . . . . . . . . 19915 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . . $sample_1 isotropic . . 1 $Tacsp_free_condition1 . . . . . . . . . . . . . . . . . . . . . 19915 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . . $sample_1 isotropic . . 1 $Tacsp_free_condition1 . . . . . . . . . . . . . . . . . . . . . 19915 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 19915 _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 internal direct 1.0 . . . . . . . . . 19915 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 19915 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Tacsp_free_condition1 _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 '3D HNCO' . . . 19915 1 2 '3D HN(CA)CO' . . . 19915 1 3 '3D CBCA(CO)NH' . . . 19915 1 4 '3D HN(CO)CA' . . . 19915 1 5 '3D HBHA(CO)NH' . . . 19915 1 6 '3D HNHA' . . . 19915 1 7 '3D HCCH-TOCSY' . . . 19915 1 8 '3D 1H-15N NOESY' . . . 19915 1 9 '3D 1H-13C NOESY' . . . 19915 1 10 '2D 1H-15N HSQC' . . . 19915 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 2 2 LYS H H 1 8.628 0.007 . . . . . A 2 LYS H . 19915 1 2 . 1 1 2 2 LYS HA H 1 4.582 0.001 . . . . . A 2 LYS HA . 19915 1 3 . 1 1 2 2 LYS HB2 H 1 1.327 0.004 . . . . . A 2 LYS HB2 . 19915 1 4 . 1 1 2 2 LYS HB3 H 1 1.099 0.001 . . . . . A 2 LYS HB3 . 19915 1 5 . 1 1 2 2 LYS HG3 H 1 1.095 0.001 . . . . . A 2 LYS HG3 . 19915 1 6 . 1 1 2 2 LYS HD2 H 1 2.372 0.006 . . . . . A 2 LYS HD2 . 19915 1 7 . 1 1 2 2 LYS HD3 H 1 2.241 0.001 . . . . . A 2 LYS HD3 . 19915 1 8 . 1 1 2 2 LYS CA C 13 54.395 0.059 . . . . . A 2 LYS CA . 19915 1 9 . 1 1 2 2 LYS CB C 13 34.710 0.065 . . . . . A 2 LYS CB . 19915 1 10 . 1 1 2 2 LYS CD C 13 31.453 0.040 . . . . . A 2 LYS CD . 19915 1 11 . 1 1 2 2 LYS N N 15 123.000 0.122 . . . . . A 2 LYS N . 19915 1 12 . 1 1 3 3 LYS H H 1 7.657 0.005 . . . . . A 3 LYS H . 19915 1 13 . 1 1 3 3 LYS HA H 1 5.443 0.003 . . . . . A 3 LYS HA . 19915 1 14 . 1 1 3 3 LYS HB2 H 1 1.399 0.003 . . . . . A 3 LYS HB2 . 19915 1 15 . 1 1 3 3 LYS HG2 H 1 1.510 0.000 . . . . . A 3 LYS HG2 . 19915 1 16 . 1 1 3 3 LYS HG3 H 1 1.086 0.006 . . . . . A 3 LYS HG3 . 19915 1 17 . 1 1 3 3 LYS HD2 H 1 1.680 0.006 . . . . . A 3 LYS HD2 . 19915 1 18 . 1 1 3 3 LYS HD3 H 1 1.724 0.000 . . . . . A 3 LYS HD3 . 19915 1 19 . 1 1 3 3 LYS CA C 13 60.714 0.012 . . . . . A 3 LYS CA . 19915 1 20 . 1 1 3 3 LYS CB C 13 32.400 0.126 . . . . . A 3 LYS CB . 19915 1 21 . 1 1 3 3 LYS CG C 13 21.580 0.000 . . . . . A 3 LYS CG . 19915 1 22 . 1 1 3 3 LYS N N 15 107.200 0.027 . . . . . A 3 LYS N . 19915 1 23 . 1 1 4 4 GLY H H 1 8.951 0.010 . . . . . A 4 GLY H . 19915 1 24 . 1 1 4 4 GLY HA2 H 1 4.548 0.000 . . . . . A 4 GLY HA2 . 19915 1 25 . 1 1 4 4 GLY HA3 H 1 3.962 0.003 . . . . . A 4 GLY HA3 . 19915 1 26 . 1 1 4 4 GLY CA C 13 47.085 0.120 . . . . . A 4 GLY CA . 19915 1 27 . 1 1 4 4 GLY N N 15 108.916 0.034 . . . . . A 4 GLY N . 19915 1 28 . 1 1 5 5 THR H H 1 8.199 0.004 . . . . . A 5 THR H . 19915 1 29 . 1 1 5 5 THR HA H 1 5.063 0.003 . . . . . A 5 THR HA . 19915 1 30 . 1 1 5 5 THR HB H 1 4.632 0.005 . . . . . A 5 THR HB . 19915 1 31 . 1 1 5 5 THR HG21 H 1 1.097 0.001 . . . . . A 5 THR HG1 . 19915 1 32 . 1 1 5 5 THR HG22 H 1 1.097 0.001 . . . . . A 5 THR HG1 . 19915 1 33 . 1 1 5 5 THR HG23 H 1 1.097 0.001 . . . . . A 5 THR HG1 . 19915 1 34 . 1 1 5 5 THR CA C 13 59.310 0.000 . . . . . A 5 THR CA . 19915 1 35 . 1 1 5 5 THR CB C 13 72.727 0.043 . . . . . A 5 THR CB . 19915 1 36 . 1 1 5 5 THR CG2 C 13 21.565 0.000 . . . . . A 5 THR CG2 . 19915 1 37 . 1 1 5 5 THR N N 15 119.459 0.027 . . . . . A 5 THR N . 19915 1 38 . 1 1 6 6 VAL H H 1 8.818 0.004 . . . . . A 6 VAL H . 19915 1 39 . 1 1 6 6 VAL HA H 1 3.530 0.006 . . . . . A 6 VAL HA . 19915 1 40 . 1 1 6 6 VAL HB H 1 2.370 0.002 . . . . . A 6 VAL HB . 19915 1 41 . 1 1 6 6 VAL HG21 H 1 0.821 0.001 . . . . . A 6 VAL HG21 . 19915 1 42 . 1 1 6 6 VAL HG22 H 1 0.821 0.001 . . . . . A 6 VAL HG22 . 19915 1 43 . 1 1 6 6 VAL HG23 H 1 0.463 0.002 . . . . . A 6 VAL HG23 . 19915 1 44 . 1 1 6 6 VAL CA C 13 65.690 0.038 . . . . . A 6 VAL CA . 19915 1 45 . 1 1 6 6 VAL CB C 13 32.288 0.031 . . . . . A 6 VAL CB . 19915 1 46 . 1 1 6 6 VAL CG1 C 13 24.374 0.005 . . . . . A 6 VAL CG1 . 19915 1 47 . 1 1 6 6 VAL CG2 C 13 21.089 0.021 . . . . . A 6 VAL CG2 . 19915 1 48 . 1 1 6 6 VAL N N 15 126.647 0.041 . . . . . A 6 VAL N . 19915 1 49 . 1 1 7 7 LYS H H 1 9.139 0.005 . . . . . A 7 LYS H . 19915 1 50 . 1 1 7 7 LYS HA H 1 4.151 0.012 . . . . . A 7 LYS HA . 19915 1 51 . 1 1 7 7 LYS HB2 H 1 2.066 0.004 . . . . . A 7 LYS HB2 . 19915 1 52 . 1 1 7 7 LYS HB3 H 1 1.578 0.005 . . . . . A 7 LYS HB3 . 19915 1 53 . 1 1 7 7 LYS HG2 H 1 1.575 0.002 . . . . . A 7 LYS HG2 . 19915 1 54 . 1 1 7 7 LYS HG3 H 1 1.575 0.002 . . . . . A 7 LYS HG3 . 19915 1 55 . 1 1 7 7 LYS HD2 H 1 1.776 0.006 . . . . . A 7 LYS HD2 . 19915 1 56 . 1 1 7 7 LYS HD3 H 1 1.776 0.006 . . . . . A 7 LYS HD3 . 19915 1 57 . 1 1 7 7 LYS HE2 H 1 3.127 0.004 . . . . . A 7 LYS HE2 . 19915 1 58 . 1 1 7 7 LYS HE3 H 1 3.127 0.004 . . . . . A 7 LYS HE3 . 19915 1 59 . 1 1 7 7 LYS CA C 13 59.757 0.095 . . . . . A 7 LYS CA . 19915 1 60 . 1 1 7 7 LYS CB C 13 34.977 0.069 . . . . . A 7 LYS CB . 19915 1 61 . 1 1 7 7 LYS CG C 13 25.162 0.006 . . . . . A 7 LYS CG . 19915 1 62 . 1 1 7 7 LYS CD C 13 29.930 0.000 . . . . . A 7 LYS CD . 19915 1 63 . 1 1 7 7 LYS CE C 13 42.157 0.033 . . . . . A 7 LYS CE . 19915 1 64 . 1 1 7 7 LYS N N 15 104.469 0.792 . . . . . A 7 LYS N . 19915 1 65 . 1 1 8 8 TRP H H 1 7.427 0.003 . . . . . A 8 TRP H . 19915 1 66 . 1 1 8 8 TRP HA H 1 4.580 0.002 . . . . . A 8 TRP HA . 19915 1 67 . 1 1 8 8 TRP HB2 H 1 3.526 0.002 . . . . . A 8 TRP HB2 . 19915 1 68 . 1 1 8 8 TRP HB3 H 1 3.276 0.003 . . . . . A 8 TRP HB3 . 19915 1 69 . 1 1 8 8 TRP HD1 H 1 7.123 0.000 . . . . . A 8 TRP HD1 . 19915 1 70 . 1 1 8 8 TRP HE1 H 1 9.735 0.000 . . . . . A 8 TRP HE1 . 19915 1 71 . 1 1 8 8 TRP HE3 H 1 6.855 0.000 . . . . . A 8 TRP HE3 . 19915 1 72 . 1 1 8 8 TRP CA C 13 57.229 0.037 . . . . . A 8 TRP CA . 19915 1 73 . 1 1 8 8 TRP CB C 13 31.583 0.048 . . . . . A 8 TRP CB . 19915 1 74 . 1 1 8 8 TRP N N 15 110.745 0.025 . . . . . A 8 TRP N . 19915 1 75 . 1 1 8 8 TRP NE1 N 15 127.690 0.004 . . . . . A 8 TRP NE1 . 19915 1 76 . 1 1 9 9 PHE H H 1 9.247 0.004 . . . . . A 9 PHE H . 19915 1 77 . 1 1 9 9 PHE HA H 1 4.149 0.003 . . . . . A 9 PHE HA . 19915 1 78 . 1 1 9 9 PHE HB2 H 1 2.845 0.002 . . . . . A 9 PHE HB2 . 19915 1 79 . 1 1 9 9 PHE HB3 H 1 2.337 0.003 . . . . . A 9 PHE HB3 . 19915 1 80 . 1 1 9 9 PHE HD1 H 1 6.693 0.002 . . . . . A 9 PHE HD1 . 19915 1 81 . 1 1 9 9 PHE HD2 H 1 6.693 0.002 . . . . . A 9 PHE HD2 . 19915 1 82 . 1 1 9 9 PHE CA C 13 60.381 0.034 . . . . . A 9 PHE CA . 19915 1 83 . 1 1 9 9 PHE CB C 13 42.933 0.030 . . . . . A 9 PHE CB . 19915 1 84 . 1 1 9 9 PHE N N 15 120.922 0.030 . . . . . A 9 PHE N . 19915 1 85 . 1 1 10 10 ASN H H 1 8.171 0.014 . . . . . A 10 ASN H . 19915 1 86 . 1 1 10 10 ASN HA H 1 4.949 0.003 . . . . . A 10 ASN HA . 19915 1 87 . 1 1 10 10 ASN HB2 H 1 2.671 0.006 . . . . . A 10 ASN HB2 . 19915 1 88 . 1 1 10 10 ASN HB3 H 1 2.570 0.002 . . . . . A 10 ASN HB3 . 19915 1 89 . 1 1 10 10 ASN HD21 H 1 7.701 0.001 . . . . . A 10 ASN HD21 . 19915 1 90 . 1 1 10 10 ASN HD22 H 1 7.359 0.000 . . . . . A 10 ASN HD22 . 19915 1 91 . 1 1 10 10 ASN CA C 13 52.520 0.048 . . . . . A 10 ASN CA . 19915 1 92 . 1 1 10 10 ASN CB C 13 39.990 0.022 . . . . . A 10 ASN CB . 19915 1 93 . 1 1 10 10 ASN N N 15 127.119 0.024 . . . . . A 10 ASN N . 19915 1 94 . 1 1 10 10 ASN ND2 N 15 112.830 0.008 . . . . . A 10 ASN ND2 . 19915 1 95 . 1 1 11 11 ALA H H 1 9.105 0.001 . . . . . A 11 ALA H . 19915 1 96 . 1 1 11 11 ALA HA H 1 4.236 0.001 . . . . . A 11 ALA HA . 19915 1 97 . 1 1 11 11 ALA HB1 H 1 1.603 0.001 . . . . . A 11 ALA HB1 . 19915 1 98 . 1 1 11 11 ALA HB2 H 1 1.603 0.001 . . . . . A 11 ALA HB2 . 19915 1 99 . 1 1 11 11 ALA HB3 H 1 1.603 0.001 . . . . . A 11 ALA HB3 . 19915 1 100 . 1 1 11 11 ALA CA C 13 55.476 0.059 . . . . . A 11 ALA CA . 19915 1 101 . 1 1 11 11 ALA CB C 13 19.440 0.058 . . . . . A 11 ALA CB . 19915 1 102 . 1 1 11 11 ALA N N 15 128.949 0.050 . . . . . A 11 ALA N . 19915 1 103 . 1 1 12 12 GLU H H 1 8.023 0.001 . . . . . A 12 GLU H . 19915 1 104 . 1 1 12 12 GLU HA H 1 4.474 0.005 . . . . . A 12 GLU HA . 19915 1 105 . 1 1 12 12 GLU HB2 H 1 2.820 0.004 . . . . . A 12 GLU HB2 . 19915 1 106 . 1 1 12 12 GLU HB3 H 1 2.651 0.001 . . . . . A 12 GLU HB3 . 19915 1 107 . 1 1 12 12 GLU CA C 13 57.724 0.099 . . . . . A 12 GLU CA . 19915 1 108 . 1 1 12 12 GLU CB C 13 31.477 0.028 . . . . . A 12 GLU CB . 19915 1 109 . 1 1 12 12 GLU N N 15 117.291 0.027 . . . . . A 12 GLU N . 19915 1 110 . 1 1 13 13 LYS H H 1 7.437 0.014 . . . . . A 13 LYS H . 19915 1 111 . 1 1 13 13 LYS HA H 1 4.277 0.003 . . . . . A 13 LYS HA . 19915 1 112 . 1 1 13 13 LYS HB2 H 1 1.920 0.005 . . . . . A 13 LYS HB2 . 19915 1 113 . 1 1 13 13 LYS HB3 H 1 1.145 0.003 . . . . . A 13 LYS HB3 . 19915 1 114 . 1 1 13 13 LYS HG2 H 1 1.397 0.003 . . . . . A 13 LYS HG2 . 19915 1 115 . 1 1 13 13 LYS HG3 H 1 1.329 0.008 . . . . . A 13 LYS HG3 . 19915 1 116 . 1 1 13 13 LYS HD2 H 1 1.655 0.031 . . . . . A 13 LYS HD2 . 19915 1 117 . 1 1 13 13 LYS HD3 H 1 1.655 0.031 . . . . . A 13 LYS HD3 . 19915 1 118 . 1 1 13 13 LYS HE2 H 1 3.016 0.020 . . . . . A 13 LYS HE2 . 19915 1 119 . 1 1 13 13 LYS HE3 H 1 3.016 0.020 . . . . . A 13 LYS HE3 . 19915 1 120 . 1 1 13 13 LYS CA C 13 57.285 0.082 . . . . . A 13 LYS CA . 19915 1 121 . 1 1 13 13 LYS CB C 13 34.493 0.035 . . . . . A 13 LYS CB . 19915 1 122 . 1 1 13 13 LYS CG C 13 25.688 0.046 . . . . . A 13 LYS CG . 19915 1 123 . 1 1 13 13 LYS CD C 13 29.312 0.049 . . . . . A 13 LYS CD . 19915 1 124 . 1 1 13 13 LYS CE C 13 42.106 0.050 . . . . . A 13 LYS CE . 19915 1 125 . 1 1 13 13 LYS N N 15 116.096 0.017 . . . . . A 13 LYS N . 19915 1 126 . 1 1 14 14 GLY H H 1 8.185 0.004 . . . . . A 14 GLY H . 19915 1 127 . 1 1 14 14 GLY HA2 H 1 4.110 0.001 . . . . . A 14 GLY HA2 . 19915 1 128 . 1 1 14 14 GLY HA3 H 1 3.784 0.002 . . . . . A 14 GLY HA3 . 19915 1 129 . 1 1 14 14 GLY CA C 13 47.239 0.038 . . . . . A 14 GLY CA . 19915 1 130 . 1 1 14 14 GLY N N 15 107.751 0.022 . . . . . A 14 GLY N . 19915 1 131 . 1 1 15 15 TYR H H 1 6.666 0.004 . . . . . A 15 TYR H . 19915 1 132 . 1 1 15 15 TYR HA H 1 4.936 0.003 . . . . . A 15 TYR HA . 19915 1 133 . 1 1 15 15 TYR HB2 H 1 2.886 0.000 . . . . . A 15 TYR HB2 . 19915 1 134 . 1 1 15 15 TYR HB3 H 1 2.849 0.002 . . . . . A 15 TYR HB3 . 19915 1 135 . 1 1 15 15 TYR HD1 H 1 7.009 0.000 . . . . . A 15 TYR HD1 . 19915 1 136 . 1 1 15 15 TYR HD2 H 1 7.009 0.000 . . . . . A 15 TYR HD2 . 19915 1 137 . 1 1 15 15 TYR HE1 H 1 6.893 0.000 . . . . . A 15 TYR HE1 . 19915 1 138 . 1 1 15 15 TYR HE2 H 1 6.893 0.000 . . . . . A 15 TYR HE2 . 19915 1 139 . 1 1 15 15 TYR CA C 13 56.020 0.030 . . . . . A 15 TYR CA . 19915 1 140 . 1 1 15 15 TYR CB C 13 43.074 0.029 . . . . . A 15 TYR CB . 19915 1 141 . 1 1 15 15 TYR N N 15 112.589 0.014 . . . . . A 15 TYR N . 19915 1 142 . 1 1 16 16 GLY H H 1 8.022 0.006 . . . . . A 16 GLY H . 19915 1 143 . 1 1 16 16 GLY HA2 H 1 3.668 0.005 . . . . . A 16 GLY HA2 . 19915 1 144 . 1 1 16 16 GLY HA3 H 1 2.333 0.002 . . . . . A 16 GLY HA3 . 19915 1 145 . 1 1 16 16 GLY CA C 13 45.959 0.030 . . . . . A 16 GLY CA . 19915 1 146 . 1 1 16 16 GLY N N 15 105.623 0.036 . . . . . A 16 GLY N . 19915 1 147 . 1 1 17 17 PHE H H 1 7.810 0.003 . . . . . A 17 PHE H . 19915 1 148 . 1 1 17 17 PHE HA H 1 5.039 0.003 . . . . . A 17 PHE HA . 19915 1 149 . 1 1 17 17 PHE HB2 H 1 2.502 0.002 . . . . . A 17 PHE HB2 . 19915 1 150 . 1 1 17 17 PHE HB3 H 1 2.102 0.004 . . . . . A 17 PHE HB3 . 19915 1 151 . 1 1 17 17 PHE HD1 H 1 6.600 0.003 . . . . . A 17 PHE HD1 . 19915 1 152 . 1 1 17 17 PHE HD2 H 1 6.600 0.003 . . . . . A 17 PHE HD2 . 19915 1 153 . 1 1 17 17 PHE CA C 13 57.509 0.044 . . . . . A 17 PHE CA . 19915 1 154 . 1 1 17 17 PHE CB C 13 46.284 0.162 . . . . . A 17 PHE CB . 19915 1 155 . 1 1 17 17 PHE N N 15 115.128 0.085 . . . . . A 17 PHE N . 19915 1 156 . 1 1 18 18 ILE H H 1 9.407 0.008 . . . . . A 18 ILE H . 19915 1 157 . 1 1 18 18 ILE HA H 1 4.134 0.002 . . . . . A 18 ILE HA . 19915 1 158 . 1 1 18 18 ILE HB H 1 0.903 0.018 . . . . . A 18 ILE HB . 19915 1 159 . 1 1 18 18 ILE HG12 H 1 1.120 0.004 . . . . . A 18 ILE HG12 . 19915 1 160 . 1 1 18 18 ILE HG13 H 1 0.254 0.007 . . . . . A 18 ILE HG13 . 19915 1 161 . 1 1 18 18 ILE HG21 H 1 0.097 0.004 . . . . . A 18 ILE HG21 . 19915 1 162 . 1 1 18 18 ILE HG22 H 1 0.097 0.004 . . . . . A 18 ILE HG22 . 19915 1 163 . 1 1 18 18 ILE HG23 H 1 0.097 0.004 . . . . . A 18 ILE HG23 . 19915 1 164 . 1 1 18 18 ILE HD11 H 1 -0.201 0.001 . . . . . A 18 ILE HD11 . 19915 1 165 . 1 1 18 18 ILE HD12 H 1 -0.201 0.001 . . . . . A 18 ILE HD12 . 19915 1 166 . 1 1 18 18 ILE HD13 H 1 -0.201 0.001 . . . . . A 18 ILE HD13 . 19915 1 167 . 1 1 18 18 ILE CA C 13 60.454 0.058 . . . . . A 18 ILE CA . 19915 1 168 . 1 1 18 18 ILE CB C 13 42.821 0.024 . . . . . A 18 ILE CB . 19915 1 169 . 1 1 18 18 ILE CG1 C 13 27.779 0.026 . . . . . A 18 ILE CG1 . 19915 1 170 . 1 1 18 18 ILE CG2 C 13 18.025 0.006 . . . . . A 18 ILE CG2 . 19915 1 171 . 1 1 18 18 ILE CD1 C 13 13.621 0.047 . . . . . A 18 ILE CD1 . 19915 1 172 . 1 1 18 18 ILE N N 15 121.714 0.017 . . . . . A 18 ILE N . 19915 1 173 . 1 1 19 19 GLN H H 1 9.353 0.002 . . . . . A 19 GLN H . 19915 1 174 . 1 1 19 19 GLN HA H 1 4.155 0.000 . . . . . A 19 GLN HA . 19915 1 175 . 1 1 19 19 GLN HB2 H 1 1.586 0.000 . . . . . A 19 GLN HB2 . 19915 1 176 . 1 1 19 19 GLN HB3 H 1 1.374 0.000 . . . . . A 19 GLN HB3 . 19915 1 177 . 1 1 19 19 GLN HG2 H 1 2.059 0.000 . . . . . A 19 GLN HG2 . 19915 1 178 . 1 1 19 19 GLN HG3 H 1 2.059 0.000 . . . . . A 19 GLN HG3 . 19915 1 179 . 1 1 19 19 GLN HE21 H 1 7.571 0.000 . . . . . A 19 GLN HE21 . 19915 1 180 . 1 1 19 19 GLN HE22 H 1 6.851 0.000 . . . . . A 19 GLN HE22 . 19915 1 181 . 1 1 19 19 GLN CA C 13 60.293 0.000 . . . . . A 19 GLN CA . 19915 1 182 . 1 1 19 19 GLN CB C 13 31.390 0.000 . . . . . A 19 GLN CB . 19915 1 183 . 1 1 19 19 GLN N N 15 126.901 0.016 . . . . . A 19 GLN N . 19915 1 184 . 1 1 19 19 GLN NE2 N 15 115.398 0.000 . . . . . A 19 GLN NE2 . 19915 1 185 . 1 1 20 20 GLN HA H 1 4.717 0.000 . . . . . A 20 GLN HA . 19915 1 186 . 1 1 20 20 GLN HB2 H 1 2.078 0.002 . . . . . A 20 GLN HB2 . 19915 1 187 . 1 1 20 20 GLN HB3 H 1 1.903 0.000 . . . . . A 20 GLN HB3 . 19915 1 188 . 1 1 20 20 GLN HG2 H 1 2.247 0.000 . . . . . A 20 GLN HG2 . 19915 1 189 . 1 1 20 20 GLN HG3 H 1 2.247 0.000 . . . . . A 20 GLN HG3 . 19915 1 190 . 1 1 20 20 GLN HE21 H 1 7.130 0.000 . . . . . A 20 GLN HE21 . 19915 1 191 . 1 1 20 20 GLN HE22 H 1 6.870 0.000 . . . . . A 20 GLN HE22 . 19915 1 192 . 1 1 20 20 GLN NE2 N 15 113.611 0.001 . . . . . A 20 GLN NE2 . 19915 1 193 . 1 1 21 21 GLU H H 1 9.202 0.002 . . . . . A 21 GLU H . 19915 1 194 . 1 1 21 21 GLU HA H 1 4.629 0.000 . . . . . A 21 GLU HA . 19915 1 195 . 1 1 21 21 GLU HB2 H 1 2.355 0.000 . . . . . A 21 GLU HB2 . 19915 1 196 . 1 1 21 21 GLU HB3 H 1 2.466 0.008 . . . . . A 21 GLU HB3 . 19915 1 197 . 1 1 21 21 GLU HG2 H 1 2.739 0.007 . . . . . A 21 GLU HG2 . 19915 1 198 . 1 1 21 21 GLU HG3 H 1 2.739 0.007 . . . . . A 21 GLU HG3 . 19915 1 199 . 1 1 21 21 GLU CA C 13 57.470 0.069 . . . . . A 21 GLU CA . 19915 1 200 . 1 1 21 21 GLU CB C 13 31.380 0.012 . . . . . A 21 GLU CB . 19915 1 201 . 1 1 21 21 GLU N N 15 123.394 0.048 . . . . . A 21 GLU N . 19915 1 202 . 1 1 22 22 GLU H H 1 7.989 0.004 . . . . . A 22 GLU H . 19915 1 203 . 1 1 22 22 GLU HA H 1 4.544 0.003 . . . . . A 22 GLU HA . 19915 1 204 . 1 1 22 22 GLU HB2 H 1 2.361 0.000 . . . . . A 22 GLU HB2 . 19915 1 205 . 1 1 22 22 GLU HB3 H 1 2.254 0.000 . . . . . A 22 GLU HB3 . 19915 1 206 . 1 1 22 22 GLU HG2 H 1 3.084 0.004 . . . . . A 22 GLU HG2 . 19915 1 207 . 1 1 22 22 GLU HG3 H 1 2.634 0.001 . . . . . A 22 GLU HG3 . 19915 1 208 . 1 1 22 22 GLU CA C 13 54.711 0.091 . . . . . A 22 GLU CA . 19915 1 209 . 1 1 22 22 GLU CG C 13 40.630 0.042 . . . . . A 22 GLU CG . 19915 1 210 . 1 1 22 22 GLU N N 15 117.042 0.011 . . . . . A 22 GLU N . 19915 1 211 . 1 1 23 23 GLY H H 1 7.672 0.004 . . . . . A 23 GLY H . 19915 1 212 . 1 1 23 23 GLY HA2 H 1 4.168 0.003 . . . . . A 23 GLY HA2 . 19915 1 213 . 1 1 23 23 GLY HA3 H 1 3.916 0.001 . . . . . A 23 GLY HA3 . 19915 1 214 . 1 1 23 23 GLY CA C 13 46.685 0.075 . . . . . A 23 GLY CA . 19915 1 215 . 1 1 23 23 GLY N N 15 107.576 0.042 . . . . . A 23 GLY N . 19915 1 216 . 1 1 24 24 PRO HA H 1 4.134 0.005 . . . . . A 24 PRO HA . 19915 1 217 . 1 1 24 24 PRO HB2 H 1 1.914 0.002 . . . . . A 24 PRO HB2 . 19915 1 218 . 1 1 24 24 PRO HB3 H 1 1.914 0.002 . . . . . A 24 PRO HB3 . 19915 1 219 . 1 1 24 24 PRO HG2 H 1 1.676 0.007 . . . . . A 24 PRO HG2 . 19915 1 220 . 1 1 24 24 PRO HG3 H 1 1.633 0.000 . . . . . A 24 PRO HG3 . 19915 1 221 . 1 1 24 24 PRO HD2 H 1 3.536 0.000 . . . . . A 24 PRO HD2 . 19915 1 222 . 1 1 24 24 PRO HD3 H 1 3.883 0.000 . . . . . A 24 PRO HD3 . 19915 1 223 . 1 1 24 24 PRO CA C 13 57.854 0.033 . . . . . A 24 PRO CA . 19915 1 224 . 1 1 24 24 PRO CB C 13 34.042 0.025 . . . . . A 24 PRO CB . 19915 1 225 . 1 1 24 24 PRO CG C 13 24.370 0.009 . . . . . A 24 PRO CG . 19915 1 226 . 1 1 25 25 ASP H H 1 7.974 0.003 . . . . . A 25 ASP H . 19915 1 227 . 1 1 25 25 ASP HA H 1 4.796 0.000 . . . . . A 25 ASP HA . 19915 1 228 . 1 1 25 25 ASP HB2 H 1 2.498 0.002 . . . . . A 25 ASP HB2 . 19915 1 229 . 1 1 25 25 ASP HB3 H 1 2.498 0.002 . . . . . A 25 ASP HB3 . 19915 1 230 . 1 1 25 25 ASP CA C 13 56.353 0.000 . . . . . A 25 ASP CA . 19915 1 231 . 1 1 25 25 ASP CB C 13 42.201 0.013 . . . . . A 25 ASP CB . 19915 1 232 . 1 1 25 25 ASP N N 15 118.400 0.025 . . . . . A 25 ASP N . 19915 1 233 . 1 1 26 26 VAL H H 1 9.319 0.003 . . . . . A 26 VAL H . 19915 1 234 . 1 1 26 26 VAL HA H 1 4.302 0.001 . . . . . A 26 VAL HA . 19915 1 235 . 1 1 26 26 VAL HB H 1 1.552 0.003 . . . . . A 26 VAL HB . 19915 1 236 . 1 1 26 26 VAL HG21 H 1 1.029 0.002 . . . . . A 26 VAL HG21 . 19915 1 237 . 1 1 26 26 VAL HG22 H 1 1.029 0.002 . . . . . A 26 VAL HG22 . 19915 1 238 . 1 1 26 26 VAL HG23 H 1 0.741 0.003 . . . . . A 26 VAL HG23 . 19915 1 239 . 1 1 26 26 VAL CA C 13 61.853 0.043 . . . . . A 26 VAL CA . 19915 1 240 . 1 1 26 26 VAL CB C 13 35.914 0.054 . . . . . A 26 VAL CB . 19915 1 241 . 1 1 26 26 VAL CG1 C 13 21.780 0.060 . . . . . A 26 VAL CG1 . 19915 1 242 . 1 1 26 26 VAL N N 15 121.011 0.035 . . . . . A 26 VAL N . 19915 1 243 . 1 1 27 27 PHE H H 1 8.575 0.003 . . . . . A 27 PHE H . 19915 1 244 . 1 1 27 27 PHE HA H 1 3.416 0.002 . . . . . A 27 PHE HA . 19915 1 245 . 1 1 27 27 PHE HB2 H 1 2.812 0.003 . . . . . A 27 PHE HB2 . 19915 1 246 . 1 1 27 27 PHE HB3 H 1 2.562 0.004 . . . . . A 27 PHE HB3 . 19915 1 247 . 1 1 27 27 PHE HD1 H 1 6.488 0.002 . . . . . A 27 PHE HD1 . 19915 1 248 . 1 1 27 27 PHE HD2 H 1 6.488 0.002 . . . . . A 27 PHE HD2 . 19915 1 249 . 1 1 27 27 PHE CA C 13 59.329 0.063 . . . . . A 27 PHE CA . 19915 1 250 . 1 1 27 27 PHE CB C 13 41.293 0.091 . . . . . A 27 PHE CB . 19915 1 251 . 1 1 27 27 PHE N N 15 130.309 0.015 . . . . . A 27 PHE N . 19915 1 252 . 1 1 28 28 VAL H H 1 7.785 0.004 . . . . . A 28 VAL H . 19915 1 253 . 1 1 28 28 VAL HA H 1 4.365 0.002 . . . . . A 28 VAL HA . 19915 1 254 . 1 1 28 28 VAL HB H 1 1.312 0.004 . . . . . A 28 VAL HB . 19915 1 255 . 1 1 28 28 VAL HG21 H 1 0.457 0.004 . . . . . A 28 VAL HG21 . 19915 1 256 . 1 1 28 28 VAL HG22 H 1 0.457 0.004 . . . . . A 28 VAL HG22 . 19915 1 257 . 1 1 28 28 VAL HG23 H 1 0.298 0.001 . . . . . A 28 VAL HG23 . 19915 1 258 . 1 1 28 28 VAL CA C 13 58.593 0.039 . . . . . A 28 VAL CA . 19915 1 259 . 1 1 28 28 VAL CB C 13 34.902 0.064 . . . . . A 28 VAL CB . 19915 1 260 . 1 1 28 28 VAL CG1 C 13 22.660 0.018 . . . . . A 28 VAL CG1 . 19915 1 261 . 1 1 28 28 VAL CG2 C 13 18.003 0.021 . . . . . A 28 VAL CG2 . 19915 1 262 . 1 1 28 28 VAL N N 15 124.445 0.034 . . . . . A 28 VAL N . 19915 1 263 . 1 1 29 29 HIS H H 1 8.538 0.012 . . . . . A 29 HIS H . 19915 1 264 . 1 1 29 29 HIS HA H 1 4.585 0.002 . . . . . A 29 HIS HA . 19915 1 265 . 1 1 29 29 HIS HB2 H 1 3.092 0.000 . . . . . A 29 HIS HB2 . 19915 1 266 . 1 1 29 29 HIS HB3 H 1 2.615 0.005 . . . . . A 29 HIS HB3 . 19915 1 267 . 1 1 29 29 HIS HD2 H 1 6.887 0.000 . . . . . A 29 HIS HD2 . 19915 1 268 . 1 1 29 29 HIS CA C 13 56.491 0.083 . . . . . A 29 HIS CA . 19915 1 269 . 1 1 29 29 HIS CB C 13 34.931 0.048 . . . . . A 29 HIS CB . 19915 1 270 . 1 1 29 29 HIS N N 15 127.048 0.033 . . . . . A 29 HIS N . 19915 1 271 . 1 1 30 30 PHE H H 1 8.331 0.003 . . . . . A 30 PHE H . 19915 1 272 . 1 1 30 30 PHE HA H 1 3.919 0.002 . . . . . A 30 PHE HA . 19915 1 273 . 1 1 30 30 PHE HB2 H 1 3.091 0.002 . . . . . A 30 PHE HB2 . 19915 1 274 . 1 1 30 30 PHE HB3 H 1 2.754 0.002 . . . . . A 30 PHE HB3 . 19915 1 275 . 1 1 30 30 PHE HD1 H 1 6.901 0.000 . . . . . A 30 PHE HD1 . 19915 1 276 . 1 1 30 30 PHE HD2 H 1 6.901 0.000 . . . . . A 30 PHE HD2 . 19915 1 277 . 1 1 30 30 PHE CA C 13 60.871 0.056 . . . . . A 30 PHE CA . 19915 1 278 . 1 1 30 30 PHE CB C 13 38.312 0.068 . . . . . A 30 PHE CB . 19915 1 279 . 1 1 30 30 PHE N N 15 123.381 0.050 . . . . . A 30 PHE N . 19915 1 280 . 1 1 31 31 THR H H 1 7.606 0.022 . . . . . A 31 THR H . 19915 1 281 . 1 1 31 31 THR HA H 1 3.656 0.002 . . . . . A 31 THR HA . 19915 1 282 . 1 1 31 31 THR HB H 1 3.337 0.011 . . . . . A 31 THR HB . 19915 1 283 . 1 1 31 31 THR CA C 13 60.891 0.120 . . . . . A 31 THR CA . 19915 1 284 . 1 1 31 31 THR CB C 13 63.467 0.039 . . . . . A 31 THR CB . 19915 1 285 . 1 1 31 31 THR CG2 C 13 23.699 0.000 . . . . . A 31 THR CG2 . 19915 1 286 . 1 1 31 31 THR N N 15 117.402 0.012 . . . . . A 31 THR N . 19915 1 287 . 1 1 32 32 ALA H H 1 8.045 0.002 . . . . . A 32 ALA H . 19915 1 288 . 1 1 32 32 ALA HA H 1 4.391 0.004 . . . . . A 32 ALA HA . 19915 1 289 . 1 1 32 32 ALA HB1 H 1 1.538 0.003 . . . . . A 32 ALA HB1 . 19915 1 290 . 1 1 32 32 ALA HB2 H 1 1.538 0.003 . . . . . A 32 ALA HB2 . 19915 1 291 . 1 1 32 32 ALA HB3 H 1 1.538 0.003 . . . . . A 32 ALA HB3 . 19915 1 292 . 1 1 32 32 ALA CA C 13 53.470 0.052 . . . . . A 32 ALA CA . 19915 1 293 . 1 1 32 32 ALA CB C 13 21.720 0.043 . . . . . A 32 ALA CB . 19915 1 294 . 1 1 32 32 ALA N N 15 124.423 0.029 . . . . . A 32 ALA N . 19915 1 295 . 1 1 33 33 ILE H H 1 7.471 0.006 . . . . . A 33 ILE H . 19915 1 296 . 1 1 33 33 ILE HA H 1 3.882 0.003 . . . . . A 33 ILE HA . 19915 1 297 . 1 1 33 33 ILE HB H 1 1.876 0.003 . . . . . A 33 ILE HB . 19915 1 298 . 1 1 33 33 ILE HG12 H 1 1.485 0.002 . . . . . A 33 ILE HG12 . 19915 1 299 . 1 1 33 33 ILE HG13 H 1 0.300 0.001 . . . . . A 33 ILE HG13 . 19915 1 300 . 1 1 33 33 ILE HG21 H 1 0.736 0.003 . . . . . A 33 ILE HG21 . 19915 1 301 . 1 1 33 33 ILE HG22 H 1 0.736 0.003 . . . . . A 33 ILE HG22 . 19915 1 302 . 1 1 33 33 ILE HG23 H 1 0.736 0.003 . . . . . A 33 ILE HG23 . 19915 1 303 . 1 1 33 33 ILE HD11 H 1 0.323 0.003 . . . . . A 33 ILE HD11 . 19915 1 304 . 1 1 33 33 ILE HD12 H 1 0.323 0.003 . . . . . A 33 ILE HD12 . 19915 1 305 . 1 1 33 33 ILE HD13 H 1 0.323 0.003 . . . . . A 33 ILE HD13 . 19915 1 306 . 1 1 33 33 ILE CA C 13 63.630 0.037 . . . . . A 33 ILE CA . 19915 1 307 . 1 1 33 33 ILE CB C 13 38.791 0.068 . . . . . A 33 ILE CB . 19915 1 308 . 1 1 33 33 ILE CG1 C 13 27.863 0.024 . . . . . A 33 ILE CG1 . 19915 1 309 . 1 1 33 33 ILE CG2 C 13 17.102 0.012 . . . . . A 33 ILE CG2 . 19915 1 310 . 1 1 33 33 ILE CD1 C 13 14.252 0.029 . . . . . A 33 ILE CD1 . 19915 1 311 . 1 1 33 33 ILE N N 15 119.413 0.029 . . . . . A 33 ILE N . 19915 1 312 . 1 1 34 34 GLU H H 1 8.973 0.002 . . . . . A 34 GLU H . 19915 1 313 . 1 1 34 34 GLU HA H 1 4.306 0.002 . . . . . A 34 GLU HA . 19915 1 314 . 1 1 34 34 GLU HB2 H 1 2.070 0.002 . . . . . A 34 GLU HB2 . 19915 1 315 . 1 1 34 34 GLU HB3 H 1 1.821 0.001 . . . . . A 34 GLU HB3 . 19915 1 316 . 1 1 34 34 GLU HG2 H 1 2.245 0.004 . . . . . A 34 GLU HG2 . 19915 1 317 . 1 1 34 34 GLU HG3 H 1 2.245 0.004 . . . . . A 34 GLU HG3 . 19915 1 318 . 1 1 34 34 GLU CA C 13 56.291 0.044 . . . . . A 34 GLU CA . 19915 1 319 . 1 1 34 34 GLU CB C 13 29.910 0.058 . . . . . A 34 GLU CB . 19915 1 320 . 1 1 34 34 GLU CG C 13 33.583 0.000 . . . . . A 34 GLU CG . 19915 1 321 . 1 1 34 34 GLU N N 15 127.220 0.045 . . . . . A 34 GLU N . 19915 1 322 . 1 1 35 35 ALA H H 1 7.557 0.003 . . . . . A 35 ALA H . 19915 1 323 . 1 1 35 35 ALA HA H 1 4.622 0.002 . . . . . A 35 ALA HA . 19915 1 324 . 1 1 35 35 ALA HB1 H 1 1.631 0.007 . . . . . A 35 ALA HB1 . 19915 1 325 . 1 1 35 35 ALA HB2 H 1 1.631 0.007 . . . . . A 35 ALA HB2 . 19915 1 326 . 1 1 35 35 ALA HB3 H 1 1.631 0.007 . . . . . A 35 ALA HB3 . 19915 1 327 . 1 1 35 35 ALA CA C 13 54.150 0.044 . . . . . A 35 ALA CA . 19915 1 328 . 1 1 35 35 ALA CB C 13 19.827 0.062 . . . . . A 35 ALA CB . 19915 1 329 . 1 1 35 35 ALA N N 15 119.122 0.028 . . . . . A 35 ALA N . 19915 1 330 . 1 1 36 36 ASP H H 1 8.582 0.002 . . . . . A 36 ASP H . 19915 1 331 . 1 1 36 36 ASP HA H 1 4.575 0.005 . . . . . A 36 ASP HA . 19915 1 332 . 1 1 36 36 ASP HB2 H 1 2.669 0.003 . . . . . A 36 ASP HB2 . 19915 1 333 . 1 1 36 36 ASP HB3 H 1 2.575 0.002 . . . . . A 36 ASP HB3 . 19915 1 334 . 1 1 36 36 ASP CA C 13 55.982 0.069 . . . . . A 36 ASP CA . 19915 1 335 . 1 1 36 36 ASP CB C 13 41.691 0.041 . . . . . A 36 ASP CB . 19915 1 336 . 1 1 36 36 ASP N N 15 121.814 0.039 . . . . . A 36 ASP N . 19915 1 337 . 1 1 37 37 GLY H H 1 8.297 0.002 . . . . . A 37 GLY H . 19915 1 338 . 1 1 37 37 GLY HA2 H 1 4.770 0.000 . . . . . A 37 GLY HA2 . 19915 1 339 . 1 1 37 37 GLY HA3 H 1 3.920 0.001 . . . . . A 37 GLY HA3 . 19915 1 340 . 1 1 37 37 GLY CA C 13 46.108 0.003 . . . . . A 37 GLY CA . 19915 1 341 . 1 1 37 37 GLY N N 15 109.101 0.033 . . . . . A 37 GLY N . 19915 1 342 . 1 1 38 38 PHE H H 1 7.972 0.003 . . . . . A 38 PHE H . 19915 1 343 . 1 1 38 38 PHE HA H 1 4.050 0.003 . . . . . A 38 PHE HA . 19915 1 344 . 1 1 38 38 PHE HB2 H 1 2.878 0.002 . . . . . A 38 PHE HB2 . 19915 1 345 . 1 1 38 38 PHE HB3 H 1 2.664 0.004 . . . . . A 38 PHE HB3 . 19915 1 346 . 1 1 38 38 PHE HD1 H 1 6.782 0.001 . . . . . A 38 PHE HD1 . 19915 1 347 . 1 1 38 38 PHE HD2 H 1 6.782 0.001 . . . . . A 38 PHE HD2 . 19915 1 348 . 1 1 38 38 PHE CA C 13 59.050 0.034 . . . . . A 38 PHE CA . 19915 1 349 . 1 1 38 38 PHE CB C 13 39.273 0.035 . . . . . A 38 PHE CB . 19915 1 350 . 1 1 38 38 PHE N N 15 121.524 0.018 . . . . . A 38 PHE N . 19915 1 351 . 1 1 40 40 THR H H 1 7.370 0.001 . . . . . A 40 THR H . 19915 1 352 . 1 1 40 40 THR HA H 1 3.776 0.002 . . . . . A 40 THR HA . 19915 1 353 . 1 1 40 40 THR HB H 1 3.557 0.005 . . . . . A 40 THR HB . 19915 1 354 . 1 1 40 40 THR CA C 13 57.432 0.074 . . . . . A 40 THR CA . 19915 1 355 . 1 1 40 40 THR CB C 13 64.914 0.014 . . . . . A 40 THR CB . 19915 1 356 . 1 1 41 41 LEU H H 1 5.887 0.006 . . . . . A 41 LEU H . 19915 1 357 . 1 1 41 41 LEU HA H 1 4.433 0.004 . . . . . A 41 LEU HA . 19915 1 358 . 1 1 41 41 LEU HB2 H 1 0.982 0.002 . . . . . A 41 LEU HB2 . 19915 1 359 . 1 1 41 41 LEU HB3 H 1 0.228 0.006 . . . . . A 41 LEU HB3 . 19915 1 360 . 1 1 41 41 LEU HG H 1 0.708 0.014 . . . . . A 41 LEU HG . 19915 1 361 . 1 1 41 41 LEU HD11 H 1 0.455 0.004 . . . . . A 41 LEU HD11 . 19915 1 362 . 1 1 41 41 LEU HD12 H 1 0.455 0.004 . . . . . A 41 LEU HD12 . 19915 1 363 . 1 1 41 41 LEU HD13 H 1 0.455 0.004 . . . . . A 41 LEU HD13 . 19915 1 364 . 1 1 41 41 LEU HD21 H 1 0.455 0.004 . . . . . A 41 LEU HD21 . 19915 1 365 . 1 1 41 41 LEU HD22 H 1 0.455 0.004 . . . . . A 41 LEU HD22 . 19915 1 366 . 1 1 41 41 LEU HD23 H 1 0.455 0.004 . . . . . A 41 LEU HD23 . 19915 1 367 . 1 1 41 41 LEU CA C 13 53.621 0.039 . . . . . A 41 LEU CA . 19915 1 368 . 1 1 41 41 LEU CB C 13 46.674 0.032 . . . . . A 41 LEU CB . 19915 1 369 . 1 1 41 41 LEU CG C 13 25.749 0.076 . . . . . A 41 LEU CG . 19915 1 370 . 1 1 41 41 LEU CD1 C 13 22.610 0.052 . . . . . A 41 LEU CD1 . 19915 1 371 . 1 1 41 41 LEU N N 15 119.141 0.017 . . . . . A 41 LEU N . 19915 1 372 . 1 1 42 42 ASN H H 1 8.211 0.004 . . . . . A 42 ASN H . 19915 1 373 . 1 1 42 42 ASN HA H 1 4.948 0.003 . . . . . A 42 ASN HA . 19915 1 374 . 1 1 42 42 ASN HB2 H 1 2.604 0.002 . . . . . A 42 ASN HB2 . 19915 1 375 . 1 1 42 42 ASN HB3 H 1 2.328 0.001 . . . . . A 42 ASN HB3 . 19915 1 376 . 1 1 42 42 ASN HD21 H 1 7.580 0.000 . . . . . A 42 ASN HD21 . 19915 1 377 . 1 1 42 42 ASN HD22 H 1 6.832 0.000 . . . . . A 42 ASN HD22 . 19915 1 378 . 1 1 42 42 ASN CA C 13 53.539 0.071 . . . . . A 42 ASN CA . 19915 1 379 . 1 1 42 42 ASN CB C 13 43.818 0.164 . . . . . A 42 ASN CB . 19915 1 380 . 1 1 42 42 ASN N N 15 119.111 0.026 . . . . . A 42 ASN N . 19915 1 381 . 1 1 42 42 ASN ND2 N 15 112.601 0.012 . . . . . A 42 ASN ND2 . 19915 1 382 . 1 1 43 43 GLU H H 1 8.662 0.005 . . . . . A 43 GLU H . 19915 1 383 . 1 1 43 43 GLU HA H 1 3.559 0.002 . . . . . A 43 GLU HA . 19915 1 384 . 1 1 43 43 GLU HB2 H 1 2.212 0.003 . . . . . A 43 GLU HB2 . 19915 1 385 . 1 1 43 43 GLU HB3 H 1 2.009 0.007 . . . . . A 43 GLU HB3 . 19915 1 386 . 1 1 43 43 GLU HG2 H 1 2.575 0.004 . . . . . A 43 GLU HG2 . 19915 1 387 . 1 1 43 43 GLU HG3 H 1 2.244 0.000 . . . . . A 43 GLU HG3 . 19915 1 388 . 1 1 43 43 GLU CA C 13 59.148 0.012 . . . . . A 43 GLU CA . 19915 1 389 . 1 1 43 43 GLU CB C 13 30.122 0.052 . . . . . A 43 GLU CB . 19915 1 390 . 1 1 43 43 GLU CG C 13 35.524 0.097 . . . . . A 43 GLU CG . 19915 1 391 . 1 1 43 43 GLU N N 15 121.200 0.038 . . . . . A 43 GLU N . 19915 1 392 . 1 1 44 44 GLY H H 1 9.091 0.002 . . . . . A 44 GLY H . 19915 1 393 . 1 1 44 44 GLY HA2 H 1 4.324 0.003 . . . . . A 44 GLY HA2 . 19915 1 394 . 1 1 44 44 GLY HA3 H 1 3.546 0.002 . . . . . A 44 GLY HA3 . 19915 1 395 . 1 1 44 44 GLY CA C 13 46.041 0.020 . . . . . A 44 GLY CA . 19915 1 396 . 1 1 44 44 GLY N N 15 114.013 0.016 . . . . . A 44 GLY N . 19915 1 397 . 1 1 45 45 GLU H H 1 7.760 0.002 . . . . . A 45 GLU H . 19915 1 398 . 1 1 45 45 GLU HA H 1 4.172 0.003 . . . . . A 45 GLU HA . 19915 1 399 . 1 1 45 45 GLU HB2 H 1 2.181 0.003 . . . . . A 45 GLU HB2 . 19915 1 400 . 1 1 45 45 GLU HB3 H 1 1.943 0.003 . . . . . A 45 GLU HB3 . 19915 1 401 . 1 1 45 45 GLU HG2 H 1 2.365 0.007 . . . . . A 45 GLU HG2 . 19915 1 402 . 1 1 45 45 GLU HG3 H 1 2.307 0.000 . . . . . A 45 GLU HG3 . 19915 1 403 . 1 1 45 45 GLU CA C 13 57.353 0.173 . . . . . A 45 GLU CA . 19915 1 404 . 1 1 45 45 GLU CB C 13 31.022 0.042 . . . . . A 45 GLU CB . 19915 1 405 . 1 1 45 45 GLU CG C 13 33.506 0.038 . . . . . A 45 GLU CG . 19915 1 406 . 1 1 45 45 GLU N N 15 121.040 0.025 . . . . . A 45 GLU N . 19915 1 407 . 1 1 46 46 HIS H H 1 8.785 0.004 . . . . . A 46 HIS H . 19915 1 408 . 1 1 46 46 HIS HA H 1 5.013 0.002 . . . . . A 46 HIS HA . 19915 1 409 . 1 1 46 46 HIS HB3 H 1 1.867 0.003 . . . . . A 46 HIS HB3 . 19915 1 410 . 1 1 46 46 HIS HD2 H 1 7.414 0.000 . . . . . A 46 HIS HD2 . 19915 1 411 . 1 1 46 46 HIS CA C 13 57.532 0.000 . . . . . A 46 HIS CA . 19915 1 412 . 1 1 46 46 HIS CB C 13 33.691 0.012 . . . . . A 46 HIS CB . 19915 1 413 . 1 1 46 46 HIS N N 15 126.336 0.051 . . . . . A 46 HIS N . 19915 1 414 . 1 1 47 47 VAL H H 1 8.605 0.011 . . . . . A 47 VAL H . 19915 1 415 . 1 1 47 47 VAL HA H 1 5.355 0.003 . . . . . A 47 VAL HA . 19915 1 416 . 1 1 47 47 VAL HB H 1 2.130 0.003 . . . . . A 47 VAL HB . 19915 1 417 . 1 1 47 47 VAL HG21 H 1 0.569 0.003 . . . . . A 47 VAL HG21 . 19915 1 418 . 1 1 47 47 VAL HG22 H 1 0.569 0.003 . . . . . A 47 VAL HG22 . 19915 1 419 . 1 1 47 47 VAL HG23 H 1 0.469 0.003 . . . . . A 47 VAL HG23 . 19915 1 420 . 1 1 47 47 VAL CA C 13 59.702 0.056 . . . . . A 47 VAL CA . 19915 1 421 . 1 1 47 47 VAL CB C 13 37.630 0.059 . . . . . A 47 VAL CB . 19915 1 422 . 1 1 47 47 VAL CG1 C 13 22.967 0.009 . . . . . A 47 VAL CG1 . 19915 1 423 . 1 1 47 47 VAL CG2 C 13 18.298 0.000 . . . . . A 47 VAL CG2 . 19915 1 424 . 1 1 47 47 VAL N N 15 115.822 0.023 . . . . . A 47 VAL N . 19915 1 425 . 1 1 48 48 GLU H H 1 9.124 0.008 . . . . . A 48 GLU H . 19915 1 426 . 1 1 48 48 GLU HA H 1 4.641 0.003 . . . . . A 48 GLU HA . 19915 1 427 . 1 1 48 48 GLU HB2 H 1 2.804 0.001 . . . . . A 48 GLU HB2 . 19915 1 428 . 1 1 48 48 GLU HB3 H 1 2.722 0.001 . . . . . A 48 GLU HB3 . 19915 1 429 . 1 1 48 48 GLU CA C 13 56.694 0.048 . . . . . A 48 GLU CA . 19915 1 430 . 1 1 48 48 GLU CB C 13 26.902 0.171 . . . . . A 48 GLU CB . 19915 1 431 . 1 1 48 48 GLU N N 15 114.820 0.019 . . . . . A 48 GLU N . 19915 1 432 . 1 1 49 49 PHE H H 1 8.663 0.008 . . . . . A 49 PHE H . 19915 1 433 . 1 1 49 49 PHE HA H 1 5.227 0.001 . . . . . A 49 PHE HA . 19915 1 434 . 1 1 49 49 PHE HB2 H 1 3.221 0.011 . . . . . A 49 PHE HB2 . 19915 1 435 . 1 1 49 49 PHE HB3 H 1 3.161 0.007 . . . . . A 49 PHE HB3 . 19915 1 436 . 1 1 49 49 PHE HD1 H 1 6.790 0.000 . . . . . A 49 PHE HD1 . 19915 1 437 . 1 1 49 49 PHE HD2 H 1 6.790 0.000 . . . . . A 49 PHE HD2 . 19915 1 438 . 1 1 49 49 PHE CA C 13 57.340 0.116 . . . . . A 49 PHE CA . 19915 1 439 . 1 1 49 49 PHE CB C 13 41.130 0.101 . . . . . A 49 PHE CB . 19915 1 440 . 1 1 49 49 PHE N N 15 117.334 0.015 . . . . . A 49 PHE N . 19915 1 441 . 1 1 50 50 GLU H H 1 8.979 0.002 . . . . . A 50 GLU H . 19915 1 442 . 1 1 50 50 GLU HA H 1 5.062 0.004 . . . . . A 50 GLU HA . 19915 1 443 . 1 1 50 50 GLU HB2 H 1 2.197 0.002 . . . . . A 50 GLU HB2 . 19915 1 444 . 1 1 50 50 GLU HG2 H 1 2.114 0.000 . . . . . A 50 GLU HG2 . 19915 1 445 . 1 1 50 50 GLU HG3 H 1 2.114 0.000 . . . . . A 50 GLU HG3 . 19915 1 446 . 1 1 50 50 GLU CA C 13 60.980 0.091 . . . . . A 50 GLU CA . 19915 1 447 . 1 1 50 50 GLU CB C 13 31.200 0.086 . . . . . A 50 GLU CB . 19915 1 448 . 1 1 50 50 GLU CG C 13 32.642 0.000 . . . . . A 50 GLU CG . 19915 1 449 . 1 1 50 50 GLU N N 15 110.733 0.048 . . . . . A 50 GLU N . 19915 1 450 . 1 1 51 51 VAL H H 1 8.694 0.005 . . . . . A 51 VAL H . 19915 1 451 . 1 1 51 51 VAL HA H 1 4.698 0.002 . . . . . A 51 VAL HA . 19915 1 452 . 1 1 51 51 VAL HB H 1 1.789 0.001 . . . . . A 51 VAL HB . 19915 1 453 . 1 1 51 51 VAL HG21 H 1 0.957 0.000 . . . . . A 51 VAL HG21 . 19915 1 454 . 1 1 51 51 VAL HG22 H 1 0.957 0.000 . . . . . A 51 VAL HG22 . 19915 1 455 . 1 1 51 51 VAL HG23 H 1 1.121 0.000 . . . . . A 51 VAL HG23 . 19915 1 456 . 1 1 51 51 VAL CA C 13 62.093 0.109 . . . . . A 51 VAL CA . 19915 1 457 . 1 1 51 51 VAL CB C 13 39.642 0.026 . . . . . A 51 VAL CB . 19915 1 458 . 1 1 51 51 VAL N N 15 121.323 0.078 . . . . . A 51 VAL N . 19915 1 459 . 1 1 52 52 GLU H H 1 9.189 0.005 . . . . . A 52 GLU H . 19915 1 460 . 1 1 52 52 GLU HA H 1 4.678 0.000 . . . . . A 52 GLU HA . 19915 1 461 . 1 1 52 52 GLU HB2 H 1 2.034 0.002 . . . . . A 52 GLU HB2 . 19915 1 462 . 1 1 52 52 GLU HB3 H 1 1.761 0.001 . . . . . A 52 GLU HB3 . 19915 1 463 . 1 1 52 52 GLU HG2 H 1 2.162 0.000 . . . . . A 52 GLU HG2 . 19915 1 464 . 1 1 52 52 GLU HG3 H 1 2.162 0.000 . . . . . A 52 GLU HG3 . 19915 1 465 . 1 1 52 52 GLU CA C 13 54.882 0.123 . . . . . A 52 GLU CA . 19915 1 466 . 1 1 52 52 GLU CB C 13 32.361 0.023 . . . . . A 52 GLU CB . 19915 1 467 . 1 1 52 52 GLU N N 15 127.810 0.036 . . . . . A 52 GLU N . 19915 1 468 . 1 1 54 54 GLY H H 1 9.310 0.000 . . . . . A 54 GLY H . 19915 1 469 . 1 1 54 54 GLY HA2 H 1 4.680 0.000 . . . . . A 54 GLY HA2 . 19915 1 470 . 1 1 54 54 GLY HA3 H 1 4.752 0.000 . . . . . A 54 GLY HA3 . 19915 1 471 . 1 1 55 55 ARG H H 1 8.772 0.005 . . . . . A 55 ARG H . 19915 1 472 . 1 1 55 55 ARG HA H 1 4.520 0.002 . . . . . A 55 ARG HA . 19915 1 473 . 1 1 55 55 ARG HB2 H 1 1.777 0.008 . . . . . A 55 ARG HB2 . 19915 1 474 . 1 1 55 55 ARG HB3 H 1 1.853 0.002 . . . . . A 55 ARG HB3 . 19915 1 475 . 1 1 55 55 ARG HG2 H 1 2.016 0.000 . . . . . A 55 ARG HG2 . 19915 1 476 . 1 1 55 55 ARG HG3 H 1 1.756 0.000 . . . . . A 55 ARG HG3 . 19915 1 477 . 1 1 55 55 ARG HD2 H 1 3.845 0.000 . . . . . A 55 ARG HD2 . 19915 1 478 . 1 1 55 55 ARG HD3 H 1 3.845 0.000 . . . . . A 55 ARG HD3 . 19915 1 479 . 1 1 55 55 ARG CA C 13 58.981 0.077 . . . . . A 55 ARG CA . 19915 1 480 . 1 1 55 55 ARG CB C 13 34.244 0.043 . . . . . A 55 ARG CB . 19915 1 481 . 1 1 55 55 ARG N N 15 118.520 0.012 . . . . . A 55 ARG N . 19915 1 482 . 1 1 56 56 GLY H H 1 7.742 0.002 . . . . . A 56 GLY H . 19915 1 483 . 1 1 56 56 GLY HA2 H 1 4.435 0.002 . . . . . A 56 GLY HA2 . 19915 1 484 . 1 1 56 56 GLY HA3 H 1 4.014 0.003 . . . . . A 56 GLY HA3 . 19915 1 485 . 1 1 56 56 GLY CA C 13 45.291 0.039 . . . . . A 56 GLY CA . 19915 1 486 . 1 1 56 56 GLY N N 15 112.512 0.019 . . . . . A 56 GLY N . 19915 1 487 . 1 1 57 57 GLY H H 1 8.634 0.001 . . . . . A 57 GLY H . 19915 1 488 . 1 1 57 57 GLY HA2 H 1 4.051 0.002 . . . . . A 57 GLY HA2 . 19915 1 489 . 1 1 57 57 GLY HA3 H 1 4.771 0.000 . . . . . A 57 GLY HA3 . 19915 1 490 . 1 1 57 57 GLY CA C 13 45.523 0.083 . . . . . A 57 GLY CA . 19915 1 491 . 1 1 57 57 GLY N N 15 123.924 0.033 . . . . . A 57 GLY N . 19915 1 492 . 1 1 58 58 LYS H H 1 8.417 0.007 . . . . . A 58 LYS H . 19915 1 493 . 1 1 58 58 LYS HA H 1 4.338 0.005 . . . . . A 58 LYS HA . 19915 1 494 . 1 1 58 58 LYS HB2 H 1 1.706 0.010 . . . . . A 58 LYS HB2 . 19915 1 495 . 1 1 58 58 LYS HB3 H 1 1.090 0.003 . . . . . A 58 LYS HB3 . 19915 1 496 . 1 1 58 58 LYS HG2 H 1 1.117 0.009 . . . . . A 58 LYS HG2 . 19915 1 497 . 1 1 58 58 LYS HD2 H 1 1.363 0.006 . . . . . A 58 LYS HD2 . 19915 1 498 . 1 1 58 58 LYS HD3 H 1 1.293 0.018 . . . . . A 58 LYS HD3 . 19915 1 499 . 1 1 58 58 LYS HE2 H 1 2.756 0.007 . . . . . A 58 LYS HE2 . 19915 1 500 . 1 1 58 58 LYS HE3 H 1 2.756 0.007 . . . . . A 58 LYS HE3 . 19915 1 501 . 1 1 58 58 LYS CA C 13 56.073 0.067 . . . . . A 58 LYS CA . 19915 1 502 . 1 1 58 58 LYS CB C 13 32.932 0.079 . . . . . A 58 LYS CB . 19915 1 503 . 1 1 58 58 LYS CG C 13 25.374 0.024 . . . . . A 58 LYS CG . 19915 1 504 . 1 1 58 58 LYS CD C 13 29.230 0.094 . . . . . A 58 LYS CD . 19915 1 505 . 1 1 58 58 LYS CE C 13 42.019 0.041 . . . . . A 58 LYS CE . 19915 1 506 . 1 1 58 58 LYS N N 15 115.021 0.035 . . . . . A 58 LYS N . 19915 1 507 . 1 1 59 59 GLY H H 1 7.423 0.003 . . . . . A 59 GLY H . 19915 1 508 . 1 1 59 59 GLY HA2 H 1 3.824 0.001 . . . . . A 59 GLY HA2 . 19915 1 509 . 1 1 59 59 GLY HA3 H 1 4.675 0.000 . . . . . A 59 GLY HA3 . 19915 1 510 . 1 1 59 59 GLY CA C 13 45.092 0.042 . . . . . A 59 GLY CA . 19915 1 511 . 1 1 59 59 GLY N N 15 108.720 0.042 . . . . . A 59 GLY N . 19915 1 512 . 1 1 60 60 PRO HA H 1 4.871 0.006 . . . . . A 60 PRO HA . 19915 1 513 . 1 1 60 60 PRO HB2 H 1 2.336 0.001 . . . . . A 60 PRO HB2 . 19915 1 514 . 1 1 60 60 PRO HB3 H 1 1.952 0.004 . . . . . A 60 PRO HB3 . 19915 1 515 . 1 1 60 60 PRO HG2 H 1 2.328 0.001 . . . . . A 60 PRO HG2 . 19915 1 516 . 1 1 60 60 PRO HG3 H 1 2.053 0.001 . . . . . A 60 PRO HG3 . 19915 1 517 . 1 1 60 60 PRO HD2 H 1 3.841 0.006 . . . . . A 60 PRO HD2 . 19915 1 518 . 1 1 60 60 PRO HD3 H 1 3.684 0.003 . . . . . A 60 PRO HD3 . 19915 1 519 . 1 1 60 60 PRO CA C 13 63.188 0.032 . . . . . A 60 PRO CA . 19915 1 520 . 1 1 60 60 PRO CB C 13 32.890 0.061 . . . . . A 60 PRO CB . 19915 1 521 . 1 1 60 60 PRO CG C 13 27.376 0.054 . . . . . A 60 PRO CG . 19915 1 522 . 1 1 60 60 PRO CD C 13 49.622 0.025 . . . . . A 60 PRO CD . 19915 1 523 . 1 1 61 61 GLN H H 1 8.794 0.003 . . . . . A 61 GLN H . 19915 1 524 . 1 1 61 61 GLN HA H 1 5.180 0.005 . . . . . A 61 GLN HA . 19915 1 525 . 1 1 61 61 GLN HB3 H 1 1.479 0.000 . . . . . A 61 GLN HB3 . 19915 1 526 . 1 1 61 61 GLN HE21 H 1 7.402 0.000 . . . . . A 61 GLN HE21 . 19915 1 527 . 1 1 61 61 GLN HE22 H 1 6.855 0.000 . . . . . A 61 GLN HE22 . 19915 1 528 . 1 1 61 61 GLN CA C 13 51.872 0.032 . . . . . A 61 GLN CA . 19915 1 529 . 1 1 61 61 GLN CB C 13 23.253 0.053 . . . . . A 61 GLN CB . 19915 1 530 . 1 1 61 61 GLN N N 15 125.701 0.039 . . . . . A 61 GLN N . 19915 1 531 . 1 1 61 61 GLN NE2 N 15 110.687 0.001 . . . . . A 61 GLN NE2 . 19915 1 532 . 1 1 62 62 ALA H H 1 8.898 0.006 . . . . . A 62 ALA H . 19915 1 533 . 1 1 62 62 ALA HA H 1 5.049 0.003 . . . . . A 62 ALA HA . 19915 1 534 . 1 1 62 62 ALA HB1 H 1 0.862 0.000 . . . . . A 62 ALA HB1 . 19915 1 535 . 1 1 62 62 ALA HB2 H 1 0.862 0.000 . . . . . A 62 ALA HB2 . 19915 1 536 . 1 1 62 62 ALA HB3 H 1 0.862 0.000 . . . . . A 62 ALA HB3 . 19915 1 537 . 1 1 62 62 ALA CA C 13 51.941 0.087 . . . . . A 62 ALA CA . 19915 1 538 . 1 1 62 62 ALA CB C 13 20.920 0.050 . . . . . A 62 ALA CB . 19915 1 539 . 1 1 62 62 ALA N N 15 122.421 0.025 . . . . . A 62 ALA N . 19915 1 540 . 1 1 63 63 LYS H H 1 9.279 0.022 . . . . . A 63 LYS H . 19915 1 541 . 1 1 63 63 LYS HA H 1 4.612 0.002 . . . . . A 63 LYS HA . 19915 1 542 . 1 1 63 63 LYS HB2 H 1 2.119 0.000 . . . . . A 63 LYS HB2 . 19915 1 543 . 1 1 63 63 LYS HB3 H 1 2.119 0.000 . . . . . A 63 LYS HB3 . 19915 1 544 . 1 1 63 63 LYS HG2 H 1 1.524 0.000 . . . . . A 63 LYS HG2 . 19915 1 545 . 1 1 63 63 LYS HG3 H 1 1.383 0.000 . . . . . A 63 LYS HG3 . 19915 1 546 . 1 1 63 63 LYS HD2 H 1 1.118 0.000 . . . . . A 63 LYS HD2 . 19915 1 547 . 1 1 63 63 LYS HD3 H 1 1.118 0.000 . . . . . A 63 LYS HD3 . 19915 1 548 . 1 1 63 63 LYS HE2 H 1 3.540 0.000 . . . . . A 63 LYS HE2 . 19915 1 549 . 1 1 63 63 LYS HE3 H 1 3.540 0.000 . . . . . A 63 LYS HE3 . 19915 1 550 . 1 1 63 63 LYS CA C 13 54.221 0.008 . . . . . A 63 LYS CA . 19915 1 551 . 1 1 63 63 LYS N N 15 109.000 0.021 . . . . . A 63 LYS N . 19915 1 552 . 1 1 64 64 LYS H H 1 9.248 0.003 . . . . . A 64 LYS H . 19915 1 553 . 1 1 64 64 LYS HA H 1 4.129 0.005 . . . . . A 64 LYS HA . 19915 1 554 . 1 1 64 64 LYS HB2 H 1 2.766 0.003 . . . . . A 64 LYS HB2 . 19915 1 555 . 1 1 64 64 LYS HB3 H 1 2.237 0.000 . . . . . A 64 LYS HB3 . 19915 1 556 . 1 1 64 64 LYS HG3 H 1 1.530 0.000 . . . . . A 64 LYS HG3 . 19915 1 557 . 1 1 64 64 LYS HE2 H 1 3.532 0.000 . . . . . A 64 LYS HE2 . 19915 1 558 . 1 1 64 64 LYS HE3 H 1 3.532 0.000 . . . . . A 64 LYS HE3 . 19915 1 559 . 1 1 64 64 LYS CA C 13 55.271 0.077 . . . . . A 64 LYS CA . 19915 1 560 . 1 1 64 64 LYS CB C 13 38.800 0.031 . . . . . A 64 LYS CB . 19915 1 561 . 1 1 64 64 LYS N N 15 116.512 0.019 . . . . . A 64 LYS N . 19915 1 562 . 1 1 65 65 VAL H H 1 8.162 0.006 . . . . . A 65 VAL H . 19915 1 563 . 1 1 65 65 VAL HA H 1 4.648 0.004 . . . . . A 65 VAL HA . 19915 1 564 . 1 1 65 65 VAL HB H 1 1.717 0.005 . . . . . A 65 VAL HB . 19915 1 565 . 1 1 65 65 VAL HG21 H 1 0.588 0.004 . . . . . A 65 VAL HG21 . 19915 1 566 . 1 1 65 65 VAL HG22 H 1 0.588 0.004 . . . . . A 65 VAL HG22 . 19915 1 567 . 1 1 65 65 VAL HG23 H 1 0.637 0.002 . . . . . A 65 VAL HG23 . 19915 1 568 . 1 1 65 65 VAL CA C 13 64.231 0.036 . . . . . A 65 VAL CA . 19915 1 569 . 1 1 65 65 VAL CB C 13 32.272 0.045 . . . . . A 65 VAL CB . 19915 1 570 . 1 1 65 65 VAL CG1 C 13 22.561 0.111 . . . . . A 65 VAL CG1 . 19915 1 571 . 1 1 65 65 VAL CG2 C 13 21.652 0.078 . . . . . A 65 VAL CG2 . 19915 1 572 . 1 1 65 65 VAL N N 15 118.120 0.021 . . . . . A 65 VAL N . 19915 1 573 . 1 1 66 66 ARG H H 1 9.023 0.002 . . . . . A 66 ARG H . 19915 1 574 . 1 1 66 66 ARG HA H 1 4.763 0.001 . . . . . A 66 ARG HA . 19915 1 575 . 1 1 66 66 ARG HB2 H 1 2.150 0.002 . . . . . A 66 ARG HB2 . 19915 1 576 . 1 1 66 66 ARG HG3 H 1 1.117 0.002 . . . . . A 66 ARG HG3 . 19915 1 577 . 1 1 66 66 ARG CA C 13 60.393 0.030 . . . . . A 66 ARG CA . 19915 1 578 . 1 1 66 66 ARG CB C 13 32.512 0.068 . . . . . A 66 ARG CB . 19915 1 579 . 1 1 66 66 ARG CG C 13 21.564 0.041 . . . . . A 66 ARG CG . 19915 1 580 . 1 1 66 66 ARG N N 15 120.932 0.021 . . . . . A 66 ARG N . 19915 1 581 . 1 1 67 67 ARG H H 1 8.798 0.005 . . . . . A 67 ARG H . 19915 1 582 . 1 1 67 67 ARG HA H 1 4.627 0.003 . . . . . A 67 ARG HA . 19915 1 583 . 1 1 67 67 ARG HB2 H 1 1.815 0.005 . . . . . A 67 ARG HB2 . 19915 1 584 . 1 1 67 67 ARG CA C 13 60.391 0.058 . . . . . A 67 ARG CA . 19915 1 585 . 1 1 67 67 ARG CB C 13 34.533 0.076 . . . . . A 67 ARG CB . 19915 1 586 . 1 1 67 67 ARG N N 15 119.710 0.016 . . . . . A 67 ARG N . 19915 1 587 . 1 1 68 68 ILE H H 1 7.986 0.002 . . . . . A 68 ILE H . 19915 1 588 . 1 1 68 68 ILE HA H 1 4.251 0.006 . . . . . A 68 ILE HA . 19915 1 589 . 1 1 68 68 ILE HB H 1 1.573 0.004 . . . . . A 68 ILE HB . 19915 1 590 . 1 1 68 68 ILE HG12 H 1 1.505 0.006 . . . . . A 68 ILE HG12 . 19915 1 591 . 1 1 68 68 ILE HG13 H 1 0.855 0.006 . . . . . A 68 ILE HG13 . 19915 1 592 . 1 1 68 68 ILE HG21 H 1 1.349 0.005 . . . . . A 68 ILE HG21 . 19915 1 593 . 1 1 68 68 ILE HG22 H 1 1.349 0.005 . . . . . A 68 ILE HG22 . 19915 1 594 . 1 1 68 68 ILE HG23 H 1 1.349 0.005 . . . . . A 68 ILE HG23 . 19915 1 595 . 1 1 68 68 ILE HD11 H 1 0.563 0.000 . . . . . A 68 ILE HD11 . 19915 1 596 . 1 1 68 68 ILE HD12 H 1 0.563 0.000 . . . . . A 68 ILE HD12 . 19915 1 597 . 1 1 68 68 ILE HD13 H 1 0.563 0.000 . . . . . A 68 ILE HD13 . 19915 1 598 . 1 1 68 68 ILE CA C 13 57.251 0.038 . . . . . A 68 ILE CA . 19915 1 599 . 1 1 68 68 ILE CB C 13 44.190 0.072 . . . . . A 68 ILE CB . 19915 1 600 . 1 1 68 68 ILE CG1 C 13 27.426 0.060 . . . . . A 68 ILE CG1 . 19915 1 601 . 1 1 68 68 ILE N N 15 131.434 0.024 . . . . . A 68 ILE N . 19915 1 stop_ save_