data_16293 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16293 _Entry.Title ; Solution structure of CA150 FF1 domain and FF1-FF2 interdomain linker ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-08 _Entry.Accession_date 2009-05-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 James Murphy . M. . 16293 2 'D. Flemming' Hansen . . . 16293 3 Silke Wiesner . . . 16293 4 'D. Ranjith' Muhandiram . . . 16293 5 Mikael Borg . . . 16293 6 Matthew Smith . J. . 16293 7 Frank Sicheri . . . 16293 8 Lewis Kay . E. . 16293 9 Julie Forman-Kay . D. . 16293 10 Tony Pawson . . . 16293 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 . 'not applicable' 'not applicable' . 16293 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'extended helix' . 16293 'FF domain' . 16293 'interdomain dynamics' . 16293 'interdomain helix' . 16293 'linker peptide' . 16293 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 16293 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 251 16293 '15N chemical shifts' 78 16293 '1H chemical shifts' 941 16293 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 . . 2009-11-13 2009-05-08 update BMRB 'complete entry citation' 16293 1 . . 2009-09-04 2009-05-08 original author 'original release' 16293 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KIS 'BMRB Entry Tracking System' 16293 stop_ save_ ############### # Citations # ############### save_reference_1 _Citation.Sf_category citations _Citation.Sf_framecode reference_1 _Citation.Entry_ID 16293 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19715701 _Citation.Full_citation . _Citation.Title 'Structural studies of FF domains of the transcription factor CA150 provide insights into the organization of FF domain tandem arrays.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 393 _Citation.Journal_issue 2 _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 409 _Citation.Page_last 424 _Citation.Year 2009 _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 James Murphy . M. . 16293 1 2 'D. Flemming' Hansen . . . 16293 1 3 Silke Wiesner . . . 16293 1 4 'D. Ranjith' Muhandiram . . . 16293 1 5 Mikael Borg . . . 16293 1 6 Matthew Smith . J. . 16293 1 7 Frank Sicheri . . . 16293 1 8 Lewis Kay . E. . 16293 1 9 Julie Forman-Kay . D. . 16293 1 10 Tony Pawson . . . 16293 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16293 _Assembly.ID 1 _Assembly.Name 'CA150 FF1+linker' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 8559.9 _Assembly.Enzyme_commission_number . _Assembly.Details 'FF1 from CA150 fused to the naturally occurring peptide linker which joins it to FF2 domain' _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 'CA150 FF1+linker' 1 $CA150_FF1+linker A . yes native no no . . . 16293 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA binding' 16293 1 'RNA polymerase II' 16293 1 scaffold 16293 1 'splicing machinery' 16293 1 'Transcription factor' 16293 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CA150_FF1+linker _Entity.Sf_category entity _Entity.Sf_framecode CA150_FF1+linker _Entity.Entry_ID 16293 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CA150_FF1+linker _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 ; GAMGSLEARMKQFKDMLLER GVSAFSTWEKELHKIVFDPR YLLLNPKERKQVFDQYVKTR AEEERREKKNK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'First 5 residues, GAMGS, arise from a cloning artifact. Remainder corresponds to residues 618-683 of murine CA150' _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'CA150; TCERG-1' _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 2KIS . "Solution Structure Of Ca150 Ff1 Domain And Ff1-Ff2 Interdomain Linker" . . . . . 100.00 71 100.00 100.00 5.57e-43 . . . . 16293 1 2 no GB EDL10032 . "mCG127945, isoform CRA_d [Mus musculus]" . . . . . 70.42 444 100.00 100.00 9.61e-25 . . . . 16293 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'nucleic acid binding' 16293 1 'protein interactions' 16293 1 'RNA polymerase II CTD interaction' 16293 1 'splicing factor' 16293 1 'Transcription factor' 16293 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 1 613 GLY . 16293 1 2 614 ALA . 16293 1 3 615 MET . 16293 1 4 616 GLY . 16293 1 5 617 SER . 16293 1 6 618 LEU . 16293 1 7 619 GLU . 16293 1 8 620 ALA . 16293 1 9 621 ARG . 16293 1 10 622 MET . 16293 1 11 623 LYS . 16293 1 12 624 GLN . 16293 1 13 625 PHE . 16293 1 14 626 LYS . 16293 1 15 627 ASP . 16293 1 16 628 MET . 16293 1 17 629 LEU . 16293 1 18 630 LEU . 16293 1 19 631 GLU . 16293 1 20 632 ARG . 16293 1 21 633 GLY . 16293 1 22 634 VAL . 16293 1 23 635 SER . 16293 1 24 636 ALA . 16293 1 25 637 PHE . 16293 1 26 638 SER . 16293 1 27 639 THR . 16293 1 28 640 TRP . 16293 1 29 641 GLU . 16293 1 30 642 LYS . 16293 1 31 643 GLU . 16293 1 32 644 LEU . 16293 1 33 645 HIS . 16293 1 34 646 LYS . 16293 1 35 647 ILE . 16293 1 36 648 VAL . 16293 1 37 649 PHE . 16293 1 38 650 ASP . 16293 1 39 651 PRO . 16293 1 40 652 ARG . 16293 1 41 653 TYR . 16293 1 42 654 LEU . 16293 1 43 655 LEU . 16293 1 44 656 LEU . 16293 1 45 657 ASN . 16293 1 46 658 PRO . 16293 1 47 659 LYS . 16293 1 48 660 GLU . 16293 1 49 661 ARG . 16293 1 50 662 LYS . 16293 1 51 663 GLN . 16293 1 52 664 VAL . 16293 1 53 665 PHE . 16293 1 54 666 ASP . 16293 1 55 667 GLN . 16293 1 56 668 TYR . 16293 1 57 669 VAL . 16293 1 58 670 LYS . 16293 1 59 671 THR . 16293 1 60 672 ARG . 16293 1 61 673 ALA . 16293 1 62 674 GLU . 16293 1 63 675 GLU . 16293 1 64 676 GLU . 16293 1 65 677 ARG . 16293 1 66 678 ARG . 16293 1 67 679 GLU . 16293 1 68 680 LYS . 16293 1 69 681 LYS . 16293 1 70 682 ASN . 16293 1 71 683 LYS . 16293 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 . GLY 1 1 16293 1 . ALA 2 2 16293 1 . MET 3 3 16293 1 . GLY 4 4 16293 1 . SER 5 5 16293 1 . LEU 6 6 16293 1 . GLU 7 7 16293 1 . ALA 8 8 16293 1 . ARG 9 9 16293 1 . MET 10 10 16293 1 . LYS 11 11 16293 1 . GLN 12 12 16293 1 . PHE 13 13 16293 1 . LYS 14 14 16293 1 . ASP 15 15 16293 1 . MET 16 16 16293 1 . LEU 17 17 16293 1 . LEU 18 18 16293 1 . GLU 19 19 16293 1 . ARG 20 20 16293 1 . GLY 21 21 16293 1 . VAL 22 22 16293 1 . SER 23 23 16293 1 . ALA 24 24 16293 1 . PHE 25 25 16293 1 . SER 26 26 16293 1 . THR 27 27 16293 1 . TRP 28 28 16293 1 . GLU 29 29 16293 1 . LYS 30 30 16293 1 . GLU 31 31 16293 1 . LEU 32 32 16293 1 . HIS 33 33 16293 1 . LYS 34 34 16293 1 . ILE 35 35 16293 1 . VAL 36 36 16293 1 . PHE 37 37 16293 1 . ASP 38 38 16293 1 . PRO 39 39 16293 1 . ARG 40 40 16293 1 . TYR 41 41 16293 1 . LEU 42 42 16293 1 . LEU 43 43 16293 1 . LEU 44 44 16293 1 . ASN 45 45 16293 1 . PRO 46 46 16293 1 . LYS 47 47 16293 1 . GLU 48 48 16293 1 . ARG 49 49 16293 1 . LYS 50 50 16293 1 . GLN 51 51 16293 1 . VAL 52 52 16293 1 . PHE 53 53 16293 1 . ASP 54 54 16293 1 . GLN 55 55 16293 1 . TYR 56 56 16293 1 . VAL 57 57 16293 1 . LYS 58 58 16293 1 . THR 59 59 16293 1 . ARG 60 60 16293 1 . ALA 61 61 16293 1 . GLU 62 62 16293 1 . GLU 63 63 16293 1 . GLU 64 64 16293 1 . ARG 65 65 16293 1 . ARG 66 66 16293 1 . GLU 67 67 16293 1 . LYS 68 68 16293 1 . LYS 69 69 16293 1 . ASN 70 70 16293 1 . LYS 71 71 16293 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 16293 _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 $CA150_FF1+linker . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . 'TCERG-1; CA150' . . . . 16293 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 16293 _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 $CA150_FF1+linker . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . 'pProEX Htb' . . . 'N-terminal 6xHis tag cleaved using TEV protease' . . 16293 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16293 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '3D data collected for protein at 1-1.7mM in PBS pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 CA150_FF1+linker '[U-99% 13C; U-99% 15N]' . . 1 $CA150_FF1+linker . . . 1.0 1.7 mM . . . . 16293 1 2 H20 'natural abundance' . . . . . . 95 . . % . . . . 16293 1 3 D20 'natural abundance' . . . . . . 5 . . % . . . . 16293 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 16293 _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' 0.137 . M 16293 1 pH 6.5 . pH 16293 1 pressure 1.0 . atm 16293 1 temperature 285 . K 16293 1 stop_ save_ ############################ # Computer software used # ############################ save_Aria _Software.Sf_category software _Software.Sf_framecode Aria _Software.Entry_ID 16293 _Software.ID 1 _Software.Name ARIA _Software.Version 1.1 _Software.Details ; ARIA 1.1 is using CNS 1.1. M. Nilges and S.I. O'Donoghue. Ambiguous NOEs and automated NOE assignment. Prog.NMR spectr. 32:107-139, 1998. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Dr. Michael Nilges, Institut Pasteur' ; Unite de Bioinformatique Structurale, Institut Pasteur, 25-28 rue du Dr Roux, 75015 Paris, France ; nilges@pasteur.fr 16293 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Automated NOE assignment' 16293 1 'NMR structure calculation' 16293 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 16293 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16293 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 16293 _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 INOVA . 500 . . . 16293 1 2 spectrometer_2 Varian INOVA . 500 . . . 16293 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 16293 _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 CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16293 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16293 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16293 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16293 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16293 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 16293 _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 0.00 . indirect 0.251449530 . . . . . . . . . 16293 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 . indirect 1.0 . . . . . . . . . 16293 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16293 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_C _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_C _Assigned_chem_shift_list.Entry_ID 16293 _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 'Derived from the file: /tmp_disk/scratch4/silke/ff1lnk/run3/data/13C/13C.ppm' _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 CBCA(CO)NH' . . . 16293 1 2 '3D HNCACB' . . . 16293 1 4 '3D 1H-13C NOESY' . . . 16293 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Aria . . 16293 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 ALA H H 1 8.56 0.0 . 1 . . . . 614 ALA H . 16293 1 2 . 1 1 2 2 ALA HA H 1 4.296 0.0 . 1 . . . . 614 ALA HA . 16293 1 3 . 1 1 2 2 ALA HB1 H 1 1.324 0.0 . 1 . . . . 614 ALA HB . 16293 1 4 . 1 1 2 2 ALA HB2 H 1 1.324 0.0 . 1 . . . . 614 ALA HB . 16293 1 5 . 1 1 2 2 ALA HB3 H 1 1.324 0.0 . 1 . . . . 614 ALA HB . 16293 1 6 . 1 1 2 2 ALA CA C 13 52.718 0.0 . 1 . . . . 614 ALA CA . 16293 1 7 . 1 1 2 2 ALA CB C 13 19.861 0.0 . 1 . . . . 614 ALA CB . 16293 1 8 . 1 1 3 3 MET H H 1 8.554 0.0 . 1 . . . . 615 MET H . 16293 1 9 . 1 1 3 3 MET HA H 1 4.397 0.0 . 1 . . . . 615 MET HA . 16293 1 10 . 1 1 3 3 MET HB2 H 1 2.572 0.0 . 2 . . . . 615 MET HB2 . 16293 1 11 . 1 1 3 3 MET HB3 H 1 2.503 0.0 . 2 . . . . 615 MET HB3 . 16293 1 12 . 1 1 3 3 MET HG2 H 1 2.0 0.0 . 1 . . . . 615 MET HG2 . 16293 1 13 . 1 1 3 3 MET CA C 13 55.892 0.0 . 1 . . . . 615 MET CA . 16293 1 14 . 1 1 3 3 MET CB C 13 32.332 0.0 . 1 . . . . 615 MET CB . 16293 1 15 . 1 1 3 3 MET CG C 13 33.266 0.0 . 1 . . . . 615 MET CG . 16293 1 16 . 1 1 4 4 GLY H H 1 8.503 0.0 . 1 . . . . 616 GLY H . 16293 1 17 . 1 1 4 4 GLY HA2 H 1 3.957 0.0 . 2 . . . . 616 GLY HA1 . 16293 1 18 . 1 1 4 4 GLY CA C 13 45.064 0.0 . 1 . . . . 616 GLY CA . 16293 1 19 . 1 1 5 5 SER H H 1 8.468 0.0 . 1 . . . . 617 SER H . 16293 1 20 . 1 1 5 5 SER HA H 1 4.354 0.0 . 1 . . . . 617 SER HA . 16293 1 21 . 1 1 5 5 SER HB2 H 1 4.243 0.0 . 2 . . . . 617 SER HB2 . 16293 1 22 . 1 1 5 5 SER HB3 H 1 3.995 0.0 . 2 . . . . 617 SER HB3 . 16293 1 23 . 1 1 5 5 SER CA C 13 58.505 0.0 . 1 . . . . 617 SER CA . 16293 1 24 . 1 1 5 5 SER CB C 13 64.666 0.0 . 1 . . . . 617 SER CB . 16293 1 25 . 1 1 6 6 LEU H H 1 8.773 0.0 . 1 . . . . 618 LEU H . 16293 1 26 . 1 1 6 6 LEU HA H 1 3.939 0.0 . 1 . . . . 618 LEU HA . 16293 1 27 . 1 1 6 6 LEU HB2 H 1 1.729 0.0 . 2 . . . . 618 LEU HB2 . 16293 1 28 . 1 1 6 6 LEU HB3 H 1 1.482 0.0 . 2 . . . . 618 LEU HB3 . 16293 1 29 . 1 1 6 6 LEU HD11 H 1 0.853 0.0 . 2 . . . . 618 LEU HD1 . 16293 1 30 . 1 1 6 6 LEU HD12 H 1 0.853 0.0 . 2 . . . . 618 LEU HD1 . 16293 1 31 . 1 1 6 6 LEU HD13 H 1 0.853 0.0 . 2 . . . . 618 LEU HD1 . 16293 1 32 . 1 1 6 6 LEU HD21 H 1 0.798 0.0 . 2 . . . . 618 LEU HD2 . 16293 1 33 . 1 1 6 6 LEU HD22 H 1 0.798 0.0 . 2 . . . . 618 LEU HD2 . 16293 1 34 . 1 1 6 6 LEU HD23 H 1 0.798 0.0 . 2 . . . . 618 LEU HD2 . 16293 1 35 . 1 1 6 6 LEU HG H 1 1.463 0.0 . 1 . . . . 618 LEU HG . 16293 1 36 . 1 1 6 6 LEU CA C 13 58.879 0.0 . 1 . . . . 618 LEU CA . 16293 1 37 . 1 1 6 6 LEU CB C 13 41.517 0.0 . 1 . . . . 618 LEU CB . 16293 1 38 . 1 1 6 6 LEU CD1 C 13 26.022 0.0 . 2 . . . . 618 LEU CD1 . 16293 1 39 . 1 1 6 6 LEU CD2 C 13 23.788 0.0 . 2 . . . . 618 LEU CD2 . 16293 1 40 . 1 1 6 6 LEU CG C 13 27.516 0.0 . 1 . . . . 618 LEU CG . 16293 1 41 . 1 1 7 7 GLU H H 1 8.7 0.0 . 1 . . . . 619 GLU H . 16293 1 42 . 1 1 7 7 GLU HA H 1 3.822 0.0 . 1 . . . . 619 GLU HA . 16293 1 43 . 1 1 7 7 GLU HB2 H 1 1.982 0.0 . 2 . . . . 619 GLU HB2 . 16293 1 44 . 1 1 7 7 GLU HB3 H 1 1.865 0.0 . 2 . . . . 619 GLU HB3 . 16293 1 45 . 1 1 7 7 GLU HG2 H 1 2.241 0.0 . 2 . . . . 619 GLU HG2 . 16293 1 46 . 1 1 7 7 GLU CA C 13 60.537 0.0 . 1 . . . . 619 GLU CA . 16293 1 47 . 1 1 7 7 GLU CB C 13 29.382 0.0 . 1 . . . . 619 GLU CB . 16293 1 48 . 1 1 7 7 GLU CG C 13 36.85 0.0 . 1 . . . . 619 GLU CG . 16293 1 49 . 1 1 8 8 ALA H H 1 7.936 0.0 . 1 . . . . 620 ALA H . 16293 1 50 . 1 1 8 8 ALA HA H 1 4.111 0.0 . 1 . . . . 620 ALA HA . 16293 1 51 . 1 1 8 8 ALA HB1 H 1 1.453 0.0 . 1 . . . . 620 ALA HB . 16293 1 52 . 1 1 8 8 ALA HB2 H 1 1.453 0.0 . 1 . . . . 620 ALA HB . 16293 1 53 . 1 1 8 8 ALA HB3 H 1 1.453 0.0 . 1 . . . . 620 ALA HB . 16293 1 54 . 1 1 8 8 ALA CA C 13 55.332 0.0 . 1 . . . . 620 ALA CA . 16293 1 55 . 1 1 8 8 ALA CB C 13 18.741 0.0 . 1 . . . . 620 ALA CB . 16293 1 56 . 1 1 9 9 ARG H H 1 8.378 0.0 . 1 . . . . 621 ARG H . 16293 1 57 . 1 1 9 9 ARG HA H 1 4.026 0.0 . 1 . . . . 621 ARG HA . 16293 1 58 . 1 1 9 9 ARG HB2 H 1 1.946 0.0 . 2 . . . . 621 ARG HB2 . 16293 1 59 . 1 1 9 9 ARG HB3 H 1 1.843 0.0 . 2 . . . . 621 ARG HB3 . 16293 1 60 . 1 1 9 9 ARG HD2 H 1 3.484 0.0 . 2 . . . . 621 ARG HD2 . 16293 1 61 . 1 1 9 9 ARG HD3 H 1 3.323 0.0 . 2 . . . . 621 ARG HD3 . 16293 1 62 . 1 1 9 9 ARG HE H 1 6.415 0.0 . 1 . . . . 621 ARG HE . 16293 1 63 . 1 1 9 9 ARG HG2 H 1 1.63 0.0 . 2 . . . . 621 ARG HG2 . 16293 1 64 . 1 1 9 9 ARG HG3 H 1 1.568 0.0 . 2 . . . . 621 ARG HG3 . 16293 1 65 . 1 1 9 9 ARG CA C 13 60.559 0.0 . 1 . . . . 621 ARG CA . 16293 1 66 . 1 1 9 9 ARG CB C 13 30.689 0.0 . 1 . . . . 621 ARG CB . 16293 1 67 . 1 1 9 9 ARG CD C 13 43.764 0.0 . 1 . . . . 621 ARG CD . 16293 1 68 . 1 1 9 9 ARG CG C 13 30.689 0.0 . 1 . . . . 621 ARG CG . 16293 1 69 . 1 1 10 10 MET H H 1 8.972 0.0 . 1 . . . . 622 MET H . 16293 1 70 . 1 1 10 10 MET HA H 1 3.938 0.0 . 1 . . . . 622 MET HA . 16293 1 71 . 1 1 10 10 MET HB2 H 1 2.109 0.0 . 2 . . . . 622 MET HB2 . 16293 1 72 . 1 1 10 10 MET HB3 H 1 1.95 0.0 . 2 . . . . 622 MET HB3 . 16293 1 73 . 1 1 10 10 MET HE1 H 1 1.925 0.0 . 1 . . . . 622 MET HE . 16293 1 74 . 1 1 10 10 MET HE2 H 1 1.925 0.0 . 1 . . . . 622 MET HE . 16293 1 75 . 1 1 10 10 MET HE3 H 1 1.925 0.0 . 1 . . . . 622 MET HE . 16293 1 76 . 1 1 10 10 MET HG2 H 1 2.846 0.0 . 2 . . . . 622 MET HG2 . 16293 1 77 . 1 1 10 10 MET HG3 H 1 1.98 0.0 . 2 . . . . 622 MET HG3 . 16293 1 78 . 1 1 10 10 MET CA C 13 60.746 0.0 . 1 . . . . 622 MET CA . 16293 1 79 . 1 1 10 10 MET CB C 13 33.293 0.0 . 1 . . . . 622 MET CB . 16293 1 80 . 1 1 10 10 MET CE C 13 17.819 0.0 . 1 . . . . 622 MET CE . 16293 1 81 . 1 1 10 10 MET CG C 13 34.236 0.0 . 1 . . . . 622 MET CG . 16293 1 82 . 1 1 11 11 LYS H H 1 7.762 0.0 . 1 . . . . 623 LYS H . 16293 1 83 . 1 1 11 11 LYS HA H 1 4.008 0.0 . 1 . . . . 623 LYS HA . 16293 1 84 . 1 1 11 11 LYS HB2 H 1 1.975 0.0 . 2 . . . . 623 LYS HB2 . 16293 1 85 . 1 1 11 11 LYS HD2 H 1 1.706 0.0 . 2 . . . . 623 LYS HD2 . 16293 1 86 . 1 1 11 11 LYS HD3 H 1 1.59 0.0 . 2 . . . . 623 LYS HD3 . 16293 1 87 . 1 1 11 11 LYS HE2 H 1 2.951 0.0 . 2 . . . . 623 LYS HE2 . 16293 1 88 . 1 1 11 11 LYS HG2 H 1 1.419 0.0 . 2 . . . . 623 LYS HG2 . 16293 1 89 . 1 1 11 11 LYS CA C 13 59.812 0.0 . 1 . . . . 623 LYS CA . 16293 1 90 . 1 1 11 11 LYS CB C 13 32.369 0.0 . 1 . . . . 623 LYS CB . 16293 1 91 . 1 1 11 11 LYS CD C 13 29.196 0.0 . 1 . . . . 623 LYS CD . 16293 1 92 . 1 1 11 11 LYS CE C 13 42.45 0.0 . 1 . . . . 623 LYS CE . 16293 1 93 . 1 1 11 11 LYS CG C 13 25.649 0.0 . 1 . . . . 623 LYS CG . 16293 1 94 . 1 1 12 12 GLN H H 1 7.82 0.0 . 1 . . . . 624 GLN H . 16293 1 95 . 1 1 12 12 GLN HA H 1 4.112 0.0 . 1 . . . . 624 GLN HA . 16293 1 96 . 1 1 12 12 GLN HB2 H 1 2.204 0.0 . 2 . . . . 624 GLN HB2 . 16293 1 97 . 1 1 12 12 GLN HB3 H 1 1.83 0.0 . 2 . . . . 624 GLN HB3 . 16293 1 98 . 1 1 12 12 GLN HE21 H 1 7.214 0.0 . 2 . . . . 624 GLN HE21 . 16293 1 99 . 1 1 12 12 GLN HE22 H 1 6.844 0.0 . 2 . . . . 624 GLN HE22 . 16293 1 100 . 1 1 12 12 GLN HG2 H 1 2.537 0.0 . 2 . . . . 624 GLN HG2 . 16293 1 101 . 1 1 12 12 GLN HG3 H 1 2.322 0.0 . 2 . . . . 624 GLN HG3 . 16293 1 102 . 1 1 12 12 GLN CA C 13 59.626 0.0 . 1 . . . . 624 GLN CA . 16293 1 103 . 1 1 12 12 GLN CB C 13 30.316 0.0 . 1 . . . . 624 GLN CB . 16293 1 104 . 1 1 12 12 GLN CG C 13 35.356 0.0 . 1 . . . . 624 GLN CG . 16293 1 105 . 1 1 13 13 PHE H H 1 8.269 0.0 . 1 . . . . 625 PHE H . 16293 1 106 . 1 1 13 13 PHE HA H 1 3.801 0.0 . 1 . . . . 625 PHE HA . 16293 1 107 . 1 1 13 13 PHE HB2 H 1 3.234 0.0 . 2 . . . . 625 PHE HB2 . 16293 1 108 . 1 1 13 13 PHE HB3 H 1 2.924 0.0 . 2 . . . . 625 PHE HB3 . 16293 1 109 . 1 1 13 13 PHE HD1 H 1 7.17 0.0 . 3 . . . . 625 PHE QD . 16293 1 110 . 1 1 13 13 PHE HD2 H 1 7.17 0.0 . 3 . . . . 625 PHE QD . 16293 1 111 . 1 1 13 13 PHE HE1 H 1 7.371 0.0 . 3 . . . . 625 PHE QE . 16293 1 112 . 1 1 13 13 PHE HE2 H 1 7.371 0.0 . 3 . . . . 625 PHE QE . 16293 1 113 . 1 1 13 13 PHE HZ H 1 7.256 0.0 . 1 . . . . 625 PHE HZ . 16293 1 114 . 1 1 13 13 PHE CA C 13 61.679 0.0 . 1 . . . . 625 PHE CA . 16293 1 115 . 1 1 13 13 PHE CB C 13 40.77 0.0 . 1 . . . . 625 PHE CB . 16293 1 116 . 1 1 13 13 PHE CD1 C 13 132.229 0.0 . 3 . . . . 625 PHE CD1 . 16293 1 117 . 1 1 13 13 PHE CE1 C 13 131.109 0.0 . 3 . . . . 625 PHE CE1 . 16293 1 118 . 1 1 13 13 PHE CZ C 13 127.748 0.0 . 1 . . . . 625 PHE CZ . 16293 1 119 . 1 1 14 14 LYS H H 1 8.514 0.0 . 1 . . . . 626 LYS H . 16293 1 120 . 1 1 14 14 LYS HA H 1 3.642 0.0 . 1 . . . . 626 LYS HA . 16293 1 121 . 1 1 14 14 LYS HB2 H 1 2.063 0.0 . 2 . . . . 626 LYS HB2 . 16293 1 122 . 1 1 14 14 LYS HB3 H 1 1.927 0.0 . 2 . . . . 626 LYS HB3 . 16293 1 123 . 1 1 14 14 LYS HD2 H 1 1.755 0.0 . 2 . . . . 626 LYS HD2 . 16293 1 124 . 1 1 14 14 LYS HE2 H 1 2.941 0.0 . 2 . . . . 626 LYS HE2 . 16293 1 125 . 1 1 14 14 LYS HG2 H 1 1.544 0.0 . 2 . . . . 626 LYS HG2 . 16293 1 126 . 1 1 14 14 LYS CA C 13 61.119 0.0 . 1 . . . . 626 LYS CA . 16293 1 127 . 1 1 14 14 LYS CB C 13 32.369 0.0 . 1 . . . . 626 LYS CB . 16293 1 128 . 1 1 14 14 LYS CD C 13 29.942 0.0 . 1 . . . . 626 LYS CD . 16293 1 129 . 1 1 14 14 LYS CE C 13 42.45 0.0 . 1 . . . . 626 LYS CE . 16293 1 130 . 1 1 14 14 LYS CG C 13 26.582 0.0 . 1 . . . . 626 LYS CG . 16293 1 131 . 1 1 15 15 ASP H H 1 8.586 0.0 . 1 . . . . 627 ASP H . 16293 1 132 . 1 1 15 15 ASP HA H 1 4.293 0.0 . 1 . . . . 627 ASP HA . 16293 1 133 . 1 1 15 15 ASP HB2 H 1 2.854 0.0 . 2 . . . . 627 ASP HB2 . 16293 1 134 . 1 1 15 15 ASP HB3 H 1 2.545 0.0 . 2 . . . . 627 ASP HB3 . 16293 1 135 . 1 1 15 15 ASP CA C 13 57.385 0.0 . 1 . . . . 627 ASP CA . 16293 1 136 . 1 1 15 15 ASP CB C 13 39.65 0.0 . 1 . . . . 627 ASP CB . 16293 1 137 . 1 1 16 16 MET H H 1 7.744 0.0 . 1 . . . . 628 MET H . 16293 1 138 . 1 1 16 16 MET HA H 1 3.647 0.0 . 1 . . . . 628 MET HA . 16293 1 139 . 1 1 16 16 MET HB2 H 1 2.363 0.0 . 2 . . . . 628 MET HB2 . 16293 1 140 . 1 1 16 16 MET HB3 H 1 1.524 0.0 . 2 . . . . 628 MET HB3 . 16293 1 141 . 1 1 16 16 MET HE1 H 1 1.034 0.0 . 1 . . . . 628 MET HE . 16293 1 142 . 1 1 16 16 MET HE2 H 1 1.034 0.0 . 1 . . . . 628 MET HE . 16293 1 143 . 1 1 16 16 MET HE3 H 1 1.034 0.0 . 1 . . . . 628 MET HE . 16293 1 144 . 1 1 16 16 MET HG2 H 1 2.317 0.0 . 2 . . . . 628 MET HG2 . 16293 1 145 . 1 1 16 16 MET HG3 H 1 1.806 0.0 . 2 . . . . 628 MET HG3 . 16293 1 146 . 1 1 16 16 MET CA C 13 59.626 0.0 . 1 . . . . 628 MET CA . 16293 1 147 . 1 1 16 16 MET CB C 13 31.05 0.0 . 1 . . . . 628 MET CB . 16293 1 148 . 1 1 16 16 MET CE C 13 17.446 0.0 . 1 . . . . 628 MET CE . 16293 1 149 . 1 1 16 16 MET CG C 13 31.623 0.0 . 1 . . . . 628 MET CG . 16293 1 150 . 1 1 17 17 LEU H H 1 7.522 0.0 . 1 . . . . 629 LEU H . 16293 1 151 . 1 1 17 17 LEU HA H 1 3.325 0.0 . 1 . . . . 629 LEU HA . 16293 1 152 . 1 1 17 17 LEU HB2 H 1 1.427 0.0 . 2 . . . . 629 LEU HB2 . 16293 1 153 . 1 1 17 17 LEU HD11 H 1 0.642 0.0 . 2 . . . . 629 LEU HD1 . 16293 1 154 . 1 1 17 17 LEU HD12 H 1 0.642 0.0 . 2 . . . . 629 LEU HD1 . 16293 1 155 . 1 1 17 17 LEU HD13 H 1 0.642 0.0 . 2 . . . . 629 LEU HD1 . 16293 1 156 . 1 1 17 17 LEU HD21 H 1 0.025 0.0 . 2 . . . . 629 LEU HD2 . 16293 1 157 . 1 1 17 17 LEU HD22 H 1 0.025 0.0 . 2 . . . . 629 LEU HD2 . 16293 1 158 . 1 1 17 17 LEU HD23 H 1 0.025 0.0 . 2 . . . . 629 LEU HD2 . 16293 1 159 . 1 1 17 17 LEU HG H 1 1.815 0.0 . 1 . . . . 629 LEU HG . 16293 1 160 . 1 1 17 17 LEU CA C 13 58.132 0.0 . 1 . . . . 629 LEU CA . 16293 1 161 . 1 1 17 17 LEU CB C 13 39.837 0.0 . 1 . . . . 629 LEU CB . 16293 1 162 . 1 1 17 17 LEU CD1 C 13 24.161 0.0 . 2 . . . . 629 LEU CD1 . 16293 1 163 . 1 1 17 17 LEU CD2 C 13 27.507 0.0 . 2 . . . . 629 LEU CD2 . 16293 1 164 . 1 1 17 17 LEU CG C 13 25.275 0.0 . 1 . . . . 629 LEU CG . 16293 1 165 . 1 1 18 18 LEU H H 1 6.961 0.0 . 1 . . . . 630 LEU H . 16293 1 166 . 1 1 18 18 LEU HA H 1 4.374 0.0 . 1 . . . . 630 LEU HA . 16293 1 167 . 1 1 18 18 LEU HB2 H 1 1.859 0.0 . 2 . . . . 630 LEU HB2 . 16293 1 168 . 1 1 18 18 LEU HD11 H 1 0.992 0.0 . 2 . . . . 630 LEU HD1 . 16293 1 169 . 1 1 18 18 LEU HD12 H 1 0.992 0.0 . 2 . . . . 630 LEU HD1 . 16293 1 170 . 1 1 18 18 LEU HD13 H 1 0.992 0.0 . 2 . . . . 630 LEU HD1 . 16293 1 171 . 1 1 18 18 LEU HD21 H 1 0.961 0.0 . 2 . . . . 630 LEU HD2 . 16293 1 172 . 1 1 18 18 LEU HD22 H 1 0.961 0.0 . 2 . . . . 630 LEU HD2 . 16293 1 173 . 1 1 18 18 LEU HD23 H 1 0.961 0.0 . 2 . . . . 630 LEU HD2 . 16293 1 174 . 1 1 18 18 LEU HG H 1 1.601 0.0 . 1 . . . . 630 LEU HG . 16293 1 175 . 1 1 18 18 LEU CA C 13 57.759 0.0 . 1 . . . . 630 LEU CA . 16293 1 176 . 1 1 18 18 LEU CB C 13 42.824 0.0 . 1 . . . . 630 LEU CB . 16293 1 177 . 1 1 18 18 LEU CD1 C 13 24.529 0.0 . 2 . . . . 630 LEU CD1 . 16293 1 178 . 1 1 18 18 LEU CD2 C 13 25.649 0.0 . 2 . . . . 630 LEU CD2 . 16293 1 179 . 1 1 18 18 LEU CG C 13 27.702 0.0 . 1 . . . . 630 LEU CG . 16293 1 180 . 1 1 19 19 GLU H H 1 8.539 0.0 . 1 . . . . 631 GLU H . 16293 1 181 . 1 1 19 19 GLU HA H 1 3.863 0.0 . 1 . . . . 631 GLU HA . 16293 1 182 . 1 1 19 19 GLU HB2 H 1 2.012 0.0 . 2 . . . . 631 GLU HB2 . 16293 1 183 . 1 1 19 19 GLU HB3 H 1 1.926 0.0 . 2 . . . . 631 GLU HB3 . 16293 1 184 . 1 1 19 19 GLU HG2 H 1 2.425 0.0 . 2 . . . . 631 GLU HG2 . 16293 1 185 . 1 1 19 19 GLU HG3 H 1 2.166 0.0 . 2 . . . . 631 GLU HG3 . 16293 1 186 . 1 1 19 19 GLU CA C 13 59.439 0.0 . 1 . . . . 631 GLU CA . 16293 1 187 . 1 1 19 19 GLU CB C 13 30.876 0.0 . 1 . . . . 631 GLU CB . 16293 1 188 . 1 1 19 19 GLU CG C 13 36.476 0.0 . 1 . . . . 631 GLU CG . 16293 1 189 . 1 1 20 20 ARG H H 1 8.38 0.0 . 1 . . . . 632 ARG H . 16293 1 190 . 1 1 20 20 ARG HA H 1 4.259 0.0 . 1 . . . . 632 ARG HA . 16293 1 191 . 1 1 20 20 ARG HB2 H 1 1.962 0.0 . 2 . . . . 632 ARG HB2 . 16293 1 192 . 1 1 20 20 ARG HB3 H 1 1.56 0.0 . 2 . . . . 632 ARG HB3 . 16293 1 193 . 1 1 20 20 ARG HD2 H 1 3.183 0.0 . 2 . . . . 632 ARG HD2 . 16293 1 194 . 1 1 20 20 ARG HE H 1 7.732 0.0 . 1 . . . . 632 ARG HE . 16293 1 195 . 1 1 20 20 ARG HG2 H 1 1.649 0.0 . 2 . . . . 632 ARG HG2 . 16293 1 196 . 1 1 20 20 ARG HG3 H 1 1.499 0.0 . 2 . . . . 632 ARG HG3 . 16293 1 197 . 1 1 20 20 ARG CA C 13 54.025 0.0 . 1 . . . . 632 ARG CA . 16293 1 198 . 1 1 20 20 ARG CB C 13 29.569 0.0 . 1 . . . . 632 ARG CB . 16293 1 199 . 1 1 20 20 ARG CD C 13 42.45 0.0 . 1 . . . . 632 ARG CD . 16293 1 200 . 1 1 20 20 ARG CG C 13 27.329 0.0 . 1 . . . . 632 ARG CG . 16293 1 201 . 1 1 21 21 GLY H H 1 7.683 0.0 . 1 . . . . 633 GLY H . 16293 1 202 . 1 1 21 21 GLY HA2 H 1 3.83 0.0 . 2 . . . . 633 GLY HA1 . 16293 1 203 . 1 1 21 21 GLY CA C 13 47.118 0.0 . 1 . . . . 633 GLY CA . 16293 1 204 . 1 1 22 22 VAL H H 1 8.098 0.0 . 1 . . . . 634 VAL H . 16293 1 205 . 1 1 22 22 VAL HA H 1 3.796 0.0 . 1 . . . . 634 VAL HA . 16293 1 206 . 1 1 22 22 VAL HB H 1 1.795 0.0 . 1 . . . . 634 VAL HB . 16293 1 207 . 1 1 22 22 VAL HG11 H 1 1.067 0.0 . 2 . . . . 634 VAL HG1 . 16293 1 208 . 1 1 22 22 VAL HG12 H 1 1.067 0.0 . 2 . . . . 634 VAL HG1 . 16293 1 209 . 1 1 22 22 VAL HG13 H 1 1.067 0.0 . 2 . . . . 634 VAL HG1 . 16293 1 210 . 1 1 22 22 VAL HG21 H 1 0.817 0.0 . 2 . . . . 634 VAL HG2 . 16293 1 211 . 1 1 22 22 VAL HG22 H 1 0.817 0.0 . 2 . . . . 634 VAL HG2 . 16293 1 212 . 1 1 22 22 VAL HG23 H 1 0.817 0.0 . 2 . . . . 634 VAL HG2 . 16293 1 213 . 1 1 22 22 VAL CA C 13 64.106 0.0 . 1 . . . . 634 VAL CA . 16293 1 214 . 1 1 22 22 VAL CB C 13 30.876 0.0 . 1 . . . . 634 VAL CB . 16293 1 215 . 1 1 22 22 VAL CG1 C 13 21.915 0.0 . 2 . . . . 634 VAL CG1 . 16293 1 216 . 1 1 22 22 VAL CG2 C 13 24.529 0.0 . 2 . . . . 634 VAL CG2 . 16293 1 217 . 1 1 23 23 SER H H 1 9.022 0.0 . 1 . . . . 635 SER H . 16293 1 218 . 1 1 23 23 SER HA H 1 4.489 0.0 . 1 . . . . 635 SER HA . 16293 1 219 . 1 1 23 23 SER HB2 H 1 3.892 0.0 . 2 . . . . 635 SER HB2 . 16293 1 220 . 1 1 23 23 SER HB3 H 1 3.563 0.0 . 2 . . . . 635 SER HB3 . 16293 1 221 . 1 1 23 23 SER CA C 13 57.199 0.0 . 1 . . . . 635 SER CA . 16293 1 222 . 1 1 23 23 SER CB C 13 64.479 0.0 . 1 . . . . 635 SER CB . 16293 1 223 . 1 1 24 24 ALA H H 1 8.918 0.0 . 1 . . . . 636 ALA H . 16293 1 224 . 1 1 24 24 ALA HA H 1 3.996 0.0 . 1 . . . . 636 ALA HA . 16293 1 225 . 1 1 24 24 ALA HB1 H 1 0.694 0.0 . 1 . . . . 636 ALA HB . 16293 1 226 . 1 1 24 24 ALA HB2 H 1 0.694 0.0 . 1 . . . . 636 ALA HB . 16293 1 227 . 1 1 24 24 ALA HB3 H 1 0.694 0.0 . 1 . . . . 636 ALA HB . 16293 1 228 . 1 1 24 24 ALA CA C 13 52.345 0.0 . 1 . . . . 636 ALA CA . 16293 1 229 . 1 1 24 24 ALA CB C 13 19.301 0.0 . 1 . . . . 636 ALA CB . 16293 1 230 . 1 1 25 25 PHE H H 1 8.119 0.0 . 1 . . . . 637 PHE H . 16293 1 231 . 1 1 25 25 PHE HA H 1 4.702 0.0 . 1 . . . . 637 PHE HA . 16293 1 232 . 1 1 25 25 PHE HB2 H 1 3.396 0.0 . 2 . . . . 637 PHE HB2 . 16293 1 233 . 1 1 25 25 PHE HB3 H 1 2.547 0.0 . 2 . . . . 637 PHE HB3 . 16293 1 234 . 1 1 25 25 PHE HD2 H 1 7.14 0.0 . 3 . . . . 637 PHE HD2 . 16293 1 235 . 1 1 25 25 PHE HE1 H 1 7.235 0.0 . 3 . . . . 637 PHE QE . 16293 1 236 . 1 1 25 25 PHE HE2 H 1 7.235 0.0 . 3 . . . . 637 PHE QE . 16293 1 237 . 1 1 25 25 PHE HZ H 1 7.139 0.0 . 1 . . . . 637 PHE HZ . 16293 1 238 . 1 1 25 25 PHE CA C 13 56.639 0.0 . 1 . . . . 637 PHE CA . 16293 1 239 . 1 1 25 25 PHE CB C 13 38.903 0.0 . 1 . . . . 637 PHE CB . 16293 1 240 . 1 1 25 25 PHE CD1 C 13 131.482 0.0 . 3 . . . . 637 PHE CD1 . 16293 1 241 . 1 1 25 25 PHE CD2 C 13 131.482 0.0 . 3 . . . . 637 PHE CD2 . 16293 1 242 . 1 1 25 25 PHE CE1 C 13 131.109 0.0 . 3 . . . . 637 PHE CE1 . 16293 1 243 . 1 1 25 25 PHE CZ C 13 128.869 0.0 . 1 . . . . 637 PHE CZ . 16293 1 244 . 1 1 26 26 SER H H 1 7.8 0.0 . 1 . . . . 638 SER H . 16293 1 245 . 1 1 26 26 SER HA H 1 4.818 0.0 . 1 . . . . 638 SER HA . 16293 1 246 . 1 1 26 26 SER HB2 H 1 3.732 0.0 . 2 . . . . 638 SER HB2 . 16293 1 247 . 1 1 26 26 SER HB3 H 1 3.539 0.0 . 2 . . . . 638 SER HB3 . 16293 1 248 . 1 1 26 26 SER CB C 13 64.666 0.0 . 1 . . . . 638 SER CB . 16293 1 249 . 1 1 27 27 THR H H 1 8.881 0.0 . 1 . . . . 639 THR H . 16293 1 250 . 1 1 27 27 THR HA H 1 4.943 0.0 . 1 . . . . 639 THR HA . 16293 1 251 . 1 1 27 27 THR HB H 1 4.642 0.0 . 1 . . . . 639 THR HB . 16293 1 252 . 1 1 27 27 THR HG21 H 1 1.283 0.0 . 1 . . . . 639 THR HG2 . 16293 1 253 . 1 1 27 27 THR HG22 H 1 1.283 0.0 . 1 . . . . 639 THR HG2 . 16293 1 254 . 1 1 27 27 THR HG23 H 1 1.283 0.0 . 1 . . . . 639 THR HG2 . 16293 1 255 . 1 1 27 27 THR CA C 13 59.252 0.0 . 1 . . . . 639 THR CA . 16293 1 256 . 1 1 27 27 THR CB C 13 72.88 0.0 . 1 . . . . 639 THR CB . 16293 1 257 . 1 1 27 27 THR CG2 C 13 22.848 0.0 . 1 . . . . 639 THR CG2 . 16293 1 258 . 1 1 28 28 TRP H H 1 9.322 0.0 . 1 . . . . 640 TRP H . 16293 1 259 . 1 1 28 28 TRP HA H 1 3.552 0.0 . 1 . . . . 640 TRP HA . 16293 1 260 . 1 1 28 28 TRP HB2 H 1 2.898 0.0 . 2 . . . . 640 TRP HB2 . 16293 1 261 . 1 1 28 28 TRP HD1 H 1 6.957 0.0 . 1 . . . . 640 TRP HD1 . 16293 1 262 . 1 1 28 28 TRP HE1 H 1 10.197 0.0 . 1 . . . . 640 TRP HE1 . 16293 1 263 . 1 1 28 28 TRP HE3 H 1 5.734 0.0 . 1 . . . . 640 TRP HE3 . 16293 1 264 . 1 1 28 28 TRP HH2 H 1 7.004 0.0 . 1 . . . . 640 TRP HH2 . 16293 1 265 . 1 1 28 28 TRP HZ2 H 1 7.63 0.0 . 1 . . . . 640 TRP HZ2 . 16293 1 266 . 1 1 28 28 TRP HZ3 H 1 6.552 0.0 . 1 . . . . 640 TRP HZ3 . 16293 1 267 . 1 1 28 28 TRP CA C 13 60.186 0.0 . 1 . . . . 640 TRP CA . 16293 1 268 . 1 1 28 28 TRP CB C 13 29.948 0.0 . 1 . . . . 640 TRP CB . 16293 1 269 . 1 1 28 28 TRP CD1 C 13 127.002 0.0 . 1 . . . . 640 TRP CD1 . 16293 1 270 . 1 1 28 28 TRP CE3 C 13 119.908 0.0 . 1 . . . . 640 TRP CE3 . 16293 1 271 . 1 1 28 28 TRP CH2 C 13 122.895 0.0 . 1 . . . . 640 TRP CH2 . 16293 1 272 . 1 1 28 28 TRP CZ2 C 13 115.060 0.0 . 1 . . . . 640 TRP CZ2 . 16293 1 273 . 1 1 28 28 TRP CZ3 C 13 119.908 0.0 . 1 . . . . 640 TRP CZ3 . 16293 1 274 . 1 1 29 29 GLU H H 1 8.839 0.0 . 1 . . . . 641 GLU H . 16293 1 275 . 1 1 29 29 GLU HA H 1 3.573 0.0 . 1 . . . . 641 GLU HA . 16293 1 276 . 1 1 29 29 GLU HB2 H 1 2.025 0.0 . 2 . . . . 641 GLU HB2 . 16293 1 277 . 1 1 29 29 GLU HB3 H 1 1.896 0.0 . 2 . . . . 641 GLU HB3 . 16293 1 278 . 1 1 29 29 GLU HG2 H 1 2.507 0.0 . 2 . . . . 641 GLU HG2 . 16293 1 279 . 1 1 29 29 GLU HG3 H 1 2.308 0.0 . 2 . . . . 641 GLU HG3 . 16293 1 280 . 1 1 29 29 GLU CA C 13 60.746 0.0 . 1 . . . . 641 GLU CA . 16293 1 281 . 1 1 29 29 GLU CB C 13 29.196 0.0 . 1 . . . . 641 GLU CB . 16293 1 282 . 1 1 29 29 GLU CG C 13 37.97 0.0 . 1 . . . . 641 GLU CG . 16293 1 283 . 1 1 30 30 LYS H H 1 7.667 0.0 . 1 . . . . 642 LYS H . 16293 1 284 . 1 1 30 30 LYS HA H 1 4.118 0.0 . 1 . . . . 642 LYS HA . 16293 1 285 . 1 1 30 30 LYS HB2 H 1 2.002 0.0 . 2 . . . . 642 LYS HB2 . 16293 1 286 . 1 1 30 30 LYS HB3 H 1 1.874 0.0 . 2 . . . . 642 LYS HB3 . 16293 1 287 . 1 1 30 30 LYS HD2 H 1 1.727 0.0 . 2 . . . . 642 LYS HD2 . 16293 1 288 . 1 1 30 30 LYS HE2 H 1 2.98 0.0 . 2 . . . . 642 LYS HE2 . 16293 1 289 . 1 1 30 30 LYS HG2 H 1 1.505 0.0 . 2 . . . . 642 LYS HG2 . 16293 1 290 . 1 1 30 30 LYS HG3 H 1 1.409 0.0 . 2 . . . . 642 LYS HG3 . 16293 1 291 . 1 1 30 30 LYS CA C 13 58.879 0.0 . 1 . . . . 642 LYS CA . 16293 1 292 . 1 1 30 30 LYS CB C 13 33.293 0.0 . 1 . . . . 642 LYS CB . 16293 1 293 . 1 1 30 30 LYS CD C 13 29.569 0.0 . 1 . . . . 642 LYS CD . 16293 1 294 . 1 1 30 30 LYS CE C 13 42.45 0.0 . 1 . . . . 642 LYS CE . 16293 1 295 . 1 1 30 30 LYS CG C 13 26.582 0.0 . 1 . . . . 642 LYS CG . 16293 1 296 . 1 1 31 31 GLU H H 1 7.748 0.0 . 1 . . . . 643 GLU H . 16293 1 297 . 1 1 31 31 GLU HA H 1 4.047 0.0 . 1 . . . . 643 GLU HA . 16293 1 298 . 1 1 31 31 GLU HB2 H 1 2.18 0.0 . 2 . . . . 643 GLU HB2 . 16293 1 299 . 1 1 31 31 GLU HB3 H 1 1.737 0.0 . 2 . . . . 643 GLU HB3 . 16293 1 300 . 1 1 31 31 GLU HG2 H 1 2.781 0.0 . 2 . . . . 643 GLU HG2 . 16293 1 301 . 1 1 31 31 GLU HG3 H 1 2.483 0.0 . 2 . . . . 643 GLU HG3 . 16293 1 302 . 1 1 31 31 GLU CA C 13 56.265 0.0 . 1 . . . . 643 GLU CA . 16293 1 303 . 1 1 31 31 GLU CB C 13 31.623 0.0 . 1 . . . . 643 GLU CB . 16293 1 304 . 1 1 31 31 GLU CG C 13 36.85 0.0 . 1 . . . . 643 GLU CG . 16293 1 305 . 1 1 32 32 LEU H H 1 7.218 0.0 . 1 . . . . 644 LEU H . 16293 1 306 . 1 1 32 32 LEU HA H 1 3.14 0.0 . 1 . . . . 644 LEU HA . 16293 1 307 . 1 1 32 32 LEU HB2 H 1 1.139 0.0 . 2 . . . . 644 LEU HB2 . 16293 1 308 . 1 1 32 32 LEU HB3 H 1 0.921 0.0 . 2 . . . . 644 LEU HB3 . 16293 1 309 . 1 1 32 32 LEU HD11 H 1 0.462 0.0 . 2 . . . . 644 LEU HD1 . 16293 1 310 . 1 1 32 32 LEU HD12 H 1 0.462 0.0 . 2 . . . . 644 LEU HD1 . 16293 1 311 . 1 1 32 32 LEU HD13 H 1 0.462 0.0 . 2 . . . . 644 LEU HD1 . 16293 1 312 . 1 1 32 32 LEU HD21 H 1 0.277 0.0 . 2 . . . . 644 LEU HD2 . 16293 1 313 . 1 1 32 32 LEU HD22 H 1 0.277 0.0 . 2 . . . . 644 LEU HD2 . 16293 1 314 . 1 1 32 32 LEU HD23 H 1 0.277 0.0 . 2 . . . . 644 LEU HD2 . 16293 1 315 . 1 1 32 32 LEU HG H 1 0.921 0.0 . 1 . . . . 644 LEU HG . 16293 1 316 . 1 1 32 32 LEU CA C 13 58.132 0.0 . 1 . . . . 644 LEU CA . 16293 1 317 . 1 1 32 32 LEU CB C 13 41.89 0.0 . 1 . . . . 644 LEU CB . 16293 1 318 . 1 1 32 32 LEU CD1 C 13 25.649 0.0 . 2 . . . . 644 LEU CD1 . 16293 1 319 . 1 1 32 32 LEU CD2 C 13 23.595 0.0 . 2 . . . . 644 LEU CD2 . 16293 1 320 . 1 1 32 32 LEU CG C 13 26.582 0.0 . 1 . . . . 644 LEU CG . 16293 1 321 . 1 1 33 33 HIS H H 1 8.471 0.0 . 1 . . . . 645 HIS H . 16293 1 322 . 1 1 33 33 HIS HA H 1 4.005 0.0 . 1 . . . . 645 HIS HA . 16293 1 323 . 1 1 33 33 HIS HB2 H 1 3.113 0.0 . 2 . . . . 645 HIS HB2 . 16293 1 324 . 1 1 33 33 HIS HB3 H 1 2.952 0.0 . 2 . . . . 645 HIS HB3 . 16293 1 325 . 1 1 33 33 HIS HD2 H 1 7.15 0.0 . 1 . . . . 645 HIS HD2 . 16293 1 326 . 1 1 33 33 HIS HE1 H 1 8.153 0.0 . 1 . . . . 645 HIS HE1 . 16293 1 327 . 1 1 33 33 HIS CA C 13 58.505 0.0 . 1 . . . . 645 HIS CA . 16293 1 328 . 1 1 33 33 HIS CB C 13 28.449 0.0 . 1 . . . . 645 HIS CB . 16293 1 329 . 1 1 33 33 HIS CD2 C 13 121.984 0.0 . 1 . . . . 645 HIS CD2 . 16293 1 330 . 1 1 33 33 HIS CE1 C 13 137.830 0.0 . 1 . . . . 645 HIS CE1 . 16293 1 331 . 1 1 34 34 LYS H H 1 7.429 0.0 . 1 . . . . 646 LYS H . 16293 1 332 . 1 1 34 34 LYS HA H 1 3.816 0.0 . 1 . . . . 646 LYS HA . 16293 1 333 . 1 1 34 34 LYS HB2 H 1 1.72 0.0 . 2 . . . . 646 LYS HB2 . 16293 1 334 . 1 1 34 34 LYS HB3 H 1 1.505 0.0 . 2 . . . . 646 LYS HB3 . 16293 1 335 . 1 1 34 34 LYS HD2 H 1 1.441 0.0 . 2 . . . . 646 LYS HD2 . 16293 1 336 . 1 1 34 34 LYS HE2 H 1 3.01 0.0 . 2 . . . . 646 LYS HE2 . 16293 1 337 . 1 1 34 34 LYS HE3 H 1 2.808 0.0 . 2 . . . . 646 LYS HE3 . 16293 1 338 . 1 1 34 34 LYS HG2 H 1 0.98 0.0 . 2 . . . . 646 LYS HG2 . 16293 1 339 . 1 1 34 34 LYS HG3 H 1 0.258 0.0 . 2 . . . . 646 LYS HG3 . 16293 1 340 . 1 1 34 34 LYS CA C 13 58.505 0.0 . 1 . . . . 646 LYS CA . 16293 1 341 . 1 1 34 34 LYS CB C 13 34.615 0.0 . 1 . . . . 646 LYS CB . 16293 1 342 . 1 1 34 34 LYS CD C 13 30.129 0.0 . 1 . . . . 646 LYS CD . 16293 1 343 . 1 1 34 34 LYS CE C 13 42.824 0.0 . 1 . . . . 646 LYS CE . 16293 1 344 . 1 1 34 34 LYS CG C 13 26.775 0.0 . 1 . . . . 646 LYS CG . 16293 1 345 . 1 1 35 35 ILE H H 1 7.152 0.0 . 1 . . . . 647 ILE H . 16293 1 346 . 1 1 35 35 ILE HA H 1 4.156 0.0 . 1 . . . . 647 ILE HA . 16293 1 347 . 1 1 35 35 ILE HB H 1 1.937 0.0 . 1 . . . . 647 ILE HB . 16293 1 348 . 1 1 35 35 ILE HD11 H 1 0.52 0.0 . 1 . . . . 647 ILE HD1 . 16293 1 349 . 1 1 35 35 ILE HD12 H 1 0.52 0.0 . 1 . . . . 647 ILE HD1 . 16293 1 350 . 1 1 35 35 ILE HD13 H 1 0.52 0.0 . 1 . . . . 647 ILE HD1 . 16293 1 351 . 1 1 35 35 ILE HG21 H 1 0.34 0.0 . 1 . . . . 647 ILE HG2 . 16293 1 352 . 1 1 35 35 ILE HG22 H 1 0.34 0.0 . 1 . . . . 647 ILE HG2 . 16293 1 353 . 1 1 35 35 ILE HG23 H 1 0.34 0.0 . 1 . . . . 647 ILE HG2 . 16293 1 354 . 1 1 35 35 ILE CA C 13 61.492 0.0 . 1 . . . . 647 ILE CA . 16293 1 355 . 1 1 35 35 ILE CB C 13 40.957 0.0 . 1 . . . . 647 ILE CB . 16293 1 356 . 1 1 35 35 ILE CD1 C 13 14.261 0.0 . 1 . . . . 647 ILE CD1 . 16293 1 357 . 1 1 35 35 ILE CG2 C 13 19.301 0.0 . 1 . . . . 647 ILE CG2 . 16293 1 358 . 1 1 36 36 VAL H H 1 6.892 0.0 . 1 . . . . 648 VAL H . 16293 1 359 . 1 1 36 36 VAL HA H 1 2.231 0.0 . 1 . . . . 648 VAL HA . 16293 1 360 . 1 1 36 36 VAL HB H 1 1.325 0.0 . 1 . . . . 648 VAL HB . 16293 1 361 . 1 1 36 36 VAL HG11 H 1 0.29 0.0 . 2 . . . . 648 VAL HG1 . 16293 1 362 . 1 1 36 36 VAL HG12 H 1 0.29 0.0 . 2 . . . . 648 VAL HG1 . 16293 1 363 . 1 1 36 36 VAL HG13 H 1 0.29 0.0 . 2 . . . . 648 VAL HG1 . 16293 1 364 . 1 1 36 36 VAL HG21 H 1 0.168 0.0 . 2 . . . . 648 VAL HG2 . 16293 1 365 . 1 1 36 36 VAL HG22 H 1 0.168 0.0 . 2 . . . . 648 VAL HG2 . 16293 1 366 . 1 1 36 36 VAL HG23 H 1 0.168 0.0 . 2 . . . . 648 VAL HG2 . 16293 1 367 . 1 1 36 36 VAL CA C 13 63.733 0.0 . 1 . . . . 648 VAL CA . 16293 1 368 . 1 1 36 36 VAL CB C 13 31.436 0.0 . 1 . . . . 648 VAL CB . 16293 1 369 . 1 1 36 36 VAL CG1 C 13 20.433 0.0 . 2 . . . . 648 VAL CG1 . 16293 1 370 . 1 1 36 36 VAL CG2 C 13 19.918 0.0 . 2 . . . . 648 VAL CG2 . 16293 1 371 . 1 1 37 37 PHE H H 1 7.254 0.0 . 1 . . . . 649 PHE H . 16293 1 372 . 1 1 37 37 PHE HA H 1 4.629 0.0 . 1 . . . . 649 PHE HA . 16293 1 373 . 1 1 37 37 PHE HB2 H 1 3.13 0.0 . 2 . . . . 649 PHE HB2 . 16293 1 374 . 1 1 37 37 PHE HB3 H 1 2.847 0.0 . 2 . . . . 649 PHE HB3 . 16293 1 375 . 1 1 37 37 PHE HD2 H 1 7.071 0.0 . 3 . . . . 649 PHE HD2 . 16293 1 376 . 1 1 37 37 PHE HE1 H 1 7.233 0.0 . 3 . . . . 649 PHE QE . 16293 1 377 . 1 1 37 37 PHE HE2 H 1 7.233 0.0 . 3 . . . . 649 PHE QE . 16293 1 378 . 1 1 37 37 PHE CA C 13 56.078 0.0 . 1 . . . . 649 PHE CA . 16293 1 379 . 1 1 37 37 PHE CB C 13 38.717 0.0 . 1 . . . . 649 PHE CB . 16293 1 380 . 1 1 37 37 PHE CD1 C 13 131.109 0.0 . 3 . . . . 649 PHE CD1 . 16293 1 381 . 1 1 37 37 PHE CD2 C 13 131.109 0.0 . 3 . . . . 649 PHE CD2 . 16293 1 382 . 1 1 37 37 PHE CE1 C 13 131.109 0.0 . 3 . . . . 649 PHE CE1 . 16293 1 383 . 1 1 38 38 ASP H H 1 7.527 0.0 . 1 . . . . 650 ASP H . 16293 1 384 . 1 1 38 38 ASP HA H 1 4.69 0.0 . 1 . . . . 650 ASP HA . 16293 1 385 . 1 1 38 38 ASP HB2 H 1 3.302 0.0 . 2 . . . . 650 ASP HB2 . 16293 1 386 . 1 1 38 38 ASP HB3 H 1 2.058 0.0 . 2 . . . . 650 ASP HB3 . 16293 1 387 . 1 1 38 38 ASP CA C 13 51.971 0.0 . 1 . . . . 650 ASP CA . 16293 1 388 . 1 1 38 38 ASP CB C 13 44.055 0.0 . 1 . . . . 650 ASP CB . 16293 1 389 . 1 1 39 39 PRO HA H 1 4.267 0.0 . 1 . . . . 651 PRO HA . 16293 1 390 . 1 1 39 39 PRO HB2 H 1 2.414 0.0 . 2 . . . . 651 PRO HB2 . 16293 1 391 . 1 1 39 39 PRO HB3 H 1 1.924 0.0 . 2 . . . . 651 PRO HB3 . 16293 1 392 . 1 1 39 39 PRO HD2 H 1 3.929 0.0 . 2 . . . . 651 PRO HD2 . 16293 1 393 . 1 1 39 39 PRO HD3 H 1 3.734 0.0 . 2 . . . . 651 PRO HD3 . 16293 1 394 . 1 1 39 39 PRO HG2 H 1 2.05 0.0 . 2 . . . . 651 PRO HG2 . 16293 1 395 . 1 1 39 39 PRO CA C 13 65.599 0.0 . 1 . . . . 651 PRO CA . 16293 1 396 . 1 1 39 39 PRO CB C 13 32.556 0.0 . 1 . . . . 651 PRO CB . 16293 1 397 . 1 1 39 39 PRO CD C 13 51.225 0.0 . 1 . . . . 651 PRO CD . 16293 1 398 . 1 1 39 39 PRO CG C 13 27.889 0.0 . 1 . . . . 651 PRO CG . 16293 1 399 . 1 1 40 40 ARG H H 1 9.454 0.0 . 1 . . . . 652 ARG H . 16293 1 400 . 1 1 40 40 ARG HA H 1 3.978 0.0 . 1 . . . . 652 ARG HA . 16293 1 401 . 1 1 40 40 ARG HB2 H 1 2.176 0.0 . 2 . . . . 652 ARG HB2 . 16293 1 402 . 1 1 40 40 ARG HB3 H 1 1.493 0.0 . 2 . . . . 652 ARG HB3 . 16293 1 403 . 1 1 40 40 ARG HD2 H 1 3.334 0.0 . 2 . . . . 652 ARG HD2 . 16293 1 404 . 1 1 40 40 ARG HD3 H 1 3.005 0.0 . 2 . . . . 652 ARG HD3 . 16293 1 405 . 1 1 40 40 ARG HE H 1 7.889 0.0 . 1 . . . . 652 ARG HE . 16293 1 406 . 1 1 40 40 ARG HG2 H 1 1.789 0.0 . 2 . . . . 652 ARG HG2 . 16293 1 407 . 1 1 40 40 ARG HG3 H 1 1.686 0.0 . 2 . . . . 652 ARG HG3 . 16293 1 408 . 1 1 40 40 ARG CA C 13 58.505 0.0 . 1 . . . . 652 ARG CA . 16293 1 409 . 1 1 40 40 ARG CB C 13 30.129 0.0 . 1 . . . . 652 ARG CB . 16293 1 410 . 1 1 40 40 ARG CD C 13 43.571 0.0 . 1 . . . . 652 ARG CD . 16293 1 411 . 1 1 40 40 ARG CG C 13 27.142 0.0 . 1 . . . . 652 ARG CG . 16293 1 412 . 1 1 41 41 TYR H H 1 8.32 0.0 . 1 . . . . 653 TYR H . 16293 1 413 . 1 1 41 41 TYR HA H 1 4.145 0.0 . 1 . . . . 653 TYR HA . 16293 1 414 . 1 1 41 41 TYR HB2 H 1 3.328 0.0 . 2 . . . . 653 TYR HB2 . 16293 1 415 . 1 1 41 41 TYR HB3 H 1 2.998 0.0 . 2 . . . . 653 TYR HB3 . 16293 1 416 . 1 1 41 41 TYR HD2 H 1 6.729 0.0 . 3 . . . . 653 TYR HD2 . 16293 1 417 . 1 1 41 41 TYR HE1 H 1 6.78 0.0 . 3 . . . . 653 TYR QE . 16293 1 418 . 1 1 41 41 TYR HE2 H 1 6.78 0.0 . 3 . . . . 653 TYR QE . 16293 1 419 . 1 1 41 41 TYR CA C 13 61.119 0.0 . 1 . . . . 653 TYR CA . 16293 1 420 . 1 1 41 41 TYR CB C 13 40.127 0.0 . 1 . . . . 653 TYR CB . 16293 1 421 . 1 1 41 41 TYR CD1 C 13 132.602 0.0 . 3 . . . . 653 TYR CD1 . 16293 1 422 . 1 1 41 41 TYR CE1 C 13 117.854 0.0 . 3 . . . . 653 TYR CE1 . 16293 1 423 . 1 1 42 42 LEU H H 1 6.993 0.0 . 1 . . . . 654 LEU H . 16293 1 424 . 1 1 42 42 LEU HA H 1 4.081 0.0 . 1 . . . . 654 LEU HA . 16293 1 425 . 1 1 42 42 LEU HB2 H 1 1.913 0.0 . 2 . . . . 654 LEU HB2 . 16293 1 426 . 1 1 42 42 LEU HD11 H 1 0.972 0.0 . 2 . . . . 654 LEU HD1 . 16293 1 427 . 1 1 42 42 LEU HD12 H 1 0.972 0.0 . 2 . . . . 654 LEU HD1 . 16293 1 428 . 1 1 42 42 LEU HD13 H 1 0.972 0.0 . 2 . . . . 654 LEU HD1 . 16293 1 429 . 1 1 42 42 LEU HD21 H 1 0.93 0.0 . 2 . . . . 654 LEU HD2 . 16293 1 430 . 1 1 42 42 LEU HD22 H 1 0.93 0.0 . 2 . . . . 654 LEU HD2 . 16293 1 431 . 1 1 42 42 LEU HD23 H 1 0.93 0.0 . 2 . . . . 654 LEU HD2 . 16293 1 432 . 1 1 42 42 LEU HG H 1 1.729 0.0 . 1 . . . . 654 LEU HG . 16293 1 433 . 1 1 42 42 LEU CA C 13 54.772 0.0 . 1 . . . . 654 LEU CA . 16293 1 434 . 1 1 42 42 LEU CB C 13 41.89 0.0 . 1 . . . . 654 LEU CB . 16293 1 435 . 1 1 42 42 LEU CD1 C 13 25.835 0.0 . 2 . . . . 654 LEU CD1 . 16293 1 436 . 1 1 42 42 LEU CD2 C 13 27.148 0.0 . 2 . . . . 654 LEU CD2 . 16293 1 437 . 1 1 42 42 LEU CG C 13 26.955 0.0 . 1 . . . . 654 LEU CG . 16293 1 438 . 1 1 43 43 LEU H H 1 7.492 0.0 . 1 . . . . 655 LEU H . 16293 1 439 . 1 1 43 43 LEU HA H 1 4.053 0.0 . 1 . . . . 655 LEU HA . 16293 1 440 . 1 1 43 43 LEU HB2 H 1 1.958 0.0 . 2 . . . . 655 LEU HB2 . 16293 1 441 . 1 1 43 43 LEU HB3 H 1 1.38 0.0 . 2 . . . . 655 LEU HB3 . 16293 1 442 . 1 1 43 43 LEU HD11 H 1 0.994 0.0 . 2 . . . . 655 LEU HD1 . 16293 1 443 . 1 1 43 43 LEU HD12 H 1 0.994 0.0 . 2 . . . . 655 LEU HD1 . 16293 1 444 . 1 1 43 43 LEU HD13 H 1 0.994 0.0 . 2 . . . . 655 LEU HD1 . 16293 1 445 . 1 1 43 43 LEU HD21 H 1 0.84 0.0 . 2 . . . . 655 LEU HD2 . 16293 1 446 . 1 1 43 43 LEU HD22 H 1 0.84 0.0 . 2 . . . . 655 LEU HD2 . 16293 1 447 . 1 1 43 43 LEU HD23 H 1 0.84 0.0 . 2 . . . . 655 LEU HD2 . 16293 1 448 . 1 1 43 43 LEU HG H 1 1.794 0.0 . 1 . . . . 655 LEU HG . 16293 1 449 . 1 1 43 43 LEU CA C 13 56.452 0.0 . 1 . . . . 655 LEU CA . 16293 1 450 . 1 1 43 43 LEU CB C 13 43.757 0.0 . 1 . . . . 655 LEU CB . 16293 1 451 . 1 1 43 43 LEU CD1 C 13 26.769 0.0 . 2 . . . . 655 LEU CD1 . 16293 1 452 . 1 1 43 43 LEU CD2 C 13 22.475 0.0 . 2 . . . . 655 LEU CD2 . 16293 1 453 . 1 1 43 43 LEU CG C 13 27.516 0.0 . 1 . . . . 655 LEU CG . 16293 1 454 . 1 1 44 44 LEU H H 1 6.524 0.0 . 1 . . . . 656 LEU H . 16293 1 455 . 1 1 44 44 LEU HA H 1 4.57 0.0 . 1 . . . . 656 LEU HA . 16293 1 456 . 1 1 44 44 LEU HB2 H 1 1.382 0.0 . 2 . . . . 656 LEU HB2 . 16293 1 457 . 1 1 44 44 LEU HB3 H 1 0.768 0.0 . 2 . . . . 656 LEU HB3 . 16293 1 458 . 1 1 44 44 LEU HD11 H 1 0.538 0.0 . 2 . . . . 656 LEU HD1 . 16293 1 459 . 1 1 44 44 LEU HD12 H 1 0.538 0.0 . 2 . . . . 656 LEU HD1 . 16293 1 460 . 1 1 44 44 LEU HD13 H 1 0.538 0.0 . 2 . . . . 656 LEU HD1 . 16293 1 461 . 1 1 44 44 LEU HD21 H 1 0.004 0.0 . 2 . . . . 656 LEU HD2 . 16293 1 462 . 1 1 44 44 LEU HD22 H 1 0.004 0.0 . 2 . . . . 656 LEU HD2 . 16293 1 463 . 1 1 44 44 LEU HD23 H 1 0.004 0.0 . 2 . . . . 656 LEU HD2 . 16293 1 464 . 1 1 44 44 LEU HG H 1 1.079 0.0 . 1 . . . . 656 LEU HG . 16293 1 465 . 1 1 44 44 LEU CA C 13 51.971 0.0 . 1 . . . . 656 LEU CA . 16293 1 466 . 1 1 44 44 LEU CB C 13 45.437 0.0 . 1 . . . . 656 LEU CB . 16293 1 467 . 1 1 44 44 LEU CD1 C 13 23.788 0.0 . 2 . . . . 656 LEU CD1 . 16293 1 468 . 1 1 44 44 LEU CD2 C 13 27.148 0.0 . 2 . . . . 656 LEU CD2 . 16293 1 469 . 1 1 44 44 LEU CG C 13 27.142 0.0 . 1 . . . . 656 LEU CG . 16293 1 470 . 1 1 45 45 ASN H H 1 8.812 0.0 . 1 . . . . 657 ASN H . 16293 1 471 . 1 1 45 45 ASN HA H 1 4.677 0.0 . 1 . . . . 657 ASN HA . 16293 1 472 . 1 1 45 45 ASN HB2 H 1 3.084 0.0 . 2 . . . . 657 ASN HB2 . 16293 1 473 . 1 1 45 45 ASN HB3 H 1 2.673 0.0 . 2 . . . . 657 ASN HB3 . 16293 1 474 . 1 1 45 45 ASN HD21 H 1 7.357 0.0 . 2 . . . . 657 ASN HD21 . 16293 1 475 . 1 1 45 45 ASN HD22 H 1 6.661 0.0 . 2 . . . . 657 ASN HD22 . 16293 1 476 . 1 1 45 45 ASN CA C 13 51.411 0.0 . 1 . . . . 657 ASN CA . 16293 1 477 . 1 1 45 45 ASN CB C 13 36.482 0.0 . 1 . . . . 657 ASN CB . 16293 1 478 . 1 1 46 46 PRO HA H 1 4.678 0.0 . 1 . . . . 658 PRO HA . 16293 1 479 . 1 1 46 46 PRO HB2 H 1 2.283 0.0 . 2 . . . . 658 PRO HB2 . 16293 1 480 . 1 1 46 46 PRO HB3 H 1 2.121 0.0 . 2 . . . . 658 PRO HB3 . 16293 1 481 . 1 1 46 46 PRO HD2 H 1 3.7 0.0 . 2 . . . . 658 PRO HD2 . 16293 1 482 . 1 1 46 46 PRO HG2 H 1 2.139 0.0 . 2 . . . . 658 PRO HG2 . 16293 1 483 . 1 1 46 46 PRO HG3 H 1 1.851 0.0 . 2 . . . . 658 PRO HG3 . 16293 1 484 . 1 1 46 46 PRO CB C 13 32.369 0.0 . 1 . . . . 658 PRO CB . 16293 1 485 . 1 1 46 46 PRO CD C 13 50.105 0.0 . 1 . . . . 658 PRO CD . 16293 1 486 . 1 1 46 46 PRO CG C 13 28.449 0.0 . 1 . . . . 658 PRO CG . 16293 1 487 . 1 1 47 47 LYS H H 1 7.93 0.0 . 1 . . . . 659 LYS H . 16293 1 488 . 1 1 47 47 LYS HA H 1 3.795 0.0 . 1 . . . . 659 LYS HA . 16293 1 489 . 1 1 47 47 LYS HB2 H 1 1.725 0.0 . 2 . . . . 659 LYS HB2 . 16293 1 490 . 1 1 47 47 LYS HD2 H 1 1.546 0.0 . 2 . . . . 659 LYS HD2 . 16293 1 491 . 1 1 47 47 LYS HE2 H 1 2.851 0.0 . 2 . . . . 659 LYS HE2 . 16293 1 492 . 1 1 47 47 LYS HG2 H 1 1.362 0.0 . 2 . . . . 659 LYS HG2 . 16293 1 493 . 1 1 47 47 LYS HG3 H 1 1.193 0.0 . 2 . . . . 659 LYS HG3 . 16293 1 494 . 1 1 47 47 LYS CA C 13 59.355 0.0 . 1 . . . . 659 LYS CA . 16293 1 495 . 1 1 47 47 LYS CB C 13 32.369 0.0 . 1 . . . . 659 LYS CB . 16293 1 496 . 1 1 47 47 LYS CD C 13 29.569 0.0 . 1 . . . . 659 LYS CD . 16293 1 497 . 1 1 47 47 LYS CE C 13 42.264 0.0 . 1 . . . . 659 LYS CE . 16293 1 498 . 1 1 47 47 LYS CG C 13 25.462 0.0 . 1 . . . . 659 LYS CG . 16293 1 499 . 1 1 48 48 GLU H H 1 7.927 0.0 . 1 . . . . 660 GLU H . 16293 1 500 . 1 1 48 48 GLU HA H 1 3.78 0.0 . 1 . . . . 660 GLU HA . 16293 1 501 . 1 1 48 48 GLU HB2 H 1 2.162 0.0 . 2 . . . . 660 GLU HB2 . 16293 1 502 . 1 1 48 48 GLU HB3 H 1 1.476 0.0 . 2 . . . . 660 GLU HB3 . 16293 1 503 . 1 1 48 48 GLU HG2 H 1 2.187 0.0 . 2 . . . . 660 GLU HG2 . 16293 1 504 . 1 1 48 48 GLU HG3 H 1 2.05 0.0 . 2 . . . . 660 GLU HG3 . 16293 1 505 . 1 1 48 48 GLU CA C 13 58.505 0.0 . 1 . . . . 660 GLU CA . 16293 1 506 . 1 1 48 48 GLU CB C 13 31.249 0.0 . 1 . . . . 660 GLU CB . 16293 1 507 . 1 1 48 48 GLU CG C 13 36.29 0.0 . 1 . . . . 660 GLU CG . 16293 1 508 . 1 1 49 49 ARG H H 1 8.427 0.0 . 1 . . . . 661 ARG H . 16293 1 509 . 1 1 49 49 ARG HA H 1 3.792 0.0 . 1 . . . . 661 ARG HA . 16293 1 510 . 1 1 49 49 ARG HB2 H 1 1.535 0.0 . 2 . . . . 661 ARG HB2 . 16293 1 511 . 1 1 49 49 ARG HB3 H 1 1.401 0.0 . 2 . . . . 661 ARG HB3 . 16293 1 512 . 1 1 49 49 ARG HD2 H 1 2.767 0.0 . 2 . . . . 661 ARG HD2 . 16293 1 513 . 1 1 49 49 ARG HE H 1 6.001 0.0 . 1 . . . . 661 ARG HE . 16293 1 514 . 1 1 49 49 ARG HG2 H 1 0.858 0.0 . 2 . . . . 661 ARG HG2 . 16293 1 515 . 1 1 49 49 ARG CA C 13 59.626 0.0 . 1 . . . . 661 ARG CA . 16293 1 516 . 1 1 49 49 ARG CB C 13 31.249 0.0 . 1 . . . . 661 ARG CB . 16293 1 517 . 1 1 49 49 ARG CD C 13 44.131 0.0 . 1 . . . . 661 ARG CD . 16293 1 518 . 1 1 49 49 ARG CG C 13 29.196 0.0 . 1 . . . . 661 ARG CG . 16293 1 519 . 1 1 50 50 LYS H H 1 6.77 0.0 . 1 . . . . 662 LYS H . 16293 1 520 . 1 1 50 50 LYS HA H 1 3.416 0.0 . 1 . . . . 662 LYS HA . 16293 1 521 . 1 1 50 50 LYS HB2 H 1 1.611 0.0 . 2 . . . . 662 LYS HB2 . 16293 1 522 . 1 1 50 50 LYS HB3 H 1 1.276 0.0 . 2 . . . . 662 LYS HB3 . 16293 1 523 . 1 1 50 50 LYS HD2 H 1 1.324 0.0 . 2 . . . . 662 LYS HD2 . 16293 1 524 . 1 1 50 50 LYS HD3 H 1 0.964 0.0 . 2 . . . . 662 LYS HD3 . 16293 1 525 . 1 1 50 50 LYS HE2 H 1 2.685 0.0 . 2 . . . . 662 LYS HE2 . 16293 1 526 . 1 1 50 50 LYS HE3 H 1 2.607 0.0 . 2 . . . . 662 LYS HE3 . 16293 1 527 . 1 1 50 50 LYS HG2 H 1 1.04 0.0 . 2 . . . . 662 LYS HG2 . 16293 1 528 . 1 1 50 50 LYS HG3 H 1 0.894 0.0 . 2 . . . . 662 LYS HG3 . 16293 1 529 . 1 1 50 50 LYS CA C 13 58.505 0.0 . 1 . . . . 662 LYS CA . 16293 1 530 . 1 1 50 50 LYS CB C 13 31.996 0.0 . 1 . . . . 662 LYS CB . 16293 1 531 . 1 1 50 50 LYS CD C 13 28.268 0.0 . 1 . . . . 662 LYS CD . 16293 1 532 . 1 1 50 50 LYS CE C 13 42.083 0.0 . 1 . . . . 662 LYS CE . 16293 1 533 . 1 1 50 50 LYS CG C 13 24.902 0.0 . 1 . . . . 662 LYS CG . 16293 1 534 . 1 1 51 51 GLN H H 1 7.507 0.0 . 1 . . . . 663 GLN H . 16293 1 535 . 1 1 51 51 GLN HA H 1 4.006 0.0 . 1 . . . . 663 GLN HA . 16293 1 536 . 1 1 51 51 GLN HB2 H 1 1.983 0.0 . 2 . . . . 663 GLN HB2 . 16293 1 537 . 1 1 51 51 GLN HE21 H 1 7.318 0.0 . 2 . . . . 663 GLN HE21 . 16293 1 538 . 1 1 51 51 GLN HE22 H 1 6.688 0.0 . 2 . . . . 663 GLN HE22 . 16293 1 539 . 1 1 51 51 GLN HG2 H 1 2.409 0.0 . 2 . . . . 663 GLN HG2 . 16293 1 540 . 1 1 51 51 GLN HG3 H 1 2.185 0.0 . 2 . . . . 663 GLN HG3 . 16293 1 541 . 1 1 51 51 GLN CA C 13 59.252 0.0 . 1 . . . . 663 GLN CA . 16293 1 542 . 1 1 51 51 GLN CB C 13 28.822 0.0 . 1 . . . . 663 GLN CB . 16293 1 543 . 1 1 51 51 GLN CG C 13 34.236 0.0 . 1 . . . . 663 GLN CG . 16293 1 544 . 1 1 52 52 VAL H H 1 8.038 0.0 . 1 . . . . 664 VAL H . 16293 1 545 . 1 1 52 52 VAL HA H 1 3.64 0.0 . 1 . . . . 664 VAL HA . 16293 1 546 . 1 1 52 52 VAL HB H 1 1.893 0.0 . 1 . . . . 664 VAL HB . 16293 1 547 . 1 1 52 52 VAL HG11 H 1 1.122 0.0 . 2 . . . . 664 VAL HG1 . 16293 1 548 . 1 1 52 52 VAL HG12 H 1 1.122 0.0 . 2 . . . . 664 VAL HG1 . 16293 1 549 . 1 1 52 52 VAL HG13 H 1 1.122 0.0 . 2 . . . . 664 VAL HG1 . 16293 1 550 . 1 1 52 52 VAL HG21 H 1 0.963 0.0 . 2 . . . . 664 VAL HG2 . 16293 1 551 . 1 1 52 52 VAL HG22 H 1 0.963 0.0 . 2 . . . . 664 VAL HG2 . 16293 1 552 . 1 1 52 52 VAL HG23 H 1 0.963 0.0 . 2 . . . . 664 VAL HG2 . 16293 1 553 . 1 1 52 52 VAL CA C 13 66.533 0.0 . 1 . . . . 664 VAL CA . 16293 1 554 . 1 1 52 52 VAL CB C 13 31.623 0.0 . 1 . . . . 664 VAL CB . 16293 1 555 . 1 1 52 52 VAL CG1 C 13 23.595 0.0 . 2 . . . . 664 VAL CG1 . 16293 1 556 . 1 1 52 52 VAL CG2 C 13 24.155 0.0 . 2 . . . . 664 VAL CG2 . 16293 1 557 . 1 1 53 53 PHE H H 1 8.756 0.0 . 1 . . . . 665 PHE H . 16293 1 558 . 1 1 53 53 PHE HA H 1 4.196 0.0 . 1 . . . . 665 PHE HA . 16293 1 559 . 1 1 53 53 PHE HB2 H 1 3.207 0.0 . 2 . . . . 665 PHE HB2 . 16293 1 560 . 1 1 53 53 PHE HD1 H 1 7.325 0.0 . 3 . . . . 665 PHE QD . 16293 1 561 . 1 1 53 53 PHE HD2 H 1 7.325 0.0 . 3 . . . . 665 PHE QD . 16293 1 562 . 1 1 53 53 PHE HE1 H 1 7.045 0.0 . 3 . . . . 665 PHE QE . 16293 1 563 . 1 1 53 53 PHE HE2 H 1 7.045 0.0 . 3 . . . . 665 PHE QE . 16293 1 564 . 1 1 53 53 PHE CA C 13 62.613 0.0 . 1 . . . . 665 PHE CA . 16293 1 565 . 1 1 53 53 PHE CB C 13 40.397 0.0 . 1 . . . . 665 PHE CB . 16293 1 566 . 1 1 53 53 PHE CD1 C 13 131.669 0.0 . 3 . . . . 665 PHE CD1 . 16293 1 567 . 1 1 53 53 PHE CE1 C 13 129.055 0.0 . 3 . . . . 665 PHE CE1 . 16293 1 568 . 1 1 54 54 ASP H H 1 9.0 0.0 . 1 . . . . 666 ASP H . 16293 1 569 . 1 1 54 54 ASP HA H 1 4.264 0.0 . 1 . . . . 666 ASP HA . 16293 1 570 . 1 1 54 54 ASP HB2 H 1 2.784 0.0 . 2 . . . . 666 ASP HB2 . 16293 1 571 . 1 1 54 54 ASP HB3 H 1 2.506 0.0 . 2 . . . . 666 ASP HB3 . 16293 1 572 . 1 1 54 54 ASP CA C 13 57.572 0.0 . 1 . . . . 666 ASP CA . 16293 1 573 . 1 1 54 54 ASP CB C 13 39.837 0.0 . 1 . . . . 666 ASP CB . 16293 1 574 . 1 1 55 55 GLN H H 1 7.619 0.0 . 1 . . . . 667 GLN H . 16293 1 575 . 1 1 55 55 GLN HA H 1 4.027 0.0 . 1 . . . . 667 GLN HA . 16293 1 576 . 1 1 55 55 GLN HB2 H 1 2.151 0.0 . 2 . . . . 667 GLN HB2 . 16293 1 577 . 1 1 55 55 GLN HE21 H 1 7.416 0.0 . 2 . . . . 667 GLN HE21 . 16293 1 578 . 1 1 55 55 GLN HE22 H 1 6.858 0.0 . 2 . . . . 667 GLN HE22 . 16293 1 579 . 1 1 55 55 GLN HG2 H 1 2.485 0.0 . 2 . . . . 667 GLN HG2 . 16293 1 580 . 1 1 55 55 GLN HG3 H 1 2.391 0.0 . 2 . . . . 667 GLN HG3 . 16293 1 581 . 1 1 55 55 GLN CA C 13 58.692 0.0 . 1 . . . . 667 GLN CA . 16293 1 582 . 1 1 55 55 GLN CB C 13 28.822 0.0 . 1 . . . . 667 GLN CB . 16293 1 583 . 1 1 55 55 GLN CG C 13 34.05 0.0 . 1 . . . . 667 GLN CG . 16293 1 584 . 1 1 56 56 TYR H H 1 8.525 0.0 . 1 . . . . 668 TYR H . 16293 1 585 . 1 1 56 56 TYR HA H 1 4.095 0.0 . 1 . . . . 668 TYR HA . 16293 1 586 . 1 1 56 56 TYR HB2 H 1 3.286 0.0 . 2 . . . . 668 TYR HB2 . 16293 1 587 . 1 1 56 56 TYR HB3 H 1 2.86 0.0 . 2 . . . . 668 TYR HB3 . 16293 1 588 . 1 1 56 56 TYR HD1 H 1 6.737 0.0 . 3 . . . . 668 TYR QD . 16293 1 589 . 1 1 56 56 TYR HD2 H 1 6.737 0.0 . 3 . . . . 668 TYR QD . 16293 1 590 . 1 1 56 56 TYR HE1 H 1 6.404 0.0 . 3 . . . . 668 TYR QE . 16293 1 591 . 1 1 56 56 TYR HE2 H 1 6.404 0.0 . 3 . . . . 668 TYR QE . 16293 1 592 . 1 1 56 56 TYR CA C 13 61.306 0.0 . 1 . . . . 668 TYR CA . 16293 1 593 . 1 1 56 56 TYR CB C 13 39.277 0.0 . 1 . . . . 668 TYR CB . 16293 1 594 . 1 1 56 56 TYR CD1 C 13 132.416 0.0 . 3 . . . . 668 TYR CD1 . 16293 1 595 . 1 1 56 56 TYR CE1 C 13 117.481 0.0 . 3 . . . . 668 TYR CE1 . 16293 1 596 . 1 1 57 57 VAL H H 1 8.518 0.0 . 1 . . . . 669 VAL H . 16293 1 597 . 1 1 57 57 VAL HA H 1 3.076 0.0 . 1 . . . . 669 VAL HA . 16293 1 598 . 1 1 57 57 VAL HB H 1 1.889 0.0 . 1 . . . . 669 VAL HB . 16293 1 599 . 1 1 57 57 VAL HG11 H 1 0.647 0.0 . 2 . . . . 669 VAL HG1 . 16293 1 600 . 1 1 57 57 VAL HG12 H 1 0.647 0.0 . 2 . . . . 669 VAL HG1 . 16293 1 601 . 1 1 57 57 VAL HG13 H 1 0.647 0.0 . 2 . . . . 669 VAL HG1 . 16293 1 602 . 1 1 57 57 VAL HG21 H 1 0.51 0.0 . 2 . . . . 669 VAL HG2 . 16293 1 603 . 1 1 57 57 VAL HG22 H 1 0.51 0.0 . 2 . . . . 669 VAL HG2 . 16293 1 604 . 1 1 57 57 VAL HG23 H 1 0.51 0.0 . 2 . . . . 669 VAL HG2 . 16293 1 605 . 1 1 57 57 VAL CA C 13 66.72 0.0 . 1 . . . . 669 VAL CA . 16293 1 606 . 1 1 57 57 VAL CB C 13 31.788 0.0 . 1 . . . . 669 VAL CB . 16293 1 607 . 1 1 57 57 VAL CG1 C 13 21.542 0.0 . 2 . . . . 669 VAL CG1 . 16293 1 608 . 1 1 57 57 VAL CG2 C 13 22.288 0.0 . 2 . . . . 669 VAL CG2 . 16293 1 609 . 1 1 58 58 LYS H H 1 7.401 0.0 . 1 . . . . 670 LYS H . 16293 1 610 . 1 1 58 58 LYS HA H 1 3.991 0.0 . 1 . . . . 670 LYS HA . 16293 1 611 . 1 1 58 58 LYS HB2 H 1 1.823 0.0 . 2 . . . . 670 LYS HB2 . 16293 1 612 . 1 1 58 58 LYS HD2 H 1 1.584 0.0 . 2 . . . . 670 LYS HD2 . 16293 1 613 . 1 1 58 58 LYS HE2 H 1 2.884 0.0 . 2 . . . . 670 LYS HE2 . 16293 1 614 . 1 1 58 58 LYS HG2 H 1 1.447 0.0 . 2 . . . . 670 LYS HG2 . 16293 1 615 . 1 1 58 58 LYS HG3 H 1 1.312 0.0 . 2 . . . . 670 LYS HG3 . 16293 1 616 . 1 1 58 58 LYS CA C 13 58.505 0.0 . 1 . . . . 670 LYS CA . 16293 1 617 . 1 1 58 58 LYS CB C 13 32.929 0.0 . 1 . . . . 670 LYS CB . 16293 1 618 . 1 1 58 58 LYS CD C 13 29.569 0.0 . 1 . . . . 670 LYS CD . 16293 1 619 . 1 1 58 58 LYS CE C 13 42.264 0.0 . 1 . . . . 670 LYS CE . 16293 1 620 . 1 1 58 58 LYS CG C 13 25.462 0.0 . 1 . . . . 670 LYS CG . 16293 1 621 . 1 1 59 59 THR H H 1 7.976 0.0 . 1 . . . . 671 THR H . 16293 1 622 . 1 1 59 59 THR HA H 1 3.96 0.0 . 1 . . . . 671 THR HA . 16293 1 623 . 1 1 59 59 THR HB H 1 4.107 0.0 . 1 . . . . 671 THR HB . 16293 1 624 . 1 1 59 59 THR HG21 H 1 1.154 0.0 . 1 . . . . 671 THR HG2 . 16293 1 625 . 1 1 59 59 THR HG22 H 1 1.154 0.0 . 1 . . . . 671 THR HG2 . 16293 1 626 . 1 1 59 59 THR HG23 H 1 1.154 0.0 . 1 . . . . 671 THR HG2 . 16293 1 627 . 1 1 59 59 THR CA C 13 65.599 0.0 . 1 . . . . 671 THR CA . 16293 1 628 . 1 1 59 59 THR CB C 13 69.327 0.0 . 1 . . . . 671 THR CB . 16293 1 629 . 1 1 59 59 THR CG2 C 13 22.102 0.0 . 1 . . . . 671 THR CG2 . 16293 1 630 . 1 1 60 60 ARG H H 1 8.262 0.0 . 1 . . . . 672 ARG H . 16293 1 631 . 1 1 60 60 ARG HA H 1 3.889 0.0 . 1 . . . . 672 ARG HA . 16293 1 632 . 1 1 60 60 ARG HB2 H 1 1.354 0.0 . 2 . . . . 672 ARG HB2 . 16293 1 633 . 1 1 60 60 ARG HB3 H 1 1.185 0.0 . 2 . . . . 672 ARG HB3 . 16293 1 634 . 1 1 60 60 ARG HD2 H 1 2.961 0.0 . 2 . . . . 672 ARG HD2 . 16293 1 635 . 1 1 60 60 ARG HD3 H 1 2.79 0.0 . 2 . . . . 672 ARG HD3 . 16293 1 636 . 1 1 60 60 ARG HE H 1 7.128 0.0 . 1 . . . . 672 ARG HE . 16293 1 637 . 1 1 60 60 ARG HG2 H 1 1.16 0.0 . 2 . . . . 672 ARG HG2 . 16293 1 638 . 1 1 60 60 ARG HG3 H 1 1.006 0.0 . 2 . . . . 672 ARG HG3 . 16293 1 639 . 1 1 60 60 ARG CA C 13 57.572 0.0 . 1 . . . . 672 ARG CA . 16293 1 640 . 1 1 60 60 ARG CB C 13 29.584 0.0 . 1 . . . . 672 ARG CB . 16293 1 641 . 1 1 60 60 ARG CD C 13 42.456 0.0 . 1 . . . . 672 ARG CD . 16293 1 642 . 1 1 60 60 ARG CG C 13 26.582 0.0 . 1 . . . . 672 ARG CG . 16293 1 643 . 1 1 61 61 ALA H H 1 7.955 0.0 . 1 . . . . 673 ALA H . 16293 1 644 . 1 1 61 61 ALA HA H 1 3.816 0.0 . 1 . . . . 673 ALA HA . 16293 1 645 . 1 1 61 61 ALA HB1 H 1 1.264 0.0 . 1 . . . . 673 ALA HB . 16293 1 646 . 1 1 61 61 ALA HB2 H 1 1.264 0.0 . 1 . . . . 673 ALA HB . 16293 1 647 . 1 1 61 61 ALA HB3 H 1 1.264 0.0 . 1 . . . . 673 ALA HB . 16293 1 648 . 1 1 61 61 ALA CA C 13 55.332 0.0 . 1 . . . . 673 ALA CA . 16293 1 649 . 1 1 61 61 ALA CB C 13 18.566 0.0 . 1 . . . . 673 ALA CB . 16293 1 650 . 1 1 62 62 GLU H H 1 7.286 0.0 . 1 . . . . 674 GLU H . 16293 1 651 . 1 1 62 62 GLU HA H 1 4.029 0.0 . 1 . . . . 674 GLU HA . 16293 1 652 . 1 1 62 62 GLU HB2 H 1 2.08 0.0 . 2 . . . . 674 GLU HB2 . 16293 1 653 . 1 1 62 62 GLU HB3 H 1 1.994 0.0 . 2 . . . . 674 GLU HB3 . 16293 1 654 . 1 1 62 62 GLU HG2 H 1 2.323 0.0 . 2 . . . . 674 GLU HG2 . 16293 1 655 . 1 1 62 62 GLU HG3 H 1 2.216 0.0 . 2 . . . . 674 GLU HG3 . 16293 1 656 . 1 1 62 62 GLU CA C 13 58.692 0.0 . 1 . . . . 674 GLU CA . 16293 1 657 . 1 1 62 62 GLU CB C 13 29.575 0.0 . 1 . . . . 674 GLU CB . 16293 1 658 . 1 1 62 62 GLU CG C 13 36.476 0.0 . 1 . . . . 674 GLU CG . 16293 1 659 . 1 1 63 63 GLU H H 1 7.851 0.0 . 1 . . . . 675 GLU H . 16293 1 660 . 1 1 63 63 GLU HA H 1 4.031 0.0 . 1 . . . . 675 GLU HA . 16293 1 661 . 1 1 63 63 GLU HB2 H 1 2.031 0.0 . 2 . . . . 675 GLU HB2 . 16293 1 662 . 1 1 63 63 GLU HG2 H 1 2.338 0.0 . 2 . . . . 675 GLU HG2 . 16293 1 663 . 1 1 63 63 GLU HG3 H 1 2.197 0.0 . 2 . . . . 675 GLU HG3 . 16293 1 664 . 1 1 63 63 GLU CA C 13 58.879 0.0 . 1 . . . . 675 GLU CA . 16293 1 665 . 1 1 63 63 GLU CB C 13 30.316 0.0 . 1 . . . . 675 GLU CB . 16293 1 666 . 1 1 63 63 GLU CG C 13 36.663 0.0 . 1 . . . . 675 GLU CG . 16293 1 667 . 1 1 64 64 GLU H H 1 8.266 0.0 . 1 . . . . 676 GLU H . 16293 1 668 . 1 1 64 64 GLU HA H 1 4.026 0.0 . 1 . . . . 676 GLU HA . 16293 1 669 . 1 1 64 64 GLU HB2 H 1 2.19 0.0 . 2 . . . . 676 GLU HB2 . 16293 1 670 . 1 1 64 64 GLU HB3 H 1 2.052 0.0 . 2 . . . . 676 GLU HB3 . 16293 1 671 . 1 1 64 64 GLU HG2 H 1 2.335 0.0 . 2 . . . . 676 GLU HG2 . 16293 1 672 . 1 1 64 64 GLU HG3 H 1 2.203 0.0 . 2 . . . . 676 GLU HG3 . 16293 1 673 . 1 1 64 64 GLU CA C 13 58.879 0.0 . 1 . . . . 676 GLU CA . 16293 1 674 . 1 1 64 64 GLU CB C 13 30.135 0.0 . 1 . . . . 676 GLU CB . 16293 1 675 . 1 1 64 64 GLU CG C 13 36.669 0.0 . 1 . . . . 676 GLU CG . 16293 1 676 . 1 1 65 65 ARG H H 1 7.906 0.0 . 1 . . . . 677 ARG H . 16293 1 677 . 1 1 65 65 ARG HA H 1 4.093 0.0 . 1 . . . . 677 ARG HA . 16293 1 678 . 1 1 65 65 ARG HB2 H 1 1.948 0.0 . 2 . . . . 677 ARG HB2 . 16293 1 679 . 1 1 65 65 ARG HB3 H 1 1.862 0.0 . 2 . . . . 677 ARG HB3 . 16293 1 680 . 1 1 65 65 ARG HD2 H 1 3.145 0.0 . 2 . . . . 677 ARG HD2 . 16293 1 681 . 1 1 65 65 ARG HG2 H 1 1.725 0.0 . 2 . . . . 677 ARG HG2 . 16293 1 682 . 1 1 65 65 ARG HG3 H 1 1.579 0.0 . 2 . . . . 677 ARG HG3 . 16293 1 683 . 1 1 65 65 ARG CA C 13 58.132 0.0 . 1 . . . . 677 ARG CA . 16293 1 684 . 1 1 65 65 ARG CB C 13 30.695 0.0 . 1 . . . . 677 ARG CB . 16293 1 685 . 1 1 65 65 ARG CD C 13 43.757 0.0 . 1 . . . . 677 ARG CD . 16293 1 686 . 1 1 65 65 ARG CG C 13 28.081 0.0 . 1 . . . . 677 ARG CG . 16293 1 687 . 1 1 66 66 ARG H H 1 7.801 0.0 . 1 . . . . 678 ARG H . 16293 1 688 . 1 1 66 66 ARG HA H 1 4.094 0.0 . 1 . . . . 678 ARG HA . 16293 1 689 . 1 1 66 66 ARG HB2 H 1 1.824 0.0 . 2 . . . . 678 ARG HB2 . 16293 1 690 . 1 1 66 66 ARG HD2 H 1 3.139 0.0 . 2 . . . . 678 ARG HD2 . 16293 1 691 . 1 1 66 66 ARG HG2 H 1 1.684 0.0 . 2 . . . . 678 ARG HG2 . 16293 1 692 . 1 1 66 66 ARG HG3 H 1 1.565 0.0 . 2 . . . . 678 ARG HG3 . 16293 1 693 . 1 1 66 66 ARG CA C 13 57.759 0.0 . 1 . . . . 678 ARG CA . 16293 1 694 . 1 1 66 66 ARG CB C 13 31.063 0.0 . 1 . . . . 678 ARG CB . 16293 1 695 . 1 1 66 66 ARG CD C 13 43.757 0.0 . 1 . . . . 678 ARG CD . 16293 1 696 . 1 1 66 66 ARG CG C 13 28.081 0.0 . 1 . . . . 678 ARG CG . 16293 1 697 . 1 1 67 67 GLU H H 1 8.092 0.0 . 1 . . . . 679 GLU H . 16293 1 698 . 1 1 67 67 GLU HA H 1 4.11 0.0 . 1 . . . . 679 GLU HA . 16293 1 699 . 1 1 67 67 GLU HB2 H 1 1.98 0.0 . 2 . . . . 679 GLU HB2 . 16293 1 700 . 1 1 67 67 GLU HG2 H 1 2.315 0.0 . 2 . . . . 679 GLU HG2 . 16293 1 701 . 1 1 67 67 GLU HG3 H 1 2.208 0.0 . 2 . . . . 679 GLU HG3 . 16293 1 702 . 1 1 67 67 GLU CA C 13 57.385 0.0 . 1 . . . . 679 GLU CA . 16293 1 703 . 1 1 67 67 GLU CB C 13 30.135 0.0 . 1 . . . . 679 GLU CB . 16293 1 704 . 1 1 67 67 GLU CG C 13 36.482 0.0 . 1 . . . . 679 GLU CG . 16293 1 705 . 1 1 68 68 LYS H H 1 8.075 0.0 . 1 . . . . 680 LYS H . 16293 1 706 . 1 1 68 68 LYS HA H 1 4.198 0.0 . 1 . . . . 680 LYS HA . 16293 1 707 . 1 1 68 68 LYS HB2 H 1 1.778 0.0 . 2 . . . . 680 LYS HB2 . 16293 1 708 . 1 1 68 68 LYS HD2 H 1 1.605 0.0 . 2 . . . . 680 LYS HD2 . 16293 1 709 . 1 1 68 68 LYS HE2 H 1 2.924 0.0 . 2 . . . . 680 LYS HE2 . 16293 1 710 . 1 1 68 68 LYS HG2 H 1 1.439 0.0 . 2 . . . . 680 LYS HG2 . 16293 1 711 . 1 1 68 68 LYS CA C 13 56.825 0.0 . 1 . . . . 680 LYS CA . 16293 1 712 . 1 1 68 68 LYS CB C 13 32.929 0.0 . 1 . . . . 680 LYS CB . 16293 1 713 . 1 1 68 68 LYS CD C 13 29.196 0.0 . 1 . . . . 680 LYS CD . 16293 1 714 . 1 1 68 68 LYS CG C 13 25.275 0.0 . 1 . . . . 680 LYS CG . 16293 1 715 . 1 1 69 69 LYS H H 1 8.13 0.0 . 1 . . . . 681 LYS H . 16293 1 716 . 1 1 69 69 LYS HA H 1 4.222 0.0 . 1 . . . . 681 LYS HA . 16293 1 717 . 1 1 69 69 LYS HB2 H 1 1.775 0.0 . 2 . . . . 681 LYS HB2 . 16293 1 718 . 1 1 69 69 LYS HD2 H 1 1.605 0.0 . 2 . . . . 681 LYS HD2 . 16293 1 719 . 1 1 69 69 LYS HE2 H 1 2.929 0.0 . 2 . . . . 681 LYS HE2 . 16293 1 720 . 1 1 69 69 LYS HG2 H 1 1.387 0.0 . 2 . . . . 681 LYS HG2 . 16293 1 721 . 1 1 69 69 LYS CA C 13 56.639 0.0 . 1 . . . . 681 LYS CA . 16293 1 722 . 1 1 69 69 LYS CB C 13 33.303 0.0 . 1 . . . . 681 LYS CB . 16293 1 723 . 1 1 69 69 LYS CD C 13 29.382 0.0 . 1 . . . . 681 LYS CD . 16293 1 724 . 1 1 69 69 LYS CG C 13 25.089 0.0 . 1 . . . . 681 LYS CG . 16293 1 725 . 1 1 70 70 ASN H H 1 8.334 0.0 . 1 . . . . 682 ASN H . 16293 1 726 . 1 1 70 70 ASN HA H 1 4.638 0.0 . 1 . . . . 682 ASN HA . 16293 1 727 . 1 1 70 70 ASN HB2 H 1 2.778 0.0 . 2 . . . . 682 ASN HB2 . 16293 1 728 . 1 1 70 70 ASN HB3 H 1 2.687 0.0 . 2 . . . . 682 ASN HB3 . 16293 1 729 . 1 1 70 70 ASN HD21 H 1 7.604 0.0 . 2 . . . . 682 ASN HD21 . 16293 1 730 . 1 1 70 70 ASN CA C 13 53.465 0.0 . 1 . . . . 682 ASN CA . 16293 1 731 . 1 1 70 70 ASN CB C 13 39.277 0.0 . 1 . . . . 682 ASN CB . 16293 1 732 . 1 1 71 71 LYS H H 1 7.818 0.0 . 1 . . . . 683 LYS H . 16293 1 733 . 1 1 71 71 LYS HA H 1 4.048 0.0 . 1 . . . . 683 LYS HA . 16293 1 734 . 1 1 71 71 LYS HB2 H 1 1.744 0.0 . 2 . . . . 683 LYS HB2 . 16293 1 735 . 1 1 71 71 LYS HB3 H 1 1.651 0.0 . 1 . . . . 683 LYS HB3 . 16293 1 736 . 1 1 71 71 LYS CB C 13 34.055 0.0 . 1 . . . . 683 LYS CB . 16293 1 stop_ save_ save_assigned_chem_shift_list_N _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_N _Assigned_chem_shift_list.Entry_ID 16293 _Assigned_chem_shift_list.ID 2 _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 '3D CBCA(CO)NH' . . . 16293 2 2 '3D HNCACB' . . . 16293 2 3 '3D 1H-15N NOESY' . . . 16293 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Aria . . 16293 2 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 ALA HA H 1 4.3 0.0 . 1 . . . . 614 ALA HA . 16293 2 2 . 1 1 2 2 ALA HB1 H 1 1.33 0.0 . 1 . . . . 614 ALA HB . 16293 2 3 . 1 1 2 2 ALA HB2 H 1 1.33 0.0 . 1 . . . . 614 ALA HB . 16293 2 4 . 1 1 2 2 ALA HB3 H 1 1.33 0.0 . 1 . . . . 614 ALA HB . 16293 2 5 . 1 1 3 3 MET H H 1 8.561 0.0 . 1 . . . . 615 MET H . 16293 2 6 . 1 1 3 3 MET HA H 1 4.395 0.0 . 1 . . . . 615 MET HA . 16293 2 7 . 1 1 3 3 MET HG2 H 1 2.007 0.0 . 2 . . . . 615 MET HG2 . 16293 2 8 . 1 1 3 3 MET N N 15 120.395 0.0 . 1 . . . . 615 MET N . 16293 2 9 . 1 1 4 4 GLY H H 1 8.499 0.0 . 1 . . . . 616 GLY H . 16293 2 10 . 1 1 4 4 GLY HA2 H 1 3.972 0.0 . 2 . . . . 616 GLY HA1 . 16293 2 11 . 1 1 4 4 GLY N N 15 110.0 0.0 . 1 . . . . 616 GLY N . 16293 2 12 . 1 1 5 5 SER H H 1 8.467 0.0 . 1 . . . . 617 SER H . 16293 2 13 . 1 1 5 5 SER HA H 1 4.362 0.0 . 1 . . . . 617 SER HA . 16293 2 14 . 1 1 5 5 SER HB2 H 1 4.246 0.0 . 2 . . . . 617 SER HB2 . 16293 2 15 . 1 1 5 5 SER HB3 H 1 3.997 0.0 . 2 . . . . 617 SER HB3 . 16293 2 16 . 1 1 5 5 SER N N 15 117.949 0.0 . 1 . . . . 617 SER N . 16293 2 17 . 1 1 6 6 LEU H H 1 8.786 0.0 . 1 . . . . 618 LEU H . 16293 2 18 . 1 1 6 6 LEU HA H 1 3.944 0.0 . 1 . . . . 618 LEU HA . 16293 2 19 . 1 1 6 6 LEU HB2 H 1 1.739 0.0 . 2 . . . . 618 LEU HB2 . 16293 2 20 . 1 1 6 6 LEU HD11 H 1 0.856 0.0 . 2 . . . . 618 LEU HD1 . 16293 2 21 . 1 1 6 6 LEU HD12 H 1 0.856 0.0 . 2 . . . . 618 LEU HD1 . 16293 2 22 . 1 1 6 6 LEU HD13 H 1 0.856 0.0 . 2 . . . . 618 LEU HD1 . 16293 2 23 . 1 1 6 6 LEU HD21 H 1 0.802 0.0 . 2 . . . . 618 LEU HD2 . 16293 2 24 . 1 1 6 6 LEU HD22 H 1 0.802 0.0 . 2 . . . . 618 LEU HD2 . 16293 2 25 . 1 1 6 6 LEU HD23 H 1 0.802 0.0 . 2 . . . . 618 LEU HD2 . 16293 2 26 . 1 1 6 6 LEU HG H 1 1.483 0.0 . 1 . . . . 618 LEU HG . 16293 2 27 . 1 1 6 6 LEU N N 15 124.471 0.0 . 1 . . . . 618 LEU N . 16293 2 28 . 1 1 7 7 GLU H H 1 8.702 0.0 . 1 . . . . 619 GLU H . 16293 2 29 . 1 1 7 7 GLU HA H 1 3.839 0.0 . 1 . . . . 619 GLU HA . 16293 2 30 . 1 1 7 7 GLU HB2 H 1 1.983 0.0 . 2 . . . . 619 GLU HB2 . 16293 2 31 . 1 1 7 7 GLU HB3 H 1 1.864 0.0 . 2 . . . . 619 GLU HB3 . 16293 2 32 . 1 1 7 7 GLU HG2 H 1 2.247 0.0 . 2 . . . . 619 GLU HG2 . 16293 2 33 . 1 1 7 7 GLU N N 15 118.153 0.0 . 1 . . . . 619 GLU N . 16293 2 34 . 1 1 8 8 ALA H H 1 7.933 0.0 . 1 . . . . 620 ALA H . 16293 2 35 . 1 1 8 8 ALA HA H 1 4.131 0.0 . 1 . . . . 620 ALA HA . 16293 2 36 . 1 1 8 8 ALA HB1 H 1 1.451 0.0 . 1 . . . . 620 ALA HB . 16293 2 37 . 1 1 8 8 ALA HB2 H 1 1.451 0.0 . 1 . . . . 620 ALA HB . 16293 2 38 . 1 1 8 8 ALA HB3 H 1 1.451 0.0 . 1 . . . . 620 ALA HB . 16293 2 39 . 1 1 8 8 ALA N N 15 123.248 0.0 . 1 . . . . 620 ALA N . 16293 2 40 . 1 1 9 9 ARG H H 1 8.371 0.0 . 1 . . . . 621 ARG H . 16293 2 41 . 1 1 9 9 ARG HA H 1 4.047 0.0 . 1 . . . . 621 ARG HA . 16293 2 42 . 1 1 9 9 ARG HB2 H 1 1.947 0.0 . 2 . . . . 621 ARG HB2 . 16293 2 43 . 1 1 9 9 ARG HB3 H 1 1.845 0.0 . 2 . . . . 621 ARG HB3 . 16293 2 44 . 1 1 9 9 ARG HD2 H 1 3.484 0.0 . 2 . . . . 621 ARG HD2 . 16293 2 45 . 1 1 9 9 ARG HD3 H 1 3.324 0.0 . 2 . . . . 621 ARG HD3 . 16293 2 46 . 1 1 9 9 ARG HE H 1 6.407 0.0 . 1 . . . . 621 ARG HE . 16293 2 47 . 1 1 9 9 ARG HG2 H 1 1.631 0.0 . 2 . . . . 621 ARG HG2 . 16293 2 48 . 1 1 9 9 ARG HG3 H 1 1.569 0.0 . 2 . . . . 621 ARG HG3 . 16293 2 49 . 1 1 9 9 ARG N N 15 120.395 0.0 . 1 . . . . 621 ARG N . 16293 2 50 . 1 1 9 9 ARG NE N 15 109.796 0.0 . 1 . . . . 621 ARG NE . 16293 2 51 . 1 1 10 10 MET H H 1 8.967 0.0 . 1 . . . . 622 MET H . 16293 2 52 . 1 1 10 10 MET HA H 1 3.954 0.0 . 1 . . . . 622 MET HA . 16293 2 53 . 1 1 10 10 MET HB2 H 1 2.111 0.0 . 2 . . . . 622 MET HB2 . 16293 2 54 . 1 1 10 10 MET HB3 H 1 1.986 0.0 . 2 . . . . 622 MET HB3 . 16293 2 55 . 1 1 10 10 MET HG2 H 1 2.834 0.0 . 2 . . . . 622 MET HG2 . 16293 2 56 . 1 1 10 10 MET N N 15 118.764 0.0 . 1 . . . . 622 MET N . 16293 2 57 . 1 1 11 11 LYS H H 1 7.75 0.0 . 1 . . . . 623 LYS H . 16293 2 58 . 1 1 11 11 LYS HA H 1 4.009 0.0 . 1 . . . . 623 LYS HA . 16293 2 59 . 1 1 11 11 LYS HB2 H 1 1.977 0.0 . 2 . . . . 623 LYS HB2 . 16293 2 60 . 1 1 11 11 LYS HG2 H 1 1.419 0.0 . 2 . . . . 623 LYS HG2 . 16293 2 61 . 1 1 11 11 LYS N N 15 120.802 0.0 . 1 . . . . 623 LYS N . 16293 2 62 . 1 1 12 12 GLN H H 1 7.812 0.0 . 1 . . . . 624 GLN H . 16293 2 63 . 1 1 12 12 GLN HA H 1 4.113 0.0 . 1 . . . . 624 GLN HA . 16293 2 64 . 1 1 12 12 GLN HB2 H 1 2.207 0.0 . 2 . . . . 624 GLN HB2 . 16293 2 65 . 1 1 12 12 GLN HB3 H 1 1.837 0.0 . 2 . . . . 624 GLN HB3 . 16293 2 66 . 1 1 12 12 GLN HE21 H 1 7.198 0.0 . 2 . . . . 624 GLN HE21 . 16293 2 67 . 1 1 12 12 GLN HE22 H 1 6.842 0.0 . 2 . . . . 624 GLN HE22 . 16293 2 68 . 1 1 12 12 GLN HG2 H 1 2.533 0.0 . 2 . . . . 624 GLN HG2 . 16293 2 69 . 1 1 12 12 GLN HG3 H 1 2.315 0.0 . 2 . . . . 624 GLN HG3 . 16293 2 70 . 1 1 12 12 GLN N N 15 117.541 0.0 . 1 . . . . 624 GLN N . 16293 2 71 . 1 1 12 12 GLN NE2 N 15 111.019 0.0 . 1 . . . . 624 GLN NE2 . 16293 2 72 . 1 1 13 13 PHE H H 1 8.268 0.0 . 1 . . . . 625 PHE H . 16293 2 73 . 1 1 13 13 PHE HA H 1 3.813 0.0 . 1 . . . . 625 PHE HA . 16293 2 74 . 1 1 13 13 PHE HB2 H 1 3.231 0.0 . 2 . . . . 625 PHE HB2 . 16293 2 75 . 1 1 13 13 PHE HB3 H 1 2.936 0.0 . 2 . . . . 625 PHE HB3 . 16293 2 76 . 1 1 13 13 PHE HD1 H 1 7.18 0.0 . 3 . . . . 625 PHE QD . 16293 2 77 . 1 1 13 13 PHE HD2 H 1 7.18 0.0 . 3 . . . . 625 PHE QD . 16293 2 78 . 1 1 13 13 PHE HE1 H 1 7.366 0.0 . 3 . . . . 625 PHE QE . 16293 2 79 . 1 1 13 13 PHE HE2 H 1 7.366 0.0 . 3 . . . . 625 PHE QE . 16293 2 80 . 1 1 13 13 PHE HZ H 1 7.261 0.0 . 1 . . . . 625 PHE HZ . 16293 2 81 . 1 1 13 13 PHE N N 15 120.395 0.0 . 1 . . . . 625 PHE N . 16293 2 82 . 1 1 14 14 LYS H H 1 8.51 0.0 . 1 . . . . 626 LYS H . 16293 2 83 . 1 1 14 14 LYS HA H 1 3.637 0.0 . 1 . . . . 626 LYS HA . 16293 2 84 . 1 1 14 14 LYS HB2 H 1 2.072 0.0 . 2 . . . . 626 LYS HB2 . 16293 2 85 . 1 1 14 14 LYS HB3 H 1 1.939 0.0 . 2 . . . . 626 LYS HB3 . 16293 2 86 . 1 1 14 14 LYS HD2 H 1 1.753 0.0 . 2 . . . . 626 LYS HD2 . 16293 2 87 . 1 1 14 14 LYS HE2 H 1 2.959 0.0 . 2 . . . . 626 LYS HE2 . 16293 2 88 . 1 1 14 14 LYS HG2 H 1 1.55 0.0 . 2 . . . . 626 LYS HG2 . 16293 2 89 . 1 1 14 14 LYS N N 15 120.395 0.0 . 1 . . . . 626 LYS N . 16293 2 90 . 1 1 15 15 ASP H H 1 8.594 0.0 . 1 . . . . 627 ASP H . 16293 2 91 . 1 1 15 15 ASP HA H 1 4.299 0.0 . 1 . . . . 627 ASP HA . 16293 2 92 . 1 1 15 15 ASP HB2 H 1 2.856 0.0 . 2 . . . . 627 ASP HB2 . 16293 2 93 . 1 1 15 15 ASP HB3 H 1 2.555 0.0 . 2 . . . . 627 ASP HB3 . 16293 2 94 . 1 1 15 15 ASP N N 15 120.851 0.0 . 1 . . . . 627 ASP N . 16293 2 95 . 1 1 16 16 MET H H 1 7.744 0.0 . 1 . . . . 628 MET H . 16293 2 96 . 1 1 16 16 MET HA H 1 3.651 0.0 . 1 . . . . 628 MET HA . 16293 2 97 . 1 1 16 16 MET HB2 H 1 2.366 0.0 . 2 . . . . 628 MET HB2 . 16293 2 98 . 1 1 16 16 MET HB3 H 1 1.53 0.0 . 2 . . . . 628 MET HB3 . 16293 2 99 . 1 1 16 16 MET HE1 H 1 1.036 0.0 . 1 . . . . 628 MET HE . 16293 2 100 . 1 1 16 16 MET HE2 H 1 1.036 0.0 . 1 . . . . 628 MET HE . 16293 2 101 . 1 1 16 16 MET HE3 H 1 1.036 0.0 . 1 . . . . 628 MET HE . 16293 2 102 . 1 1 16 16 MET HG2 H 1 2.307 0.0 . 2 . . . . 628 MET HG2 . 16293 2 103 . 1 1 16 16 MET HG3 H 1 1.828 0.0 . 2 . . . . 628 MET HG3 . 16293 2 104 . 1 1 16 16 MET N N 15 121.21 0.0 . 1 . . . . 628 MET N . 16293 2 105 . 1 1 17 17 LEU H H 1 7.527 0.0 . 1 . . . . 629 LEU H . 16293 2 106 . 1 1 17 17 LEU HA H 1 3.334 0.0 . 1 . . . . 629 LEU HA . 16293 2 107 . 1 1 17 17 LEU HB2 H 1 1.435 0.0 . 2 . . . . 629 LEU HB2 . 16293 2 108 . 1 1 17 17 LEU HD11 H 1 0.641 0.0 . 2 . . . . 629 LEU HD1 . 16293 2 109 . 1 1 17 17 LEU HD12 H 1 0.641 0.0 . 2 . . . . 629 LEU HD1 . 16293 2 110 . 1 1 17 17 LEU HD13 H 1 0.641 0.0 . 2 . . . . 629 LEU HD1 . 16293 2 111 . 1 1 17 17 LEU HD21 H 1 0.028 0.0 . 2 . . . . 629 LEU HD2 . 16293 2 112 . 1 1 17 17 LEU HD22 H 1 0.028 0.0 . 2 . . . . 629 LEU HD2 . 16293 2 113 . 1 1 17 17 LEU HD23 H 1 0.028 0.0 . 2 . . . . 629 LEU HD2 . 16293 2 114 . 1 1 17 17 LEU HG H 1 1.837 0.0 . 1 . . . . 629 LEU HG . 16293 2 115 . 1 1 17 17 LEU N N 15 118.153 0.0 . 1 . . . . 629 LEU N . 16293 2 116 . 1 1 18 18 LEU H H 1 6.955 0.0 . 1 . . . . 630 LEU H . 16293 2 117 . 1 1 18 18 LEU HA H 1 4.358 0.0 . 1 . . . . 630 LEU HA . 16293 2 118 . 1 1 18 18 LEU HB2 H 1 1.856 0.0 . 2 . . . . 630 LEU HB2 . 16293 2 119 . 1 1 18 18 LEU HD11 H 1 1.01 0.0 . 2 . . . . 630 LEU HD1 . 16293 2 120 . 1 1 18 18 LEU HD12 H 1 1.01 0.0 . 2 . . . . 630 LEU HD1 . 16293 2 121 . 1 1 18 18 LEU HD13 H 1 1.01 0.0 . 2 . . . . 630 LEU HD1 . 16293 2 122 . 1 1 18 18 LEU HD21 H 1 0.944 0.0 . 2 . . . . 630 LEU HD2 . 16293 2 123 . 1 1 18 18 LEU HD22 H 1 0.944 0.0 . 2 . . . . 630 LEU HD2 . 16293 2 124 . 1 1 18 18 LEU HD23 H 1 0.944 0.0 . 2 . . . . 630 LEU HD2 . 16293 2 125 . 1 1 18 18 LEU HG H 1 1.624 0.0 . 1 . . . . 630 LEU HG . 16293 2 126 . 1 1 18 18 LEU N N 15 117.083 0.0 . 1 . . . . 630 LEU N . 16293 2 127 . 1 1 19 19 GLU H H 1 8.53 0.0 . 1 . . . . 631 GLU H . 16293 2 128 . 1 1 19 19 GLU HA H 1 3.868 0.0 . 1 . . . . 631 GLU HA . 16293 2 129 . 1 1 19 19 GLU HB2 H 1 2.03 0.0 . 2 . . . . 631 GLU HB2 . 16293 2 130 . 1 1 19 19 GLU HB3 H 1 1.925 0.0 . 2 . . . . 631 GLU HB3 . 16293 2 131 . 1 1 19 19 GLU HG2 H 1 2.42 0.0 . 2 . . . . 631 GLU HG2 . 16293 2 132 . 1 1 19 19 GLU HG3 H 1 2.165 0.0 . 2 . . . . 631 GLU HG3 . 16293 2 133 . 1 1 19 19 GLU N N 15 121.414 0.0 . 1 . . . . 631 GLU N . 16293 2 134 . 1 1 20 20 ARG H H 1 8.374 0.0 . 1 . . . . 632 ARG H . 16293 2 135 . 1 1 20 20 ARG HA H 1 4.278 0.0 . 1 . . . . 632 ARG HA . 16293 2 136 . 1 1 20 20 ARG HB2 H 1 1.967 0.0 . 2 . . . . 632 ARG HB2 . 16293 2 137 . 1 1 20 20 ARG HB3 H 1 1.571 0.0 . 2 . . . . 632 ARG HB3 . 16293 2 138 . 1 1 20 20 ARG HD2 H 1 3.197 0.0 . 2 . . . . 632 ARG HD2 . 16293 2 139 . 1 1 20 20 ARG HE H 1 7.728 0.0 . 1 . . . . 632 ARG HE . 16293 2 140 . 1 1 20 20 ARG HG2 H 1 1.656 0.0 . 2 . . . . 632 ARG HG2 . 16293 2 141 . 1 1 20 20 ARG HG3 H 1 1.502 0.0 . 2 . . . . 632 ARG HG3 . 16293 2 142 . 1 1 20 20 ARG N N 15 113.465 0.0 . 1 . . . . 632 ARG N . 16293 2 143 . 1 1 20 20 ARG NE N 15 110.611 0.0 . 1 . . . . 632 ARG NE . 16293 2 144 . 1 1 21 21 GLY H H 1 7.675 0.0 . 1 . . . . 633 GLY H . 16293 2 145 . 1 1 21 21 GLY HA2 H 1 3.837 0.0 . 2 . . . . 633 GLY HA1 . 16293 2 146 . 1 1 21 21 GLY N N 15 107.554 0.0 . 1 . . . . 633 GLY N . 16293 2 147 . 1 1 22 22 VAL H H 1 8.096 0.0 . 1 . . . . 634 VAL H . 16293 2 148 . 1 1 22 22 VAL HA H 1 3.806 0.0 . 1 . . . . 634 VAL HA . 16293 2 149 . 1 1 22 22 VAL HB H 1 1.798 0.0 . 1 . . . . 634 VAL HB . 16293 2 150 . 1 1 22 22 VAL HG11 H 1 1.075 0.0 . 2 . . . . 634 VAL HG1 . 16293 2 151 . 1 1 22 22 VAL HG12 H 1 1.075 0.0 . 2 . . . . 634 VAL HG1 . 16293 2 152 . 1 1 22 22 VAL HG13 H 1 1.075 0.0 . 2 . . . . 634 VAL HG1 . 16293 2 153 . 1 1 22 22 VAL HG21 H 1 0.815 0.0 . 2 . . . . 634 VAL HG2 . 16293 2 154 . 1 1 22 22 VAL HG22 H 1 0.815 0.0 . 2 . . . . 634 VAL HG2 . 16293 2 155 . 1 1 22 22 VAL HG23 H 1 0.815 0.0 . 2 . . . . 634 VAL HG2 . 16293 2 156 . 1 1 22 22 VAL N N 15 121.414 0.0 . 1 . . . . 634 VAL N . 16293 2 157 . 1 1 23 23 SER H H 1 9.014 0.0 . 1 . . . . 635 SER H . 16293 2 158 . 1 1 23 23 SER HA H 1 4.494 0.0 . 1 . . . . 635 SER HA . 16293 2 159 . 1 1 23 23 SER HB2 H 1 3.9 0.0 . 2 . . . . 635 SER HB2 . 16293 2 160 . 1 1 23 23 SER HB3 H 1 3.58 0.0 . 2 . . . . 635 SER HB3 . 16293 2 161 . 1 1 23 23 SER N N 15 126.509 0.0 . 1 . . . . 635 SER N . 16293 2 162 . 1 1 24 24 ALA H H 1 8.919 0.0 . 1 . . . . 636 ALA H . 16293 2 163 . 1 1 24 24 ALA HA H 1 4.0 0.0 . 1 . . . . 636 ALA HA . 16293 2 164 . 1 1 24 24 ALA HB1 H 1 0.695 0.0 . 1 . . . . 636 ALA HB . 16293 2 165 . 1 1 24 24 ALA HB2 H 1 0.695 0.0 . 1 . . . . 636 ALA HB . 16293 2 166 . 1 1 24 24 ALA HB3 H 1 0.695 0.0 . 1 . . . . 636 ALA HB . 16293 2 167 . 1 1 24 24 ALA N N 15 126.713 0.0 . 1 . . . . 636 ALA N . 16293 2 168 . 1 1 25 25 PHE H H 1 8.12 0.0 . 1 . . . . 637 PHE H . 16293 2 169 . 1 1 25 25 PHE HA H 1 4.734 0.0 . 1 . . . . 637 PHE HA . 16293 2 170 . 1 1 25 25 PHE HB2 H 1 3.389 0.0 . 2 . . . . 637 PHE HB2 . 16293 2 171 . 1 1 25 25 PHE HB3 H 1 2.551 0.0 . 2 . . . . 637 PHE HB3 . 16293 2 172 . 1 1 25 25 PHE HD1 H 1 7.139 0.0 . 3 . . . . 637 PHE QD . 16293 2 173 . 1 1 25 25 PHE HD2 H 1 7.139 0.0 . 3 . . . . 637 PHE QD . 16293 2 174 . 1 1 25 25 PHE HE1 H 1 7.235 0.0 . 3 . . . . 637 PHE QE . 16293 2 175 . 1 1 25 25 PHE HE2 H 1 7.235 0.0 . 3 . . . . 637 PHE QE . 16293 2 176 . 1 1 25 25 PHE N N 15 117.541 0.0 . 1 . . . . 637 PHE N . 16293 2 177 . 1 1 26 26 SER H H 1 7.795 0.0 . 1 . . . . 638 SER H . 16293 2 178 . 1 1 26 26 SER HA H 1 4.829 0.0 . 1 . . . . 638 SER HA . 16293 2 179 . 1 1 26 26 SER HB2 H 1 3.744 0.0 . 2 . . . . 638 SER HB2 . 16293 2 180 . 1 1 26 26 SER HB3 H 1 3.55 0.0 . 2 . . . . 638 SER HB3 . 16293 2 181 . 1 1 26 26 SER N N 15 117.133 0.0 . 1 . . . . 638 SER N . 16293 2 182 . 1 1 27 27 THR H H 1 8.88 0.0 . 1 . . . . 639 THR H . 16293 2 183 . 1 1 27 27 THR HA H 1 4.935 0.0 . 1 . . . . 639 THR HA . 16293 2 184 . 1 1 27 27 THR HB H 1 4.639 0.0 . 1 . . . . 639 THR HB . 16293 2 185 . 1 1 27 27 THR HG21 H 1 1.288 0.0 . 1 . . . . 639 THR HG2 . 16293 2 186 . 1 1 27 27 THR HG22 H 1 1.288 0.0 . 1 . . . . 639 THR HG2 . 16293 2 187 . 1 1 27 27 THR HG23 H 1 1.288 0.0 . 1 . . . . 639 THR HG2 . 16293 2 188 . 1 1 27 27 THR N N 15 111.426 0.0 . 1 . . . . 639 THR N . 16293 2 189 . 1 1 28 28 TRP H H 1 9.317 0.0 . 1 . . . . 640 TRP H . 16293 2 190 . 1 1 28 28 TRP HA H 1 3.558 0.0 . 1 . . . . 640 TRP HA . 16293 2 191 . 1 1 28 28 TRP HB2 H 1 2.904 0.0 . 2 . . . . 640 TRP HB2 . 16293 2 192 . 1 1 28 28 TRP HD1 H 1 6.961 0.0 . 1 . . . . 640 TRP HD1 . 16293 2 193 . 1 1 28 28 TRP HE1 H 1 10.164 0.0 . 1 . . . . 640 TRP HE1 . 16293 2 194 . 1 1 28 28 TRP HE3 H 1 5.715 0.0 . 1 . . . . 640 TRP HE3 . 16293 2 195 . 1 1 28 28 TRP HZ2 H 1 7.633 0.0 . 1 . . . . 640 TRP HZ2 . 16293 2 196 . 1 1 28 28 TRP HZ3 H 1 6.549 0.0 . 1 . . . . 640 TRP HZ3 . 16293 2 197 . 1 1 28 28 TRP N N 15 123.452 0.0 . 1 . . . . 640 TRP N . 16293 2 198 . 1 1 28 28 TRP NE1 N 15 129.567 0.0 . 1 . . . . 640 TRP NE1 . 16293 2 199 . 1 1 29 29 GLU H H 1 8.823 0.0 . 1 . . . . 641 GLU H . 16293 2 200 . 1 1 29 29 GLU HA H 1 3.576 0.0 . 1 . . . . 641 GLU HA . 16293 2 201 . 1 1 29 29 GLU HB2 H 1 2.314 0.0 . 2 . . . . 641 GLU HB2 . 16293 2 202 . 1 1 29 29 GLU HG2 H 1 2.518 0.0 . 2 . . . . 641 GLU HG2 . 16293 2 203 . 1 1 29 29 GLU N N 15 113.668 0.0 . 1 . . . . 641 GLU N . 16293 2 204 . 1 1 30 30 LYS H H 1 7.661 0.0 . 1 . . . . 642 LYS H . 16293 2 205 . 1 1 30 30 LYS HA H 1 4.125 0.0 . 1 . . . . 642 LYS HA . 16293 2 206 . 1 1 30 30 LYS HB2 H 1 2.01 0.0 . 2 . . . . 642 LYS HB2 . 16293 2 207 . 1 1 30 30 LYS HB3 H 1 1.897 0.0 . 2 . . . . 642 LYS HB3 . 16293 2 208 . 1 1 30 30 LYS HD2 H 1 1.727 0.0 . 2 . . . . 642 LYS HD2 . 16293 2 209 . 1 1 30 30 LYS HG2 H 1 1.5 0.0 . 2 . . . . 642 LYS HG2 . 16293 2 210 . 1 1 30 30 LYS HG3 H 1 1.412 0.0 . 2 . . . . 642 LYS HG3 . 16293 2 211 . 1 1 30 30 LYS N N 15 118.56 0.0 . 1 . . . . 642 LYS N . 16293 2 212 . 1 1 31 31 GLU H H 1 7.735 0.0 . 1 . . . . 643 GLU H . 16293 2 213 . 1 1 31 31 GLU HA H 1 4.049 0.0 . 1 . . . . 643 GLU HA . 16293 2 214 . 1 1 31 31 GLU HB2 H 1 2.185 0.0 . 2 . . . . 643 GLU HB2 . 16293 2 215 . 1 1 31 31 GLU HB3 H 1 1.735 0.0 . 2 . . . . 643 GLU HB3 . 16293 2 216 . 1 1 31 31 GLU HG2 H 1 2.803 0.0 . 2 . . . . 643 GLU HG2 . 16293 2 217 . 1 1 31 31 GLU HG3 H 1 2.493 0.0 . 2 . . . . 643 GLU HG3 . 16293 2 218 . 1 1 31 31 GLU N N 15 115.503 0.0 . 1 . . . . 643 GLU N . 16293 2 219 . 1 1 32 32 LEU H H 1 7.21 0.0 . 1 . . . . 644 LEU H . 16293 2 220 . 1 1 32 32 LEU HA H 1 3.144 0.0 . 1 . . . . 644 LEU HA . 16293 2 221 . 1 1 32 32 LEU HB2 H 1 1.132 0.0 . 2 . . . . 644 LEU HB2 . 16293 2 222 . 1 1 32 32 LEU HB3 H 1 0.919 0.0 . 2 . . . . 644 LEU HB3 . 16293 2 223 . 1 1 32 32 LEU HD11 H 1 0.471 0.0 . 2 . . . . 644 LEU HD1 . 16293 2 224 . 1 1 32 32 LEU HD12 H 1 0.471 0.0 . 2 . . . . 644 LEU HD1 . 16293 2 225 . 1 1 32 32 LEU HD13 H 1 0.471 0.0 . 2 . . . . 644 LEU HD1 . 16293 2 226 . 1 1 32 32 LEU HD21 H 1 0.282 0.0 . 2 . . . . 644 LEU HD2 . 16293 2 227 . 1 1 32 32 LEU HD22 H 1 0.282 0.0 . 2 . . . . 644 LEU HD2 . 16293 2 228 . 1 1 32 32 LEU HD23 H 1 0.282 0.0 . 2 . . . . 644 LEU HD2 . 16293 2 229 . 1 1 32 32 LEU HG H 1 0.936 0.0 . 1 . . . . 644 LEU HG . 16293 2 230 . 1 1 32 32 LEU N N 15 121.21 0.0 . 1 . . . . 644 LEU N . 16293 2 231 . 1 1 33 33 HIS H H 1 8.465 0.0 . 1 . . . . 645 HIS H . 16293 2 232 . 1 1 33 33 HIS HA H 1 4.011 0.0 . 1 . . . . 645 HIS HA . 16293 2 233 . 1 1 33 33 HIS HB2 H 1 3.141 0.0 . 2 . . . . 645 HIS HB2 . 16293 2 234 . 1 1 33 33 HIS HB3 H 1 2.964 0.0 . 2 . . . . 645 HIS HB3 . 16293 2 235 . 1 1 33 33 HIS HD2 H 1 7.154 0.0 . 1 . . . . 645 HIS HD2 . 16293 2 236 . 1 1 33 33 HIS N N 15 114.28 0.0 . 1 . . . . 645 HIS N . 16293 2 237 . 1 1 34 34 LYS H H 1 7.426 0.0 . 1 . . . . 646 LYS H . 16293 2 238 . 1 1 34 34 LYS HA H 1 3.808 0.0 . 1 . . . . 646 LYS HA . 16293 2 239 . 1 1 34 34 LYS HB2 H 1 1.721 0.0 . 2 . . . . 646 LYS HB2 . 16293 2 240 . 1 1 34 34 LYS HB3 H 1 1.504 0.0 . 2 . . . . 646 LYS HB3 . 16293 2 241 . 1 1 34 34 LYS HD2 H 1 1.439 0.0 . 2 . . . . 646 LYS HD2 . 16293 2 242 . 1 1 34 34 LYS HG2 H 1 0.986 0.0 . 2 . . . . 646 LYS HG2 . 16293 2 243 . 1 1 34 34 LYS HG3 H 1 0.267 0.0 . 2 . . . . 646 LYS HG3 . 16293 2 244 . 1 1 34 34 LYS N N 15 117.541 0.0 . 1 . . . . 646 LYS N . 16293 2 245 . 1 1 35 35 ILE H H 1 7.152 0.0 . 1 . . . . 647 ILE H . 16293 2 246 . 1 1 35 35 ILE HA H 1 4.159 0.0 . 1 . . . . 647 ILE HA . 16293 2 247 . 1 1 35 35 ILE HB H 1 1.94 0.0 . 1 . . . . 647 ILE HB . 16293 2 248 . 1 1 35 35 ILE HD11 H 1 0.341 0.0 . 1 . . . . 647 ILE HD1 . 16293 2 249 . 1 1 35 35 ILE HD12 H 1 0.341 0.0 . 1 . . . . 647 ILE HD1 . 16293 2 250 . 1 1 35 35 ILE HD13 H 1 0.341 0.0 . 1 . . . . 647 ILE HD1 . 16293 2 251 . 1 1 35 35 ILE HG21 H 1 0.522 0.0 . 1 . . . . 647 ILE HG2 . 16293 2 252 . 1 1 35 35 ILE HG22 H 1 0.522 0.0 . 1 . . . . 647 ILE HG2 . 16293 2 253 . 1 1 35 35 ILE HG23 H 1 0.522 0.0 . 1 . . . . 647 ILE HG2 . 16293 2 254 . 1 1 35 35 ILE N N 15 132.013 0.0 . 1 . . . . 647 ILE N . 16293 2 255 . 1 1 36 36 VAL H H 1 6.893 0.0 . 1 . . . . 648 VAL H . 16293 2 256 . 1 1 36 36 VAL HA H 1 2.232 0.0 . 1 . . . . 648 VAL HA . 16293 2 257 . 1 1 36 36 VAL HB H 1 1.335 0.0 . 1 . . . . 648 VAL HB . 16293 2 258 . 1 1 36 36 VAL HG11 H 1 0.303 0.0 . 2 . . . . 648 VAL HG1 . 16293 2 259 . 1 1 36 36 VAL HG12 H 1 0.303 0.0 . 2 . . . . 648 VAL HG1 . 16293 2 260 . 1 1 36 36 VAL HG13 H 1 0.303 0.0 . 2 . . . . 648 VAL HG1 . 16293 2 261 . 1 1 36 36 VAL HG21 H 1 0.171 0.0 . 2 . . . . 648 VAL HG2 . 16293 2 262 . 1 1 36 36 VAL HG22 H 1 0.171 0.0 . 2 . . . . 648 VAL HG2 . 16293 2 263 . 1 1 36 36 VAL HG23 H 1 0.171 0.0 . 2 . . . . 648 VAL HG2 . 16293 2 264 . 1 1 36 36 VAL N N 15 118.886 0.0 . 1 . . . . 648 VAL N . 16293 2 265 . 1 1 37 37 PHE H H 1 7.244 0.0 . 1 . . . . 649 PHE H . 16293 2 266 . 1 1 37 37 PHE HA H 1 4.629 0.0 . 1 . . . . 649 PHE HA . 16293 2 267 . 1 1 37 37 PHE HB2 H 1 3.126 0.0 . 2 . . . . 649 PHE HB2 . 16293 2 268 . 1 1 37 37 PHE HB3 H 1 2.849 0.0 . 2 . . . . 649 PHE HB3 . 16293 2 269 . 1 1 37 37 PHE HD1 H 1 7.076 0.0 . 3 . . . . 649 PHE QD . 16293 2 270 . 1 1 37 37 PHE HD2 H 1 7.076 0.0 . 3 . . . . 649 PHE QD . 16293 2 271 . 1 1 37 37 PHE N N 15 115.707 0.0 . 1 . . . . 649 PHE N . 16293 2 272 . 1 1 38 38 ASP H H 1 7.523 0.0 . 1 . . . . 650 ASP H . 16293 2 273 . 1 1 38 38 ASP HA H 1 4.699 0.0 . 1 . . . . 650 ASP HA . 16293 2 274 . 1 1 38 38 ASP HB2 H 1 3.314 0.0 . 2 . . . . 650 ASP HB2 . 16293 2 275 . 1 1 38 38 ASP HB3 H 1 2.058 0.0 . 2 . . . . 650 ASP HB3 . 16293 2 276 . 1 1 38 38 ASP N N 15 127.325 0.0 . 1 . . . . 650 ASP N . 16293 2 277 . 1 1 39 39 PRO HA H 1 4.268 0.0 . 1 . . . . 651 PRO HA . 16293 2 278 . 1 1 39 39 PRO HB2 H 1 2.42 0.0 . 2 . . . . 651 PRO HB2 . 16293 2 279 . 1 1 39 39 PRO HB3 H 1 1.919 0.0 . 2 . . . . 651 PRO HB3 . 16293 2 280 . 1 1 39 39 PRO HD2 H 1 3.94 0.0 . 2 . . . . 651 PRO HD2 . 16293 2 281 . 1 1 39 39 PRO HD3 H 1 3.737 0.0 . 2 . . . . 651 PRO HD3 . 16293 2 282 . 1 1 39 39 PRO HG2 H 1 2.052 0.0 . 2 . . . . 651 PRO HG2 . 16293 2 283 . 1 1 40 40 ARG H H 1 9.45 0.0 . 1 . . . . 652 ARG H . 16293 2 284 . 1 1 40 40 ARG HA H 1 3.979 0.0 . 1 . . . . 652 ARG HA . 16293 2 285 . 1 1 40 40 ARG HB2 H 1 2.192 0.0 . 2 . . . . 652 ARG HB2 . 16293 2 286 . 1 1 40 40 ARG HB3 H 1 1.522 0.0 . 2 . . . . 652 ARG HB3 . 16293 2 287 . 1 1 40 40 ARG HD2 H 1 3.357 0.0 . 2 . . . . 652 ARG HD2 . 16293 2 288 . 1 1 40 40 ARG HD3 H 1 3.003 0.0 . 2 . . . . 652 ARG HD3 . 16293 2 289 . 1 1 40 40 ARG HE H 1 7.881 0.0 . 1 . . . . 652 ARG HE . 16293 2 290 . 1 1 40 40 ARG HG2 H 1 1.756 0.0 . 2 . . . . 652 ARG HG2 . 16293 2 291 . 1 1 40 40 ARG HG3 H 1 1.691 0.0 . 2 . . . . 652 ARG HG3 . 16293 2 292 . 1 1 40 40 ARG N N 15 118.153 0.0 . 1 . . . . 652 ARG N . 16293 2 293 . 1 1 40 40 ARG NE N 15 110.203 0.0 . 1 . . . . 652 ARG NE . 16293 2 294 . 1 1 41 41 TYR H H 1 8.314 0.0 . 1 . . . . 653 TYR H . 16293 2 295 . 1 1 41 41 TYR HA H 1 4.158 0.0 . 1 . . . . 653 TYR HA . 16293 2 296 . 1 1 41 41 TYR HB2 H 1 3.351 0.0 . 2 . . . . 653 TYR HB2 . 16293 2 297 . 1 1 41 41 TYR HB3 H 1 3.011 0.0 . 2 . . . . 653 TYR HB3 . 16293 2 298 . 1 1 41 41 TYR HD1 H 1 6.763 0.0 . 3 . . . . 653 TYR QD . 16293 2 299 . 1 1 41 41 TYR HD2 H 1 6.763 0.0 . 3 . . . . 653 TYR QD . 16293 2 300 . 1 1 41 41 TYR N N 15 121.006 0.0 . 1 . . . . 653 TYR N . 16293 2 301 . 1 1 42 42 LEU H H 1 6.988 0.0 . 1 . . . . 654 LEU H . 16293 2 302 . 1 1 42 42 LEU HA H 1 4.092 0.0 . 1 . . . . 654 LEU HA . 16293 2 303 . 1 1 42 42 LEU HB2 H 1 1.913 0.0 . 2 . . . . 654 LEU HB2 . 16293 2 304 . 1 1 42 42 LEU HD11 H 1 0.974 0.0 . 2 . . . . 654 LEU HD1 . 16293 2 305 . 1 1 42 42 LEU HD12 H 1 0.974 0.0 . 2 . . . . 654 LEU HD1 . 16293 2 306 . 1 1 42 42 LEU HD13 H 1 0.974 0.0 . 2 . . . . 654 LEU HD1 . 16293 2 307 . 1 1 42 42 LEU HD21 H 1 0.93 0.0 . 2 . . . . 654 LEU HD2 . 16293 2 308 . 1 1 42 42 LEU HD22 H 1 0.93 0.0 . 2 . . . . 654 LEU HD2 . 16293 2 309 . 1 1 42 42 LEU HD23 H 1 0.93 0.0 . 2 . . . . 654 LEU HD2 . 16293 2 310 . 1 1 42 42 LEU HG H 1 1.745 0.0 . 1 . . . . 654 LEU HG . 16293 2 311 . 1 1 42 42 LEU N N 15 111.63 0.0 . 1 . . . . 654 LEU N . 16293 2 312 . 1 1 43 43 LEU H H 1 7.483 0.0 . 1 . . . . 655 LEU H . 16293 2 313 . 1 1 43 43 LEU HA H 1 4.044 0.0 . 1 . . . . 655 LEU HA . 16293 2 314 . 1 1 43 43 LEU HB2 H 1 1.968 0.0 . 2 . . . . 655 LEU HB2 . 16293 2 315 . 1 1 43 43 LEU HB3 H 1 1.386 0.0 . 2 . . . . 655 LEU HB3 . 16293 2 316 . 1 1 43 43 LEU HD11 H 1 1.01 0.0 . 2 . . . . 655 LEU HD1 . 16293 2 317 . 1 1 43 43 LEU HD12 H 1 1.01 0.0 . 2 . . . . 655 LEU HD1 . 16293 2 318 . 1 1 43 43 LEU HD13 H 1 1.01 0.0 . 2 . . . . 655 LEU HD1 . 16293 2 319 . 1 1 43 43 LEU HD21 H 1 0.852 0.0 . 2 . . . . 655 LEU HD2 . 16293 2 320 . 1 1 43 43 LEU HD22 H 1 0.852 0.0 . 2 . . . . 655 LEU HD2 . 16293 2 321 . 1 1 43 43 LEU HD23 H 1 0.852 0.0 . 2 . . . . 655 LEU HD2 . 16293 2 322 . 1 1 43 43 LEU HG H 1 1.799 0.0 . 1 . . . . 655 LEU HG . 16293 2 323 . 1 1 43 43 LEU N N 15 116.726 0.0 . 1 . . . . 655 LEU N . 16293 2 324 . 1 1 44 44 LEU H H 1 6.517 0.0 . 1 . . . . 656 LEU H . 16293 2 325 . 1 1 44 44 LEU HA H 1 4.569 0.0 . 1 . . . . 656 LEU HA . 16293 2 326 . 1 1 44 44 LEU HB2 H 1 1.392 0.0 . 2 . . . . 656 LEU HB2 . 16293 2 327 . 1 1 44 44 LEU HB3 H 1 0.777 0.0 . 2 . . . . 656 LEU HB3 . 16293 2 328 . 1 1 44 44 LEU HD11 H 1 0.543 0.0 . 2 . . . . 656 LEU HD1 . 16293 2 329 . 1 1 44 44 LEU HD12 H 1 0.543 0.0 . 2 . . . . 656 LEU HD1 . 16293 2 330 . 1 1 44 44 LEU HD13 H 1 0.543 0.0 . 2 . . . . 656 LEU HD1 . 16293 2 331 . 1 1 44 44 LEU HD21 H 1 0.014 0.0 . 2 . . . . 656 LEU HD2 . 16293 2 332 . 1 1 44 44 LEU HD22 H 1 0.014 0.0 . 2 . . . . 656 LEU HD2 . 16293 2 333 . 1 1 44 44 LEU HD23 H 1 0.014 0.0 . 2 . . . . 656 LEU HD2 . 16293 2 334 . 1 1 44 44 LEU HG H 1 1.098 0.0 . 1 . . . . 656 LEU HG . 16293 2 335 . 1 1 44 44 LEU N N 15 114.076 0.0 . 1 . . . . 656 LEU N . 16293 2 336 . 1 1 45 45 ASN H H 1 8.807 0.0 . 1 . . . . 657 ASN H . 16293 2 337 . 1 1 45 45 ASN HA H 1 4.677 0.0 . 1 . . . . 657 ASN HA . 16293 2 338 . 1 1 45 45 ASN HB2 H 1 3.087 0.0 . 2 . . . . 657 ASN HB2 . 16293 2 339 . 1 1 45 45 ASN HB3 H 1 2.676 0.0 . 2 . . . . 657 ASN HB3 . 16293 2 340 . 1 1 45 45 ASN HD21 H 1 7.348 0.0 . 2 . . . . 657 ASN HD21 . 16293 2 341 . 1 1 45 45 ASN HD22 H 1 6.66 0.0 . 2 . . . . 657 ASN HD22 . 16293 2 342 . 1 1 45 45 ASN N N 15 119.783 0.0 . 1 . . . . 657 ASN N . 16293 2 343 . 1 1 45 45 ASN ND2 N 15 111.834 0.0 . 1 . . . . 657 ASN ND2 . 16293 2 344 . 1 1 46 46 PRO HB2 H 1 2.288 0.0 . 2 . . . . 658 PRO HB2 . 16293 2 345 . 1 1 46 46 PRO HD2 H 1 3.71 0.0 . 2 . . . . 658 PRO HD2 . 16293 2 346 . 1 1 46 46 PRO HG3 H 1 1.858 0.0 . 2 . . . . 658 PRO HG3 . 16293 2 347 . 1 1 47 47 LYS H H 1 7.926 0.0 . 1 . . . . 659 LYS H . 16293 2 348 . 1 1 47 47 LYS HA H 1 3.801 0.0 . 1 . . . . 659 LYS HA . 16293 2 349 . 1 1 47 47 LYS HB2 H 1 1.726 0.0 . 2 . . . . 659 LYS HB2 . 16293 2 350 . 1 1 47 47 LYS HD2 H 1 1.547 0.0 . 2 . . . . 659 LYS HD2 . 16293 2 351 . 1 1 47 47 LYS HG2 H 1 1.362 0.0 . 2 . . . . 659 LYS HG2 . 16293 2 352 . 1 1 47 47 LYS HG3 H 1 1.198 0.0 . 2 . . . . 659 LYS HG3 . 16293 2 353 . 1 1 47 47 LYS N N 15 118.599 0.0 . 1 . . . . 659 LYS N . 16293 2 354 . 1 1 48 48 GLU H H 1 7.923 0.0 . 1 . . . . 660 GLU H . 16293 2 355 . 1 1 48 48 GLU HA H 1 3.777 0.0 . 1 . . . . 660 GLU HA . 16293 2 356 . 1 1 48 48 GLU HB2 H 1 2.163 0.0 . 2 . . . . 660 GLU HB2 . 16293 2 357 . 1 1 48 48 GLU HB3 H 1 1.475 0.0 . 2 . . . . 660 GLU HB3 . 16293 2 358 . 1 1 48 48 GLU HG2 H 1 2.189 0.0 . 2 . . . . 660 GLU HG2 . 16293 2 359 . 1 1 48 48 GLU HG3 H 1 2.08 0.0 . 2 . . . . 660 GLU HG3 . 16293 2 360 . 1 1 48 48 GLU N N 15 121.21 0.0 . 1 . . . . 660 GLU N . 16293 2 361 . 1 1 49 49 ARG H H 1 8.416 0.0 . 1 . . . . 661 ARG H . 16293 2 362 . 1 1 49 49 ARG HA H 1 3.778 0.0 . 1 . . . . 661 ARG HA . 16293 2 363 . 1 1 49 49 ARG HB2 H 1 1.535 0.0 . 2 . . . . 661 ARG HB2 . 16293 2 364 . 1 1 49 49 ARG HB3 H 1 1.416 0.0 . 2 . . . . 661 ARG HB3 . 16293 2 365 . 1 1 49 49 ARG HD2 H 1 2.786 0.0 . 2 . . . . 661 ARG HD2 . 16293 2 366 . 1 1 49 49 ARG HE H 1 6.008 0.0 . 1 . . . . 661 ARG HE . 16293 2 367 . 1 1 49 49 ARG HG2 H 1 0.866 0.0 . 2 . . . . 661 ARG HG2 . 16293 2 368 . 1 1 49 49 ARG N N 15 117.337 0.0 . 1 . . . . 661 ARG N . 16293 2 369 . 1 1 49 49 ARG NE N 15 111.834 0.0 . 1 . . . . 661 ARG NE . 16293 2 370 . 1 1 50 50 LYS H H 1 6.76 0.0 . 1 . . . . 662 LYS H . 16293 2 371 . 1 1 50 50 LYS HA H 1 3.431 0.0 . 1 . . . . 662 LYS HA . 16293 2 372 . 1 1 50 50 LYS HB2 H 1 1.615 0.0 . 2 . . . . 662 LYS HB2 . 16293 2 373 . 1 1 50 50 LYS HB3 H 1 1.278 0.0 . 2 . . . . 662 LYS HB3 . 16293 2 374 . 1 1 50 50 LYS HE2 H 1 2.76 0.0 . 2 . . . . 662 LYS HE2 . 16293 2 375 . 1 1 50 50 LYS HG2 H 1 1.036 0.0 . 2 . . . . 662 LYS HG2 . 16293 2 376 . 1 1 50 50 LYS HG3 H 1 0.895 0.0 . 2 . . . . 662 LYS HG3 . 16293 2 377 . 1 1 50 50 LYS N N 15 116.592 0.0 . 1 . . . . 662 LYS N . 16293 2 378 . 1 1 51 51 GLN H H 1 7.503 0.0 . 1 . . . . 663 GLN H . 16293 2 379 . 1 1 51 51 GLN HA H 1 4.01 0.0 . 1 . . . . 663 GLN HA . 16293 2 380 . 1 1 51 51 GLN HB2 H 1 1.99 0.0 . 2 . . . . 663 GLN HB2 . 16293 2 381 . 1 1 51 51 GLN HE21 H 1 7.306 0.0 . 2 . . . . 663 GLN HE21 . 16293 2 382 . 1 1 51 51 GLN HE22 H 1 6.675 0.0 . 2 . . . . 663 GLN HE22 . 16293 2 383 . 1 1 51 51 GLN HG2 H 1 2.407 0.0 . 2 . . . . 663 GLN HG2 . 16293 2 384 . 1 1 51 51 GLN HG3 H 1 2.177 0.0 . 2 . . . . 663 GLN HG3 . 16293 2 385 . 1 1 51 51 GLN N N 15 118.56 0.0 . 1 . . . . 663 GLN N . 16293 2 386 . 1 1 51 51 GLN NE2 N 15 110.611 0.0 . 1 . . . . 663 GLN NE2 . 16293 2 387 . 1 1 52 52 VAL H H 1 8.035 0.0 . 1 . . . . 664 VAL H . 16293 2 388 . 1 1 52 52 VAL HA H 1 3.653 0.0 . 1 . . . . 664 VAL HA . 16293 2 389 . 1 1 52 52 VAL HB H 1 1.914 0.0 . 1 . . . . 664 VAL HB . 16293 2 390 . 1 1 52 52 VAL HG11 H 1 1.123 0.0 . 2 . . . . 664 VAL HG1 . 16293 2 391 . 1 1 52 52 VAL HG12 H 1 1.123 0.0 . 2 . . . . 664 VAL HG1 . 16293 2 392 . 1 1 52 52 VAL HG13 H 1 1.123 0.0 . 2 . . . . 664 VAL HG1 . 16293 2 393 . 1 1 52 52 VAL HG21 H 1 0.964 0.0 . 2 . . . . 664 VAL HG2 . 16293 2 394 . 1 1 52 52 VAL HG22 H 1 0.964 0.0 . 2 . . . . 664 VAL HG2 . 16293 2 395 . 1 1 52 52 VAL HG23 H 1 0.964 0.0 . 2 . . . . 664 VAL HG2 . 16293 2 396 . 1 1 52 52 VAL N N 15 119.172 0.0 . 1 . . . . 664 VAL N . 16293 2 397 . 1 1 53 53 PHE H H 1 8.74 0.0 . 1 . . . . 665 PHE H . 16293 2 398 . 1 1 53 53 PHE HA H 1 4.217 0.0 . 1 . . . . 665 PHE HA . 16293 2 399 . 1 1 53 53 PHE HB2 H 1 3.189 0.0 . 2 . . . . 665 PHE HB2 . 16293 2 400 . 1 1 53 53 PHE HD1 H 1 7.326 0.0 . 3 . . . . 665 PHE HD1 . 16293 2 401 . 1 1 53 53 PHE HE1 H 1 7.049 0.0 . 3 . . . . 665 PHE QE . 16293 2 402 . 1 1 53 53 PHE HE2 H 1 7.049 0.0 . 3 . . . . 665 PHE QE . 16293 2 403 . 1 1 53 53 PHE N N 15 122.433 0.0 . 1 . . . . 665 PHE N . 16293 2 404 . 1 1 54 54 ASP H H 1 9.001 0.0 . 1 . . . . 666 ASP H . 16293 2 405 . 1 1 54 54 ASP HA H 1 4.262 0.0 . 1 . . . . 666 ASP HA . 16293 2 406 . 1 1 54 54 ASP HB2 H 1 2.799 0.0 . 2 . . . . 666 ASP HB2 . 16293 2 407 . 1 1 54 54 ASP HB3 H 1 2.517 0.0 . 2 . . . . 666 ASP HB3 . 16293 2 408 . 1 1 54 54 ASP N N 15 119.172 0.0 . 1 . . . . 666 ASP N . 16293 2 409 . 1 1 55 55 GLN H H 1 7.616 0.0 . 1 . . . . 667 GLN H . 16293 2 410 . 1 1 55 55 GLN HA H 1 4.026 0.0 . 1 . . . . 667 GLN HA . 16293 2 411 . 1 1 55 55 GLN HB2 H 1 2.15 0.0 . 2 . . . . 667 GLN HB2 . 16293 2 412 . 1 1 55 55 GLN HE21 H 1 7.42 0.0 . 2 . . . . 667 GLN HE21 . 16293 2 413 . 1 1 55 55 GLN HE22 H 1 6.861 0.0 . 2 . . . . 667 GLN HE22 . 16293 2 414 . 1 1 55 55 GLN HG2 H 1 2.497 0.0 . 2 . . . . 667 GLN HG2 . 16293 2 415 . 1 1 55 55 GLN HG3 H 1 2.38 0.0 . 2 . . . . 667 GLN HG3 . 16293 2 416 . 1 1 55 55 GLN N N 15 119.769 0.0 . 1 . . . . 667 GLN N . 16293 2 417 . 1 1 55 55 GLN NE2 N 15 112.242 0.0 . 1 . . . . 667 GLN NE2 . 16293 2 418 . 1 1 56 56 TYR H H 1 8.52 0.0 . 1 . . . . 668 TYR H . 16293 2 419 . 1 1 56 56 TYR HA H 1 4.105 0.0 . 1 . . . . 668 TYR HA . 16293 2 420 . 1 1 56 56 TYR HB2 H 1 3.275 0.0 . 2 . . . . 668 TYR HB2 . 16293 2 421 . 1 1 56 56 TYR HB3 H 1 2.871 0.0 . 2 . . . . 668 TYR HB3 . 16293 2 422 . 1 1 56 56 TYR HD1 H 1 6.745 0.0 . 3 . . . . 668 TYR QD . 16293 2 423 . 1 1 56 56 TYR HD2 H 1 6.745 0.0 . 3 . . . . 668 TYR QD . 16293 2 424 . 1 1 56 56 TYR HE1 H 1 6.405 0.0 . 3 . . . . 668 TYR QE . 16293 2 425 . 1 1 56 56 TYR HE2 H 1 6.405 0.0 . 3 . . . . 668 TYR QE . 16293 2 426 . 1 1 56 56 TYR N N 15 123.86 0.0 . 1 . . . . 668 TYR N . 16293 2 427 . 1 1 57 57 VAL H H 1 8.517 0.0 . 1 . . . . 669 VAL H . 16293 2 428 . 1 1 57 57 VAL HA H 1 3.085 0.0 . 1 . . . . 669 VAL HA . 16293 2 429 . 1 1 57 57 VAL HB H 1 1.877 0.0 . 1 . . . . 669 VAL HB . 16293 2 430 . 1 1 57 57 VAL HG11 H 1 0.647 0.0 . 2 . . . . 669 VAL HG1 . 16293 2 431 . 1 1 57 57 VAL HG12 H 1 0.647 0.0 . 2 . . . . 669 VAL HG1 . 16293 2 432 . 1 1 57 57 VAL HG13 H 1 0.647 0.0 . 2 . . . . 669 VAL HG1 . 16293 2 433 . 1 1 57 57 VAL HG21 H 1 0.511 0.0 . 2 . . . . 669 VAL HG2 . 16293 2 434 . 1 1 57 57 VAL HG22 H 1 0.511 0.0 . 2 . . . . 669 VAL HG2 . 16293 2 435 . 1 1 57 57 VAL HG23 H 1 0.511 0.0 . 2 . . . . 669 VAL HG2 . 16293 2 436 . 1 1 57 57 VAL N N 15 118.153 0.0 . 1 . . . . 669 VAL N . 16293 2 437 . 1 1 58 58 LYS H H 1 7.393 0.0 . 1 . . . . 670 LYS H . 16293 2 438 . 1 1 58 58 LYS HA H 1 4.022 0.0 . 1 . . . . 670 LYS HA . 16293 2 439 . 1 1 58 58 LYS HB2 H 1 1.822 0.0 . 2 . . . . 670 LYS HB2 . 16293 2 440 . 1 1 58 58 LYS HD2 H 1 1.567 0.0 . 2 . . . . 670 LYS HD2 . 16293 2 441 . 1 1 58 58 LYS HE2 H 1 2.882 0.0 . 2 . . . . 670 LYS HE2 . 16293 2 442 . 1 1 58 58 LYS HG2 H 1 1.444 0.0 . 2 . . . . 670 LYS HG2 . 16293 2 443 . 1 1 58 58 LYS HG3 H 1 1.315 0.0 . 2 . . . . 670 LYS HG3 . 16293 2 444 . 1 1 58 58 LYS N N 15 118.968 0.0 . 1 . . . . 670 LYS N . 16293 2 445 . 1 1 59 59 THR H H 1 7.971 0.0 . 1 . . . . 671 THR H . 16293 2 446 . 1 1 59 59 THR HA H 1 3.965 0.0 . 1 . . . . 671 THR HA . 16293 2 447 . 1 1 59 59 THR HB H 1 4.121 0.0 . 1 . . . . 671 THR HB . 16293 2 448 . 1 1 59 59 THR HG21 H 1 1.156 0.0 . 1 . . . . 671 THR HG2 . 16293 2 449 . 1 1 59 59 THR HG22 H 1 1.156 0.0 . 1 . . . . 671 THR HG2 . 16293 2 450 . 1 1 59 59 THR HG23 H 1 1.156 0.0 . 1 . . . . 671 THR HG2 . 16293 2 451 . 1 1 59 59 THR N N 15 113.668 0.0 . 1 . . . . 671 THR N . 16293 2 452 . 1 1 60 60 ARG H H 1 8.248 0.0 . 1 . . . . 672 ARG H . 16293 2 453 . 1 1 60 60 ARG HA H 1 3.886 0.0 . 1 . . . . 672 ARG HA . 16293 2 454 . 1 1 60 60 ARG HB2 H 1 1.361 0.0 . 2 . . . . 672 ARG HB2 . 16293 2 455 . 1 1 60 60 ARG HB3 H 1 1.189 0.0 . 2 . . . . 672 ARG HB3 . 16293 2 456 . 1 1 60 60 ARG HD2 H 1 2.961 0.0 . 2 . . . . 672 ARG HD2 . 16293 2 457 . 1 1 60 60 ARG HD3 H 1 2.794 0.0 . 2 . . . . 672 ARG HD3 . 16293 2 458 . 1 1 60 60 ARG HE H 1 7.127 0.0 . 1 . . . . 672 ARG HE . 16293 2 459 . 1 1 60 60 ARG HG2 H 1 1.164 0.0 . 2 . . . . 672 ARG HG2 . 16293 2 460 . 1 1 60 60 ARG HG3 H 1 1.007 0.0 . 2 . . . . 672 ARG HG3 . 16293 2 461 . 1 1 60 60 ARG N N 15 122.229 0.0 . 1 . . . . 672 ARG N . 16293 2 462 . 1 1 60 60 ARG NE N 15 110.815 0.0 . 1 . . . . 672 ARG NE . 16293 2 463 . 1 1 61 61 ALA H H 1 7.94 0.0 . 1 . . . . 673 ALA H . 16293 2 464 . 1 1 61 61 ALA HA H 1 3.826 0.0 . 1 . . . . 673 ALA HA . 16293 2 465 . 1 1 61 61 ALA HB1 H 1 1.269 0.0 . 1 . . . . 673 ALA HB . 16293 2 466 . 1 1 61 61 ALA HB2 H 1 1.269 0.0 . 1 . . . . 673 ALA HB . 16293 2 467 . 1 1 61 61 ALA HB3 H 1 1.269 0.0 . 1 . . . . 673 ALA HB . 16293 2 468 . 1 1 61 61 ALA N N 15 121.414 0.0 . 1 . . . . 673 ALA N . 16293 2 469 . 1 1 62 62 GLU H H 1 7.61 0.0 . 1 . . . . 674 GLU H . 16293 2 470 . 1 1 62 62 GLU HA H 1 4.034 0.0 . 1 . . . . 674 GLU HA . 16293 2 471 . 1 1 62 62 GLU HB2 H 1 2.081 0.0 . 2 . . . . 674 GLU HB2 . 16293 2 472 . 1 1 62 62 GLU HB3 H 1 1.993 0.0 . 2 . . . . 674 GLU HB3 . 16293 2 473 . 1 1 62 62 GLU HG2 H 1 2.321 0.0 . 2 . . . . 674 GLU HG2 . 16293 2 474 . 1 1 62 62 GLU HG3 H 1 2.213 0.0 . 2 . . . . 674 GLU HG3 . 16293 2 475 . 1 1 62 62 GLU N N 15 116.93 0.0 . 1 . . . . 674 GLU N . 16293 2 476 . 1 1 63 63 GLU H H 1 7.844 0.0 . 1 . . . . 675 GLU H . 16293 2 477 . 1 1 63 63 GLU HA H 1 3.996 0.0 . 1 . . . . 675 GLU HA . 16293 2 478 . 1 1 63 63 GLU HB2 H 1 2.028 0.0 . 2 . . . . 675 GLU HB2 . 16293 2 479 . 1 1 63 63 GLU HG2 H 1 2.335 0.0 . 2 . . . . 675 GLU HG2 . 16293 2 480 . 1 1 63 63 GLU HG3 H 1 2.193 0.0 . 2 . . . . 675 GLU HG3 . 16293 2 481 . 1 1 63 63 GLU N N 15 119.783 0.0 . 1 . . . . 675 GLU N . 16293 2 482 . 1 1 64 64 GLU H H 1 8.262 0.0 . 1 . . . . 676 GLU H . 16293 2 483 . 1 1 64 64 GLU HA H 1 4.026 0.0 . 1 . . . . 676 GLU HA . 16293 2 484 . 1 1 64 64 GLU HB2 H 1 2.188 0.0 . 2 . . . . 676 GLU HB2 . 16293 2 485 . 1 1 64 64 GLU HB3 H 1 2.044 0.0 . 2 . . . . 676 GLU HB3 . 16293 2 486 . 1 1 64 64 GLU HG2 H 1 2.334 0.0 . 2 . . . . 676 GLU HG2 . 16293 2 487 . 1 1 64 64 GLU HG3 H 1 2.197 0.0 . 2 . . . . 676 GLU HG3 . 16293 2 488 . 1 1 64 64 GLU N N 15 119.579 0.0 . 1 . . . . 676 GLU N . 16293 2 489 . 1 1 65 65 ARG H H 1 7.902 0.0 . 1 . . . . 677 ARG H . 16293 2 490 . 1 1 65 65 ARG HA H 1 4.104 0.0 . 1 . . . . 677 ARG HA . 16293 2 491 . 1 1 65 65 ARG HB2 H 1 1.949 0.0 . 2 . . . . 677 ARG HB2 . 16293 2 492 . 1 1 65 65 ARG HB3 H 1 1.861 0.0 . 2 . . . . 677 ARG HB3 . 16293 2 493 . 1 1 65 65 ARG HD2 H 1 3.144 0.0 . 2 . . . . 677 ARG HD2 . 16293 2 494 . 1 1 65 65 ARG HG2 H 1 1.725 0.0 . 2 . . . . 677 ARG HG2 . 16293 2 495 . 1 1 65 65 ARG HG3 H 1 1.583 0.0 . 2 . . . . 677 ARG HG3 . 16293 2 496 . 1 1 65 65 ARG N N 15 118.968 0.0 . 1 . . . . 677 ARG N . 16293 2 497 . 1 1 66 66 ARG H H 1 7.801 0.0 . 1 . . . . 678 ARG H . 16293 2 498 . 1 1 66 66 ARG HA H 1 4.099 0.0 . 1 . . . . 678 ARG HA . 16293 2 499 . 1 1 66 66 ARG HB2 H 1 1.825 0.0 . 2 . . . . 678 ARG HB2 . 16293 2 500 . 1 1 66 66 ARG HD2 H 1 3.137 0.0 . 2 . . . . 678 ARG HD2 . 16293 2 501 . 1 1 66 66 ARG HG2 H 1 1.685 0.0 . 2 . . . . 678 ARG HG2 . 16293 2 502 . 1 1 66 66 ARG HG3 H 1 1.563 0.0 . 1 . . . . 678 ARG HG3 . 16293 2 503 . 1 1 66 66 ARG N N 15 119.783 0.0 . 1 . . . . 678 ARG N . 16293 2 504 . 1 1 67 67 GLU H H 1 8.097 0.0 . 1 . . . . 679 GLU H . 16293 2 505 . 1 1 67 67 GLU HA H 1 4.118 0.0 . 1 . . . . 679 GLU HA . 16293 2 506 . 1 1 67 67 GLU HB2 H 1 1.977 0.0 . 2 . . . . 679 GLU HB2 . 16293 2 507 . 1 1 67 67 GLU HG2 H 1 2.314 0.0 . 2 . . . . 679 GLU HG2 . 16293 2 508 . 1 1 67 67 GLU HG3 H 1 2.207 0.0 . 2 . . . . 679 GLU HG3 . 16293 2 509 . 1 1 67 67 GLU N N 15 120.395 0.0 . 1 . . . . 679 GLU N . 16293 2 510 . 1 1 68 68 LYS H H 1 8.06 0.0 . 1 . . . . 680 LYS H . 16293 2 511 . 1 1 68 68 LYS HA H 1 4.181 0.0 . 1 . . . . 680 LYS HA . 16293 2 512 . 1 1 68 68 LYS HB2 H 1 1.777 0.0 . 2 . . . . 680 LYS HB2 . 16293 2 513 . 1 1 68 68 LYS HD2 H 1 1.606 0.0 . 2 . . . . 680 LYS HD2 . 16293 2 514 . 1 1 68 68 LYS HG2 H 1 1.44 0.0 . 2 . . . . 680 LYS HG2 . 16293 2 515 . 1 1 68 68 LYS N N 15 121.21 0.0 . 1 . . . . 680 LYS N . 16293 2 516 . 1 1 69 69 LYS H H 1 8.129 0.0 . 1 . . . . 681 LYS H . 16293 2 517 . 1 1 69 69 LYS HA H 1 4.208 0.0 . 1 . . . . 681 LYS HA . 16293 2 518 . 1 1 69 69 LYS HB2 H 1 1.773 0.0 . 2 . . . . 681 LYS HB2 . 16293 2 519 . 1 1 69 69 LYS HD2 H 1 1.605 0.0 . 2 . . . . 681 LYS HD2 . 16293 2 520 . 1 1 69 69 LYS HG2 H 1 1.386 0.0 . 2 . . . . 681 LYS HG2 . 16293 2 521 . 1 1 69 69 LYS N N 15 121.821 0.0 . 1 . . . . 681 LYS N . 16293 2 522 . 1 1 70 70 ASN H H 1 8.333 0.0 . 1 . . . . 682 ASN H . 16293 2 523 . 1 1 70 70 ASN HA H 1 4.641 0.0 . 1 . . . . 682 ASN HA . 16293 2 524 . 1 1 70 70 ASN HB2 H 1 2.778 0.0 . 2 . . . . 682 ASN HB2 . 16293 2 525 . 1 1 70 70 ASN HB3 H 1 2.693 0.0 . 2 . . . . 682 ASN HB3 . 16293 2 526 . 1 1 70 70 ASN HD21 H 1 7.592 0.0 . 2 . . . . 682 ASN HD21 . 16293 2 527 . 1 1 70 70 ASN HD22 H 1 6.876 0.0 . 2 . . . . 682 ASN HD22 . 16293 2 528 . 1 1 70 70 ASN N N 15 119.783 0.0 . 1 . . . . 682 ASN N . 16293 2 529 . 1 1 70 70 ASN ND2 N 15 113.465 0.0 . 1 . . . . 682 ASN ND2 . 16293 2 530 . 1 1 71 71 LYS H H 1 7.816 0.0 . 1 . . . . 683 LYS H . 16293 2 531 . 1 1 71 71 LYS HA H 1 4.043 0.0 . 1 . . . . 683 LYS HA . 16293 2 532 . 1 1 71 71 LYS HB2 H 1 1.754 0.0 . 2 . . . . 683 LYS HB2 . 16293 2 533 . 1 1 71 71 LYS HB3 H 1 1.638 0.0 . 2 . . . . 683 LYS HB3 . 16293 2 534 . 1 1 71 71 LYS N N 15 126.306 0.0 . 1 . . . . 683 LYS N . 16293 2 stop_ save_